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
1091 1a5e 4086 cing 1-original 7 MR format nomenclature mapping




  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    MET   1          1H        MET   1 126.562  32.411  32.411
    2   2H    MET   1          3H        MET   1 127.153  33.844  33.844
    3   3H    MET   1          2H        MET   1 128.083  33.008  33.008
    4    HA   MET   1           HA       MET   1 126.626  33.574  33.574
    5   1HB   MET   1          2HB       MET   1 127.429  35.678  35.678
    6   2HB   MET   1          1HB       MET   1 126.543  36.163  36.163
    7   1HG   MET   1          2HG       MET   1 128.246  34.912  34.912
    8   2HG   MET   1          1HG       MET   1 129.172  34.659  34.659
    9   1HE   MET   1          3HE       MET   1 127.058  37.039  37.039
   10   2HE   MET   1          2HE       MET   1 128.314  37.712  37.712
   11   3HE   MET   1          1HE       MET   1 127.695  38.658  38.658
   12    H    GLU   2           H        GLU   2 125.229  33.963  33.963
   13    HA   GLU   2           HA       GLU   2 122.595  34.675  34.675
   14   1HB   GLU   2          2HB       GLU   2 124.101  35.640  35.640
   15   2HB   GLU   2          1HB       GLU   2 122.653  34.863  34.863
   16   1HG   GLU   2          2HG       GLU   2 121.248  36.204  36.204
   17   2HG   GLU   2          1HG       GLU   2 122.688  36.970  36.970
   18    HA   PRO   3           HA       PRO   3 121.884  30.347  30.347
   19   1HB   PRO   3          2HB       PRO   3 119.585  30.078  30.078
   20   2HB   PRO   3          1HB       PRO   3 121.203  29.941  29.941
   21   1HG   PRO   3          2HG       PRO   3 119.312  32.238  32.238
   22   2HG   PRO   3          1HG       PRO   3 120.377  31.639  31.639
   23   1HD   PRO   3          2HD       PRO   3 120.955  33.818  33.818
   24   2HD   PRO   3          1HD       PRO   3 122.199  32.775  32.775
   25    H    ALA   4           H        ALA   4 120.300  29.404  29.404
   26    HA   ALA   4           HA       ALA   4 118.515  31.407  31.407
   27   1HB   ALA   4          3HB       ALA   4 120.505  29.956  29.956
   28   2HB   ALA   4          2HB       ALA   4 119.221  28.754  28.754
   29   3HB   ALA   4          1HB       ALA   4 119.051  30.319  30.319
   30    H    ALA   5           H        ALA   5 116.458  30.397  30.397
   31    HA   ALA   5           HA       ALA   5 115.398  28.280  28.280
   32   1HB   ALA   5          3HB       ALA   5 114.701  30.941  30.941
   33   2HB   ALA   5          2HB       ALA   5 113.504  30.194  30.194
   34   3HB   ALA   5          1HB       ALA   5 113.654  29.665  29.665
   35    H    GLY   6           H        GLY   6 115.280  26.471  26.471
   36   1HA   GLY   6          2HA       GLY   6 113.804  25.343  25.343
   37   2HA   GLY   6          1HA       GLY   6 113.970  26.781  26.781
   38    H    SER   7           H        SER   7 114.897  25.613  25.613
   39    HA   SER   7           HA       SER   7 116.699  24.753  24.753
   40   1HB   SER   7          2HB       SER   7 118.319  25.631  25.631
   41   2HB   SER   7          1HB       SER   7 118.904  25.425  25.425
   42    HG   SER   7           HG       SER   7 118.081  27.294  27.294
   43    H    SER   8           H        SER   8 115.362  22.729  22.729
   44    HA   SER   8           HA       SER   8 117.452  20.803  20.803
   45   1HB   SER   8          2HB       SER   8 116.207  20.157  20.157
   46   2HB   SER   8          1HB       SER   8 116.624  21.864  21.864
   47    HG   SER   8           HG       SER   8 114.526  21.957  21.957
   48    H    MET   9           H        MET   9 117.001  18.811  18.811
   49    HA   MET   9           HA       MET   9 114.426  18.499  18.499
   50   1HB   MET   9          2HB       MET   9 115.677  16.686  16.686
   51   2HB   MET   9          1HB       MET   9 116.580  18.199  18.199
   52   1HG   MET   9          2HG       MET   9 118.299  17.227  17.227
   53   2HG   MET   9          1HG       MET   9 117.248  16.796  16.796
   54   1HE   MET   9          1HE       MET   9 119.756  15.711  15.711
   55   2HE   MET   9          3HE       MET   9 119.582  14.050  14.050
   56   3HE   MET   9          2HE       MET   9 119.133  15.400  15.400
   57    H    GLU  10           H        GLU  10 113.118  18.011  18.011
   58    HA   GLU  10           HA       GLU  10 112.052  16.487  16.487
   59   1HB   GLU  10          2HB       GLU  10 112.517  15.225  15.225
   60   2HB   GLU  10          1HB       GLU  10 113.649  14.298  14.298
   61   1HG   GLU  10          2HG       GLU  10 111.886  13.046  13.046
   62   2HG   GLU  10          1HG       GLU  10 111.341  14.449  14.449
   63    HA   PRO  11           HA       PRO  11 115.985  16.225  16.225
   64   1HB   PRO  11          2HB       PRO  11 115.092  17.796  17.796
   65   2HB   PRO  11          1HB       PRO  11 115.912  18.451  18.451
   66   1HG   PRO  11          2HG       PRO  11 113.004  18.346  18.346
   67   2HG   PRO  11          1HG       PRO  11 113.950  19.642  19.642
   68   1HD   PRO  11          2HD       PRO  11 112.384  17.951  17.951
   69   2HD   PRO  11          1HD       PRO  11 113.865  18.683  18.683
   70    H    SER  12           H        SER  12 114.540  14.034  14.034
   71    HA   SER  12           HA       SER  12 113.134  13.614  13.614
   72   1HB   SER  12          2HB       SER  12 112.986  12.625  12.625
   73   2HB   SER  12          1HB       SER  12 113.198  11.276  11.276
   74    HG   SER  12           HG       SER  12 110.980  12.470  12.470
   75    H    ALA  13           H        ALA  13 114.552  13.059  13.059
   76    HA   ALA  13           HA       ALA  13 116.377  10.772  10.772
   77   1HB   ALA  13          1HB       ALA  13 117.284  13.298  13.298
   78   2HB   ALA  13          3HB       ALA  13 117.687  13.138  13.138
   79   3HB   ALA  13          2HB       ALA  13 118.319  11.977  11.977
   80    H    ASP  14           H        ASP  14 115.995  13.437  13.437
   81    HA   ASP  14           HA       ASP  14 116.091  11.464  11.464
   82   1HB   ASP  14          2HB       ASP  14 116.035  14.473  14.473
   83   2HB   ASP  14          1HB       ASP  14 115.899  13.673  13.673
   84    H    TRP  15           H        TRP  15 113.698  12.472  12.472
   85    HA   TRP  15           HA       TRP  15 111.546  13.125  13.125
   86   1HB   TRP  15          2HB       TRP  15 111.729  12.141  12.141
   87   2HB   TRP  15          1HB       TRP  15 110.203  12.581  12.581
   88    HD1  TRP  15           HD1      TRP  15 112.696  14.782  14.782
   89    HE1  TRP  15           HE1      TRP  15 112.718  17.077  17.077
   90    HE3  TRP  15           HE3      TRP  15 109.998  13.655  13.655
   91    HZ2  TRP  15           HZ2      TRP  15 111.727  18.277  18.277
   92    HZ3  TRP  15           HZ3      TRP  15 109.551  15.392  15.392
   93    HH2  TRP  15           HH2      TRP  15 110.412  17.697  17.697
   94    H    LEU  16           H        LEU  16 113.139  10.185  10.185
   95    HA   LEU  16           HA       LEU  16 110.876   8.393   8.393
   96   1HB   LEU  16          2HB       LEU  16 112.570   7.345   7.345
   97   2HB   LEU  16          1HB       LEU  16 113.818   8.320   8.320
   98    HG   LEU  16           HG       LEU  16 113.608   6.961   6.961
   99   1HD1  LEU  16          2HD1      LEU  16 111.365   5.793   5.793
  100   2HD1  LEU  16          1HD1      LEU  16 112.267   4.714   4.714
  101   3HD1  LEU  16          3HD1      LEU  16 111.455   6.126   6.126
  102   1HD2  LEU  16          2HD2      LEU  16 114.762   6.190   6.190
  103   2HD2  LEU  16          1HD2      LEU  16 115.109   5.504   5.504
  104   3HD2  LEU  16          3HD2      LEU  16 113.901   4.749   4.749
  105    H    ALA  17           H        ALA  17 113.684   9.050   9.050
  106    HA   ALA  17           HA       ALA  17 112.646   7.696   7.696
  107   1HB   ALA  17          2HB       ALA  17 114.762   9.662   9.662
  108   2HB   ALA  17          1HB       ALA  17 114.266   9.650   9.650
  109   3HB   ALA  17          3HB       ALA  17 114.873   8.174   8.174
  110    H    THR  18           H        THR  18 112.604  11.167  11.167
  111    HA   THR  18           HA       THR  18 111.296  12.332  12.332
  112    HB   THR  18           HB       THR  18 110.122  13.627  13.627
  113    HG1  THR  18           HG1      THR  18 110.521  12.488  12.488
  114   1HG2  THR  18          3HG2      THR  18 112.635  13.758  13.758
  115   2HG2  THR  18          2HG2      THR  18 112.911  14.125  14.125
  116   3HG2  THR  18          1HG2      THR  18 111.744  15.066  15.066
  117    H    ALA  19           H        ALA  19 109.419  11.288  11.288
  118    HA   ALA  19           HA       ALA  19 106.840  11.369  11.369
  119   1HB   ALA  19          2HB       ALA  19 108.293   9.601   9.601
  120   2HB   ALA  19          1HB       ALA  19 106.591   9.291   9.291
  121   3HB   ALA  19          3HB       ALA  19 107.087  10.846  10.846
  122    H    ALA  20           H        ALA  20 109.031   8.531   8.531
  123    HA   ALA  20           HA       ALA  20 107.491   6.671   6.671
  124   1HB   ALA  20          3HB       ALA  20 110.152   7.039   7.039
  125   2HB   ALA  20          2HB       ALA  20 110.237   6.885   6.885
  126   3HB   ALA  20          1HB       ALA  20 109.499   5.607   5.607
  127    H    ALA  21           H        ALA  21 109.638   9.100   9.100
  128    HA   ALA  21           HA       ALA  21 108.851   8.555   8.555
  129   1HB   ALA  21          1HB       ALA  21 110.789   9.957   9.957
  130   2HB   ALA  21          3HB       ALA  21 109.653  11.289  11.289
  131   3HB   ALA  21          2HB       ALA  21 110.219  10.383  10.383
  132    H    ARG  22           H        ARG  22 107.240  10.324  10.324
  133    HA   ARG  22           HA       ARG  22 105.478  11.730  11.730
  134   1HB   ARG  22          2HB       ARG  22 105.760  11.861  11.861
  135   2HB   ARG  22          1HB       ARG  22 104.761  12.939  12.939
  136   1HG   ARG  22          2HG       ARG  22 107.016  13.300  13.300
  137   2HG   ARG  22          1HG       ARG  22 107.746  12.776  12.776
  138   1HD   ARG  22          2HD       ARG  22 105.750  15.054  15.054
  139   2HD   ARG  22          1HD       ARG  22 107.501  15.242  15.242
  140    HE   ARG  22           HE       ARG  22 106.258  13.509  13.509
  141   1HH1  ARG  22          2HH1      ARG  22 106.634  16.820  16.820
  142   2HH1  ARG  22          1HH1      ARG  22 106.891  17.368  17.368
  143   1HH2  ARG  22          1HH2      ARG  22 106.810  14.184  14.184
  144   2HH2  ARG  22          2HH2      ARG  22 106.987  15.877  15.877
  145    H    GLY  23           H        GLY  23 105.367   8.715   8.715
  146   1HA   GLY  23          2HA       GLY  23 103.707   7.117   7.117
  147   2HA   GLY  23          1HA       GLY  23 102.598   8.334   8.334
  148    H    ARG  24           H        ARG  24 104.568   8.115   8.115
  149    HA   ARG  24           HA       ARG  24 102.051   8.576   8.576
  150   1HB   ARG  24          2HB       ARG  24 104.870   9.588   9.588
  151   2HB   ARG  24          1HB       ARG  24 103.433   9.973   9.973
  152   1HG   ARG  24          2HG       ARG  24 103.143  10.513  10.513
  153   2HG   ARG  24          1HG       ARG  24 104.378  11.490  11.490
  154   1HD   ARG  24          2HD       ARG  24 102.783  12.318  12.318
  155   2HD   ARG  24          1HD       ARG  24 101.543  11.187  11.187
  156    HE   ARG  24           HE       ARG  24 102.425  12.660  12.660
  157   1HH1  ARG  24          2HH1      ARG  24 100.917  13.268  13.268
  158   2HH1  ARG  24          1HH1      ARG  24  99.948  14.570  14.570
  159   1HH2  ARG  24          1HH2      ARG  24 101.133  14.329  14.329
  160   2HH2  ARG  24          2HH2      ARG  24 100.074  15.175  15.175
  161    H    VAL  25           H        VAL  25 101.884   6.274   6.274
  162    HA   VAL  25           HA       VAL  25 104.097   4.729   4.729
  163    HB   VAL  25           HB       VAL  25 101.089   4.330   4.330
  164   1HG1  VAL  25          1HG1      VAL  25 103.322   2.509   2.509
  165   2HG1  VAL  25          3HG1      VAL  25 101.835   1.855   1.855
  166   3HG1  VAL  25          2HG1      VAL  25 101.776   2.824   2.824
  167   1HG2  VAL  25          3HG2      VAL  25 103.129   4.268   4.268
  168   2HG2  VAL  25          2HG2      VAL  25 101.446   3.770   3.770
  169   3HG2  VAL  25          1HG2      VAL  25 102.667   2.594   2.594
  170    H    GLU  26           H        GLU  26 101.260   6.356   6.356
  171    HA   GLU  26           HA       GLU  26 101.697   5.449   5.449
  172   1HB   GLU  26          2HB       GLU  26  99.967   7.247   7.247
  173   2HB   GLU  26          1HB       GLU  26 100.382   7.929   7.929
  174   1HG   GLU  26          2HG       GLU  26  99.845   5.189   5.189
  175   2HG   GLU  26          1HG       GLU  26  98.566   5.767   5.767
  176    H    GLU  27           H        GLU  27 102.860   8.269   8.269
  177    HA   GLU  27           HA       GLU  27 103.906   9.766   9.766
  178   1HB   GLU  27          2HB       GLU  27 103.622  10.222  10.222
  179   2HB   GLU  27          1HB       GLU  27 105.283   9.634   9.634
  180   1HG   GLU  27          2HG       GLU  27 105.705  11.872  11.872
  181   2HG   GLU  27          1HG       GLU  27 105.567  11.319  11.319
  182    H    VAL  28           H        VAL  28 105.531   7.399   7.399
  183    HA   VAL  28           HA       VAL  28 108.005   7.424   7.424
  184    HB   VAL  28           HB       VAL  28 106.892   5.314   5.314
  185   1HG1  VAL  28          3HG1      VAL  28 109.569   5.973   5.973
  186   2HG1  VAL  28          2HG1      VAL  28 109.519   5.414   5.414
  187   3HG1  VAL  28          1HG1      VAL  28 108.871   4.401   4.401
  188   1HG2  VAL  28          2HG2      VAL  28 107.605   8.094   8.094
  189   2HG2  VAL  28          1HG2      VAL  28 106.882   6.942   6.942
  190   3HG2  VAL  28          3HG2      VAL  28 108.637   7.021   7.021
  191    H    ARG  29           H        ARG  29 105.305   5.051   5.051
  192    HA   ARG  29           HA       ARG  29 106.157   3.021   3.021
  193   1HB   ARG  29          2HB       ARG  29 103.666   4.228   4.228
  194   2HB   ARG  29          1HB       ARG  29 103.534   3.730   3.730
  195   1HG   ARG  29          2HG       ARG  29 103.228   1.621   1.621
  196   2HG   ARG  29          1HG       ARG  29 104.883   1.628   1.628
  197   1HD   ARG  29          2HD       ARG  29 104.124   2.491   2.491
  198   2HD   ARG  29          1HD       ARG  29 102.454   2.559   2.559
  199    HE   ARG  29           HE       ARG  29 103.550   0.233   0.233
  200   1HH1  ARG  29          2HH1      ARG  29 100.964   0.841   0.841
  201   2HH1  ARG  29          1HH1      ARG  29 101.043  -0.550  -0.550
  202   1HH2  ARG  29          1HH2      ARG  29 104.251  -1.418  -1.418
  203   2HH2  ARG  29          2HH2      ARG  29 102.897  -1.833  -1.833
  204    H    ALA  30           H        ALA  30 104.953   6.193   6.193
  205    HA   ALA  30           HA       ALA  30 105.326   5.599   5.599
  206   1HB   ALA  30          2HB       ALA  30 103.769   7.277   7.277
  207   2HB   ALA  30          1HB       ALA  30 105.176   8.338   8.338
  208   3HB   ALA  30          3HB       ALA  30 104.432   7.756   7.756
  209    H    LEU  31           H        LEU  31 107.003   7.662   7.662
  210    HA   LEU  31           HA       LEU  31 109.172   8.484   8.484
  211   1HB   LEU  31          2HB       LEU  31 108.677   8.174   8.174
  212   2HB   LEU  31          1HB       LEU  31 110.263   8.678   8.678
  213    HG   LEU  31           HG       LEU  31 108.070  10.134  10.134
  214   1HD1  LEU  31          3HD1      LEU  31 108.011   9.767   9.767
  215   2HD1  LEU  31          2HD1      LEU  31 108.201  11.463  11.463
  216   3HD1  LEU  31          1HD1      LEU  31 106.828  10.543  10.543
  217   1HD2  LEU  31          3HD2      LEU  31 110.799  10.480  10.480
  218   2HD2  LEU  31          2HD2      LEU  31 109.760  11.609  11.609
  219   3HD2  LEU  31          1HD2      LEU  31 109.903  11.714  11.714
  220    H    LEU  32           H        LEU  32 109.209   6.028   6.028
  221    HA   LEU  32           HA       LEU  32 111.674   4.848   4.848
  222   1HB   LEU  32          2HB       LEU  32 109.631   4.381   4.381
  223   2HB   LEU  32          1HB       LEU  32 109.115   3.268   3.268
  224    HG   LEU  32           HG       LEU  32 110.570   1.692   1.692
  225   1HD1  LEU  32          3HD1      LEU  32 112.447   2.887   2.887
  226   2HD1  LEU  32          2HD1      LEU  32 112.696   3.827   3.827
  227   3HD1  LEU  32          1HD1      LEU  32 112.966   2.084   2.084
  228   1HD2  LEU  32          1HD2      LEU  32 109.748   2.571   2.571
  229   2HD2  LEU  32          3HD2      LEU  32 111.340   1.826   1.826
  230   3HD2  LEU  32          2HD2      LEU  32 111.189   3.582   3.582
  231    H    GLU  33           H        GLU  33 108.781   4.028   4.028
  232    HA   GLU  33           HA       GLU  33 110.186   2.102   2.102
  233   1HB   GLU  33          2HB       GLU  33 107.601   2.617   2.617
  234   2HB   GLU  33          1HB       GLU  33 107.684   3.419   3.419
  235   1HG   GLU  33          2HG       GLU  33 108.135   1.446   1.446
  236   2HG   GLU  33          1HG       GLU  33 108.820   0.657   0.657
  237    H    ALA  34           H        ALA  34 109.941   5.527   5.527
  238    HA   ALA  34           HA       ALA  34 110.369   5.879   5.879
  239   1HB   ALA  34          1HB       ALA  34 108.997   7.317   7.317
  240   2HB   ALA  34          3HB       ALA  34 110.556   7.955   7.955
  241   3HB   ALA  34          2HB       ALA  34 110.029   8.168   8.168
  242    H    GLY  35           H        GLY  35 112.353   5.231   5.231
  243   1HA   GLY  35          2HA       GLY  35 114.759   4.835   4.835
  244   2HA   GLY  35          1HA       GLY  35 114.691   6.452   6.452
  245    H    ALA  36           H        ALA  36 113.011   6.094   6.094
  246    HA   ALA  36           HA       ALA  36 114.520   8.071   8.071
  247   1HB   ALA  36          3HB       ALA  36 112.238   6.586   6.586
  248   2HB   ALA  36          2HB       ALA  36 113.298   5.982   5.982
  249   3HB   ALA  36          1HB       ALA  36 112.925   7.704   7.704
  250    H    LEU  37           H        LEU  37 116.404   7.993   7.993
  251    HA   LEU  37           HA       LEU  37 118.056   5.573   5.573
  252   1HB   LEU  37          2HB       LEU  37 118.790   7.958   7.958
  253   2HB   LEU  37          1HB       LEU  37 118.535   8.255   8.255
  254    HG   LEU  37           HG       LEU  37 120.166   6.460   6.460
  255   1HD1  LEU  37          1HD1      LEU  37 119.816   5.893   5.893
  256   2HD1  LEU  37          3HD1      LEU  37 121.518   6.215   6.215
  257   3HD1  LEU  37          2HD1      LEU  37 120.673   4.950   4.950
  258   1HD2  LEU  37          1HD2      LEU  37 120.797   8.916   8.916
  259   2HD2  LEU  37          3HD2      LEU  37 122.114   7.752   7.752
  260   3HD2  LEU  37          2HD2      LEU  37 121.379   8.424   8.424
  261    HA   PRO  38           HA       PRO  38 116.527   4.381   4.381
  262   1HB   PRO  38          2HB       PRO  38 117.796   1.962   1.962
  263   2HB   PRO  38          1HB       PRO  38 116.283   2.229   2.229
  264   1HG   PRO  38          2HG       PRO  38 119.069   2.058   2.058
  265   2HG   PRO  38          1HG       PRO  38 117.559   1.478   1.478
  266   1HD   PRO  38          2HD       PRO  38 118.839   3.772   3.772
  267   2HD   PRO  38          1HD       PRO  38 117.094   3.492   3.492
  268    H    ASN  39           H        ASN  39 119.927   4.123   4.123
  269    HA   ASN  39           HA       ASN  39 120.858   4.286   4.286
  270   1HB   ASN  39          2HB       ASN  39 122.397   4.192   4.192
  271   2HB   ASN  39          1HB       ASN  39 123.031   3.850   3.850
  272   1HD2  ASN  39          1HD2      ASN  39 120.400   2.400   2.400
  273   2HD2  ASN  39          2HD2      ASN  39 120.547   0.894   0.894
  274    H    ALA  40           H        ALA  40 119.477   6.568   6.568
  275    HA   ALA  40           HA       ALA  40 121.298   8.626   8.626
  276   1HB   ALA  40          2HB       ALA  40 118.751   8.426   8.426
  277   2HB   ALA  40          1HB       ALA  40 118.644   8.983   8.983
  278   3HB   ALA  40          3HB       ALA  40 119.367  10.019  10.019
  279    HA   PRO  41           HA       PRO  41 123.023   9.711   9.711
  280   1HB   PRO  41          2HB       PRO  41 123.736  12.300  12.300
  281   2HB   PRO  41          1HB       PRO  41 124.612  10.904  10.904
  282   1HG   PRO  41          2HG       PRO  41 122.600  12.668  12.668
  283   2HG   PRO  41          1HG       PRO  41 124.074  11.954  11.954
  284   1HD   PRO  41          2HD       PRO  41 121.571  10.966  10.966
  285   2HD   PRO  41          1HD       PRO  41 123.049   9.977   9.977
  286    H    ASN  42           H        ASN  42 121.097   9.678   9.678
  287    HA   ASN  42           HA       ASN  42 119.081  11.720  11.720
  288   1HB   ASN  42          2HB       ASN  42 120.043   9.554   9.554
  289   2HB   ASN  42          1HB       ASN  42 118.811  10.682  10.682
  290   1HD2  ASN  42          1HD2      ASN  42 119.517   8.431   8.431
  291   2HD2  ASN  42          2HD2      ASN  42 117.891   8.091   8.091
  292    H    SER  43           H        SER  43 118.739  13.369  13.369
  293    HA   SER  43           HA       SER  43 121.279  14.675  14.675
  294   1HB   SER  43          2HB       SER  43 118.949  15.569  15.569
  295   2HB   SER  43          1HB       SER  43 118.627  15.854  15.854
  296    HG   SER  43           HG       SER  43 119.756  17.568  17.568
  297    H    TYR  44           H        TYR  44 119.359  12.373  12.373
  298    HA   TYR  44           HA       TYR  44 119.666  13.487  13.487
  299   1HB   TYR  44          2HB       TYR  44 117.888  11.206  11.206
  300   2HB   TYR  44          1HB       TYR  44 117.752  12.164  12.164
  301    HD1  TYR  44           HD2      TYR  44 117.294  12.185  12.185
  302    HD2  TYR  44           HD1      TYR  44 116.704  14.332  14.332
  303    HE1  TYR  44           HE2      TYR  44 115.796  13.776  13.776
  304    HE2  TYR  44           HE1      TYR  44 115.205  15.922  15.922
  305    HH   TYR  44           HH       TYR  44 114.428  15.518  15.518
  306    H    GLY  45           H        GLY  45 121.624  11.909  11.909
  307   1HA   GLY  45          2HA       GLY  45 123.064  10.061  10.061
  308   2HA   GLY  45          1HA       GLY  45 122.971  10.394  10.394
  309    H    ARG  46           H        ARG  46 120.178   9.546   9.546
  310    HA   ARG  46           HA       ARG  46 119.981   6.985   6.985
  311   1HB   ARG  46          2HB       ARG  46 118.130   9.179   9.179
  312   2HB   ARG  46          1HB       ARG  46 117.448   7.557   7.557
  313   1HG   ARG  46          2HG       ARG  46 118.520   7.225   7.225
  314   2HG   ARG  46          1HG       ARG  46 118.653   8.980   8.980
  315   1HD   ARG  46          2HD       ARG  46 116.155   9.060   9.060
  316   2HD   ARG  46          1HD       ARG  46 116.121   7.322   7.322
  317    HE   ARG  46           HE       ARG  46 117.019   9.394   9.394
  318   1HH1  ARG  46          2HH1      ARG  46 114.474   7.394   7.394
  319   2HH1  ARG  46          1HH1      ARG  46 114.673   6.451   6.451
  320   1HH2  ARG  46          1HH2      ARG  46 117.804   7.737   7.737
  321   2HH2  ARG  46          2HH2      ARG  46 116.555   6.647   6.647
  322    H    ARG  47           H        ARG  47 117.888   5.876   5.876
  323    HA   ARG  47           HA       ARG  47 119.317   5.299   5.299
  324   1HB   ARG  47          2HB       ARG  47 118.136   3.741   3.741
  325   2HB   ARG  47          1HB       ARG  47 117.553   3.220   3.220
  326   1HG   ARG  47          2HG       ARG  47 119.553   1.962   1.962
  327   2HG   ARG  47          1HG       ARG  47 119.973   3.162   3.162
  328   1HD   ARG  47          2HD       ARG  47 120.334   4.405   4.405
  329   2HD   ARG  47          1HD       ARG  47 121.136   2.824   2.824
  330    HE   ARG  47           HE       ARG  47 121.755   3.946   3.946
  331   1HH1  ARG  47          2HH1      ARG  47 121.740   6.129   6.129
  332   2HH1  ARG  47          1HH1      ARG  47 123.452   6.292   6.292
  333   1HH2  ARG  47          1HH2      ARG  47 124.191   3.475   3.475
  334   2HH2  ARG  47          2HH2      ARG  47 124.838   4.785   4.785
  335    HA   PRO  48           HA       PRO  48 115.718   6.202   6.202
  336   1HB   PRO  48          2HB       PRO  48 115.261   3.962   3.962
  337   2HB   PRO  48          1HB       PRO  48 116.626   5.057   5.057
  338   1HG   PRO  48          2HG       PRO  48 116.571   2.443   2.443
  339   2HG   PRO  48          1HG       PRO  48 117.781   3.091   3.091
  340   1HD   PRO  48          2HD       PRO  48 118.106   3.091   3.091
  341   2HD   PRO  48          1HD       PRO  48 118.814   4.327   4.327
  342    H    ILE  49           H        ILE  49 115.614   3.225   3.225
  343    HA   ILE  49           HA       ILE  49 112.617   3.338   3.338
  344    HB   ILE  49           HB       ILE  49 114.720   1.205   1.205
  345   1HG1  ILE  49          2HG1      ILE  49 112.239   1.612   1.612
  346   2HG1  ILE  49          1HG1      ILE  49 113.909   1.479   1.479
  347   1HG2  ILE  49          1HG2      ILE  49 113.112   1.048   1.048
  348   2HG2  ILE  49          3HG2      ILE  49 111.801   0.876   0.876
  349   3HG2  ILE  49          2HG2      ILE  49 113.067  -0.345  -0.345
  350   1HD1  ILE  49          1HD1      ILE  49 113.769  -0.882  -0.882
  351   2HD1  ILE  49          3HD1      ILE  49 112.039  -0.670  -0.670
  352   3HD1  ILE  49          2HD1      ILE  49 113.147  -0.672  -0.672
  353    H    GLN  50           H        GLN  50 115.540   3.160   3.160
  354    HA   GLN  50           HA       GLN  50 114.444   2.905   2.905
  355   1HB   GLN  50          2HB       GLN  50 116.826   2.992   2.992
  356   2HB   GLN  50          1HB       GLN  50 116.695   4.635   4.635
  357   1HG   GLN  50          2HG       GLN  50 116.736   5.542   5.542
  358   2HG   GLN  50          1HG       GLN  50 115.609   4.345   4.345
  359   1HE2  GLN  50          1HE2      GLN  50 119.004   4.420   4.420
  360   2HE2  GLN  50          2HE2      GLN  50 119.621   3.405   3.405
  361    H    VAL  51           H        VAL  51 114.143   5.570   5.570
  362    HA   VAL  51           HA       VAL  51 113.039   7.355   7.355
  363    HB   VAL  51           HB       VAL  51 114.910   7.987   7.987
  364   1HG1  VAL  51          3HG1      VAL  51 112.599   7.852   7.852
  365   2HG1  VAL  51          2HG1      VAL  51 114.126   8.668   8.668
  366   3HG1  VAL  51          1HG1      VAL  51 114.098   6.927   6.927
  367   1HG2  VAL  51          2HG2      VAL  51 112.335   9.542   9.542
  368   2HG2  VAL  51          1HG2      VAL  51 113.854   9.798   9.798
  369   3HG2  VAL  51          3HG2      VAL  51 113.731  10.202  10.202
  370    H    MET  52           H        MET  52 112.026   5.203   5.203
  371    HA   MET  52           HA       MET  52 109.718   6.549   6.549
  372   1HB   MET  52          2HB       MET  52 109.185   4.382   4.382
  373   2HB   MET  52          1HB       MET  52 110.944   4.457   4.457
  374   1HG   MET  52          2HG       MET  52 110.819   2.503   2.503
  375   2HG   MET  52          1HG       MET  52 110.338   3.490   3.490
  376   1HE   MET  52          2HE       MET  52 110.008   0.690   0.690
  377   2HE   MET  52          1HE       MET  52 108.778   1.021   1.021
  378   3HE   MET  52          3HE       MET  52 108.389   0.029   0.029
  379    H    MET  53           H        MET  53 107.439   6.005   6.005
  380    HA   MET  53           HA       MET  53 106.839   6.269   6.269
  381   1HB   MET  53          2HB       MET  53 105.502   6.127   6.127
  382   2HB   MET  53          1HB       MET  53 104.629   5.134   5.134
  383   1HG   MET  53          2HG       MET  53 105.530   7.720   7.720
  384   2HG   MET  53          1HG       MET  53 104.374   7.866   7.866
  385   1HE   MET  53          2HE       MET  53 102.674   6.160   6.160
  386   2HE   MET  53          1HE       MET  53 101.601   5.515   5.515
  387   3HE   MET  53          3HE       MET  53 101.522   7.226   7.226
  388    H    MET  54           H        MET  54 107.531   4.637   4.637
  389    HA   MET  54           HA       MET  54 107.759   1.875   1.875
  390   1HB   MET  54          2HB       MET  54 107.818   3.620   3.620
  391   2HB   MET  54          1HB       MET  54 107.442   1.927   1.927
  392   1HG   MET  54          2HG       MET  54 109.906   2.459   2.459
  393   2HG   MET  54          1HG       MET  54 109.473   1.192   1.192
  394   1HE   MET  54          3HE       MET  54 110.373   0.913   0.913
  395   2HE   MET  54          2HE       MET  54 110.879   1.993   1.993
  396   3HE   MET  54          1HE       MET  54 111.936   1.731   1.731
  397    H    GLY  55           H        GLY  55 104.944   3.737   3.737
  398   1HA   GLY  55          2HA       GLY  55 103.369   1.465   1.465
  399   2HA   GLY  55          1HA       GLY  55 102.764   3.097   3.097
  400    H    SER  56           H        SER  56 104.628   1.414   1.414
  401    HA   SER  56           HA       SER  56 102.267   0.482   0.482
  402   1HB   SER  56          2HB       SER  56 103.531   3.121   3.121
  403   2HB   SER  56          1HB       SER  56 103.323   2.185   2.185
  404    HG   SER  56           HG       SER  56 101.512   3.601   3.601
  405    H    ALA  57           H        ALA  57 103.688  -1.453  -1.453
  406    HA   ALA  57           HA       ALA  57 106.306  -1.806  -1.806
  407   1HB   ALA  57          3HB       ALA  57 103.804  -3.486  -3.486
  408   2HB   ALA  57          2HB       ALA  57 105.276  -4.150  -4.150
  409   3HB   ALA  57          1HB       ALA  57 105.263  -3.641  -3.641
  410    H    ARG  58           H        ARG  58 103.385  -1.202  -1.202
  411    HA   ARG  58           HA       ARG  58 104.001  -2.137  -2.137
  412   1HB   ARG  58          2HB       ARG  58 102.296  -0.164  -0.164
  413   2HB   ARG  58          1HB       ARG  58 102.812   0.403   0.403
  414   1HG   ARG  58          2HG       ARG  58 101.823  -1.409  -1.409
  415   2HG   ARG  58          1HG       ARG  58 101.794  -2.409  -2.409
  416   1HD   ARG  58          2HD       ARG  58  99.938  -1.216  -1.216
  417   2HD   ARG  58          1HD       ARG  58 100.153   0.143   0.143
  418    HE   ARG  58           HE       ARG  58  99.184  -2.571  -2.571
  419   1HH1  ARG  58          1HH2      ARG  58  97.886   0.363   0.363
  420   2HH1  ARG  58          2HH2      ARG  58  97.682   0.620   0.620
  421   1HH2  ARG  58          2HH1      ARG  58  99.652  -2.076  -2.076
  422   2HH2  ARG  58          1HH1      ARG  58  98.675  -0.759  -0.759
  423    H    VAL  59           H        VAL  59 104.857   1.044   1.044
  424    HA   VAL  59           HA       VAL  59 106.334   2.096   2.096
  425    HB   VAL  59           HB       VAL  59 107.163   2.495   2.495
  426   1HG1  VAL  59          2HG1      VAL  59 108.079   3.618   3.618
  427   2HG1  VAL  59          1HG1      VAL  59 106.694   4.675   4.675
  428   3HG1  VAL  59          3HG1      VAL  59 107.944   4.527   4.527
  429   1HG2  VAL  59          3HG2      VAL  59 104.527   3.065   3.065
  430   2HG2  VAL  59          2HG2      VAL  59 104.947   2.833   2.833
  431   3HG2  VAL  59          1HG2      VAL  59 105.247   4.387   4.387
  432    H    ALA  60           H        ALA  60 107.804   0.667   0.667
  433    HA   ALA  60           HA       ALA  60 110.431   0.378   0.378
  434   1HB   ALA  60          1HB       ALA  60 108.491  -1.066  -1.066
  435   2HB   ALA  60          3HB       ALA  60 109.864  -2.058  -2.058
  436   3HB   ALA  60          2HB       ALA  60 110.136  -0.553  -0.553
  437    H    GLU  61           H        GLU  61 107.765  -1.796  -1.796
  438    HA   GLU  61           HA       GLU  61 109.277  -3.713  -3.713
  439   1HB   GLU  61          2HB       GLU  61 106.683  -3.360  -3.360
  440   2HB   GLU  61          1HB       GLU  61 106.626  -2.798  -2.798
  441   1HG   GLU  61          2HG       GLU  61 108.209  -5.181  -5.181
  442   2HG   GLU  61          1HG       GLU  61 106.703  -5.494  -5.494
  443    H    LEU  62           H        LEU  62 107.760  -0.648  -0.648
  444    HA   LEU  62           HA       LEU  62 108.450  -0.720  -0.720
  445   1HB   LEU  62          2HB       LEU  62 107.451   1.104   1.104
  446   2HB   LEU  62          1HB       LEU  62 108.841   1.903   1.903
  447    HG   LEU  62           HG       LEU  62 106.349   0.875   0.875
  448   1HD1  LEU  62          3HD1      LEU  62 107.166   3.361   3.361
  449   2HD1  LEU  62          2HD1      LEU  62 107.480   3.441   3.441
  450   3HD1  LEU  62          1HD1      LEU  62 105.863   3.062   3.062
  451   1HD2  LEU  62          3HD2      LEU  62 109.074   0.899   0.899
  452   2HD2  LEU  62          2HD2      LEU  62 107.600   0.272   0.272
  453   3HD2  LEU  62          1HD2      LEU  62 108.020   1.975   1.975
  454    H    LEU  63           H        LEU  63 110.328   0.783   0.783
  455    HA   LEU  63           HA       LEU  63 112.678   1.299   1.299
  456   1HB   LEU  63          2HB       LEU  63 112.191   0.945   0.945
  457   2HB   LEU  63          1HB       LEU  63 113.667   1.617   1.617
  458    HG   LEU  63           HG       LEU  63 111.672   3.083   3.083
  459   1HD1  LEU  63          1HD1      LEU  63 110.623   2.015   2.015
  460   2HD1  LEU  63          3HD1      LEU  63 110.719   3.775   3.775
  461   3HD1  LEU  63          2HD1      LEU  63 109.804   2.979   2.979
  462   1HD2  LEU  63          3HD2      LEU  63 113.455   3.551   3.551
  463   2HD2  LEU  63          2HD2      LEU  63 113.626   4.170   4.170
  464   3HD2  LEU  63          1HD2      LEU  63 112.384   4.826   4.826
  465    H    LEU  64           H        LEU  64 111.796  -1.344  -1.344
  466    HA   LEU  64           HA       LEU  64 114.254  -2.804  -2.804
  467   1HB   LEU  64          2HB       LEU  64 112.316  -2.985  -2.985
  468   2HB   LEU  64          1HB       LEU  64 111.465  -3.905  -3.905
  469    HG   LEU  64           HG       LEU  64 114.088  -4.986  -4.986
  470   1HD1  LEU  64          2HD1      LEU  64 113.835  -3.776  -3.776
  471   2HD1  LEU  64          1HD1      LEU  64 112.787  -5.146  -5.146
  472   3HD1  LEU  64          3HD1      LEU  64 114.471  -5.419  -5.419
  473   1HD2  LEU  64          2HD2      LEU  64 111.276  -5.817  -5.817
  474   2HD2  LEU  64          1HD2      LEU  64 112.580  -6.611  -6.611
  475   3HD2  LEU  64          3HD2      LEU  64 112.448  -6.810  -6.810
  476    H    LEU  65           H        LEU  65 111.140  -3.417  -3.417
  477    HA   LEU  65           HA       LEU  65 111.859  -5.535  -5.535
  478   1HB   LEU  65          2HB       LEU  65 109.595  -4.770  -4.770
  479   2HB   LEU  65          1HB       LEU  65 110.065  -3.117  -3.117
  480    HG   LEU  65           HG       LEU  65 110.854  -3.991  -3.991
  481   1HD1  LEU  65          1HD1      LEU  65 109.881  -6.475  -6.475
  482   2HD1  LEU  65          3HD1      LEU  65 109.297  -6.212  -6.212
  483   3HD1  LEU  65          2HD1      LEU  65 111.030  -6.256  -6.256
  484   1HD2  LEU  65          3HD2      LEU  65 107.979  -4.011  -4.011
  485   2HD2  LEU  65          2HD2      LEU  65 108.829  -2.803  -2.803
  486   3HD2  LEU  65          1HD2      LEU  65 108.393  -4.354  -4.354
  487    H    HIS  66           H        HIS  66 112.535  -2.100  -2.100
  488    HA   HIS  66           HA       HIS  66 113.740  -2.297  -2.297
  489   1HB   HIS  66          2HB       HIS  66 113.039  -0.321  -0.321
  490   2HB   HIS  66          1HB       HIS  66 114.322   0.132   0.132
  491    HD1  HIS  66           HD1      HIS  66 113.594   1.045   1.045
  492    HD2  HIS  66           HD2      HIS  66 110.568  -1.124  -1.124
  493    HE1  HIS  66           HE1      HIS  66 111.526   1.295   1.295
  494    H    GLY  67           H        GLY  67 114.802  -2.104  -2.104
  495   1HA   GLY  67          2HA       GLY  67 116.944  -3.377  -3.377
  496   2HA   GLY  67          1HA       GLY  67 117.584  -2.450  -2.450
  497    H    ALA  68           H        ALA  68 115.782  -1.641  -1.641
  498    HA   ALA  68           HA       ALA  68 117.233   0.890   0.890
  499   1HB   ALA  68          3HB       ALA  68 114.850  -0.215  -0.215
  500   2HB   ALA  68          2HB       ALA  68 115.823  -0.178  -0.178
  501   3HB   ALA  68          1HB       ALA  68 115.527   1.307   1.307
  502    H    GLU  69           H        GLU  69 117.639   0.811   0.811
  503    HA   GLU  69           HA       GLU  69 119.993  -1.039  -1.039
  504   1HB   GLU  69          2HB       GLU  69 119.498   1.802   1.802
  505   2HB   GLU  69          1HB       GLU  69 120.420   0.932   0.932
  506   1HG   GLU  69          2HG       GLU  69 122.213   0.582   0.582
  507   2HG   GLU  69          1HG       GLU  69 121.208   0.473   0.473
  508    HA   PRO  70           HA       PRO  70 116.813  -2.087  -2.087
  509   1HB   PRO  70          2HB       PRO  70 116.675  -4.762  -4.762
  510   2HB   PRO  70          1HB       PRO  70 115.618  -3.544  -3.544
  511   1HG   PRO  70          2HG       PRO  70 118.094  -4.807  -4.807
  512   2HG   PRO  70          1HG       PRO  70 116.562  -4.443  -4.443
  513   1HD   PRO  70          2HD       PRO  70 118.745  -2.878  -2.878
  514   2HD   PRO  70          1HD       PRO  70 117.090  -2.223  -2.223
  515    H    ASN  71           H        ASN  71 119.965  -3.053  -3.053
  516    HA   ASN  71           HA       ASN  71 120.473  -4.428  -4.428
  517   1HB   ASN  71          2HB       ASN  71 120.978  -5.450  -5.450
  518   2HB   ASN  71          1HB       ASN  71 122.305  -4.288  -4.288
  519   1HD2  ASN  71          1HD2      ASN  71 123.660  -4.311  -4.311
  520   2HD2  ASN  71          2HD2      ASN  71 124.038  -5.865  -5.865
  521    H    CYS  72           H        CYS  72 122.160  -2.213  -2.213
  522    HA   CYS  72           HA       CYS  72 124.168  -1.241  -1.241
  523   1HB   CYS  72          2HB       CYS  72 122.705  -0.445  -0.445
  524   2HB   CYS  72          1HB       CYS  72 123.201   0.967   0.967
  525    HG   CYS  72           HG       CYS  72 125.299  -1.209  -1.209
  526    H    ALA  73           H        ALA  73 124.328   0.524   0.524
  527    HA   ALA  73           HA       ALA  73 121.756   1.724   1.724
  528   1HB   ALA  73          2HB       ALA  73 122.765  -0.350  -0.350
  529   2HB   ALA  73          1HB       ALA  73 123.922   0.823   0.823
  530   3HB   ALA  73          3HB       ALA  73 122.198   1.032   1.032
  531    H    ASP  74           H        ASP  74 123.551   2.821   2.821
  532    HA   ASP  74           HA       ASP  74 124.824   4.993   4.993
  533   1HB   ASP  74          2HB       ASP  74 122.737   5.160   5.160
  534   2HB   ASP  74          1HB       ASP  74 124.065   5.388   5.388
  535    HA   PRO  75           HA       PRO  75 128.533   3.428   3.428
  536   1HB   PRO  75          2HB       PRO  75 130.225   5.399   5.399
  537   2HB   PRO  75          1HB       PRO  75 129.698   4.046   4.046
  538   1HG   PRO  75          2HG       PRO  75 128.663   6.843   6.843
  539   2HG   PRO  75          1HG       PRO  75 128.986   5.821   5.821
  540   1HD   PRO  75          2HD       PRO  75 126.490   6.189   6.189
  541   2HD   PRO  75          1HD       PRO  75 127.007   4.655   4.655
  542    H    ALA  76           H        ALA  76 126.840   6.326   6.326
  543    HA   ALA  76           HA       ALA  76 128.663   7.203   7.203
  544   1HB   ALA  76          1HB       ALA  76 127.783   8.821   8.821
  545   2HB   ALA  76          3HB       ALA  76 126.136   8.380   8.380
  546   3HB   ALA  76          2HB       ALA  76 127.187   9.184   9.184
  547    H    THR  77           H        THR  77 125.229   6.309   6.309
  548    HA   THR  77           HA       THR  77 125.066   5.756   5.756
  549    HB   THR  77           HB       THR  77 122.478   5.977   5.977
  550    HG1  THR  77           HG1      THR  77 122.923   6.733   6.733
  551   1HG2  THR  77          2HG2      THR  77 123.436   7.012   7.012
  552   2HG2  THR  77          1HG2      THR  77 124.306   8.166   8.166
  553   3HG2  THR  77          3HG2      THR  77 122.545   8.203   8.203
  554    H    LEU  78           H        LEU  78 125.336   4.245   4.245
  555    HA   LEU  78           HA       LEU  78 124.779   2.101   2.101
  556   1HB   LEU  78          2HB       LEU  78 125.704   2.075   2.075
  557   2HB   LEU  78          1HB       LEU  78 124.519   0.786   0.786
  558    HG   LEU  78           HG       LEU  78 127.058   1.220   1.220
  559   1HD1  LEU  78          1HD1      LEU  78 126.169  -0.532  -0.532
  560   2HD1  LEU  78          3HD1      LEU  78 126.906  -1.406  -1.406
  561   3HD1  LEU  78          2HD1      LEU  78 127.803  -0.127  -0.127
  562   1HD2  LEU  78          3HD2      LEU  78 124.577   0.123   0.123
  563   2HD2  LEU  78          2HD2      LEU  78 126.132   0.139   0.139
  564   3HD2  LEU  78          1HD2      LEU  78 125.706  -1.212  -1.212
  565    H    THR  79           H        THR  79 122.480   3.942   3.942
  566    HA   THR  79           HA       THR  79 120.393   2.365   2.365
  567    HB   THR  79           HB       THR  79 120.184   4.593   4.593
  568    HG1  THR  79           HG1      THR  79 120.858   4.585   4.585
  569   1HG2  THR  79          1HG2      THR  79 118.078   3.390   3.390
  570   2HG2  THR  79          3HG2      THR  79 118.380   3.872   3.872
  571   3HG2  THR  79          2HG2      THR  79 118.081   5.099   5.099
  572    H    ARG  80           H        ARG  80 120.379   0.296   0.296
  573    HA   ARG  80           HA       ARG  80 120.414  -0.167  -0.167
  574   1HB   ARG  80          2HB       ARG  80 120.689  -1.667  -1.667
  575   2HB   ARG  80          1HB       ARG  80 118.975  -1.954  -1.954
  576   1HG   ARG  80          2HG       ARG  80 120.282  -3.683  -3.683
  577   2HG   ARG  80          1HG       ARG  80 119.475  -2.670  -2.670
  578   1HD   ARG  80          2HD       ARG  80 121.457  -1.998  -1.998
  579   2HD   ARG  80          1HD       ARG  80 122.105  -1.610  -1.610
  580    HE   ARG  80           HE       ARG  80 121.983  -4.440  -4.440
  581   1HH1  ARG  80          1HH2      ARG  80 123.283  -2.153  -2.153
  582   2HH1  ARG  80          2HH2      ARG  80 124.857  -2.874  -2.874
  583   1HH2  ARG  80          2HH1      ARG  80 124.183  -5.198  -5.198
  584   2HH2  ARG  80          1HH1      ARG  80 125.360  -4.588  -4.588
  585    HA   PRO  81           HA       PRO  81 116.289   1.079   1.079
  586   1HB   PRO  81          2HB       PRO  81 115.895  -0.441  -0.441
  587   2HB   PRO  81          1HB       PRO  81 116.881   1.036   1.036
  588   1HG   PRO  81          2HG       PRO  81 117.749  -1.816  -1.816
  589   2HG   PRO  81          1HG       PRO  81 118.451  -0.462  -0.462
  590   1HD   PRO  81          2HD       PRO  81 119.513  -1.350  -1.350
  591   2HD   PRO  81          1HD       PRO  81 119.573   0.363   0.363
  592    H    VAL  82           H        VAL  82 117.242  -2.049  -2.049
  593    HA   VAL  82           HA       VAL  82 114.739  -3.476  -3.476
  594    HB   VAL  82           HB       VAL  82 117.278  -3.743  -3.743
  595   1HG1  VAL  82          1HG1      VAL  82 114.832  -5.507  -5.507
  596   2HG1  VAL  82          3HG1      VAL  82 116.428  -6.142  -6.142
  597   3HG1  VAL  82          2HG1      VAL  82 115.710  -4.877  -4.877
  598   1HG2  VAL  82          1HG2      VAL  82 116.438  -4.469  -4.469
  599   2HG2  VAL  82          3HG2      VAL  82 118.032  -4.625  -4.625
  600   3HG2  VAL  82          2HG2      VAL  82 116.848  -5.918  -5.918
  601    H    HIS  83           H        HIS  83 116.058  -1.187  -1.187
  602    HA   HIS  83           HA       HIS  83 114.293  -1.851  -1.851
  603   1HB   HIS  83          2HB       HIS  83 115.782   0.707   0.707
  604   2HB   HIS  83          1HB       HIS  83 115.106   0.314   0.314
  605    HD2  HIS  83           HD2      HIS  83 117.218  -0.528  -0.528
  606    HE1  HIS  83           HE1      HIS  83 119.257  -2.819  -2.819
  607    HE2  HIS  83           HE2      HIS  83 119.217  -2.092  -2.092
  608    H    ASP  84           H        ASP  84 114.279   0.539   0.539
  609    HA   ASP  84           HA       ASP  84 112.079   2.126   2.126
  610   1HB   ASP  84          2HB       ASP  84 113.082   0.913   0.913
  611   2HB   ASP  84          1HB       ASP  84 111.842   2.159   2.159
  612    H    ALA  85           H        ALA  85 112.038  -1.112  -1.112
  613    HA   ALA  85           HA       ALA  85 109.181  -1.261  -1.261
  614   1HB   ALA  85          3HB       ALA  85 111.328  -2.677  -2.677
  615   2HB   ALA  85          2HB       ALA  85 110.833  -3.687  -3.687
  616   3HB   ALA  85          1HB       ALA  85 109.711  -3.377  -3.377
  617    H    ALA  86           H        ALA  86 111.185  -3.075  -3.075
  618    HA   ALA  86           HA       ALA  86 109.060  -3.844  -3.844
  619   1HB   ALA  86          3HB       ALA  86 111.701  -4.357  -4.357
  620   2HB   ALA  86          2HB       ALA  86 111.730  -3.314  -3.314
  621   3HB   ALA  86          1HB       ALA  86 110.773  -4.795  -4.795
  622    H    ARG  87           H        ARG  87 111.318  -1.077  -1.077
  623    HA   ARG  87           HA       ARG  87 110.371  -0.028  -0.028
  624   1HB   ARG  87          2HB       ARG  87 112.309   0.722   0.722
  625   2HB   ARG  87          1HB       ARG  87 111.129   1.568   1.568
  626   1HG   ARG  87          2HG       ARG  87 110.804   2.131   2.131
  627   2HG   ARG  87          1HG       ARG  87 112.380   2.620   2.620
  628   1HD   ARG  87          2HD       ARG  87 109.679   3.436   3.436
  629   2HD   ARG  87          1HD       ARG  87 110.821   4.484   4.484
  630    HE   ARG  87           HE       ARG  87 111.193   3.416   3.416
  631   1HH1  ARG  87          1HH2      ARG  87 111.632   6.173   6.173
  632   2HH1  ARG  87          2HH2      ARG  87 113.322   6.375   6.375
  633   1HH2  ARG  87          2HH1      ARG  87 113.737   3.170   3.170
  634   2HH2  ARG  87          1HH1      ARG  87 114.508   4.685   4.685
  635    H    GLU  88           H        GLU  88 109.000   0.279   0.279
  636    HA   GLU  88           HA       GLU  88 106.861   2.073   2.073
  637   1HB   GLU  88          2HB       GLU  88 108.137   2.086   2.086
  638   2HB   GLU  88          1HB       GLU  88 107.088   0.736   0.736
  639   1HG   GLU  88          2HG       GLU  88 105.903   2.629   2.629
  640   2HG   GLU  88          1HG       GLU  88 105.141   2.264   2.264
  641    H    GLY  89           H        GLY  89 107.379  -1.155  -1.155
  642   1HA   GLY  89          2HA       GLY  89 105.952  -2.921  -2.921
  643   2HA   GLY  89          1HA       GLY  89 104.615  -1.771  -1.771
  644    H    PHE  90           H        PHE  90 106.708  -2.166  -2.166
  645    HA   PHE  90           HA       PHE  90 104.360  -3.263  -3.263
  646   1HB   PHE  90          2HB       PHE  90 105.937  -1.068  -1.068
  647   2HB   PHE  90          1HB       PHE  90 106.735  -2.272  -2.272
  648    HD1  PHE  90           HD1      PHE  90 105.450  -3.469  -3.469
  649    HD2  PHE  90           HD2      PHE  90 103.746  -0.235  -0.235
  650    HE1  PHE  90           HE1      PHE  90 103.641  -3.259  -3.259
  651    HE2  PHE  90           HE2      PHE  90 101.941  -0.017  -0.017
  652    HZ   PHE  90           HZ       PHE  90 101.893  -1.525  -1.525
  653    H    LEU  91           H        LEU  91 104.482  -5.408  -5.408
  654    HA   LEU  91           HA       LEU  91 107.101  -6.793  -6.793
  655   1HB   LEU  91          2HB       LEU  91 104.573  -7.361  -7.361
  656   2HB   LEU  91          1HB       LEU  91 104.620  -8.275  -8.275
  657    HG   LEU  91           HG       LEU  91 106.951  -8.421  -8.421
  658   1HD1  LEU  91          1HD1      LEU  91 104.251  -9.691  -9.691
  659   2HD1  LEU  91          3HD1      LEU  91 105.699 -10.549 -10.549
  660   3HD1  LEU  91          2HD1      LEU  91 105.303  -8.975  -8.975
  661   1HD2  LEU  91          1HD2      LEU  91 106.779  -9.409  -9.409
  662   2HD2  LEU  91          3HD2      LEU  91 107.370 -10.464 -10.464
  663   3HD2  LEU  91          2HD2      LEU  91 105.701 -10.602 -10.602
  664    H    ASP  92           H        ASP  92 104.399  -6.243  -6.243
  665    HA   ASP  92           HA       ASP  92 105.216  -7.809  -7.809
  666   1HB   ASP  92          2HB       ASP  92 103.700  -5.273  -5.273
  667   2HB   ASP  92          1HB       ASP  92 104.138  -5.699  -5.699
  668    H    THR  93           H        THR  93 106.611  -4.833  -4.833
  669    HA   THR  93           HA       THR  93 108.126  -4.180  -4.180
  670    HB   THR  93           HB       THR  93 108.172  -3.379  -3.379
  671    HG1  THR  93           HG1      THR  93 107.064  -2.455  -2.455
  672   1HG2  THR  93          2HG2      THR  93 109.959  -2.365  -2.365
  673   2HG2  THR  93          1HG2      THR  93 109.804  -1.608  -1.608
  674   3HG2  THR  93          3HG2      THR  93 110.482  -3.231  -3.231
  675    H    LEU  94           H        LEU  94 108.879  -5.736  -5.736
  676    HA   LEU  94           HA       LEU  94 111.635  -6.253  -6.253
  677   1HB   LEU  94          2HB       LEU  94 109.405  -7.475  -7.475
  678   2HB   LEU  94          1HB       LEU  94 110.987  -8.255  -8.255
  679    HG   LEU  94           HG       LEU  94 111.437  -5.469  -5.469
  680   1HD1  LEU  94          3HD1      LEU  94 109.105  -6.560  -6.560
  681   2HD1  LEU  94          2HD1      LEU  94 110.203  -5.445  -5.445
  682   3HD1  LEU  94          1HD1      LEU  94 109.364  -4.945  -4.945
  683   1HD2  LEU  94          3HD2      LEU  94 111.830  -8.006  -8.006
  684   2HD2  LEU  94          2HD2      LEU  94 113.010  -6.786  -6.786
  685   3HD2  LEU  94          1HD2      LEU  94 111.968  -6.506  -6.506
  686    H    VAL  95           H        VAL  95 108.876  -8.496  -8.496
  687    HA   VAL  95           HA       VAL  95 110.220 -10.661 -10.661
  688    HB   VAL  95           HB       VAL  95 107.578  -9.330  -9.330
  689   1HG1  VAL  95          1HG1      VAL  95 108.863 -11.754 -11.754
  690   2HG1  VAL  95          3HG1      VAL  95 107.120 -11.763 -11.763
  691   3HG1  VAL  95          2HG1      VAL  95 107.844 -10.531 -10.531
  692   1HG2  VAL  95          2HG2      VAL  95 108.372 -10.695 -10.695
  693   2HG2  VAL  95          1HG2      VAL  95 106.709 -10.677 -10.677
  694   3HG2  VAL  95          3HG2      VAL  95 107.774 -12.025 -12.025
  695    H    VAL  96           H        VAL  96 108.978  -7.786  -7.786
  696    HA   VAL  96           HA       VAL  96 109.848  -8.356  -8.356
  697    HB   VAL  96           HB       VAL  96 109.812  -5.723  -5.723
  698   1HG1  VAL  96          2HG1      VAL  96 110.469  -6.433  -6.433
  699   2HG1  VAL  96          1HG1      VAL  96 109.129  -5.294  -5.294
  700   3HG1  VAL  96          3HG1      VAL  96 110.673  -4.892  -4.892
  701   1HG2  VAL  96          2HG2      VAL  96 107.719  -7.405  -7.405
  702   2HG2  VAL  96          1HG2      VAL  96 107.540  -5.651  -5.651
  703   3HG2  VAL  96          3HG2      VAL  96 107.658  -6.554  -6.554
  704    H    LEU  97           H        LEU  97 111.702  -6.466  -6.466
  705    HA   LEU  97           HA       LEU  97 114.114  -6.148  -6.148
  706   1HB   LEU  97          2HB       LEU  97 113.278  -6.444  -6.444
  707   2HB   LEU  97          1HB       LEU  97 115.003  -6.545  -6.545
  708    HG   LEU  97           HG       LEU  97 114.764  -4.378  -4.378
  709   1HD1  LEU  97          3HD1      LEU  97 112.295  -4.553  -4.553
  710   2HD1  LEU  97          2HD1      LEU  97 112.103  -4.283  -4.283
  711   3HD1  LEU  97          1HD1      LEU  97 112.788  -3.018  -3.018
  712   1HD2  LEU  97          1HD2      LEU  97 114.203  -4.521  -4.521
  713   2HD2  LEU  97          3HD2      LEU  97 115.750  -4.240  -4.240
  714   3HD2  LEU  97          2HD2      LEU  97 114.502  -2.991  -2.991
  715    H    HIS  98           H        HIS  98 113.261  -8.849  -8.849
  716    HA   HIS  98           HA       HIS  98 115.559 -10.459 -10.459
  717   1HB   HIS  98          2HB       HIS  98 113.614 -10.524 -10.524
  718   2HB   HIS  98          1HB       HIS  98 112.821 -11.557 -11.557
  719    HD1  HIS  98           HD1      HIS  98 113.181 -13.403 -13.403
  720    HD2  HIS  98           HD2      HIS  98 116.603 -12.152 -12.152
  721    HE1  HIS  98           HE1      HIS  98 114.970 -15.126 -15.126
  722    H    ARG  99           H        ARG  99 112.490 -10.082 -10.082
  723    HA   ARG  99           HA       ARG  99 112.749 -12.404 -12.404
  724   1HB   ARG  99          2HB       ARG  99 111.135  -9.868  -9.868
  725   2HB   ARG  99          1HB       ARG  99 111.053 -10.926 -10.926
  726   1HG   ARG  99          2HG       ARG  99 110.572 -12.839 -12.839
  727   2HG   ARG  99          1HG       ARG  99 110.357 -11.612 -11.612
  728   1HD   ARG  99          2HD       ARG  99 108.160 -11.878 -11.878
  729   2HD   ARG  99          1HD       ARG  99 108.734 -10.515 -10.515
  730    HE   ARG  99           HE       ARG  99 109.088 -12.046 -12.046
  731   1HH1  ARG  99          2HH1      ARG  99 109.854 -14.543 -14.543
  732   2HH1  ARG  99          1HH1      ARG  99 108.425 -15.513 -15.513
  733   1HH2  ARG  99          1HH2      ARG  99 106.343 -12.832 -12.832
  734   2HH2  ARG  99          2HH2      ARG  99 106.438 -14.544 -14.544
  735    H    ALA 100           H        ALA 100 114.388  -9.400  -9.400
  736    HA   ALA 100           HA       ALA 100 115.419  -9.993  -9.993
  737   1HB   ALA 100          3HB       ALA 100 113.502  -8.217  -8.217
  738   2HB   ALA 100          2HB       ALA 100 114.818  -7.184  -7.184
  739   3HB   ALA 100          1HB       ALA 100 114.859  -7.867  -7.867
  740    H    GLY 101           H        GLY 101 117.084 -10.785 -10.785
  741   1HA   GLY 101          2HA       GLY 101 119.115 -10.480 -10.480
  742   2HA   GLY 101          1HA       GLY 101 119.446  -9.364  -9.364
  743    H    ALA 102           H        ALA 102 118.619  -9.639  -9.639
  744    HA   ALA 102           HA       ALA 102 119.305  -6.816  -6.816
  745   1HB   ALA 102          1HB       ALA 102 116.806  -7.102  -7.102
  746   2HB   ALA 102          3HB       ALA 102 116.593  -7.729  -7.729
  747   3HB   ALA 102          2HB       ALA 102 117.181  -6.085  -6.085
  748    H    ARG 103           H        ARG 103 120.774  -7.211  -7.211
  749    HA   ARG 103           HA       ARG 103 120.642  -9.353  -9.353
  750   1HB   ARG 103          2HB       ARG 103 122.631  -7.950  -7.950
  751   2HB   ARG 103          1HB       ARG 103 122.040  -6.687  -6.687
  752   1HG   ARG 103          2HG       ARG 103 122.000  -8.590  -8.590
  753   2HG   ARG 103          1HG       ARG 103 123.102  -9.414  -9.414
  754   1HD   ARG 103          2HD       ARG 103 124.356  -7.066  -7.066
  755   2HD   ARG 103          1HD       ARG 103 123.524  -6.902  -6.902
  756    HE   ARG 103           HE       ARG 103 125.077  -8.459  -8.459
  757   1HH1  ARG 103          2HH1      ARG 103 126.776  -8.363  -8.363
  758   2HH1  ARG 103          1HH1      ARG 103 126.788 -10.025 -10.025
  759   1HH2  ARG 103          1HH2      ARG 103 124.070 -10.893 -10.893
  760   2HH2  ARG 103          2HH2      ARG 103 125.256 -11.462 -11.462
  761    H    LEU 104           H        LEU 104 119.421  -9.510  -9.510
  762    HA   LEU 104           HA       LEU 104 118.188  -6.993  -6.993
  763   1HB   LEU 104          2HB       LEU 104 117.106  -9.809  -9.809
  764   2HB   LEU 104          1HB       LEU 104 116.242  -8.289  -8.289
  765    HG   LEU 104           HG       LEU 104 117.296  -8.162  -8.162
  766   1HD1  LEU 104          3HD1      LEU 104 117.591 -10.654 -10.654
  767   2HD1  LEU 104          2HD1      LEU 104 115.853 -10.787 -10.787
  768   3HD1  LEU 104          1HD1      LEU 104 116.463 -10.186 -10.186
  769   1HD2  LEU 104          2HD2      LEU 104 114.510  -8.782  -8.782
  770   2HD2  LEU 104          1HD2      LEU 104 115.182  -7.177  -7.177
  771   3HD2  LEU 104          3HD2      LEU 104 114.881  -8.259  -8.259
  772    H    ASP 105           H        ASP 105 120.757  -8.634  -8.634
  773    HA   ASP 105           HA       ASP 105 120.133  -8.895  -8.895
  774   1HB   ASP 105          2HB       ASP 105 120.573 -11.023 -11.023
  775   2HB   ASP 105          1HB       ASP 105 122.223 -10.438 -10.438
  776    H    VAL 106           H        VAL 106 120.857  -6.422  -6.422
  777    HA   VAL 106           HA       VAL 106 123.811  -6.275  -6.275
  778    HB   VAL 106           HB       VAL 106 122.739  -5.416  -5.416
  779   1HG1  VAL 106          3HG1      VAL 106 121.754  -3.297  -3.297
  780   2HG1  VAL 106          2HG1      VAL 106 121.731  -3.167  -3.167
  781   3HG1  VAL 106          1HG1      VAL 106 120.750  -4.392  -4.392
  782   1HG2  VAL 106          2HG2      VAL 106 124.933  -4.610  -4.610
  783   2HG2  VAL 106          1HG2      VAL 106 124.426  -3.885  -3.885
  784   3HG2  VAL 106          3HG2      VAL 106 124.026  -3.098  -3.098
  785    H    ARG 107           H        ARG 107 124.161  -3.848  -3.848
  786    HA   ARG 107           HA       ARG 107 122.203  -3.376  -3.376
  787   1HB   ARG 107          2HB       ARG 107 124.207  -3.179  -3.179
  788   2HB   ARG 107          1HB       ARG 107 123.947  -4.808  -4.808
  789   1HG   ARG 107          2HG       ARG 107 126.063  -4.766  -4.766
  790   2HG   ARG 107          1HG       ARG 107 125.555  -3.528  -3.528
  791   1HD   ARG 107          2HD       ARG 107 126.077  -1.765  -1.765
  792   2HD   ARG 107          1HD       ARG 107 126.579  -3.002  -3.002
  793    HE   ARG 107           HE       ARG 107 127.935  -2.506  -2.506
  794   1HH1  ARG 107          2HH1      ARG 107 128.784  -2.133  -2.133
  795   2HH1  ARG 107          1HH1      ARG 107 129.997  -3.365  -3.365
  796   1HH2  ARG 107          1HH2      ARG 107 129.074  -4.838  -4.838
  797   2HH2  ARG 107          2HH2      ARG 107 130.164  -4.897  -4.897
  798    H    ASP 108           H        ASP 108 121.736  -1.227  -1.227
  799    HA   ASP 108           HA       ASP 108 122.717   0.779   0.779
  800   1HB   ASP 108          2HB       ASP 108 121.631   0.906   0.906
  801   2HB   ASP 108          1HB       ASP 108 121.754   2.295   2.295
  802    H    ALA 109           H        ALA 109 124.321   2.428   2.428
  803    HA   ALA 109           HA       ALA 109 126.846   1.791   1.791
  804   1HB   ALA 109          2HB       ALA 109 126.192   3.775   3.775
  805   2HB   ALA 109          1HB       ALA 109 125.489   4.502   4.502
  806   3HB   ALA 109          3HB       ALA 109 127.227   4.222   4.222
  807    H    TRP 110           H        TRP 110 124.187   3.122   3.122
  808    HA   TRP 110           HA       TRP 110 125.650   3.715   3.715
  809   1HB   TRP 110          2HB       TRP 110 122.815   2.793   2.793
  810   2HB   TRP 110          1HB       TRP 110 123.356   3.277   3.277
  811    HD1  TRP 110           HD1      TRP 110 124.345   5.848   5.848
  812    HE1  TRP 110           HE1      TRP 110 123.586   7.971   7.971
  813    HE3  TRP 110           HE3      TRP 110 121.848   3.722   3.722
  814    HZ2  TRP 110           HZ2      TRP 110 122.108   8.668   8.668
  815    HZ3  TRP 110           HZ3      TRP 110 120.776   5.126   5.126
  816    HH2  TRP 110           HH2      TRP 110 120.906   7.593   7.593
  817    H    GLY 111           H        GLY 111 123.406   0.970   0.970
  818   1HA   GLY 111          2HA       GLY 111 125.149  -1.177  -1.177
  819   2HA   GLY 111          1HA       GLY 111 124.932  -0.553  -0.553
  820    H    ARG 112           H        ARG 112 122.378  -0.359  -0.359
  821    HA   ARG 112           HA       ARG 112 120.763  -2.215  -2.215
  822   1HB   ARG 112          2HB       ARG 112 120.297   0.336   0.336
  823   2HB   ARG 112          1HB       ARG 112 119.627  -0.385  -0.385
  824   1HG   ARG 112          2HG       ARG 112 117.749  -0.886  -0.886
  825   2HG   ARG 112          1HG       ARG 112 118.683  -1.928  -1.928
  826   1HD   ARG 112          2HD       ARG 112 118.323  -0.478  -0.478
  827   2HD   ARG 112          1HD       ARG 112 119.155   0.795   0.795
  828    HE   ARG 112           HE       ARG 112 116.554   0.461   0.461
  829   1HH1  ARG 112          2HH1      ARG 112 117.857   3.045   3.045
  830   2HH1  ARG 112          1HH1      ARG 112 116.737   3.514   3.514
  831   1HH2  ARG 112          1HH2      ARG 112 115.239   0.393   0.393
  832   2HH2  ARG 112          2HH2      ARG 112 115.263   2.014   2.014
  833    H    LEU 113           H        LEU 113 118.740  -2.803  -2.803
  834    HA   LEU 113           HA       LEU 113 119.965  -4.009  -4.009
  835   1HB   LEU 113          2HB       LEU 113 119.444  -5.358  -5.358
  836   2HB   LEU 113          1HB       LEU 113 118.268  -5.933  -5.933
  837    HG   LEU 113           HG       LEU 113 120.596  -5.891  -5.891
  838   1HD1  LEU 113          3HD1      LEU 113 121.276  -6.051  -6.051
  839   2HD1  LEU 113          2HD1      LEU 113 121.863  -7.442  -7.442
  840   3HD1  LEU 113          1HD1      LEU 113 122.327  -5.811  -5.811
  841   1HD2  LEU 113          2HD2      LEU 113 118.672  -7.692  -7.692
  842   2HD2  LEU 113          1HD2      LEU 113 120.139  -8.127  -8.127
  843   3HD2  LEU 113          3HD2      LEU 113 120.037  -8.389  -8.389
  844    HA   PRO 114           HA       PRO 114 116.019  -3.020  -3.020
  845   1HB   PRO 114          2HB       PRO 114 115.601  -5.127  -5.127
  846   2HB   PRO 114          1HB       PRO 114 116.753  -3.823  -3.823
  847   1HG   PRO 114          2HG       PRO 114 117.257  -6.554  -6.554
  848   2HG   PRO 114          1HG       PRO 114 118.177  -5.642  -5.642
  849   1HD   PRO 114          2HD       PRO 114 118.983  -5.827  -5.827
  850   2HD   PRO 114          1HD       PRO 114 119.261  -4.365  -4.365
  851    H    VAL 115           H        VAL 115 116.432  -6.326  -6.326
  852    HA   VAL 115           HA       VAL 115 113.562  -6.833  -6.833
  853    HB   VAL 115           HB       VAL 115 115.491  -8.498  -8.498
  854   1HG1  VAL 115          1HG1      VAL 115 116.911  -7.558  -7.558
  855   2HG1  VAL 115          3HG1      VAL 115 115.717  -8.104  -8.104
  856   3HG1  VAL 115          2HG1      VAL 115 116.601  -9.279  -9.279
  857   1HG2  VAL 115          2HG2      VAL 115 113.124  -9.073  -9.073
  858   2HG2  VAL 115          1HG2      VAL 115 114.319 -10.227 -10.227
  859   3HG2  VAL 115          3HG2      VAL 115 113.619  -9.039  -9.039
  860    H    ASP 116           H        ASP 116 116.152  -5.805  -5.805
  861    HA   ASP 116           HA       ASP 116 114.634  -5.923  -5.923
  862   1HB   ASP 116          2HB       ASP 116 117.210  -5.054  -5.054
  863   2HB   ASP 116          1HB       ASP 116 116.550  -3.824  -3.824
  864    H    LEU 117           H        LEU 117 115.203  -3.277  -3.277
  865    HA   LEU 117           HA       LEU 117 113.913  -1.153  -1.153
  866   1HB   LEU 117          2HB       LEU 117 114.673  -1.950  -1.950
  867   2HB   LEU 117          1HB       LEU 117 113.227  -0.940  -0.940
  868    HG   LEU 117           HG       LEU 117 115.775  -0.238  -0.238
  869   1HD1  LEU 117          1HD1      LEU 117 115.447  -0.281  -0.281
  870   2HD1  LEU 117          3HD1      LEU 117 115.021   1.380   1.380
  871   3HD1  LEU 117          2HD1      LEU 117 116.597   0.734   0.734
  872   1HD2  LEU 117          1HD2      LEU 117 113.138   1.130   1.130
  873   2HD2  LEU 117          3HD2      LEU 117 113.994   0.942   0.942
  874   3HD2  LEU 117          2HD2      LEU 117 114.590   2.078   2.078
  875    H    ALA 118           H        ALA 118 112.494  -3.771  -3.771
  876    HA   ALA 118           HA       ALA 118 109.782  -2.797  -2.797
  877   1HB   ALA 118          3HB       ALA 118 110.899  -4.493  -4.493
  878   2HB   ALA 118          2HB       ALA 118 110.786  -5.644  -5.644
  879   3HB   ALA 118          1HB       ALA 118 109.319  -4.976  -4.976
  880    H    GLU 119           H        GLU 119 111.697  -4.879  -4.879
  881    HA   GLU 119           HA       GLU 119 109.503  -5.814  -5.814
  882   1HB   GLU 119          2HB       GLU 119 112.416  -5.420  -5.420
  883   2HB   GLU 119          1HB       GLU 119 111.278  -6.567  -6.567
  884   1HG   GLU 119          2HG       GLU 119 111.368  -6.923  -6.923
  885   2HG   GLU 119          1HG       GLU 119 112.992  -7.014  -7.014
  886    H    GLU 120           H        GLU 120 111.219  -2.803  -2.803
  887    HA   GLU 120           HA       GLU 120 110.467  -1.929  -1.929
  888   1HB   GLU 120          2HB       GLU 120 112.590  -1.344  -1.344
  889   2HB   GLU 120          1HB       GLU 120 111.575  -0.318  -0.318
  890   1HG   GLU 120          2HG       GLU 120 110.796   0.854   0.854
  891   2HG   GLU 120          1HG       GLU 120 111.995  -0.071  -0.071
  892    H    LEU 121           H        LEU 121 109.794  -0.739  -0.739
  893    HA   LEU 121           HA       LEU 121 107.694   1.057   1.057
  894   1HB   LEU 121          2HB       LEU 121 108.681  -0.478  -0.478
  895   2HB   LEU 121          1HB       LEU 121 107.061   0.203   0.203
  896    HG   LEU 121           HG       LEU 121 108.075   2.412   2.412
  897   1HD1  LEU 121          3HD1      LEU 121 110.468   0.668   0.668
  898   2HD1  LEU 121          2HD1      LEU 121 110.662   2.236   2.236
  899   3HD1  LEU 121          1HD1      LEU 121 110.185   2.153   2.153
  900   1HD2  LEU 121          1HD2      LEU 121 108.789   1.061   1.061
  901   2HD2  LEU 121          3HD2      LEU 121 107.491   2.210   2.210
  902   3HD2  LEU 121          2HD2      LEU 121 109.166   2.760   2.760
  903    H    GLY 122           H        GLY 122 106.934  -1.861  -1.861
  904   1HA   GLY 122          2HA       GLY 122 105.403  -3.340  -3.340
  905   2HA   GLY 122          1HA       GLY 122 104.313  -2.073  -2.073
  906    H    HIS 123           H        HIS 123 106.891  -3.709  -3.709
  907    HA   HIS 123           HA       HIS 123 104.778  -4.674  -4.674
  908   1HB   HIS 123          2HB       HIS 123 107.698  -4.222  -4.222
  909   2HB   HIS 123          1HB       HIS 123 106.338  -4.243  -4.243
  910    HD1  HIS 123           HD1      HIS 123 104.433  -2.249  -2.249
  911    HD2  HIS 123           HD2      HIS 123 108.486  -1.631  -1.631
  912    HE1  HIS 123           HE1      HIS 123 104.730   0.244   0.244
  913    H    ARG 124           H        ARG 124 105.460  -6.236  -6.236
  914    HA   ARG 124           HA       ARG 124 107.515  -8.104  -8.104
  915   1HB   ARG 124          2HB       ARG 124 105.406  -7.780  -7.780
  916   2HB   ARG 124          1HB       ARG 124 104.685  -8.994  -8.994
  917   1HG   ARG 124          2HG       ARG 124 106.896 -10.320 -10.320
  918   2HG   ARG 124          1HG       ARG 124 107.058  -9.259  -9.259
  919   1HD   ARG 124          2HD       ARG 124 104.390 -10.528 -10.528
  920   2HD   ARG 124          1HD       ARG 124 105.710 -11.583 -11.583
  921    HE   ARG 124           HE       ARG 124 104.858  -9.096  -9.096
  922   1HH1  ARG 124          2HH1      ARG 124 107.692  -9.973  -9.973
  923   2HH1  ARG 124          1HH1      ARG 124 107.525 -10.984 -10.984
  924   1HH2  ARG 124          1HH2      ARG 124 104.092 -11.337 -11.337
  925   2HH2  ARG 124          2HH2      ARG 124 105.487 -11.761 -11.761
  926    H    ASP 125           H        ASP 125 104.535  -8.037  -8.037
  927    HA   ASP 125           HA       ASP 125 104.807 -10.576 -10.576
  928   1HB   ASP 125          2HB       ASP 125 103.645  -7.994  -7.994
  929   2HB   ASP 125          1HB       ASP 125 103.186  -9.637  -9.637
  930    H    VAL 126           H        VAL 126 106.095  -7.354  -7.354
  931    HA   VAL 126           HA       VAL 126 107.352  -8.231  -8.231
  932    HB   VAL 126           HB       VAL 126 108.019  -5.692  -5.692
  933   1HG1  VAL 126          3HG1      VAL 126 107.890  -6.653  -6.653
  934   2HG1  VAL 126          2HG1      VAL 126 107.763  -4.928  -4.928
  935   3HG1  VAL 126          1HG1      VAL 126 109.200  -5.825  -5.825
  936   1HG2  VAL 126          3HG2      VAL 126 105.455  -6.347  -6.347
  937   2HG2  VAL 126          2HG2      VAL 126 105.598  -5.775  -5.775
  938   3HG2  VAL 126          1HG2      VAL 126 105.991  -4.701  -4.701
  939    H    ALA 127           H        ALA 127 108.292  -7.641  -7.641
  940    HA   ALA 127           HA       ALA 127 111.141  -7.964  -7.964
  941   1HB   ALA 127          2HB       ALA 127 109.420  -7.173  -7.173
  942   2HB   ALA 127          1HB       ALA 127 109.886  -8.775  -8.775
  943   3HB   ALA 127          3HB       ALA 127 111.121  -7.552  -7.552
  944    H    ARG 128           H        ARG 128 108.453 -10.193 -10.193
  945    HA   ARG 128           HA       ARG 128 109.914 -12.525 -12.525
  946   1HB   ARG 128          2HB       ARG 128 107.470 -12.256 -12.256
  947   2HB   ARG 128          1HB       ARG 128 107.378 -12.192 -12.192
  948   1HG   ARG 128          2HG       ARG 128 108.067 -14.455 -14.455
  949   2HG   ARG 128          1HG       ARG 128 108.609 -14.536 -14.536
  950   1HD   ARG 128          2HD       ARG 128 106.383 -15.674 -15.674
  951   2HD   ARG 128          1HD       ARG 128 106.310 -14.384 -14.384
  952    HE   ARG 128           HE       ARG 128 105.382 -12.894 -12.894
  953   1HH1  ARG 128          1HH2      ARG 128 104.315 -16.000 -16.000
  954   2HH1  ARG 128          2HH2      ARG 128 103.757 -16.073 -16.073
  955   1HH2  ARG 128          2HH1      ARG 128 105.228 -13.067 -13.067
  956   2HH2  ARG 128          1HH1      ARG 128 104.263 -14.407 -14.407
  957    H    TYR 129           H        TYR 129 108.525 -11.893 -11.893
  958    HA   TYR 129           HA       TYR 129 109.995 -13.825 -13.825
  959   1HB   TYR 129          2HB       TYR 129 108.180 -12.689 -12.689
  960   2HB   TYR 129          1HB       TYR 129 108.859 -11.102 -11.102
  961    HD1  TYR 129           HD1      TYR 129 110.423 -14.179 -14.179
  962    HD2  TYR 129           HD2      TYR 129 109.344 -10.064 -10.064
  963    HE1  TYR 129           HE1      TYR 129 111.621 -14.175 -14.175
  964    HE2  TYR 129           HE2      TYR 129 110.536 -10.060 -10.060
  965    HH   TYR 129           HH       TYR 129 111.598 -11.319 -11.319
  966    H    LEU 130           H        LEU 130 111.001 -10.727 -10.727
  967    HA   LEU 130           HA       LEU 130 113.406 -10.430 -10.430
  968   1HB   LEU 130          2HB       LEU 130 112.069  -9.184  -9.184
  969   2HB   LEU 130          1HB       LEU 130 113.815  -8.957  -8.957
  970    HG   LEU 130           HG       LEU 130 111.886  -8.393  -8.393
  971   1HD1  LEU 130          1HD1      LEU 130 113.138  -6.625  -6.625
  972   2HD1  LEU 130          3HD1      LEU 130 112.551  -5.983  -5.983
  973   3HD1  LEU 130          2HD1      LEU 130 111.433  -6.774  -6.774
  974   1HD2  LEU 130          2HD2      LEU 130 114.849  -8.274  -8.274
  975   2HD2  LEU 130          1HD2      LEU 130 113.914  -8.670  -8.670
  976   3HD2  LEU 130          3HD2      LEU 130 114.099  -6.988  -6.988
  977    H    ARG 131           H        ARG 131 112.981 -11.230 -11.230
  978    HA   ARG 131           HA       ARG 131 115.591 -11.913 -11.913
  979   1HB   ARG 131          2HB       ARG 131 113.218 -11.977 -11.977
  980   2HB   ARG 131          1HB       ARG 131 113.362 -13.703 -13.703
  981   1HG   ARG 131          2HG       ARG 131 114.617 -13.815 -13.815
  982   2HG   ARG 131          1HG       ARG 131 115.884 -13.025 -13.025
  983   1HD   ARG 131          2HD       ARG 131 115.318 -10.869 -10.869
  984   2HD   ARG 131          1HD       ARG 131 113.747 -11.434 -11.434
  985    HE   ARG 131           HE       ARG 131 115.238 -13.018 -13.018
  986   1HH1  ARG 131          2HH1      ARG 131 117.478 -11.053 -11.053
  987   2HH1  ARG 131          1HH1      ARG 131 117.836 -10.170 -10.170
  988   1HH2  ARG 131          1HH2      ARG 131 115.091 -11.359 -11.359
  989   2HH2  ARG 131          2HH2      ARG 131 116.499 -10.353 -10.353
  990    H    ALA 132           H        ALA 132 113.422 -13.670 -13.670
  991    HA   ALA 132           HA       ALA 132 114.933 -16.173 -16.173
  992   1HB   ALA 132          2HB       ALA 132 112.578 -14.965 -14.965
  993   2HB   ALA 132          1HB       ALA 132 113.380 -16.295 -16.295
  994   3HB   ALA 132          3HB       ALA 132 112.731 -16.536 -16.536
  995    H    ALA 133           H        ALA 133 114.463 -13.546 -13.546
  996    HA   ALA 133           HA       ALA 133 116.621 -14.569 -14.569
  997   1HB   ALA 133          1HB       ALA 133 114.369 -12.756 -12.756
  998   2HB   ALA 133          3HB       ALA 133 115.814 -11.964 -11.964
  999   3HB   ALA 133          2HB       ALA 133 115.271 -13.490 -13.490
 1000    H    ALA 134           H        ALA 134 116.383 -12.471 -12.471
 1001    HA   ALA 134           HA       ALA 134 118.801 -10.907 -10.907
 1002   1HB   ALA 134          3HB       ALA 134 116.468 -10.225 -10.225
 1003   2HB   ALA 134          2HB       ALA 134 117.366 -10.647 -10.647
 1004   3HB   ALA 134          1HB       ALA 134 117.972  -9.388  -9.388
 1005    H    GLY 135           H        GLY 135 119.588 -13.501 -13.501
 1006   1HA   GLY 135          2HA       GLY 135 121.660 -14.035 -14.035
 1007   2HA   GLY 135          1HA       GLY 135 120.738 -13.581 -13.581
 1008    H    GLY 136           H        GLY 136 121.971 -16.211 -16.211
 1009   1HA   GLY 136          2HA       GLY 136 119.742 -18.022 -18.022
 1010   2HA   GLY 136          1HA       GLY 136 121.418 -18.493 -18.493
 1011    H    THR 137           H        THR 137 121.890 -17.188 -17.188
 1012    HA   THR 137           HA       THR 137 121.029 -18.975 -18.975
 1013    HB   THR 137           HB       THR 137 122.842 -17.337 -17.337
 1014    HG1  THR 137           HG1      THR 137 122.435 -16.877 -16.877
 1015   1HG2  THR 137          3HG2      THR 137 121.508 -15.517 -15.517
 1016   2HG2  THR 137          2HG2      THR 137 120.735 -15.201 -15.201
 1017   3HG2  THR 137          1HG2      THR 137 122.476 -14.996 -14.996
 1018    H    ARG 138           H        ARG 138 119.182 -19.176 -19.176
 1019    HA   ARG 138           HA       ARG 138 117.177 -16.984 -16.984
 1020   1HB   ARG 138          2HB       ARG 138 117.100 -19.335 -19.335
 1021   2HB   ARG 138          1HB       ARG 138 115.712 -19.310 -19.310
 1022   1HG   ARG 138          2HG       ARG 138 114.769 -17.546 -17.546
 1023   2HG   ARG 138          1HG       ARG 138 116.304 -16.681 -16.681
 1024   1HD   ARG 138          2HD       ARG 138 116.309 -17.170 -17.170
 1025   2HD   ARG 138          1HD       ARG 138 116.607 -18.858 -18.858
 1026    HE   ARG 138           HE       ARG 138 113.792 -18.039 -18.039
 1027   1HH1  ARG 138          1HH2      ARG 138 116.093 -18.671 -18.671
 1028   2HH1  ARG 138          2HH2      ARG 138 115.112 -19.823 -19.823
 1029   1HH2  ARG 138          2HH1      ARG 138 112.606 -19.842 -19.842
 1030   2HH2  ARG 138          1HH1      ARG 138 113.151 -20.487 -20.487
 1031    H    GLY 139           H        GLY 139 118.382 -17.491 -17.491
 1032   1HA   GLY 139          2HA       GLY 139 116.882 -19.642 -19.642
 1033   2HA   GLY 139          1HA       GLY 139 118.383 -18.906 -18.906
 1034    H    SER 140           H        SER 140 115.201 -18.997 -18.997
 1035    HA   SER 140           HA       SER 140 114.652 -16.158 -16.158
 1036   1HB   SER 140          2HB       SER 140 112.961 -17.858 -17.858
 1037   2HB   SER 140          1HB       SER 140 112.588 -17.071 -17.071
 1038    HG   SER 140           HG       SER 140 112.615 -19.550 -19.550
 1039    H    ASN 141           H        ASN 141 115.206 -18.945 -18.945
 1040    HA   ASN 141           HA       ASN 141 115.845 -16.997 -16.997
 1041   1HB   ASN 141          2HB       ASN 141 114.116 -18.781 -18.781
 1042   2HB   ASN 141          1HB       ASN 141 115.374 -19.994 -19.994
 1043   1HD2  ASN 141          1HD2      ASN 141 116.623 -20.567 -20.567
 1044   2HD2  ASN 141          2HD2      ASN 141 116.604 -19.730 -19.730
 1045    H    HIS 142           H        HIS 142 117.762 -17.417 -17.417
 1046    HA   HIS 142           HA       HIS 142 119.889 -18.943 -18.943
 1047   1HB   HIS 142          2HB       HIS 142 118.859 -19.427 -19.427
 1048   2HB   HIS 142          1HB       HIS 142 120.151 -18.306 -18.306
 1049    HD1  HIS 142           HD1      HIS 142 122.053 -19.730 -19.730
 1050    HD2  HIS 142           HD2      HIS 142 120.286 -21.231 -21.231
 1051    HE1  HIS 142           HE1      HIS 142 123.475 -21.692 -21.692
 1052    H    ALA 143           H        ALA 143 122.058 -17.932 -17.932
 1053    HA   ALA 143           HA       ALA 143 122.088 -15.056 -15.056
 1054   1HB   ALA 143          3HB       ALA 143 122.087 -16.172 -16.172
 1055   2HB   ALA 143          2HB       ALA 143 123.716 -15.562 -15.562
 1056   3HB   ALA 143          1HB       ALA 143 122.332 -14.484 -14.484
 1057    H    ARG 144           H        ARG 144 123.639 -14.908 -14.908
 1058    HA   ARG 144           HA       ARG 144 125.683 -16.784 -16.784
 1059   1HB   ARG 144          2HB       ARG 144 125.119 -13.889 -13.889
 1060   2HB   ARG 144          1HB       ARG 144 126.708 -14.517 -14.517
 1061   1HG   ARG 144          2HG       ARG 144 125.879 -15.885 -15.885
 1062   2HG   ARG 144          1HG       ARG 144 124.340 -16.129 -16.129
 1063   1HD   ARG 144          2HD       ARG 144 123.947 -14.736 -14.736
 1064   2HD   ARG 144          1HD       ARG 144 123.768 -13.715 -13.715
 1065    HE   ARG 144           HE       ARG 144 126.511 -13.679 -13.679
 1066   1HH1  ARG 144          2HH1      ARG 144 125.031 -11.170 -11.170
 1067   2HH1  ARG 144          1HH1      ARG 144 124.908 -10.464 -10.464
 1068   1HH2  ARG 144          1HH2      ARG 144 125.654 -13.406 -13.406
 1069   2HH2  ARG 144          2HH2      ARG 144 125.267 -11.724 -11.724
 1070    H    ILE 145           H        ILE 145 128.141 -15.764 -15.764
 1071    HA   ILE 145           HA       ILE 145 128.951 -15.850 -15.850
 1072    HB   ILE 145           HB       ILE 145 130.292 -16.668 -16.668
 1073   1HG1  ILE 145          2HG1      ILE 145 132.434 -15.241 -15.241
 1074   2HG1  ILE 145          1HG1      ILE 145 131.374 -14.545 -14.545
 1075   1HG2  ILE 145          2HG2      ILE 145 130.351 -13.724 -13.724
 1076   2HG2  ILE 145          1HG2      ILE 145 131.488 -14.900 -14.900
 1077   3HG2  ILE 145          3HG2      ILE 145 129.763 -15.061 -15.061
 1078   1HD1  ILE 145          2HD1      ILE 145 131.026 -17.395 -17.395
 1079   2HD1  ILE 145          1HD1      ILE 145 132.750 -17.036 -17.036
 1080   3HD1  ILE 145          3HD1      ILE 145 131.649 -16.360 -16.360
 1081    H    ASP 146           H        ASP 146 129.569 -14.151 -14.151
 1082    HA   ASP 146           HA       ASP 146 128.350 -11.679 -11.679
 1083   1HB   ASP 146          2HB       ASP 146 130.207 -11.012 -11.012
 1084   2HB   ASP 146          1HB       ASP 146 129.605 -12.632 -12.632
 1085    H    ALA 147           H        ALA 147 128.337 -10.540 -10.540
 1086    HA   ALA 147           HA       ALA 147 130.949  -9.303  -9.303
 1087   1HB   ALA 147          3HB       ALA 147 130.262 -11.435 -11.435
 1088   2HB   ALA 147          2HB       ALA 147 129.057 -10.394 -10.394
 1089   3HB   ALA 147          1HB       ALA 147 130.774 -10.019 -10.019
 1090    H    ALA 148           H        ALA 148 129.357  -7.689  -7.689
 1091    HA   ALA 148           HA       ALA 148 127.087  -6.482  -6.482
 1092   1HB   ALA 148          1HB       ALA 148 128.769  -6.026  -6.026
 1093   2HB   ALA 148          3HB       ALA 148 129.189  -4.664  -4.664
 1094   3HB   ALA 148          2HB       ALA 148 127.524  -4.882  -4.882
 1095    H    GLU 149           H        GLU 149 126.795  -5.682  -5.682
 1096    HA   GLU 149           HA       GLU 149 129.165  -4.694  -4.694
 1097   1HB   GLU 149          2HB       GLU 149 127.317  -6.494  -6.494
 1098   2HB   GLU 149          1HB       GLU 149 126.432  -5.053  -5.053
 1099   1HG   GLU 149          2HG       GLU 149 127.590  -5.334  -5.334
 1100   2HG   GLU 149          1HG       GLU 149 128.877  -4.515  -4.515
 1101    H    GLY 150           H        GLY 150 129.435  -2.516  -2.516
 1102   1HA   GLY 150          2HA       GLY 150 127.789  -0.564  -0.564
 1103   2HA   GLY 150          1HA       GLY 150 127.257  -0.702  -0.702
 1104    HA   PRO 151           HA       PRO 151 130.611   2.300   2.300
 1105   1HB   PRO 151          2HB       PRO 151 129.754   3.417   3.417
 1106   2HB   PRO 151          1HB       PRO 151 129.074   3.856   3.856
 1107   1HG   PRO 151          2HG       PRO 151 127.981   2.052   2.052
 1108   2HG   PRO 151          1HG       PRO 151 127.138   3.185   3.185
 1109   1HD   PRO 151          2HD       PRO 151 127.221   0.479   0.479
 1110   2HD   PRO 151          1HD       PRO 151 126.991   1.667   1.667
 1111    H    SER 152           H        SER 152 132.512   2.239   2.239
 1112    HA   SER 152           HA       SER 152 133.141  -0.140  -0.140
 1113   1HB   SER 152          2HB       SER 152 135.104   1.360   1.360
 1114   2HB   SER 152          1HB       SER 152 134.876   1.170   1.170
 1115    HG   SER 152           HG       SER 152 134.405   3.369   3.369
 1116    H    ASP 153           H        ASP 153 133.814  -0.113  -0.113
 1117    HA   ASP 153           HA       ASP 153 133.321   0.267   0.267
 1118   1HB   ASP 153          2HB       ASP 153 133.465   2.729   2.729
 1119   2HB   ASP 153          1HB       ASP 153 131.892   2.797   2.797
 1120    H    ILE 154           H        ILE 154 131.609  -0.449  -0.449
 1121    HA   ILE 154           HA       ILE 154 128.847  -0.258  -0.258
 1122    HB   ILE 154           HB       ILE 154 130.309  -2.571  -2.571
 1123   1HG1  ILE 154          2HG1      ILE 154 129.041  -3.389  -3.389
 1124   2HG1  ILE 154          1HG1      ILE 154 129.629  -1.773  -1.773
 1125   1HG2  ILE 154          1HG2      ILE 154 127.367  -2.127  -2.127
 1126   2HG2  ILE 154          3HG2      ILE 154 128.044  -3.755  -3.755
 1127   3HG2  ILE 154          2HG2      ILE 154 128.154  -2.755  -2.755
 1128   1HD1  ILE 154          2HD1      ILE 154 131.558  -3.449  -3.449
 1129   2HD1  ILE 154          1HD1      ILE 154 131.157  -4.040  -4.040
 1130   3HD1  ILE 154          3HD1      ILE 154 131.808  -2.412  -2.412
 1131    HA   PRO 155           HA       PRO 155 128.928   1.505   1.505
 1132   1HB   PRO 155          2HB       PRO 155 127.234   3.578   3.578
 1133   2HB   PRO 155          1HB       PRO 155 128.982   3.654   3.654
 1134   1HG   PRO 155          2HG       PRO 155 126.764   3.179   3.179
 1135   2HG   PRO 155          1HG       PRO 155 128.264   4.095   4.095
 1136   1HD   PRO 155          2HD       PRO 155 127.866   1.566   1.566
 1137   2HD   PRO 155          1HD       PRO 155 129.463   2.241   2.241
 1138    H    ASP 156           HN       ASP 156 127.621   0.249   0.249
 1139    HA   ASP 156           HA       ASP 156 125.131  -0.905  -0.905
 1140   1HB   ASP 156          2HB       ASP 156 126.880  -0.680  -0.680
 1141   2HB   ASP 156          1HB       ASP 156 125.198  -0.549  -0.549

  Start of MODEL    2
    1   1H    MET   1          1H        MET   1 130.135  35.064  35.064
    2   2H    MET   1          3H        MET   1 128.803  35.281  35.281
    3   3H    MET   1          2H        MET   1 130.064  36.421  36.421
    4    HA   MET   1           HA       MET   1 129.516  37.127  37.127
    5   1HB   MET   1          2HB       MET   1 128.396  38.174  38.174
    6   2HB   MET   1          1HB       MET   1 127.211  36.873  36.873
    7   1HG   MET   1          2HG       MET   1 126.109  38.645  38.645
    8   2HG   MET   1          1HG       MET   1 126.590  37.518  37.518
    9   1HE   MET   1          3HE       MET   1 125.990  40.564  40.564
   10   2HE   MET   1          2HE       MET   1 126.759  41.609  41.609
   11   3HE   MET   1          1HE       MET   1 127.479  41.425  41.425
   12    H    GLU   2           H        GLU   2 126.628  35.269  35.269
   13    HA   GLU   2           HA       GLU   2 126.534  34.146  34.146
   14   1HB   GLU   2          2HB       GLU   2 124.544  35.081  35.081
   15   2HB   GLU   2          1HB       GLU   2 124.043  33.837  33.837
   16   1HG   GLU   2          2HG       GLU   2 125.267  35.568  35.568
   17   2HG   GLU   2          1HG       GLU   2 124.684  36.697  36.697
   18    HA   PRO   3           HA       PRO   3 127.361  30.559  30.559
   19   1HB   PRO   3          2HB       PRO   3 129.062  29.292  29.292
   20   2HB   PRO   3          1HB       PRO   3 129.607  30.529  30.529
   21   1HG   PRO   3          2HG       PRO   3 129.020  30.779  30.779
   22   2HG   PRO   3          1HG       PRO   3 130.328  31.499  31.499
   23   1HD   PRO   3          2HD       PRO   3 128.117  32.880  32.880
   24   2HD   PRO   3          1HD       PRO   3 129.014  33.231  33.231
   25    H    ALA   4           H        ALA   4 127.231  28.105  28.105
   26    HA   ALA   4           HA       ALA   4 125.787  26.457  26.457
   27   1HB   ALA   4          1HB       ALA   4 126.865  28.190  28.190
   28   2HB   ALA   4          3HB       ALA   4 125.450  27.250  27.250
   29   3HB   ALA   4          2HB       ALA   4 126.888  26.432  26.432
   30    H    ALA   5           H        ALA   5 123.851  26.962  26.962
   31    HA   ALA   5           HA       ALA   5 121.623  27.885  27.885
   32   1HB   ALA   5          1HB       ALA   5 122.871  29.966  29.966
   33   2HB   ALA   5          3HB       ALA   5 122.395  29.535  29.535
   34   3HB   ALA   5          2HB       ALA   5 121.163  29.911  29.911
   35    H    GLY   6           H        GLY   6 119.720  27.018  27.018
   36   1HA   GLY   6          2HA       GLY   6 118.330  26.477  26.477
   37   2HA   GLY   6          1HA       GLY   6 119.806  25.895  25.895
   38    H    SER   7           H        SER   7 120.966  24.317  24.317
   39    HA   SER   7           HA       SER   7 119.577  21.859  21.859
   40   1HB   SER   7          2HB       SER   7 121.218  21.327  21.327
   41   2HB   SER   7          1HB       SER   7 121.910  21.869  21.869
   42    HG   SER   7           HG       SER   7 122.725  23.452  23.452
   43    H    SER   8           H        SER   8 118.962  20.608  20.608
   44    HA   SER   8           HA       SER   8 117.093  22.371  22.371
   45   1HB   SER   8          2HB       SER   8 116.555  20.232  20.232
   46   2HB   SER   8          1HB       SER   8 116.891  19.394  19.394
   47    HG   SER   8           HG       SER   8 115.394  21.050  21.050
   48    H    MET   9           H        MET   9 119.323  19.603  19.603
   49    HA   MET   9           HA       MET   9 120.618  18.949  18.949
   50   1HB   MET   9          2HB       MET   9 120.575  21.698  21.698
   51   2HB   MET   9          1HB       MET   9 119.942  21.351  21.351
   52   1HG   MET   9          2HG       MET   9 121.983  19.597  19.597
   53   2HG   MET   9          1HG       MET   9 122.643  20.816  20.816
   54   1HE   MET   9          2HE       MET   9 122.400  23.279  23.279
   55   2HE   MET   9          1HE       MET   9 123.077  23.946  23.946
   56   3HE   MET   9          3HE       MET   9 124.024  22.818  22.818
   57    H    GLU  10           H        GLU  10 120.322  18.631  18.631
   58    HA   GLU  10           HA       GLU  10 119.016  17.707  17.707
   59   1HB   GLU  10          2HB       GLU  10 117.833  20.113  20.113
   60   2HB   GLU  10          1HB       GLU  10 116.508  18.979  18.979
   61   1HG   GLU  10          2HG       GLU  10 117.710  18.463  18.463
   62   2HG   GLU  10          1HG       GLU  10 118.527  20.002  20.002
   63    HA   PRO  11           HA       PRO  11 117.075  14.861  14.861
   64   1HB   PRO  11          2HB       PRO  11 118.461  12.628  12.628
   65   2HB   PRO  11          1HB       PRO  11 119.067  13.767  13.767
   66   1HG   PRO  11          2HG       PRO  11 119.764  13.541  13.541
   67   2HG   PRO  11          1HG       PRO  11 120.816  13.849  13.849
   68   1HD   PRO  11          2HD       PRO  11 119.985  15.811  15.811
   69   2HD   PRO  11          1HD       PRO  11 120.309  16.089  16.089
   70    H    SER  12           H        SER  12 115.727  12.918  12.918
   71    HA   SER  12           HA       SER  12 114.263  13.225  13.225
   72   1HB   SER  12          2HB       SER  12 114.149  10.638  10.638
   73   2HB   SER  12          1HB       SER  12 112.847  11.751  11.751
   74    HG   SER  12           HG       SER  12 114.364  11.544  11.544
   75    H    ALA  13           H        ALA  13 114.826  12.459  12.459
   76    HA   ALA  13           HA       ALA  13 115.852   9.825   9.825
   77   1HB   ALA  13          3HB       ALA  13 117.739  11.895  11.895
   78   2HB   ALA  13          2HB       ALA  13 118.124  11.264  11.264
   79   3HB   ALA  13          1HB       ALA  13 118.015  10.168  10.168
   80    H    ASP  14           H        ASP  14 115.788  13.203  13.203
   81    HA   ASP  14           HA       ASP  14 115.917  12.453  12.453
   82   1HB   ASP  14          2HB       ASP  14 115.915  14.847  14.847
   83   2HB   ASP  14          1HB       ASP  14 115.041  15.075  15.075
   84    H    TRP  15           H        TRP  15 113.390  12.742  12.742
   85    HA   TRP  15           HA       TRP  15 111.243  13.345  13.345
   86   1HB   TRP  15          2HB       TRP  15 111.389  12.409  12.409
   87   2HB   TRP  15          1HB       TRP  15 109.867  12.748  12.748
   88    HD1  TRP  15           HD1      TRP  15 112.203  15.099  15.099
   89    HE1  TRP  15           HE1      TRP  15 112.074  17.400  17.400
   90    HE3  TRP  15           HE3      TRP  15 109.587  13.832  13.832
   91    HZ2  TRP  15           HZ2      TRP  15 111.010  18.549  18.549
   92    HZ3  TRP  15           HZ3      TRP  15 109.032  15.549  15.549
   93    HH2  TRP  15           HH2      TRP  15 109.740  17.904  17.904
   94    H    LEU  16           H        LEU  16 113.028  10.533  10.533
   95    HA   LEU  16           HA       LEU  16 110.912   8.563   8.563
   96   1HB   LEU  16          2HB       LEU  16 112.683   7.644   7.644
   97   2HB   LEU  16          1HB       LEU  16 113.843   8.739   8.739
   98    HG   LEU  16           HG       LEU  16 113.738   7.404   7.404
   99   1HD1  LEU  16          3HD1      LEU  16 111.571   6.097   6.097
  100   2HD1  LEU  16          2HD1      LEU  16 112.662   4.985   4.985
  101   3HD1  LEU  16          1HD1      LEU  16 111.803   6.218   6.218
  102   1HD2  LEU  16          1HD2      LEU  16 114.919   6.679   6.679
  103   2HD2  LEU  16          3HD2      LEU  16 115.474   6.264   6.264
  104   3HD2  LEU  16          2HD2      LEU  16 114.371   5.187   5.187
  105    H    ALA  17           H        ALA  17 113.576   9.709   9.709
  106    HA   ALA  17           HA       ALA  17 112.736   8.222   8.222
  107   1HB   ALA  17          2HB       ALA  17 114.986   9.387   9.387
  108   2HB   ALA  17          1HB       ALA  17 114.272  10.813  10.813
  109   3HB   ALA  17          3HB       ALA  17 114.533   9.351   9.351
  110    H    THR  18           H        THR  18 112.334  11.647  11.647
  111    HA   THR  18           HA       THR  18 110.935  12.654  12.654
  112    HB   THR  18           HB       THR  18 109.757  13.952  13.952
  113    HG1  THR  18           HG1      THR  18 110.386  12.642  12.642
  114   1HG2  THR  18          3HG2      THR  18 112.388  14.103  14.103
  115   2HG2  THR  18          2HG2      THR  18 112.300  14.941  14.941
  116   3HG2  THR  18          1HG2      THR  18 111.181  15.363  15.363
  117    H    ALA  19           H        ALA  19 109.521  11.082  11.082
  118    HA   ALA  19           HA       ALA  19 106.801  11.183  11.183
  119   1HB   ALA  19          2HB       ALA  19 108.453   9.429   9.429
  120   2HB   ALA  19          1HB       ALA  19 106.737   9.101   9.101
  121   3HB   ALA  19          3HB       ALA  19 107.253  10.645  10.645
  122    H    ALA  20           H        ALA  20 109.079   8.410   8.410
  123    HA   ALA  20           HA       ALA  20 107.504   6.593   6.593
  124   1HB   ALA  20          2HB       ALA  20 110.355   7.210   7.210
  125   2HB   ALA  20          1HB       ALA  20 110.026   6.356   6.356
  126   3HB   ALA  20          3HB       ALA  20 109.539   5.649   5.649
  127    H    ALA  21           H        ALA  21 109.451   9.257   9.257
  128    HA   ALA  21           HA       ALA  21 108.686   8.709   8.709
  129   1HB   ALA  21          1HB       ALA  21 110.805   9.801   9.801
  130   2HB   ALA  21          3HB       ALA  21 109.832  11.243  11.243
  131   3HB   ALA  21          2HB       ALA  21 110.054  10.632  10.632
  132    H    ARG  22           H        ARG  22 107.520  10.864  10.864
  133    HA   ARG  22           HA       ARG  22 105.705  12.277  12.277
  134   1HB   ARG  22          2HB       ARG  22 107.101  13.183  13.183
  135   2HB   ARG  22          1HB       ARG  22 105.804  12.525  12.525
  136   1HG   ARG  22          2HG       ARG  22 104.402  14.204  14.204
  137   2HG   ARG  22          1HG       ARG  22 104.770  14.033  14.033
  138   1HD   ARG  22          2HD       ARG  22 107.010  15.212  15.212
  139   2HD   ARG  22          1HD       ARG  22 106.215  15.697  15.697
  140    HE   ARG  22           HE       ARG  22 105.622  16.778  16.778
  141   1HH1  ARG  22          1HH2      ARG  22 104.751  16.796  16.796
  142   2HH1  ARG  22          2HH2      ARG  22 103.136  17.362  17.362
  143   1HH2  ARG  22          2HH1      ARG  22 103.287  17.053  17.053
  144   2HH2  ARG  22          1HH1      ARG  22 102.307  17.506  17.506
  145    H    GLY  23           H        GLY  23 105.271   9.360   9.360
  146   1HA   GLY  23          2HA       GLY  23 103.547   7.883   7.883
  147   2HA   GLY  23          1HA       GLY  23 102.501   9.216   9.216
  148    H    ARG  24           H        ARG  24 104.458   8.115   8.115
  149    HA   ARG  24           HA       ARG  24 102.261   9.066   9.066
  150   1HB   ARG  24          2HB       ARG  24 104.972  10.068  10.068
  151   2HB   ARG  24          1HB       ARG  24 104.713   9.502   9.502
  152   1HG   ARG  24          2HG       ARG  24 103.756  11.527  11.527
  153   2HG   ARG  24          1HG       ARG  24 102.371  10.867  10.867
  154   1HD   ARG  24          2HD       ARG  24 104.429  11.835  11.835
  155   2HD   ARG  24          1HD       ARG  24 103.839  13.116  13.116
  156    HE   ARG  24           HE       ARG  24 101.841  11.350  11.350
  157   1HH1  ARG  24          2HH1      ARG  24 101.245  13.925  13.925
  158   2HH1  ARG  24          1HH1      ARG  24 100.931  15.022  15.022
  159   1HH2  ARG  24          1HH2      ARG  24 102.339  12.976  12.976
  160   2HH2  ARG  24          2HH2      ARG  24 101.548  14.484  14.484
  161    H    VAL  25           H        VAL  25 102.491   6.408   6.408
  162    HA   VAL  25           HA       VAL  25 104.182   4.641   4.641
  163    HB   VAL  25           HB       VAL  25 101.179   4.576   4.576
  164   1HG1  VAL  25          1HG1      VAL  25 102.931   2.677   2.677
  165   2HG1  VAL  25          3HG1      VAL  25 102.123   1.952   1.952
  166   3HG1  VAL  25          2HG1      VAL  25 101.171   2.699   2.699
  167   1HG2  VAL  25          1HG2      VAL  25 103.089   4.715   4.715
  168   2HG2  VAL  25          3HG2      VAL  25 101.637   3.739   3.739
  169   3HG2  VAL  25          2HG2      VAL  25 103.141   2.976   2.976
  170    H    GLU  26           H        GLU  26 101.436   6.425   6.425
  171    HA   GLU  26           HA       GLU  26 101.490   5.144   5.144
  172   1HB   GLU  26          2HB       GLU  26 100.419   7.778   7.778
  173   2HB   GLU  26          1HB       GLU  26 100.070   7.162   7.162
  174   1HG   GLU  26          2HG       GLU  26  98.359   6.000   6.000
  175   2HG   GLU  26          1HG       GLU  26  99.554   5.004   5.004
  176    H    GLU  27           H        GLU  27 102.781   8.257   8.257
  177    HA   GLU  27           HA       GLU  27 103.908   9.199   9.199
  178   1HB   GLU  27          2HB       GLU  27 103.871   9.833   9.833
  179   2HB   GLU  27          1HB       GLU  27 105.550   9.895   9.895
  180   1HG   GLU  27          2HG       GLU  27 103.268  11.272  11.272
  181   2HG   GLU  27          1HG       GLU  27 104.317  12.074  12.074
  182    H    VAL  28           H        VAL  28 105.383   7.159   7.159
  183    HA   VAL  28           HA       VAL  28 107.963   6.941   6.941
  184    HB   VAL  28           HB       VAL  28 106.550   4.967   4.967
  185   1HG1  VAL  28          3HG1      VAL  28 109.470   5.610   5.610
  186   2HG1  VAL  28          2HG1      VAL  28 108.889   4.519   4.519
  187   3HG1  VAL  28          1HG1      VAL  28 108.632   4.125   4.125
  188   1HG2  VAL  28          2HG2      VAL  28 108.040   7.536   7.536
  189   2HG2  VAL  28          1HG2      VAL  28 106.390   7.117   7.117
  190   3HG2  VAL  28          3HG2      VAL  28 107.752   6.286   6.286
  191    H    ARG  29           H        ARG  29 105.100   4.794   4.794
  192    HA   ARG  29           HA       ARG  29 106.090   2.667   2.667
  193   1HB   ARG  29          2HB       ARG  29 103.588   3.757   3.757
  194   2HB   ARG  29          1HB       ARG  29 103.432   3.354   3.354
  195   1HG   ARG  29          2HG       ARG  29 103.103   1.220   1.220
  196   2HG   ARG  29          1HG       ARG  29 104.820   1.184   1.184
  197   1HD   ARG  29          2HD       ARG  29 103.906   0.582   0.582
  198   2HD   ARG  29          1HD       ARG  29 103.932   2.346   2.346
  199    HE   ARG  29           HE       ARG  29 101.577   2.374   2.374
  200   1HH1  ARG  29          1HH2      ARG  29 102.461  -0.741  -0.741
  201   2HH1  ARG  29          2HH2      ARG  29 101.150  -1.493  -1.493
  202   1HH2  ARG  29          2HH1      ARG  29 100.080   1.440   1.440
  203   2HH2  ARG  29          1HH1      ARG  29  99.807  -0.261  -0.261
  204    H    ALA  30           H        ALA  30 104.672   5.738   5.738
  205    HA   ALA  30           HA       ALA  30 105.097   5.146   5.146
  206   1HB   ALA  30          1HB       ALA  30 104.149   7.349   7.349
  207   2HB   ALA  30          3HB       ALA  30 104.862   7.869   7.869
  208   3HB   ALA  30          2HB       ALA  30 103.488   6.765   6.765
  209    H    LEU  31           H        LEU  31 106.840   6.993   6.993
  210    HA   LEU  31           HA       LEU  31 108.882   8.080   8.080
  211   1HB   LEU  31          2HB       LEU  31 108.322   7.684   7.684
  212   2HB   LEU  31          1HB       LEU  31 110.019   7.913   7.913
  213    HG   LEU  31           HG       LEU  31 107.847   9.744   9.744
  214   1HD1  LEU  31          1HD1      LEU  31 108.768   9.481   9.481
  215   2HD1  LEU  31          3HD1      LEU  31 109.386  10.999  10.999
  216   3HD1  LEU  31          2HD1      LEU  31 107.654  10.674  10.674
  217   1HD2  LEU  31          3HD2      LEU  31 110.557   9.435   9.435
  218   2HD2  LEU  31          2HD2      LEU  31 109.559  10.840  10.840
  219   3HD2  LEU  31          1HD2      LEU  31 110.523  10.814  10.814
  220    H    LEU  32           H        LEU  32 109.052   5.309   5.309
  221    HA   LEU  32           HA       LEU  32 111.615   4.367   4.367
  222   1HB   LEU  32          2HB       LEU  32 109.022   3.132   3.132
  223   2HB   LEU  32          1HB       LEU  32 110.377   2.069   2.069
  224    HG   LEU  32           HG       LEU  32 110.427   4.366   4.366
  225   1HD1  LEU  32          3HD1      LEU  32 110.467   1.362   1.362
  226   2HD1  LEU  32          2HD1      LEU  32 110.657   2.560   2.560
  227   3HD1  LEU  32          1HD1      LEU  32 109.137   2.440   2.440
  228   1HD2  LEU  32          1HD2      LEU  32 112.543   3.050   3.050
  229   2HD2  LEU  32          3HD2      LEU  32 112.670   4.218   4.218
  230   3HD2  LEU  32          2HD2      LEU  32 112.583   2.493   2.493
  231    H    GLU  33           H        GLU  33 108.558   3.402   3.402
  232    HA   GLU  33           HA       GLU  33 109.784   1.723   1.723
  233   1HB   GLU  33          2HB       GLU  33 107.154   3.192   3.192
  234   2HB   GLU  33          1HB       GLU  33 107.504   2.159   2.159
  235   1HG   GLU  33          2HG       GLU  33 107.744   0.222   0.222
  236   2HG   GLU  33          1HG       GLU  33 107.787   1.194   1.194
  237    H    ALA  34           H        ALA  34 109.691   5.161   5.161
  238    HA   ALA  34           HA       ALA  34 109.933   5.641   5.641
  239   1HB   ALA  34          1HB       ALA  34 109.897   7.383   7.383
  240   2HB   ALA  34          3HB       ALA  34 110.062   8.030   8.030
  241   3HB   ALA  34          2HB       ALA  34 108.596   7.164   7.164
  242    H    GLY  35           H        GLY  35 112.045   4.966   4.966
  243   1HA   GLY  35          2HA       GLY  35 114.416   4.548   4.548
  244   2HA   GLY  35          1HA       GLY  35 114.323   6.133   6.133
  245    H    ALA  36           H        ALA  36 113.056   5.308   5.308
  246    HA   ALA  36           HA       ALA  36 114.286   7.598   7.598
  247   1HB   ALA  36          2HB       ALA  36 112.203   6.284   6.284
  248   2HB   ALA  36          1HB       ALA  36 113.294   5.050   5.050
  249   3HB   ALA  36          3HB       ALA  36 113.307   6.673   6.673
  250    H    LEU  37           H        LEU  37 115.928   7.450   7.450
  251    HA   LEU  37           HA       LEU  37 118.137   5.619   5.619
  252   1HB   LEU  37          2HB       LEU  37 117.956   8.266   8.266
  253   2HB   LEU  37          1HB       LEU  37 118.415   7.550   7.550
  254    HG   LEU  37           HG       LEU  37 120.332   6.435   6.435
  255   1HD1  LEU  37          1HD1      LEU  37 118.890   7.085   7.085
  256   2HD1  LEU  37          3HD1      LEU  37 120.444   7.917   7.917
  257   3HD1  LEU  37          2HD1      LEU  37 120.388   6.168   6.168
  258   1HD2  LEU  37          2HD2      LEU  37 119.949   9.339   9.339
  259   2HD2  LEU  37          1HD2      LEU  37 121.295   8.351   8.351
  260   3HD2  LEU  37          3HD2      LEU  37 121.236   8.883   8.883
  261    HA   PRO  38           HA       PRO  38 116.687   3.020   3.020
  262   1HB   PRO  38          2HB       PRO  38 118.577   1.058   1.058
  263   2HB   PRO  38          1HB       PRO  38 117.116   1.179   1.179
  264   1HG   PRO  38          2HG       PRO  38 119.894   2.092   2.092
  265   2HG   PRO  38          1HG       PRO  38 118.731   1.267   1.267
  266   1HD   PRO  38          2HD       PRO  38 119.172   3.922   3.922
  267   2HD   PRO  38          1HD       PRO  38 117.573   3.209   3.209
  268    H    ASN  39           H        ASN  39 119.963   4.167   4.167
  269    HA   ASN  39           HA       ASN  39 120.435   4.173   4.173
  270   1HB   ASN  39          2HB       ASN  39 122.370   3.585   3.585
  271   2HB   ASN  39          1HB       ASN  39 122.789   3.629   3.629
  272   1HD2  ASN  39          1HD2      ASN  39 120.738   2.233   2.233
  273   2HD2  ASN  39          2HD2      ASN  39 120.649   0.650   0.650
  274    H    ALA  40           H        ALA  40 119.408   6.434   6.434
  275    HA   ALA  40           HA       ALA  40 121.310   8.303   8.303
  276   1HB   ALA  40          2HB       ALA  40 118.490   8.075   8.075
  277   2HB   ALA  40          1HB       ALA  40 119.080   9.611   9.611
  278   3HB   ALA  40          3HB       ALA  40 119.312   9.214   9.214
  279    HA   PRO  41           HA       PRO  41 122.914   8.979   8.979
  280   1HB   PRO  41          2HB       PRO  41 125.132  10.370  10.370
  281   2HB   PRO  41          1HB       PRO  41 125.043   8.596   8.596
  282   1HG   PRO  41          2HG       PRO  41 124.726  10.539  10.539
  283   2HG   PRO  41          1HG       PRO  41 125.536   8.964   8.964
  284   1HD   PRO  41          2HD       PRO  41 123.050   9.350   9.350
  285   2HD   PRO  41          1HD       PRO  41 123.590   7.809   7.809
  286    H    ASN  42           H        ASN  42 121.242  10.461  10.461
  287    HA   ASN  42           HA       ASN  42 121.372  13.234  13.234
  288   1HB   ASN  42          2HB       ASN  42 119.228  13.429  13.429
  289   2HB   ASN  42          1HB       ASN  42 119.228  12.036  12.036
  290   1HD2  ASN  42          1HD2      ASN  42 117.521  12.204  12.204
  291   2HD2  ASN  42          2HD2      ASN  42 118.013  10.999  10.999
  292    H    SER  43           H        SER  43 120.704  14.830  14.830
  293    HA   SER  43           HA       SER  43 123.061  14.782  14.782
  294   1HB   SER  43          2HB       SER  43 121.320  16.966  16.966
  295   2HB   SER  43          1HB       SER  43 122.818  16.992  16.992
  296    HG   SER  43           HG       SER  43 120.199  16.994  16.994
  297    H    TYR  44           H        TYR  44 120.140  13.291  13.291
  298    HA   TYR  44           HA       TYR  44 119.532  14.050  14.050
  299   1HB   TYR  44          2HB       TYR  44 118.131  13.130  13.130
  300   2HB   TYR  44          1HB       TYR  44 118.072  11.794  11.794
  301    HD1  TYR  44           HD1      TYR  44 118.189  15.468  15.468
  302    HD2  TYR  44           HD2      TYR  44 115.860  11.857  11.857
  303    HE1  TYR  44           HE1      TYR  44 116.411  16.651  16.651
  304    HE2  TYR  44           HE2      TYR  44 114.085  13.043  13.043
  305    HH   TYR  44           HH       TYR  44 113.912  16.375  16.375
  306    H    GLY  45           H        GLY  45 121.617  11.878  11.878
  307   1HA   GLY  45          2HA       GLY  45 122.758   9.961   9.961
  308   2HA   GLY  45          1HA       GLY  45 122.541  10.620  10.620
  309    H    ARG  46           H        ARG  46 119.721   9.937   9.937
  310    HA   ARG  46           HA       ARG  46 119.171   7.562   7.562
  311   1HB   ARG  46          2HB       ARG  46 117.381   9.652   9.652
  312   2HB   ARG  46          1HB       ARG  46 116.780   8.257   8.257
  313   1HG   ARG  46          2HG       ARG  46 118.850   9.765   9.765
  314   2HG   ARG  46          1HG       ARG  46 117.396  10.707  10.707
  315   1HD   ARG  46          2HD       ARG  46 116.086   8.659   8.659
  316   2HD   ARG  46          1HD       ARG  46 117.643   8.132   8.132
  317    HE   ARG  46           HE       ARG  46 117.284  10.894  10.894
  318   1HH1  ARG  46          1HH2      ARG  46 117.495   8.009   8.009
  319   2HH1  ARG  46          2HH2      ARG  46 116.346   8.329   8.329
  320   1HH2  ARG  46          2HH1      ARG  46 115.139  11.223  11.223
  321   2HH2  ARG  46          1HH1      ARG  46 115.007  10.139  10.139
  322    H    ARG  47           H        ARG  47 118.721   5.647   5.647
  323    HA   ARG  47           HA       ARG  47 119.249   5.285   5.285
  324   1HB   ARG  47          2HB       ARG  47 117.623   3.609   3.609
  325   2HB   ARG  47          1HB       ARG  47 118.323   3.026   3.026
  326   1HG   ARG  47          2HG       ARG  47 119.859   4.103   4.103
  327   2HG   ARG  47          1HG       ARG  47 119.785   2.423   2.423
  328   1HD   ARG  47          2HD       ARG  47 121.632   2.856   2.856
  329   2HD   ARG  47          1HD       ARG  47 120.586   3.834   3.834
  330    HE   ARG  47           HE       ARG  47 121.047   5.684   5.684
  331   1HH1  ARG  47          1HH2      ARG  47 123.130   3.357   3.357
  332   2HH1  ARG  47          2HH2      ARG  47 124.592   4.180   4.180
  333   1HH2  ARG  47          2HH1      ARG  47 122.969   6.711   6.711
  334   2HH2  ARG  47          1HH1      ARG  47 124.501   6.079   6.079
  335    HA   PRO  48           HA       PRO  48 115.516   6.259   6.259
  336   1HB   PRO  48          2HB       PRO  48 115.007   4.065   4.065
  337   2HB   PRO  48          1HB       PRO  48 116.296   5.237   5.237
  338   1HG   PRO  48          2HG       PRO  48 116.472   2.572   2.572
  339   2HG   PRO  48          1HG       PRO  48 117.545   3.302   3.302
  340   1HD   PRO  48          2HD       PRO  48 118.161   3.251   3.251
  341   2HD   PRO  48          1HD       PRO  48 118.638   4.600   4.600
  342    H    ILE  49           H        ILE  49 115.530   3.265   3.265
  343    HA   ILE  49           HA       ILE  49 112.532   3.340   3.340
  344    HB   ILE  49           HB       ILE  49 114.623   1.206   1.206
  345   1HG1  ILE  49          2HG1      ILE  49 112.342   1.602   1.602
  346   2HG1  ILE  49          1HG1      ILE  49 114.053   1.391   1.391
  347   1HG2  ILE  49          3HG2      ILE  49 112.756   1.207   1.207
  348   2HG2  ILE  49          2HG2      ILE  49 111.636   0.902   0.902
  349   3HG2  ILE  49          1HG2      ILE  49 112.898  -0.270  -0.270
  350   1HD1  ILE  49          1HD1      ILE  49 113.842  -0.925  -0.925
  351   2HD1  ILE  49          3HD1      ILE  49 112.098  -0.679  -0.679
  352   3HD1  ILE  49          2HD1      ILE  49 113.040  -0.721  -0.721
  353    H    GLN  50           H        GLN  50 115.490   3.301   3.301
  354    HA   GLN  50           HA       GLN  50 114.483   3.159   3.159
  355   1HB   GLN  50          2HB       GLN  50 116.861   3.178   3.178
  356   2HB   GLN  50          1HB       GLN  50 116.720   4.846   4.846
  357   1HG   GLN  50          2HG       GLN  50 116.932   5.662   5.662
  358   2HG   GLN  50          1HG       GLN  50 115.759   4.517   4.517
  359   1HE2  GLN  50          1HE2      GLN  50 119.039   5.336   5.336
  360   2HE2  GLN  50          2HE2      GLN  50 119.655   3.868   3.868
  361    H    VAL  51           H        VAL  51 114.088   5.670   5.670
  362    HA   VAL  51           HA       VAL  51 113.040   7.553   7.553
  363    HB   VAL  51           HB       VAL  51 114.950   8.206   8.206
  364   1HG1  VAL  51          1HG1      VAL  51 114.025   6.944   6.944
  365   2HG1  VAL  51          3HG1      VAL  51 112.814   8.215   8.215
  366   3HG1  VAL  51          2HG1      VAL  51 114.525   8.596   8.596
  367   1HG2  VAL  51          2HG2      VAL  51 112.433   9.644   9.644
  368   2HG2  VAL  51          1HG2      VAL  51 114.095  10.210  10.210
  369   3HG2  VAL  51          3HG2      VAL  51 113.317  10.235  10.235
  370    H    MET  52           H        MET  52 111.897   5.215   5.215
  371    HA   MET  52           HA       MET  52 109.690   6.649   6.649
  372   1HB   MET  52          2HB       MET  52 109.097   4.482   4.482
  373   2HB   MET  52          1HB       MET  52 110.857   4.498   4.498
  374   1HG   MET  52          2HG       MET  52 110.742   2.621   2.621
  375   2HG   MET  52          1HG       MET  52 110.078   3.610   3.610
  376   1HE   MET  52          1HE       MET  52 109.838   0.702   0.702
  377   2HE   MET  52          3HE       MET  52 108.592   1.091   1.091
  378   3HE   MET  52          2HE       MET  52 108.199   0.091   0.091
  379    H    MET  53           H        MET  53 107.374   6.049   6.049
  380    HA   MET  53           HA       MET  53 106.721   6.537   6.537
  381   1HB   MET  53          2HB       MET  53 105.303   6.922   6.922
  382   2HB   MET  53          1HB       MET  53 105.064   5.178   5.178
  383   1HG   MET  53          2HG       MET  53 103.271   5.517   5.517
  384   2HG   MET  53          1HG       MET  53 104.455   5.697   5.697
  385   1HE   MET  53          2HE       MET  53 102.446   7.244   7.244
  386   2HE   MET  53          1HE       MET  53 101.359   7.323   7.323
  387   3HE   MET  53          3HE       MET  53 101.934   8.810   8.810
  388    H    MET  54           H        MET  54 107.737   5.007   5.007
  389    HA   MET  54           HA       MET  54 107.905   2.214   2.214
  390   1HB   MET  54          2HB       MET  54 108.107   4.173   4.173
  391   2HB   MET  54          1HB       MET  54 107.652   2.557   2.557
  392   1HG   MET  54          2HG       MET  54 110.128   2.888   2.888
  393   2HG   MET  54          1HG       MET  54 109.592   1.584   1.584
  394   1HE   MET  54          3HE       MET  54 110.474   1.130   1.130
  395   2HE   MET  54          2HE       MET  54 110.552   2.058   2.058
  396   3HE   MET  54          1HE       MET  54 111.968   1.958   1.958
  397    H    GLY  55           H        GLY  55 105.116   4.139   4.139
  398   1HA   GLY  55          2HA       GLY  55 103.554   1.909   1.909
  399   2HA   GLY  55          1HA       GLY  55 102.959   3.541   3.541
  400    H    SER  56           H        SER  56 104.731   2.432   2.432
  401    HA   SER  56           HA       SER  56 102.302   1.326   1.326
  402   1HB   SER  56          2HB       SER  56 103.380   3.918   3.918
  403   2HB   SER  56          1HB       SER  56 103.899   3.040   3.040
  404    HG   SER  56           HG       SER  56 101.924   3.160   3.160
  405    H    ALA  57           H        ALA  57 103.385  -0.761  -0.761
  406    HA   ALA  57           HA       ALA  57 106.051  -1.316  -1.316
  407   1HB   ALA  57          1HB       ALA  57 103.460  -2.872  -2.872
  408   2HB   ALA  57          3HB       ALA  57 104.983  -3.622  -3.622
  409   3HB   ALA  57          2HB       ALA  57 104.799  -2.960  -2.960
  410    H    ARG  58           H        ARG  58 103.170  -0.627  -0.627
  411    HA   ARG  58           HA       ARG  58 103.720  -1.821  -1.821
  412   1HB   ARG  58          2HB       ARG  58 102.616   0.937   0.937
  413   2HB   ARG  58          1HB       ARG  58 102.401   0.084   0.084
  414   1HG   ARG  58          2HG       ARG  58 101.449  -1.841  -1.841
  415   2HG   ARG  58          1HG       ARG  58 101.258  -0.581  -0.581
  416   1HD   ARG  58          2HD       ARG  58  99.698   0.631   0.631
  417   2HD   ARG  58          1HD       ARG  58 100.218  -0.152  -0.152
  418    HE   ARG  58           HE       ARG  58  98.958  -1.795  -1.795
  419   1HH1  ARG  58          1HH2      ARG  58  96.919  -0.344  -0.344
  420   2HH1  ARG  58          2HH2      ARG  58  96.605  -1.434  -1.434
  421   1HH2  ARG  58          2HH1      ARG  58  99.499  -3.280  -3.280
  422   2HH2  ARG  58          1HH1      ARG  58  98.069  -3.092  -3.092
  423    H    VAL  59           H        VAL  59 104.833   1.402   1.402
  424    HA   VAL  59           HA       VAL  59 106.357   2.111   2.111
  425    HB   VAL  59           HB       VAL  59 106.945   2.679   2.679
  426   1HG1  VAL  59          3HG1      VAL  59 108.702   3.294   3.294
  427   2HG1  VAL  59          2HG1      VAL  59 107.505   4.317   4.317
  428   3HG1  VAL  59          1HG1      VAL  59 108.024   4.680   4.680
  429   1HG2  VAL  59          1HG2      VAL  59 105.015   3.908   3.908
  430   2HG2  VAL  59          3HG2      VAL  59 104.661   3.282   3.282
  431   3HG2  VAL  59          2HG2      VAL  59 105.574   4.780   4.780
  432    H    ALA  60           H        ALA  60 107.574   0.619   0.619
  433    HA   ALA  60           HA       ALA  60 110.218   0.157   0.157
  434   1HB   ALA  60          2HB       ALA  60 108.160  -0.947  -0.947
  435   2HB   ALA  60          1HB       ALA  60 109.174  -2.263  -2.263
  436   3HB   ALA  60          3HB       ALA  60 109.901  -0.916  -0.916
  437    H    GLU  61           H        GLU  61 107.640  -2.213  -2.213
  438    HA   GLU  61           HA       GLU  61 109.139  -4.044  -4.044
  439   1HB   GLU  61          2HB       GLU  61 106.559  -3.737  -3.737
  440   2HB   GLU  61          1HB       GLU  61 106.503  -3.069  -3.069
  441   1HG   GLU  61          2HG       GLU  61 107.282  -5.093  -5.093
  442   2HG   GLU  61          1HG       GLU  61 107.803  -5.731  -5.731
  443    H    LEU  62           H        LEU  62 107.639  -1.036  -1.036
  444    HA   LEU  62           HA       LEU  62 108.423  -1.122  -1.122
  445   1HB   LEU  62          2HB       LEU  62 107.516   0.762   0.762
  446   2HB   LEU  62          1HB       LEU  62 108.841   1.507   1.507
  447    HG   LEU  62           HG       LEU  62 106.244   0.424   0.424
  448   1HD1  LEU  62          1HD1      LEU  62 107.058   2.933   2.933
  449   2HD1  LEU  62          3HD1      LEU  62 107.337   2.984   2.984
  450   3HD1  LEU  62          2HD1      LEU  62 105.735   2.608   2.608
  451   1HD2  LEU  62          1HD2      LEU  62 108.848   0.346   0.346
  452   2HD2  LEU  62          3HD2      LEU  62 107.295  -0.187  -0.187
  453   3HD2  LEU  62          2HD2      LEU  62 107.805   1.487   1.487
  454    H    LEU  63           H        LEU  63 110.220   0.830   0.830
  455    HA   LEU  63           HA       LEU  63 112.645   0.998   0.998
  456   1HB   LEU  63          2HB       LEU  63 111.628   1.524   1.524
  457   2HB   LEU  63          1HB       LEU  63 113.369   1.265   1.265
  458    HG   LEU  63           HG       LEU  63 111.964   3.132   3.132
  459   1HD1  LEU  63          3HD1      LEU  63 112.437   3.493   3.493
  460   2HD1  LEU  63          2HD1      LEU  63 113.217   4.735   4.735
  461   3HD1  LEU  63          1HD1      LEU  63 111.480   4.471   4.471
  462   1HD2  LEU  63          1HD2      LEU  63 114.759   2.444   2.444
  463   2HD2  LEU  63          3HD2      LEU  63 114.104   2.916   2.916
  464   3HD2  LEU  63          2HD2      LEU  63 114.430   4.142   4.142
  465    H    LEU  64           H        LEU  64 111.760  -1.128  -1.128
  466    HA   LEU  64           HA       LEU  64 114.108  -2.607  -2.607
  467   1HB   LEU  64          2HB       LEU  64 112.035  -2.676  -2.676
  468   2HB   LEU  64          1HB       LEU  64 111.219  -3.547  -3.547
  469    HG   LEU  64           HG       LEU  64 112.154  -4.943  -4.943
  470   1HD1  LEU  64          1HD1      LEU  64 111.528  -5.694  -5.694
  471   2HD1  LEU  64          3HD1      LEU  64 113.267  -5.772  -5.772
  472   3HD1  LEU  64          2HD1      LEU  64 112.526  -6.776  -6.776
  473   1HD2  LEU  64          1HD2      LEU  64 114.371  -3.648  -3.648
  474   2HD2  LEU  64          3HD2      LEU  64 114.489  -5.406  -5.406
  475   3HD2  LEU  64          2HD2      LEU  64 114.767  -4.596  -4.596
  476    H    LEU  65           H        LEU  65 111.323  -3.944  -3.944
  477    HA   LEU  65           HA       LEU  65 112.714  -5.996  -5.996
  478   1HB   LEU  65          2HB       LEU  65 110.747  -6.205  -6.205
  479   2HB   LEU  65          1HB       LEU  65 110.187  -5.392  -5.392
  480    HG   LEU  65           HG       LEU  65 110.790  -3.215  -3.215
  481   1HD1  LEU  65          1HD1      LEU  65 110.731  -5.463  -5.463
  482   2HD1  LEU  65          3HD1      LEU  65 109.772  -4.055  -4.055
  483   3HD1  LEU  65          2HD1      LEU  65 111.496  -3.881  -3.881
  484   1HD2  LEU  65          2HD2      LEU  65 108.509  -4.351  -4.351
  485   2HD2  LEU  65          1HD2      LEU  65 108.508  -2.942  -2.942
  486   3HD2  LEU  65          3HD2      LEU  65 108.267  -4.552  -4.552
  487    H    HIS  66           H        HIS  66 112.677  -2.576  -2.576
  488    HA   HIS  66           HA       HIS  66 113.728  -2.778  -2.778
  489   1HB   HIS  66          2HB       HIS  66 112.760  -0.833  -0.833
  490   2HB   HIS  66          1HB       HIS  66 114.272  -0.285  -0.285
  491    HD1  HIS  66           HD1      HIS  66 113.543   1.363   1.363
  492    HD2  HIS  66           HD2      HIS  66 111.401  -2.205  -2.205
  493    HE1  HIS  66           HE1      HIS  66 112.068   1.520   1.520
  494    H    GLY  67           H        GLY  67 115.121  -1.687  -1.687
  495   1HA   GLY  67          2HA       GLY  67 117.413  -3.069  -3.069
  496   2HA   GLY  67          1HA       GLY  67 117.811  -1.960  -1.960
  497    H    ALA  68           H        ALA  68 115.861  -1.361  -1.361
  498    HA   ALA  68           HA       ALA  68 117.266   1.155   1.155
  499   1HB   ALA  68          2HB       ALA  68 114.905  -0.265  -0.265
  500   2HB   ALA  68          1HB       ALA  68 115.794   0.286   0.286
  501   3HB   ALA  68          3HB       ALA  68 115.283   1.445   1.445
  502    H    GLU  69           H        GLU  69 117.523   1.018   1.018
  503    HA   GLU  69           HA       GLU  69 119.810  -0.904  -0.904
  504   1HB   GLU  69          2HB       GLU  69 119.423   1.945   1.945
  505   2HB   GLU  69          1HB       GLU  69 120.051   1.094   1.094
  506   1HG   GLU  69          2HG       GLU  69 122.091   1.003   1.003
  507   2HG   GLU  69          1HG       GLU  69 121.433   0.130   0.130
  508    HA   PRO  70           HA       PRO  70 116.556  -2.030  -2.030
  509   1HB   PRO  70          2HB       PRO  70 116.382  -4.670  -4.670
  510   2HB   PRO  70          1HB       PRO  70 115.439  -3.416  -3.416
  511   1HG   PRO  70          2HG       PRO  70 117.881  -4.843  -4.843
  512   2HG   PRO  70          1HG       PRO  70 116.506  -4.260  -4.260
  513   1HD   PRO  70          2HD       PRO  70 118.959  -3.004  -3.004
  514   2HD   PRO  70          1HD       PRO  70 117.440  -2.229  -2.229
  515    H    ASN  71           H        ASN  71 119.758  -2.384  -2.384
  516    HA   ASN  71           HA       ASN  71 120.045  -3.985  -3.985
  517   1HB   ASN  71          2HB       ASN  71 122.201  -4.847  -4.847
  518   2HB   ASN  71          1HB       ASN  71 120.641  -5.632  -5.632
  519   1HD2  ASN  71          1HD2      ASN  71 123.199  -4.243  -4.243
  520   2HD2  ASN  71          2HD2      ASN  71 122.394  -3.980  -3.980
  521    H    CYS  72           H        CYS  72 122.058  -2.245  -2.245
  522    HA   CYS  72           HA       CYS  72 124.109  -1.313  -1.313
  523   1HB   CYS  72          2HB       CYS  72 122.939  -0.751  -0.751
  524   2HB   CYS  72          1HB       CYS  72 123.196   0.803   0.803
  525    HG   CYS  72           HG       CYS  72 125.518   0.461   0.461
  526    H    ALA  73           H        ALA  73 124.424   0.630   0.630
  527    HA   ALA  73           HA       ALA  73 121.965   2.145   2.145
  528   1HB   ALA  73          1HB       ALA  73 122.300   0.186   0.186
  529   2HB   ALA  73          3HB       ALA  73 123.885   0.831   0.831
  530   3HB   ALA  73          2HB       ALA  73 122.424   1.729   1.729
  531    H    ASP  74           H        ASP  74 123.127   3.589   3.589
  532    HA   ASP  74           HA       ASP  74 124.956   5.372   5.372
  533   1HB   ASP  74          2HB       ASP  74 122.819   5.718   5.718
  534   2HB   ASP  74          1HB       ASP  74 124.172   5.972   5.972
  535    HA   PRO  75           HA       PRO  75 128.432   3.757   3.757
  536   1HB   PRO  75          2HB       PRO  75 130.276   5.635   5.635
  537   2HB   PRO  75          1HB       PRO  75 129.717   4.354   4.354
  538   1HG   PRO  75          2HG       PRO  75 129.004   7.226   7.226
  539   2HG   PRO  75          1HG       PRO  75 129.116   6.117   6.117
  540   1HD   PRO  75          2HD       PRO  75 126.760   6.940   6.940
  541   2HD   PRO  75          1HD       PRO  75 126.937   5.530   5.530
  542    H    ALA  76           H        ALA  76 126.694   6.491   6.491
  543    HA   ALA  76           HA       ALA  76 128.555   7.404   7.404
  544   1HB   ALA  76          2HB       ALA  76 126.688   8.611   8.611
  545   2HB   ALA  76          1HB       ALA  76 126.013   8.775   8.775
  546   3HB   ALA  76          3HB       ALA  76 127.621   9.404   9.404
  547    H    THR  77           H        THR  77 125.302   6.065   6.065
  548    HA   THR  77           HA       THR  77 125.234   5.312   5.312
  549    HB   THR  77           HB       THR  77 122.628   5.704   5.704
  550    HG1  THR  77           HG1      THR  77 123.621   7.284   7.284
  551   1HG2  THR  77          1HG2      THR  77 123.743   5.792   5.792
  552   2HG2  THR  77          3HG2      THR  77 123.522   7.505   7.505
  553   3HG2  THR  77          2HG2      THR  77 122.142   6.407   6.407
  554    H    LEU  78           H        LEU  78 125.435   4.141   4.141
  555    HA   LEU  78           HA       LEU  78 124.896   2.103   2.103
  556   1HB   LEU  78          2HB       LEU  78 125.685   1.718   1.718
  557   2HB   LEU  78          1HB       LEU  78 124.658   0.404   0.404
  558    HG   LEU  78           HG       LEU  78 127.256   1.359   1.359
  559   1HD1  LEU  78          3HD1      LEU  78 126.344  -1.275  -1.275
  560   2HD1  LEU  78          2HD1      LEU  78 127.907  -1.009  -1.009
  561   3HD1  LEU  78          1HD1      LEU  78 127.499  -0.148  -0.148
  562   1HD2  LEU  78          1HD2      LEU  78 124.977   0.171   0.171
  563   2HD2  LEU  78          3HD2      LEU  78 126.547   0.568   0.568
  564   3HD2  LEU  78          2HD2      LEU  78 126.284  -1.012  -1.012
  565    H    THR  79           H        THR  79 122.532   3.796   3.796
  566    HA   THR  79           HA       THR  79 120.486   2.039   2.039
  567    HB   THR  79           HB       THR  79 120.319   4.515   4.515
  568    HG1  THR  79           HG1      THR  79 120.201   5.592   5.592
  569   1HG2  THR  79          3HG2      THR  79 118.277   2.811   2.811
  570   2HG2  THR  79          2HG2      THR  79 118.212   3.888   3.888
  571   3HG2  THR  79          1HG2      THR  79 118.066   4.544   4.544
  572    H    ARG  80           H        ARG  80 120.239   0.099   0.099
  573    HA   ARG  80           HA       ARG  80 120.364   0.004   0.004
  574   1HB   ARG  80          2HB       ARG  80 120.200  -1.804  -1.804
  575   2HB   ARG  80          1HB       ARG  80 119.195  -2.349  -2.349
  576   1HG   ARG  80          2HG       ARG  80 121.543  -1.512  -1.512
  577   2HG   ARG  80          1HG       ARG  80 122.109  -2.302  -2.302
  578   1HD   ARG  80          2HD       ARG  80 120.431  -4.203  -4.203
  579   2HD   ARG  80          1HD       ARG  80 120.521  -3.470  -3.470
  580    HE   ARG  80           HE       ARG  80 122.600  -5.042  -5.042
  581   1HH1  ARG  80          1HH2      ARG  80 123.784  -2.248  -2.248
  582   2HH1  ARG  80          2HH2      ARG  80 124.589  -2.145  -2.145
  583   1HH2  ARG  80          2HH1      ARG  80 122.893  -4.836  -4.836
  584   2HH2  ARG  80          1HH1      ARG  80 124.088  -3.613  -3.613
  585    HA   PRO  81           HA       PRO  81 116.177   0.735   0.735
  586   1HB   PRO  81          2HB       PRO  81 115.806  -1.078  -1.078
  587   2HB   PRO  81          1HB       PRO  81 116.762   0.406   0.406
  588   1HG   PRO  81          2HG       PRO  81 117.683  -2.382  -2.382
  589   2HG   PRO  81          1HG       PRO  81 118.352  -1.161  -1.161
  590   1HD   PRO  81          2HD       PRO  81 119.450  -1.696  -1.696
  591   2HD   PRO  81          1HD       PRO  81 119.473  -0.068  -0.068
  592    H    VAL  82           H        VAL  82 117.233  -2.318  -2.318
  593    HA   VAL  82           HA       VAL  82 114.737  -3.768  -3.768
  594    HB   VAL  82           HB       VAL  82 117.232  -3.859  -3.859
  595   1HG1  VAL  82          1HG1      VAL  82 114.751  -5.217  -5.217
  596   2HG1  VAL  82          3HG1      VAL  82 115.926  -6.398  -6.398
  597   3HG1  VAL  82          2HG1      VAL  82 116.254  -5.474  -5.474
  598   1HG2  VAL  82          2HG2      VAL  82 117.024  -4.343  -4.343
  599   2HG2  VAL  82          1HG2      VAL  82 118.208  -5.115  -5.115
  600   3HG2  VAL  82          3HG2      VAL  82 116.705  -5.948  -5.948
  601    H    HIS  83           H        HIS  83 116.172  -1.329  -1.329
  602    HA   HIS  83           HA       HIS  83 114.451  -1.729  -1.729
  603   1HB   HIS  83          2HB       HIS  83 115.982   0.696   0.696
  604   2HB   HIS  83          1HB       HIS  83 115.341   0.504   0.504
  605    HD2  HIS  83           HD2      HIS  83 117.532  -0.160  -0.160
  606    HE1  HIS  83           HE1      HIS  83 119.328  -2.929  -2.929
  607    HE2  HIS  83           HE2      HIS  83 119.468  -1.839  -1.839
  608    H    ASP  84           H        ASP  84 114.404   0.474   0.474
  609    HA   ASP  84           HA       ASP  84 112.214   2.096   2.096
  610   1HB   ASP  84          2HB       ASP  84 113.711   1.165   1.165
  611   2HB   ASP  84          1HB       ASP  84 112.013   1.380   1.380
  612    H    ALA  85           H        ALA  85 112.091  -1.155  -1.155
  613    HA   ALA  85           HA       ALA  85 109.243  -1.242  -1.242
  614   1HB   ALA  85          2HB       ALA  85 111.461  -2.835  -2.835
  615   2HB   ALA  85          1HB       ALA  85 110.553  -3.794  -3.794
  616   3HB   ALA  85          3HB       ALA  85 109.782  -3.268  -3.268
  617    H    ALA  86           H        ALA  86 111.171  -3.061  -3.061
  618    HA   ALA  86           HA       ALA  86 109.071  -3.736  -3.736
  619   1HB   ALA  86          3HB       ALA  86 111.902  -3.868  -3.868
  620   2HB   ALA  86          2HB       ALA  86 111.513  -3.170  -3.170
  621   3HB   ALA  86          1HB       ALA  86 110.845  -4.736  -4.736
  622    H    ARG  87           H        ARG  87 111.155  -0.837  -0.837
  623    HA   ARG  87           HA       ARG  87 110.380   0.413   0.413
  624   1HB   ARG  87          2HB       ARG  87 112.031   1.255   1.255
  625   2HB   ARG  87          1HB       ARG  87 110.731   1.640   1.640
  626   1HG   ARG  87          2HG       ARG  87 111.041   3.704   3.704
  627   2HG   ARG  87          1HG       ARG  87 109.780   3.010   3.010
  628   1HD   ARG  87          2HD       ARG  87 111.376   3.756   3.756
  629   2HD   ARG  87          1HD       ARG  87 111.793   2.043   2.043
  630    HE   ARG  87           HE       ARG  87 113.819   2.756   2.756
  631   1HH1  ARG  87          1HH2      ARG  87 113.455   5.543   5.543
  632   2HH1  ARG  87          2HH2      ARG  87 113.551   6.488   6.488
  633   1HH2  ARG  87          2HH1      ARG  87 113.032   3.789   3.789
  634   2HH2  ARG  87          1HH1      ARG  87 113.309   5.496   5.496
  635    H    GLU  88           H        GLU  88 108.585   0.404   0.404
  636    HA   GLU  88           HA       GLU  88 106.326   1.846   1.846
  637   1HB   GLU  88          2HB       GLU  88 107.415   1.415   1.415
  638   2HB   GLU  88          1HB       GLU  88 105.656   1.306   1.306
  639   1HG   GLU  88          2HG       GLU  88 107.003   3.563   3.563
  640   2HG   GLU  88          1HG       GLU  88 106.849   3.656   3.656
  641    H    GLY  89           H        GLY  89 107.331  -1.329  -1.329
  642   1HA   GLY  89          2HA       GLY  89 106.185  -3.322  -3.322
  643   2HA   GLY  89          1HA       GLY  89 104.718  -2.369  -2.369
  644    H    PHE  90           H        PHE  90 106.857  -2.737  -2.737
  645    HA   PHE  90           HA       PHE  90 104.426  -3.563  -3.563
  646   1HB   PHE  90          2HB       PHE  90 106.247  -1.434  -1.434
  647   2HB   PHE  90          1HB       PHE  90 106.652  -2.574  -2.574
  648    HD1  PHE  90           HD1      PHE  90 104.849  -3.388  -3.388
  649    HD2  PHE  90           HD2      PHE  90 104.234  -0.150  -0.150
  650    HE1  PHE  90           HE1      PHE  90 102.860  -2.673  -2.673
  651    HE2  PHE  90           HE2      PHE  90 102.243   0.566   0.566
  652    HZ   PHE  90           HZ       PHE  90 101.571  -0.690  -0.690
  653    H    LEU  91           H        LEU  91 104.699  -5.837  -5.837
  654    HA   LEU  91           HA       LEU  91 107.215  -7.187  -7.187
  655   1HB   LEU  91          2HB       LEU  91 104.558  -7.778  -7.778
  656   2HB   LEU  91          1HB       LEU  91 104.872  -8.750  -8.750
  657    HG   LEU  91           HG       LEU  91 106.950  -8.617  -8.617
  658   1HD1  LEU  91          1HD1      LEU  91 104.418 -10.273 -10.273
  659   2HD1  LEU  91          3HD1      LEU  91 105.845 -10.667 -10.667
  660   3HD1  LEU  91          2HD1      LEU  91 104.985  -9.153  -9.153
  661   1HD2  LEU  91          2HD2      LEU  91 106.323 -10.203 -10.203
  662   2HD2  LEU  91          1HD2      LEU  91 107.863  -9.988  -9.988
  663   3HD2  LEU  91          3HD2      LEU  91 106.716 -11.198 -11.198
  664    H    ASP  92           H        ASP  92 104.520  -6.249  -6.249
  665    HA   ASP  92           HA       ASP  92 105.124  -7.652  -7.652
  666   1HB   ASP  92          2HB       ASP  92 104.078  -4.882  -4.882
  667   2HB   ASP  92          1HB       ASP  92 104.228  -5.449  -5.449
  668    H    THR  93           H        THR  93 106.298  -4.359  -4.359
  669    HA   THR  93           HA       THR  93 108.194  -4.038  -4.038
  670    HB   THR  93           HB       THR  93 108.302  -3.143  -3.143
  671    HG1  THR  93           HG1      THR  93 106.534  -2.212  -2.212
  672   1HG2  THR  93          1HG2      THR  93 109.751  -2.260  -2.260
  673   2HG2  THR  93          3HG2      THR  93 109.516  -1.161  -1.161
  674   3HG2  THR  93          2HG2      THR  93 110.424  -2.655  -2.655
  675    H    LEU  94           H        LEU  94 108.583  -5.511  -5.511
  676    HA   LEU  94           HA       LEU  94 111.340  -6.157  -6.157
  677   1HB   LEU  94          2HB       LEU  94 109.197  -6.524  -6.524
  678   2HB   LEU  94          1HB       LEU  94 109.472  -8.172  -8.172
  679    HG   LEU  94           HG       LEU  94 111.821  -8.038  -8.038
  680   1HD1  LEU  94          1HD1      LEU  94 111.383  -5.265  -5.265
  681   2HD1  LEU  94          3HD1      LEU  94 111.604  -5.607  -5.607
  682   3HD1  LEU  94          2HD1      LEU  94 112.849  -6.070  -6.070
  683   1HD2  LEU  94          1HD2      LEU  94 109.557  -8.113  -8.113
  684   2HD2  LEU  94          3HD2      LEU  94 111.175  -8.679  -8.679
  685   3HD2  LEU  94          2HD2      LEU  94 110.690  -7.039  -7.039
  686    H    VAL  95           H        VAL  95 108.549  -8.167  -8.167
  687    HA   VAL  95           HA       VAL  95 109.958 -10.361 -10.361
  688    HB   VAL  95           HB       VAL  95 107.308  -9.026  -9.026
  689   1HG1  VAL  95          2HG1      VAL  95 108.643 -10.988 -10.988
  690   2HG1  VAL  95          1HG1      VAL  95 107.390 -11.840 -11.840
  691   3HG1  VAL  95          3HG1      VAL  95 106.959 -10.480 -10.480
  692   1HG2  VAL  95          1HG2      VAL  95 107.913 -10.115 -10.115
  693   2HG2  VAL  95          3HG2      VAL  95 106.369 -10.509 -10.509
  694   3HG2  VAL  95          2HG2      VAL  95 107.723 -11.636 -11.636
  695    H    VAL  96           H        VAL  96 108.936  -7.270  -7.270
  696    HA   VAL  96           HA       VAL  96 109.736  -7.766  -7.766
  697    HB   VAL  96           HB       VAL  96 109.731  -5.150  -5.150
  698   1HG1  VAL  96          3HG1      VAL  96 110.417  -5.694  -5.694
  699   2HG1  VAL  96          2HG1      VAL  96 108.726  -5.207  -5.207
  700   3HG1  VAL  96          1HG1      VAL  96 109.905  -4.125  -4.125
  701   1HG2  VAL  96          1HG2      VAL  96 107.585  -6.976  -6.976
  702   2HG2  VAL  96          3HG2      VAL  96 107.487  -5.319  -5.319
  703   3HG2  VAL  96          2HG2      VAL  96 107.314  -5.652  -5.652
  704    H    LEU  97           H        LEU  97 111.488  -6.436  -6.436
  705    HA   LEU  97           HA       LEU  97 113.919  -5.762  -5.762
  706   1HB   LEU  97          2HB       LEU  97 113.359  -6.651  -6.651
  707   2HB   LEU  97          1HB       LEU  97 114.852  -5.883  -5.883
  708    HG   LEU  97           HG       LEU  97 112.208  -4.557  -4.557
  709   1HD1  LEU  97          2HD1      LEU  97 113.012  -5.244  -5.244
  710   2HD1  LEU  97          1HD1      LEU  97 113.609  -3.596  -3.596
  711   3HD1  LEU  97          3HD1      LEU  97 111.895  -3.944  -3.944
  712   1HD2  LEU  97          3HD2      LEU  97 115.110  -3.807  -3.807
  713   2HD2  LEU  97          2HD2      LEU  97 113.918  -3.399  -3.399
  714   3HD2  LEU  97          1HD2      LEU  97 113.894  -2.575  -2.575
  715    H    HIS  98           H        HIS  98 113.281  -8.589  -8.589
  716    HA   HIS  98           HA       HIS  98 115.579 -10.097 -10.097
  717   1HB   HIS  98          2HB       HIS  98 113.704 -10.406 -10.406
  718   2HB   HIS  98          1HB       HIS  98 112.831 -11.258 -11.258
  719    HD1  HIS  98           HD1      HIS  98 113.448 -13.057 -13.057
  720    HD2  HIS  98           HD2      HIS  98 116.319 -12.268 -12.268
  721    HE1  HIS  98           HE1      HIS  98 115.099 -14.973 -14.973
  722    H    ARG  99           H        ARG  99 112.810  -9.398  -9.398
  723    HA   ARG  99           HA       ARG  99 112.911 -11.701 -11.701
  724   1HB   ARG  99          2HB       ARG  99 111.341  -9.377  -9.377
  725   2HB   ARG  99          1HB       ARG  99 111.845  -9.332  -9.332
  726   1HG   ARG  99          2HG       ARG  99 110.984 -11.603 -11.603
  727   2HG   ARG  99          1HG       ARG  99 110.532 -11.704 -11.704
  728   1HD   ARG  99          2HD       ARG  99 108.536 -10.772 -10.772
  729   2HD   ARG  99          1HD       ARG  99 109.389  -9.296  -9.296
  730    HE   ARG  99           HE       ARG  99 109.732 -11.093 -11.093
  731   1HH1  ARG  99          2HH1      ARG  99 106.966 -11.997 -11.997
  732   2HH1  ARG  99          1HH1      ARG  99 105.971 -10.939 -10.939
  733   1HH2  ARG  99          1HH2      ARG  99 108.519  -8.684  -8.684
  734   2HH2  ARG  99          2HH2      ARG  99 106.849  -9.065  -9.065
  735    H    ALA 100           H        ALA 100 114.318  -8.444  -8.444
  736    HA   ALA 100           HA       ALA 100 115.828  -9.339  -9.339
  737   1HB   ALA 100          3HB       ALA 100 114.819  -6.647  -6.647
  738   2HB   ALA 100          2HB       ALA 100 115.807  -6.883  -6.883
  739   3HB   ALA 100          1HB       ALA 100 114.198  -7.598  -7.598
  740    H    GLY 101           H        GLY 101 117.323 -10.211 -10.211
  741   1HA   GLY 101          2HA       GLY 101 119.256 -10.007 -10.007
  742   2HA   GLY 101          1HA       GLY 101 119.726  -8.850  -8.850
  743    H    ALA 102           H        ALA 102 118.351  -9.201  -9.201
  744    HA   ALA 102           HA       ALA 102 118.976  -6.326  -6.326
  745   1HB   ALA 102          1HB       ALA 102 116.577  -6.628  -6.628
  746   2HB   ALA 102          3HB       ALA 102 116.384  -7.711  -7.711
  747   3HB   ALA 102          2HB       ALA 102 116.772  -6.011  -6.011
  748    H    ARG 103           H        ARG 103 120.792  -7.370  -7.370
  749    HA   ARG 103           HA       ARG 103 120.760  -9.265  -9.265
  750   1HB   ARG 103          2HB       ARG 103 122.712  -7.969  -7.969
  751   2HB   ARG 103          1HB       ARG 103 122.086  -6.537  -6.537
  752   1HG   ARG 103          2HG       ARG 103 123.235  -7.205  -7.205
  753   2HG   ARG 103          1HG       ARG 103 122.058  -8.505  -8.505
  754   1HD   ARG 103          2HD       ARG 103 123.671 -10.024 -10.024
  755   2HD   ARG 103          1HD       ARG 103 123.975  -9.255  -9.255
  756    HE   ARG 103           HE       ARG 103 125.127  -7.617  -7.617
  757   1HH1  ARG 103          2HH1      ARG 103 126.388  -8.898  -8.898
  758   2HH1  ARG 103          1HH1      ARG 103 127.690  -9.780  -9.780
  759   1HH2  ARG 103          1HH2      ARG 103 126.412  -9.539  -9.539
  760   2HH2  ARG 103          2HH2      ARG 103 127.707 -10.140 -10.140
  761    H    LEU 104           H        LEU 104 120.109  -9.366  -9.366
  762    HA   LEU 104           HA       LEU 104 118.612  -7.000  -7.000
  763   1HB   LEU 104          2HB       LEU 104 117.897  -9.945  -9.945
  764   2HB   LEU 104          1HB       LEU 104 116.944  -8.604  -8.604
  765    HG   LEU 104           HG       LEU 104 117.316  -7.863  -7.863
  766   1HD1  LEU 104          3HD1      LEU 104 118.303 -10.142 -10.142
  767   2HD1  LEU 104          2HD1      LEU 104 116.746 -10.839 -10.839
  768   3HD1  LEU 104          1HD1      LEU 104 116.873  -9.797  -9.797
  769   1HD2  LEU 104          2HD2      LEU 104 115.181  -8.747  -8.747
  770   2HD2  LEU 104          1HD2      LEU 104 115.098  -7.649  -7.649
  771   3HD2  LEU 104          3HD2      LEU 104 114.919  -9.386  -9.386
  772    H    ASP 105           H        ASP 105 121.232  -9.004  -9.004
  773    HA   ASP 105           HA       ASP 105 120.981  -9.085  -9.085
  774   1HB   ASP 105          2HB       ASP 105 122.988 -10.591 -10.591
  775   2HB   ASP 105          1HB       ASP 105 121.568 -11.166 -11.166
  776    H    VAL 106           H        VAL 106 121.299  -6.509  -6.509
  777    HA   VAL 106           HA       VAL 106 124.228  -5.929  -5.929
  778    HB   VAL 106           HB       VAL 106 122.684  -5.223  -5.223
  779   1HG1  VAL 106          1HG1      VAL 106 121.275  -4.020  -4.020
  780   2HG1  VAL 106          3HG1      VAL 106 122.114  -2.689  -2.689
  781   3HG1  VAL 106          2HG1      VAL 106 121.041  -3.742  -3.742
  782   1HG2  VAL 106          2HG2      VAL 106 125.031  -4.234  -4.234
  783   2HG2  VAL 106          1HG2      VAL 106 124.360  -3.791  -3.791
  784   3HG2  VAL 106          3HG2      VAL 106 124.030  -2.789  -2.789
  785    H    ARG 107           H        ARG 107 124.019  -3.304  -3.304
  786    HA   ARG 107           HA       ARG 107 122.356  -3.282  -3.282
  787   1HB   ARG 107          2HB       ARG 107 124.378  -2.835  -2.835
  788   2HB   ARG 107          1HB       ARG 107 124.510  -4.391  -4.391
  789   1HG   ARG 107          2HG       ARG 107 125.570  -2.659  -2.659
  790   2HG   ARG 107          1HG       ARG 107 126.114  -1.948  -1.948
  791   1HD   ARG 107          2HD       ARG 107 126.558  -4.813  -4.813
  792   2HD   ARG 107          1HD       ARG 107 127.795  -3.561  -3.561
  793    HE   ARG 107           HE       ARG 107 126.122  -4.598  -4.598
  794   1HH1  ARG 107          2HH1      ARG 107 129.095  -5.295  -5.295
  795   2HH1  ARG 107          1HH1      ARG 107 129.974  -4.575  -4.575
  796   1HH2  ARG 107          1HH2      ARG 107 127.236  -2.851  -2.851
  797   2HH2  ARG 107          2HH2      ARG 107 128.923  -3.189  -3.189
  798    H    ASP 108           H        ASP 108 121.759  -1.161  -1.161
  799    HA   ASP 108           HA       ASP 108 122.172   0.942   0.942
  800   1HB   ASP 108          2HB       ASP 108 120.229   0.520   0.520
  801   2HB   ASP 108          1HB       ASP 108 121.255   1.199   1.199
  802    H    ALA 109           H        ALA 109 124.703   0.454   0.454
  803    HA   ALA 109           HA       ALA 109 126.801   1.312   1.312
  804   1HB   ALA 109          3HB       ALA 109 124.810   3.501   3.501
  805   2HB   ALA 109          2HB       ALA 109 126.401   3.760   3.760
  806   3HB   ALA 109          1HB       ALA 109 126.249   3.440   3.440
  807    H    TRP 110           H        TRP 110 124.888   2.859   2.859
  808    HA   TRP 110           HA       TRP 110 126.577   2.440   2.440
  809   1HB   TRP 110          2HB       TRP 110 123.556   2.349   2.349
  810   2HB   TRP 110          1HB       TRP 110 124.434   2.491   2.491
  811    HD1  TRP 110           HD1      TRP 110 126.392   4.602   4.602
  812    HE1  TRP 110           HE1      TRP 110 125.955   7.010   7.010
  813    HE3  TRP 110           HE3      TRP 110 122.162   3.845   3.845
  814    HZ2  TRP 110           HZ2      TRP 110 124.058   8.426   8.426
  815    HZ3  TRP 110           HZ3      TRP 110 121.063   5.737   5.737
  816    HH2  TRP 110           HH2      TRP 110 122.009   8.020   8.020
  817    H    GLY 111           H        GLY 111 123.700   0.364   0.364
  818   1HA   GLY 111          2HA       GLY 111 125.016  -2.127  -2.127
  819   2HA   GLY 111          1HA       GLY 111 124.652  -1.715  -1.715
  820    H    ARG 112           H        ARG 112 122.218  -0.258  -0.258
  821    HA   ARG 112           HA       ARG 112 120.192  -2.107  -2.107
  822   1HB   ARG 112          2HB       ARG 112 120.162   0.444   0.444
  823   2HB   ARG 112          1HB       ARG 112 119.980   0.340   0.340
  824   1HG   ARG 112          2HG       ARG 112 118.023  -1.338  -1.338
  825   2HG   ARG 112          1HG       ARG 112 118.049  -0.412  -0.412
  826   1HD   ARG 112          2HD       ARG 112 118.164   1.267   1.267
  827   2HD   ARG 112          1HD       ARG 112 116.657   0.349   0.349
  828    HE   ARG 112           HE       ARG 112 117.622   1.681   1.681
  829   1HH1  ARG 112          1HH2      ARG 112 114.891   0.867   0.867
  830   2HH1  ARG 112          2HH2      ARG 112 114.094   2.398   2.398
  831   1HH2  ARG 112          2HH1      ARG 112 116.901   4.061   4.061
  832   2HH2  ARG 112          1HH1      ARG 112 115.231   4.203   4.203
  833    H    LEU 113           H        LEU 113 118.892  -3.402  -3.402
  834    HA   LEU 113           HA       LEU 113 119.851  -3.720  -3.720
  835   1HB   LEU 113          2HB       LEU 113 119.373  -5.509  -5.509
  836   2HB   LEU 113          1HB       LEU 113 118.401  -5.989  -5.989
  837    HG   LEU 113           HG       LEU 113 120.565  -5.710  -5.710
  838   1HD1  LEU 113          2HD1      LEU 113 121.637  -5.700  -5.700
  839   2HD1  LEU 113          1HD1      LEU 113 122.623  -6.143  -6.143
  840   3HD1  LEU 113          3HD1      LEU 113 121.945  -4.519  -4.519
  841   1HD2  LEU 113          3HD2      LEU 113 119.807  -7.863  -7.863
  842   2HD2  LEU 113          2HD2      LEU 113 120.038  -7.934  -7.934
  843   3HD2  LEU 113          1HD2      LEU 113 121.435  -7.965  -7.965
  844    HA   PRO 114           HA       PRO 114 115.825  -2.852  -2.852
  845   1HB   PRO 114          2HB       PRO 114 115.410  -4.837  -4.837
  846   2HB   PRO 114          1HB       PRO 114 116.527  -3.486  -3.486
  847   1HG   PRO 114          2HG       PRO 114 117.113  -6.273  -6.273
  848   2HG   PRO 114          1HG       PRO 114 117.984  -5.249  -5.249
  849   1HD   PRO 114          2HD       PRO 114 118.839  -5.623  -5.623
  850   2HD   PRO 114          1HD       PRO 114 119.094  -4.096  -4.096
  851    H    VAL 115           H        VAL 115 116.364  -6.221  -6.221
  852    HA   VAL 115           HA       VAL 115 113.512  -6.808  -6.808
  853    HB   VAL 115           HB       VAL 115 115.075  -8.543  -8.543
  854   1HG1  VAL 115          1HG1      VAL 115 116.601  -7.531  -7.531
  855   2HG1  VAL 115          3HG1      VAL 115 116.758  -9.234  -9.234
  856   3HG1  VAL 115          2HG1      VAL 115 117.188  -7.985  -7.985
  857   1HG2  VAL 115          2HG2      VAL 115 113.367  -8.739  -8.739
  858   2HG2  VAL 115          1HG2      VAL 115 113.906 -10.047 -10.047
  859   3HG2  VAL 115          3HG2      VAL 115 114.825  -9.648  -9.648
  860    H    ASP 116           H        ASP 116 116.085  -5.538  -5.538
  861    HA   ASP 116           HA       ASP 116 114.864  -6.180  -6.180
  862   1HB   ASP 116          2HB       ASP 116 117.318  -5.380  -5.380
  863   2HB   ASP 116          1HB       ASP 116 116.709  -3.879  -3.879
  864    H    LEU 117           H        LEU 117 115.015  -3.217  -3.217
  865    HA   LEU 117           HA       LEU 117 113.564  -1.533  -1.533
  866   1HB   LEU 117          2HB       LEU 117 113.288  -0.124  -0.124
  867   2HB   LEU 117          1HB       LEU 117 114.926  -0.765  -0.765
  868    HG   LEU 117           HG       LEU 117 113.920  -2.720  -2.720
  869   1HD1  LEU 117          3HD1      LEU 117 111.697  -1.007  -1.007
  870   2HD1  LEU 117          2HD1      LEU 117 112.325  -0.752  -0.752
  871   3HD1  LEU 117          1HD1      LEU 117 111.878  -2.374  -2.374
  872   1HD2  LEU 117          3HD2      LEU 117 114.691   0.056   0.056
  873   2HD2  LEU 117          2HD2      LEU 117 115.718  -1.374  -1.374
  874   3HD2  LEU 117          1HD2      LEU 117 114.457  -1.283  -1.283
  875    H    ALA 118           H        ALA 118 112.487  -4.069  -4.069
  876    HA   ALA 118           HA       ALA 118 109.716  -3.159  -3.159
  877   1HB   ALA 118          3HB       ALA 118 111.392  -5.504  -5.504
  878   2HB   ALA 118          2HB       ALA 118 109.659  -5.795  -5.795
  879   3HB   ALA 118          1HB       ALA 118 110.252  -4.582  -4.582
  880    H    GLU 119           H        GLU 119 111.388  -5.746  -5.746
  881    HA   GLU 119           HA       GLU 119 109.225  -6.769  -6.769
  882   1HB   GLU 119          2HB       GLU 119 112.164  -6.546  -6.546
  883   2HB   GLU 119          1HB       GLU 119 111.329  -6.819  -6.819
  884   1HG   GLU 119          2HG       GLU 119 110.254  -8.496  -8.496
  885   2HG   GLU 119          1HG       GLU 119 111.978  -8.771  -8.771
  886    H    GLU 120           H        GLU 120 111.032  -3.774  -3.774
  887    HA   GLU 120           HA       GLU 120 109.760  -3.212  -3.212
  888   1HB   GLU 120          2HB       GLU 120 111.839  -2.041  -2.041
  889   2HB   GLU 120          1HB       GLU 120 111.054  -0.956  -0.956
  890   1HG   GLU 120          2HG       GLU 120 111.558  -2.699  -2.699
  891   2HG   GLU 120          1HG       GLU 120 112.588  -3.493  -3.493
  892    H    LEU 121           H        LEU 121 109.767  -1.698  -1.698
  893    HA   LEU 121           HA       LEU 121 107.785   0.270   0.270
  894   1HB   LEU 121          2HB       LEU 121 108.971  -1.108  -1.108
  895   2HB   LEU 121          1HB       LEU 121 107.499  -0.178  -0.178
  896    HG   LEU 121           HG       LEU 121 109.890   0.955   0.955
  897   1HD1  LEU 121          2HD1      LEU 121 110.119   0.188   0.188
  898   2HD1  LEU 121          1HD1      LEU 121 109.271   1.710   1.710
  899   3HD1  LEU 121          3HD1      LEU 121 110.819   1.702   1.702
  900   1HD2  LEU 121          2HD2      LEU 121 107.409   1.876   1.876
  901   2HD2  LEU 121          1HD2      LEU 121 108.764   2.991   2.991
  902   3HD2  LEU 121          3HD2      LEU 121 107.833   2.499   2.499
  903    H    GLY 122           H        GLY 122 106.851  -2.070  -2.070
  904   1HA   GLY 122          2HA       GLY 122 104.928  -3.555  -3.555
  905   2HA   GLY 122          1HA       GLY 122 104.132  -2.140  -2.140
  906    H    HIS 123           H        HIS 123 106.785  -4.010  -4.010
  907    HA   HIS 123           HA       HIS 123 104.924  -4.730  -4.730
  908   1HB   HIS 123          2HB       HIS 123 107.917  -4.262  -4.262
  909   2HB   HIS 123          1HB       HIS 123 106.777  -4.305  -4.305
  910    HD1  HIS 123           HD1      HIS 123 104.649  -2.411  -2.411
  911    HD2  HIS 123           HD2      HIS 123 108.539  -1.626  -1.626
  912    HE1  HIS 123           HE1      HIS 123 104.783   0.088   0.088
  913    H    ARG 124           H        ARG 124 105.085  -6.457  -6.457
  914    HA   ARG 124           HA       ARG 124 107.073  -8.388  -8.388
  915   1HB   ARG 124          2HB       ARG 124 104.365  -8.030  -8.030
  916   2HB   ARG 124          1HB       ARG 124 104.430  -9.595  -9.595
  917   1HG   ARG 124          2HG       ARG 124 105.521 -10.550 -10.550
  918   2HG   ARG 124          1HG       ARG 124 106.671  -9.215  -9.215
  919   1HD   ARG 124          2HD       ARG 124 105.617  -8.671  -8.671
  920   2HD   ARG 124          1HD       ARG 124 104.279  -8.102  -8.102
  921    HE   ARG 124           HE       ARG 124 104.212 -10.476 -10.476
  922   1HH1  ARG 124          2HH1      ARG 124 101.967  -8.900  -8.900
  923   2HH1  ARG 124          1HH1      ARG 124 101.313 -10.171 -10.171
  924   1HH2  ARG 124          1HH2      ARG 124 104.003 -12.301 -12.301
  925   2HH2  ARG 124          2HH2      ARG 124 102.459 -12.103 -12.103
  926    H    ASP 125           H        ASP 125 104.303  -8.560  -8.560
  927    HA   ASP 125           HA       ASP 125 104.982 -10.902 -10.902
  928   1HB   ASP 125          2HB       ASP 125 103.834  -8.280  -8.280
  929   2HB   ASP 125          1HB       ASP 125 103.746  -9.808  -9.808
  930    H    VAL 126           H        VAL 126 106.339  -7.638  -7.638
  931    HA   VAL 126           HA       VAL 126 108.017  -8.430  -8.430
  932    HB   VAL 126           HB       VAL 126 108.335  -5.913  -5.913
  933   1HG1  VAL 126          1HG1      VAL 126 108.780  -6.835  -6.835
  934   2HG1  VAL 126          3HG1      VAL 126 108.483  -5.126  -5.126
  935   3HG1  VAL 126          2HG1      VAL 126 109.860  -5.926  -5.926
  936   1HG2  VAL 126          1HG2      VAL 126 106.036  -6.707  -6.707
  937   2HG2  VAL 126          3HG2      VAL 126 105.983  -5.880  -5.880
  938   3HG2  VAL 126          2HG2      VAL 126 106.530  -5.018  -5.018
  939    H    ALA 127           H        ALA 127 108.350  -7.908  -7.908
  940    HA   ALA 127           HA       ALA 127 111.200  -8.075  -8.075
  941   1HB   ALA 127          3HB       ALA 127 108.878  -7.995  -7.995
  942   2HB   ALA 127          2HB       ALA 127 109.936  -9.283  -9.283
  943   3HB   ALA 127          1HB       ALA 127 110.549  -7.636  -7.636
  944    H    ARG 128           H        ARG 128 108.676 -10.602 -10.602
  945    HA   ARG 128           HA       ARG 128 110.464 -12.819 -12.819
  946   1HB   ARG 128          2HB       ARG 128 108.123 -12.999 -12.999
  947   2HB   ARG 128          1HB       ARG 128 107.664 -12.475 -12.475
  948   1HG   ARG 128          2HG       ARG 128 109.285 -14.736 -14.736
  949   2HG   ARG 128          1HG       ARG 128 108.267 -15.153 -15.153
  950   1HD   ARG 128          2HD       ARG 128 106.325 -15.089 -15.089
  951   2HD   ARG 128          1HD       ARG 128 106.929 -13.803 -13.803
  952    HE   ARG 128           HE       ARG 128 108.440 -16.275 -16.275
  953   1HH1  ARG 128          1HH2      ARG 128 105.673 -17.199 -17.199
  954   2HH1  ARG 128          2HH2      ARG 128 105.432 -16.870 -16.870
  955   1HH2  ARG 128          2HH1      ARG 128 108.118 -14.687 -14.687
  956   2HH2  ARG 128          1HH1      ARG 128 106.818 -15.445 -15.445
  957    H    TYR 129           H        TYR 129 108.784 -11.706 -11.706
  958    HA   TYR 129           HA       TYR 129 110.052 -13.449 -13.449
  959   1HB   TYR 129          2HB       TYR 129 108.110 -11.959 -11.959
  960   2HB   TYR 129          1HB       TYR 129 109.179 -10.560 -10.560
  961    HD1  TYR 129           HD2      TYR 129 111.183 -10.495 -10.495
  962    HD2  TYR 129           HD1      TYR 129 107.838 -13.144 -13.144
  963    HE1  TYR 129           HE2      TYR 129 111.764 -10.796 -10.796
  964    HE2  TYR 129           HE1      TYR 129 108.421 -13.454 -13.454
  965    HH   TYR 129           HH       TYR 129 110.655 -13.244 -13.244
  966    H    LEU 130           H        LEU 130 111.109 -10.273 -10.273
  967    HA   LEU 130           HA       LEU 130 113.465 -10.029 -10.029
  968   1HB   LEU 130          2HB       LEU 130 112.472  -8.942  -8.942
  969   2HB   LEU 130          1HB       LEU 130 114.125  -8.602  -8.602
  970    HG   LEU 130           HG       LEU 130 111.580  -7.883  -7.883
  971   1HD1  LEU 130          3HD1      LEU 130 113.765  -6.375  -6.375
  972   2HD1  LEU 130          2HD1      LEU 130 112.774  -5.588  -5.588
  973   3HD1  LEU 130          1HD1      LEU 130 112.020  -6.254  -6.254
  974   1HD2  LEU 130          3HD2      LEU 130 114.464  -7.929  -7.929
  975   2HD2  LEU 130          2HD2      LEU 130 113.034  -8.447  -8.447
  976   3HD2  LEU 130          1HD2      LEU 130 113.357  -6.729  -6.729
  977    H    ARG 131           H        ARG 131 113.014 -11.209 -11.209
  978    HA   ARG 131           HA       ARG 131 115.660 -11.959 -11.959
  979   1HB   ARG 131          2HB       ARG 131 113.099 -12.199 -12.199
  980   2HB   ARG 131          1HB       ARG 131 113.642 -13.866 -13.866
  981   1HG   ARG 131          2HG       ARG 131 115.631 -13.425 -13.425
  982   2HG   ARG 131          1HG       ARG 131 115.308 -11.690 -11.690
  983   1HD   ARG 131          2HD       ARG 131 114.606 -12.611 -12.611
  984   2HD   ARG 131          1HD       ARG 131 113.154 -12.167 -12.167
  985    HE   ARG 131           HE       ARG 131 113.623 -14.775 -14.775
  986   1HH1  ARG 131          2HH1      ARG 131 113.144 -13.122 -13.122
  987   2HH1  ARG 131          1HH1      ARG 131 112.554 -14.532 -14.532
  988   1HH2  ARG 131          1HH2      ARG 131 112.921 -16.612 -16.612
  989   2HH2  ARG 131          2HH2      ARG 131 112.428 -16.497 -16.497
  990    H    ALA 132           H        ALA 132 113.310 -13.542 -13.542
  991    HA   ALA 132           HA       ALA 132 114.794 -16.061 -16.061
  992   1HB   ALA 132          2HB       ALA 132 112.290 -15.734 -15.734
  993   2HB   ALA 132          1HB       ALA 132 112.594 -14.944 -14.944
  994   3HB   ALA 132          3HB       ALA 132 113.019 -16.641 -16.641
  995    H    ALA 133           H        ALA 133 114.285 -13.203 -13.203
  996    HA   ALA 133           HA       ALA 133 116.135 -14.227 -14.227
  997   1HB   ALA 133          1HB       ALA 133 114.054 -13.011 -13.011
  998   2HB   ALA 133          3HB       ALA 133 114.652 -11.603 -11.603
  999   3HB   ALA 133          2HB       ALA 133 115.466 -12.134 -12.134
 1000    H    ALA 134           H        ALA 134 116.389 -12.437 -12.437
 1001    HA   ALA 134           HA       ALA 134 118.985 -11.221 -11.221
 1002   1HB   ALA 134          3HB       ALA 134 117.180  -9.645  -9.645
 1003   2HB   ALA 134          2HB       ALA 134 117.038 -10.434 -10.434
 1004   3HB   ALA 134          1HB       ALA 134 118.512  -9.563  -9.563
 1005    H    GLY 135           H        GLY 135 117.380 -13.279 -13.279
 1006   1HA   GLY 135          2HA       GLY 135 119.509 -13.328 -13.328
 1007   2HA   GLY 135          1HA       GLY 135 118.221 -14.525 -14.525
 1008    H    GLY 136           H        GLY 136 121.529 -13.979 -13.979
 1009   1HA   GLY 136          2HA       GLY 136 121.771 -16.234 -16.234
 1010   2HA   GLY 136          1HA       GLY 136 123.064 -15.108 -15.108
 1011    H    THR 137           H        THR 137 120.986 -17.589 -17.589
 1012    HA   THR 137           HA       THR 137 122.473 -18.013 -18.013
 1013    HB   THR 137           HB       THR 137 120.241 -18.978 -18.978
 1014    HG1  THR 137           HG1      THR 137 120.880 -20.056 -20.056
 1015   1HG2  THR 137          1HG2      THR 137 121.613 -19.887 -19.887
 1016   2HG2  THR 137          3HG2      THR 137 121.429 -21.346 -21.346
 1017   3HG2  THR 137          2HG2      THR 137 120.007 -20.418 -20.418
 1018    H    ARG 138           H        ARG 138 124.429 -19.015 -19.015
 1019    HA   ARG 138           HA       ARG 138 125.708 -20.650 -20.650
 1020   1HB   ARG 138          2HB       ARG 138 126.227 -18.000 -18.000
 1021   2HB   ARG 138          1HB       ARG 138 127.410 -18.660 -18.660
 1022   1HG   ARG 138          2HG       ARG 138 128.222 -20.190 -20.190
 1023   2HG   ARG 138          1HG       ARG 138 127.090 -19.444 -19.444
 1024   1HD   ARG 138          2HD       ARG 138 128.751 -17.478 -17.478
 1025   2HD   ARG 138          1HD       ARG 138 129.680 -18.582 -18.582
 1026    HE   ARG 138           HE       ARG 138 127.457 -16.829 -16.829
 1027   1HH1  ARG 138          1HH2      ARG 138 129.053 -19.661 -19.661
 1028   2HH1  ARG 138          2HH2      ARG 138 129.532 -19.130 -19.130
 1029   1HH2  ARG 138          2HH1      ARG 138 128.484 -15.859 -15.859
 1030   2HH2  ARG 138          1HH1      ARG 138 129.199 -16.977 -16.977
 1031    H    GLY 139           H        GLY 139 127.777 -21.693 -21.693
 1032   1HA   GLY 139          2HA       GLY 139 127.849 -21.939 -21.939
 1033   2HA   GLY 139          1HA       GLY 139 127.446 -23.409 -23.409
 1034    H    SER 140           H        SER 140 129.128 -24.623 -24.623
 1035    HA   SER 140           HA       SER 140 131.713 -23.410 -23.410
 1036   1HB   SER 140          2HB       SER 140 131.272 -23.896 -23.896
 1037   2HB   SER 140          1HB       SER 140 131.914 -25.459 -25.459
 1038    HG   SER 140           HG       SER 140 133.742 -24.417 -24.417
 1039    H    ASN 141           H        ASN 141 129.797 -25.081 -25.081
 1040    HA   ASN 141           HA       ASN 141 131.599 -27.098 -27.098
 1041   1HB   ASN 141          2HB       ASN 141 130.548 -29.063 -29.063
 1042   2HB   ASN 141          1HB       ASN 141 130.797 -27.992 -27.992
 1043   1HD2  ASN 141          1HD2      ASN 141 128.766 -26.415 -26.415
 1044   2HD2  ASN 141          2HD2      ASN 141 127.248 -27.165 -27.165
 1045    H    HIS 142           H        HIS 142 130.467 -28.458 -28.458
 1046    HA   HIS 142           HA       HIS 142 128.201 -26.917 -26.917
 1047   1HB   HIS 142          2HB       HIS 142 130.669 -27.534 -27.534
 1048   2HB   HIS 142          1HB       HIS 142 129.730 -28.903 -28.903
 1049    HD1  HIS 142           HD1      HIS 142 130.704 -25.687 -25.687
 1050    HD2  HIS 142           HD2      HIS 142 127.061 -27.714 -27.714
 1051    HE1  HIS 142           HE1      HIS 142 129.283 -24.548 -24.548
 1052    H    ALA 143           H        ALA 143 126.833 -28.240 -28.240
 1053    HA   ALA 143           HA       ALA 143 126.126 -30.865 -30.865
 1054   1HB   ALA 143          2HB       ALA 143 127.556 -30.825 -30.825
 1055   2HB   ALA 143          1HB       ALA 143 126.029 -30.400 -30.400
 1056   3HB   ALA 143          3HB       ALA 143 126.178 -31.922 -31.922
 1057    H    ARG 144           H        ARG 144 125.099 -28.272 -28.272
 1058    HA   ARG 144           HA       ARG 144 122.354 -28.912 -28.912
 1059   1HB   ARG 144          2HB       ARG 144 123.661 -27.187 -27.187
 1060   2HB   ARG 144          1HB       ARG 144 123.636 -26.169 -26.169
 1061   1HG   ARG 144          2HG       ARG 144 121.025 -26.639 -26.639
 1062   2HG   ARG 144          1HG       ARG 144 121.391 -26.909 -26.909
 1063   1HD   ARG 144          2HD       ARG 144 122.737 -24.517 -24.517
 1064   2HD   ARG 144          1HD       ARG 144 120.983 -24.416 -24.416
 1065    HE   ARG 144           HE       ARG 144 120.679 -24.568 -24.568
 1066   1HH1  ARG 144          2HH1      ARG 144 123.412 -23.085 -23.085
 1067   2HH1  ARG 144          1HH1      ARG 144 124.284 -23.904 -23.904
 1068   1HH2  ARG 144          1HH2      ARG 144 122.016 -26.516 -26.516
 1069   2HH2  ARG 144          2HH2      ARG 144 123.492 -25.848 -25.848
 1070    H    ILE 145           H        ILE 145 120.573 -28.466 -28.466
 1071    HA   ILE 145           HA       ILE 145 120.527 -26.689 -26.689
 1072    HB   ILE 145           HB       ILE 145 122.094 -28.229 -28.229
 1073   1HG1  ILE 145          2HG1      ILE 145 119.692 -29.422 -29.422
 1074   2HG1  ILE 145          1HG1      ILE 145 119.669 -27.661 -27.661
 1075   1HG2  ILE 145          3HG2      ILE 145 121.510 -30.088 -30.088
 1076   2HG2  ILE 145          2HG2      ILE 145 120.189 -30.505 -30.505
 1077   3HG2  ILE 145          1HG2      ILE 145 121.857 -30.599 -30.599
 1078   1HD1  ILE 145          2HD1      ILE 145 122.226 -28.081 -28.081
 1079   2HD1  ILE 145          1HD1      ILE 145 121.406 -29.441 -29.441
 1080   3HD1  ILE 145          3HD1      ILE 145 120.875 -27.791 -27.791
 1081    H    ASP 146           H        ASP 146 118.626 -26.630 -26.630
 1082    HA   ASP 146           HA       ASP 146 116.603 -28.498 -28.498
 1083   1HB   ASP 146          2HB       ASP 146 116.878 -25.556 -25.556
 1084   2HB   ASP 146          1HB       ASP 146 115.228 -26.138 -26.138
 1085    H    ALA 147           H        ALA 147 115.596 -29.681 -29.681
 1086    HA   ALA 147           HA       ALA 147 114.520 -30.230 -30.230
 1087   1HB   ALA 147          1HB       ALA 147 113.735 -27.517 -27.517
 1088   2HB   ALA 147          3HB       ALA 147 113.493 -27.823 -27.823
 1089   3HB   ALA 147          2HB       ALA 147 112.726 -28.865 -28.865
 1090    H    ALA 148           H        ALA 148 116.397 -30.729 -30.729
 1091    HA   ALA 148           HA       ALA 148 118.210 -28.922 -28.922
 1092   1HB   ALA 148          2HB       ALA 148 118.388 -31.410 -31.410
 1093   2HB   ALA 148          1HB       ALA 148 117.127 -31.544 -31.544
 1094   3HB   ALA 148          3HB       ALA 148 118.679 -30.813 -30.813
 1095    H    GLU 149           H        GLU 149 117.843 -27.345 -27.345
 1096    HA   GLU 149           HA       GLU 149 115.304 -27.185 -27.185
 1097   1HB   GLU 149          2HB       GLU 149 117.854 -25.539 -25.539
 1098   2HB   GLU 149          1HB       GLU 149 116.398 -25.071 -25.071
 1099   1HG   GLU 149          2HG       GLU 149 115.171 -24.716 -24.716
 1100   2HG   GLU 149          1HG       GLU 149 116.223 -25.753 -25.753
 1101    H    GLY 150           H        GLY 150 115.355 -26.853 -26.853
 1102   1HA   GLY 150          2HA       GLY 150 117.044 -27.160 -27.160
 1103   2HA   GLY 150          1HA       GLY 150 117.314 -28.739 -28.739
 1104    HA   PRO 151           HA       PRO 151 113.486 -28.783 -28.783
 1105   1HB   PRO 151          2HB       PRO 151 114.512 -29.409 -29.409
 1106   2HB   PRO 151          1HB       PRO 151 114.269 -27.738 -27.738
 1107   1HG   PRO 151          2HG       PRO 151 116.762 -29.287 -29.287
 1108   2HG   PRO 151          1HG       PRO 151 116.499 -27.542 -27.542
 1109   1HD   PRO 151          2HD       PRO 151 117.524 -28.982 -28.982
 1110   2HD   PRO 151          1HD       PRO 151 117.014 -27.280 -27.280
 1111    H    SER 152           H        SER 152 112.845 -30.744 -30.744
 1112    HA   SER 152           HA       SER 152 114.438 -33.184 -33.184
 1113   1HB   SER 152          2HB       SER 152 111.566 -33.240 -33.240
 1114   2HB   SER 152          1HB       SER 152 112.955 -33.987 -33.987
 1115    HG   SER 152           HG       SER 152 112.043 -32.193 -32.193
 1116    H    ASP 153           H        ASP 153 112.279 -35.018 -35.018
 1117    HA   ASP 153           HA       ASP 153 112.257 -35.046 -35.046
 1118   1HB   ASP 153          2HB       ASP 153 112.243 -36.953 -36.953
 1119   2HB   ASP 153          1HB       ASP 153 110.497 -36.696 -36.696
 1120    H    ILE 154           H        ILE 154 110.388 -34.799 -34.799
 1121    HA   ILE 154           HA       ILE 154 107.748 -34.166 -34.166
 1122    HB   ILE 154           HB       ILE 154 108.659 -32.176 -32.176
 1123   1HG1  ILE 154          2HG1      ILE 154 107.980 -31.076 -31.076
 1124   2HG1  ILE 154          1HG1      ILE 154 106.735 -31.928 -31.928
 1125   1HG2  ILE 154          2HG2      ILE 154 110.349 -32.132 -32.132
 1126   2HG2  ILE 154          1HG2      ILE 154 110.117 -30.668 -30.668
 1127   3HG2  ILE 154          3HG2      ILE 154 110.863 -32.090 -32.090
 1128   1HD1  ILE 154          3HD1      ILE 154 107.169 -30.426 -30.426
 1129   2HD1  ILE 154          2HD1      ILE 154 108.345 -29.543 -29.543
 1130   3HD1  ILE 154          1HD1      ILE 154 106.641 -29.533 -29.533
 1131    HA   PRO 155           HA       PRO 155 108.127 -35.115 -35.115
 1132   1HB   PRO 155          2HB       PRO 155 105.772 -36.504 -36.504
 1133   2HB   PRO 155          1HB       PRO 155 107.300 -37.240 -37.240
 1134   1HG   PRO 155          2HG       PRO 155 105.023 -36.232 -36.232
 1135   2HG   PRO 155          1HG       PRO 155 106.010 -37.688 -37.688
 1136   1HD   PRO 155          2HD       PRO 155 106.381 -35.431 -35.431
 1137   2HD   PRO 155          1HD       PRO 155 107.707 -36.543 -36.543
 1138    H    ASP 156           HN       ASP 156 107.414 -33.641 -33.641
 1139    HA   ASP 156           HA       ASP 156 104.773 -32.299 -32.299
 1140   1HB   ASP 156          2HB       ASP 156 107.517 -31.291 -31.291
 1141   2HB   ASP 156          1HB       ASP 156 106.373 -30.499 -30.499

  Start of MODEL    3
    1   1H    MET   1          1H        MET   1 105.878  31.026  31.026
    2   2H    MET   1          3H        MET   1 106.522  30.708  30.708
    3   3H    MET   1          2H        MET   1 104.932  30.233  30.233
    4    HA   MET   1           HA       MET   1 105.634  28.515  28.515
    5   1HB   MET   1          2HB       MET   1 106.040  28.498  28.498
    6   2HB   MET   1          1HB       MET   1 107.744  28.512  28.512
    7   1HG   MET   1          2HG       MET   1 107.181  26.212  26.212
    8   2HG   MET   1          1HG       MET   1 107.179  26.540  26.540
    9   1HE   MET   1          3HE       MET   1 105.894  26.024  26.024
   10   2HE   MET   1          2HE       MET   1 104.275  26.717  26.717
   11   3HE   MET   1          1HE       MET   1 104.476  24.985  24.985
   12    H    GLU   2           H        GLU   2 106.748  30.597  30.597
   13    HA   GLU   2           HA       GLU   2 109.602  30.663  30.663
   14   1HB   GLU   2          2HB       GLU   2 107.255  31.546  31.546
   15   2HB   GLU   2          1HB       GLU   2 108.642  31.188  31.188
   16   1HG   GLU   2          2HG       GLU   2 109.107  33.391  33.391
   17   2HG   GLU   2          1HG       GLU   2 109.948  32.565  32.565
   18    HA   PRO   3           HA       PRO   3 109.289  27.351  27.351
   19   1HB   PRO   3          2HB       PRO   3 106.881  26.132  26.132
   20   2HB   PRO   3          1HB       PRO   3 107.374  27.619  27.619
   21   1HG   PRO   3          2HG       PRO   3 105.538  27.263  27.263
   22   2HG   PRO   3          1HG       PRO   3 105.436  28.391  28.391
   23   1HD   PRO   3          2HD       PRO   3 106.291  29.083  29.083
   24   2HD   PRO   3          1HD       PRO   3 106.763  29.938  29.938
   25    H    ALA   4           H        ALA   4 110.454  26.010  26.010
   26    HA   ALA   4           HA       ALA   4 108.837  23.984  23.984
   27   1HB   ALA   4          1HB       ALA   4 110.206  26.033  26.033
   28   2HB   ALA   4          3HB       ALA   4 111.485  24.821  24.821
   29   3HB   ALA   4          2HB       ALA   4 109.990  24.471  24.471
   30    H    ALA   5           H        ALA   5 109.730  23.463  23.463
   31    HA   ALA   5           HA       ALA   5 111.093  22.006  22.006
   32   1HB   ALA   5          2HB       ALA   5 109.886  20.514  20.514
   33   2HB   ALA   5          1HB       ALA   5 111.184  20.708  20.708
   34   3HB   ALA   5          3HB       ALA   5 111.497  19.891  19.891
   35    H    GLY   6           H        GLY   6 112.751  23.893  23.893
   36   1HA   GLY   6          2HA       GLY   6 115.053  24.410  24.410
   37   2HA   GLY   6          1HA       GLY   6 115.357  22.802  22.802
   38    H    SER   7           H        SER   7 115.415  22.530  22.530
   39    HA   SER   7           HA       SER   7 115.101  25.009  25.009
   40   1HB   SER   7          2HB       SER   7 117.501  24.180  24.180
   41   2HB   SER   7          1HB       SER   7 117.296  23.038  23.038
   42    HG   SER   7           HG       SER   7 117.609  24.612  24.612
   43    H    SER   8           H        SER   8 115.815  23.866  23.866
   44    HA   SER   8           HA       SER   8 113.867  21.605  21.605
   45   1HB   SER   8          2HB       SER   8 114.297  23.505  23.505
   46   2HB   SER   8          1HB       SER   8 112.806  22.763  22.763
   47    HG   SER   8           HG       SER   8 112.627  24.290  24.290
   48    H    MET   9           H        MET   9 116.984  21.969  21.969
   49    HA   MET   9           HA       MET   9 117.930  21.155  21.155
   50   1HB   MET   9          2HB       MET   9 118.974  22.157  22.157
   51   2HB   MET   9          1HB       MET   9 119.635  20.525  20.525
   52   1HG   MET   9          2HG       MET   9 120.705  20.959  20.959
   53   2HG   MET   9          1HG       MET   9 119.689  22.361  22.361
   54   1HE   MET   9          2HE       MET   9 122.037  20.626  20.626
   55   2HE   MET   9          1HE       MET   9 123.460  21.622  21.622
   56   3HE   MET   9          3HE       MET   9 122.597  21.741  21.741
   57    H    GLU  10           H        GLU  10 117.148  19.168  19.168
   58    HA   GLU  10           HA       GLU  10 116.780  16.834  16.834
   59   1HB   GLU  10          2HB       GLU  10 119.207  17.421  17.421
   60   2HB   GLU  10          1HB       GLU  10 118.490  15.866  15.866
   61   1HG   GLU  10          2HG       GLU  10 119.650  15.116  15.116
   62   2HG   GLU  10          1HG       GLU  10 118.305  15.801  15.801
   63    HA   PRO  11           HA       PRO  11 114.070  15.704  15.704
   64   1HB   PRO  11          2HB       PRO  11 114.518  13.035  13.035
   65   2HB   PRO  11          1HB       PRO  11 113.700  13.670  13.670
   66   1HG   PRO  11          2HG       PRO  11 116.512  12.764  12.764
   67   2HG   PRO  11          1HG       PRO  11 115.415  12.552  12.552
   68   1HD   PRO  11          2HD       PRO  11 117.402  14.423  14.423
   69   2HD   PRO  11          1HD       PRO  11 115.917  14.598  14.598
   70    H    SER  12           H        SER  12 114.026  15.602  15.602
   71    HA   SER  12           HA       SER  12 116.634  15.748  15.748
   72   1HB   SER  12          2HB       SER  12 114.697  17.281  17.281
   73   2HB   SER  12          1HB       SER  12 113.785  15.906  15.906
   74    HG   SER  12           HG       SER  12 116.093  17.149  17.149
   75    H    ALA  13           H        ALA  13 117.584  13.883  13.883
   76    HA   ALA  13           HA       ALA  13 116.254  11.335  11.335
   77   1HB   ALA  13          1HB       ALA  13 118.856  12.462  12.462
   78   2HB   ALA  13          3HB       ALA  13 118.425  10.765  10.765
   79   3HB   ALA  13          2HB       ALA  13 118.606  11.436  11.436
   80    H    ASP  14           H        ASP  14 116.253  13.969  13.969
   81    HA   ASP  14           HA       ASP  14 115.995  12.447  12.447
   82   1HB   ASP  14          2HB       ASP  14 116.698  14.900  14.900
   83   2HB   ASP  14          1HB       ASP  14 114.973  15.237  15.237
   84    H    TRP  15           H        TRP  15 113.912  12.814  12.814
   85    HA   TRP  15           HA       TRP  15 111.382  13.017  13.017
   86   1HB   TRP  15          2HB       TRP  15 112.226  12.249  12.249
   87   2HB   TRP  15          1HB       TRP  15 110.536  12.358  12.358
   88    HD1  TRP  15           HD1      TRP  15 112.514  14.873  14.873
   89    HE1  TRP  15           HE1      TRP  15 112.220  17.207  17.207
   90    HE3  TRP  15           HE3      TRP  15 110.275  13.583  13.583
   91    HZ2  TRP  15           HZ2      TRP  15 111.177  18.374  18.374
   92    HZ3  TRP  15           HZ3      TRP  15 109.642  15.326  15.326
   93    HH2  TRP  15           HH2      TRP  15 110.090  17.719  17.719
   94    H    LEU  16           H        LEU  16 113.630  10.500  10.500
   95    HA   LEU  16           HA       LEU  16 111.750   8.263   8.263
   96   1HB   LEU  16          2HB       LEU  16 113.804   7.692   7.692
   97   2HB   LEU  16          1HB       LEU  16 114.671   8.816   8.816
   98    HG   LEU  16           HG       LEU  16 114.294   7.265   7.265
   99   1HD1  LEU  16          3HD1      LEU  16 113.063   5.603   5.603
  100   2HD1  LEU  16          2HD1      LEU  16 113.643   4.888   4.888
  101   3HD1  LEU  16          1HD1      LEU  16 112.338   6.070   6.070
  102   1HD2  LEU  16          2HD2      LEU  16 116.032   6.912   6.912
  103   2HD2  LEU  16          1HD2      LEU  16 116.351   6.554   6.554
  104   3HD2  LEU  16          3HD2      LEU  16 115.617   5.330   5.330
  105    H    ALA  17           H        ALA  17 113.895   9.637   9.637
  106    HA   ALA  17           HA       ALA  17 112.742   7.991   7.991
  107   1HB   ALA  17          1HB       ALA  17 114.587  10.399  10.399
  108   2HB   ALA  17          3HB       ALA  17 114.272   9.395   9.395
  109   3HB   ALA  17          2HB       ALA  17 115.083   8.707   8.707
  110    H    THR  18           H        THR  18 112.344  11.339  11.339
  111    HA   THR  18           HA       THR  18 110.835  12.307  12.307
  112    HB   THR  18           HB       THR  18 111.957  13.420  13.420
  113    HG1  THR  18           HG1      THR  18 109.626  14.695  14.695
  114   1HG2  THR  18          1HG2      THR  18 110.328  12.391  12.391
  115   2HG2  THR  18          3HG2      THR  18 109.031  13.276  13.276
  116   3HG2  THR  18          2HG2      THR  18 110.297  14.154  14.154
  117    H    ALA  19           H        ALA  19 109.836  10.699  10.699
  118    HA   ALA  19           HA       ALA  19 107.004  10.933  10.933
  119   1HB   ALA  19          3HB       ALA  19 108.887   9.172   9.172
  120   2HB   ALA  19          2HB       ALA  19 107.184   8.727   8.727
  121   3HB   ALA  19          1HB       ALA  19 107.656  10.282  10.282
  122    H    ALA  20           H        ALA  20 109.348   8.386   8.386
  123    HA   ALA  20           HA       ALA  20 107.504   6.593   6.593
  124   1HB   ALA  20          2HB       ALA  20 109.847   6.117   6.117
  125   2HB   ALA  20          1HB       ALA  20 110.434   7.139   7.139
  126   3HB   ALA  20          3HB       ALA  20 109.568   5.649   5.649
  127    H    ALA  21           H        ALA  21 109.717   8.992   8.992
  128    HA   ALA  21           HA       ALA  21 108.893   8.755   8.755
  129   1HB   ALA  21          1HB       ALA  21 110.787  10.085  10.085
  130   2HB   ALA  21          3HB       ALA  21 109.588  11.371  11.371
  131   3HB   ALA  21          2HB       ALA  21 110.068  10.792  10.792
  132    H    ARG  22           H        ARG  22 107.216  10.220  10.220
  133    HA   ARG  22           HA       ARG  22 105.401  11.781  11.781
  134   1HB   ARG  22          2HB       ARG  22 106.133  11.510  11.510
  135   2HB   ARG  22          1HB       ARG  22 104.407  11.774  11.774
  136   1HG   ARG  22          2HG       ARG  22 104.716  13.874  13.874
  137   2HG   ARG  22          1HG       ARG  22 106.299  13.470  13.470
  138   1HD   ARG  22          2HD       ARG  22 107.334  14.328  14.328
  139   2HD   ARG  22          1HD       ARG  22 106.353  13.316  13.316
  140    HE   ARG  22           HE       ARG  22 105.179  15.796  15.796
  141   1HH1  ARG  22          2HH1      ARG  22 104.040  13.750  13.750
  142   2HH1  ARG  22          1HH1      ARG  22 104.120  14.730  14.730
  143   1HH2  ARG  22          1HH2      ARG  22 106.187  17.115  17.115
  144   2HH2  ARG  22          2HH2      ARG  22 105.339  16.632  16.632
  145    H    GLY  23           H        GLY  23 105.511   8.737   8.737
  146   1HA   GLY  23          2HA       GLY  23 104.046   6.901   6.901
  147   2HA   GLY  23          1HA       GLY  23 102.883   8.105   8.105
  148    H    ARG  24           H        ARG  24 104.437   8.143   8.143
  149    HA   ARG  24           HA       ARG  24 101.748   7.658   7.658
  150   1HB   ARG  24          2HB       ARG  24 103.139   9.940   9.940
  151   2HB   ARG  24          1HB       ARG  24 103.941   9.165   9.165
  152   1HG   ARG  24          2HG       ARG  24 102.222   9.850   9.850
  153   2HG   ARG  24          1HG       ARG  24 101.207   8.694   8.694
  154   1HD   ARG  24          2HD       ARG  24 100.645  10.408  10.408
  155   2HD   ARG  24          1HD       ARG  24 101.700  11.572  11.572
  156    HE   ARG  24           HE       ARG  24  99.969  10.558  10.558
  157   1HH1  ARG  24          2HH1      ARG  24  98.278  10.752  10.752
  158   2HH1  ARG  24          1HH1      ARG  24  97.498  12.273  12.273
  159   1HH2  ARG  24          1HH2      ARG  24  99.608  13.189  13.189
  160   2HH2  ARG  24          2HH2      ARG  24  98.249  13.651  13.651
  161    H    VAL  25           H        VAL  25 101.870   5.524   5.524
  162    HA   VAL  25           HA       VAL  25 104.304   4.266   4.266
  163    HB   VAL  25           HB       VAL  25 101.351   3.582   3.582
  164   1HG1  VAL  25          3HG1      VAL  25 102.763   2.453   2.453
  165   2HG1  VAL  25          2HG1      VAL  25 103.705   1.732   1.732
  166   3HG1  VAL  25          1HG1      VAL  25 101.993   1.344   1.344
  167   1HG2  VAL  25          2HG2      VAL  25 102.363   3.719   3.719
  168   2HG2  VAL  25          1HG2      VAL  25 101.883   2.074   2.074
  169   3HG2  VAL  25          3HG2      VAL  25 103.579   2.544   2.544
  170    H    GLU  26           H        GLU  26 101.275   5.151   5.151
  171    HA   GLU  26           HA       GLU  26 102.018   4.614   4.614
  172   1HB   GLU  26          2HB       GLU  26 100.235   6.544   6.544
  173   2HB   GLU  26          1HB       GLU  26 100.519   6.827   6.827
  174   1HG   GLU  26          2HG       GLU  26  99.870   4.460   4.460
  175   2HG   GLU  26          1HG       GLU  26  99.480   4.266   4.266
  176    H    GLU  27           H        GLU  27 103.114   7.278   7.278
  177    HA   GLU  27           HA       GLU  27 104.166   8.914   8.914
  178   1HB   GLU  27          2HB       GLU  27 103.980   8.871   8.871
  179   2HB   GLU  27          1HB       GLU  27 105.585   9.382   9.382
  180   1HG   GLU  27          2HG       GLU  27 103.061  10.558  10.558
  181   2HG   GLU  27          1HG       GLU  27 103.868  11.248  11.248
  182    H    VAL  28           H        VAL  28 105.580   6.507   6.507
  183    HA   VAL  28           HA       VAL  28 108.232   6.633   6.633
  184    HB   VAL  28           HB       VAL  28 106.950   4.494   4.494
  185   1HG1  VAL  28          3HG1      VAL  28 109.637   4.965   4.965
  186   2HG1  VAL  28          2HG1      VAL  28 109.620   4.815   4.815
  187   3HG1  VAL  28          1HG1      VAL  28 108.966   3.520   3.520
  188   1HG2  VAL  28          1HG2      VAL  28 108.179   7.164   7.164
  189   2HG2  VAL  28          3HG2      VAL  28 106.647   6.489   6.489
  190   3HG2  VAL  28          2HG2      VAL  28 108.173   5.843   5.843
  191    H    ARG  29           H        ARG  29 105.596   4.197   4.197
  192    HA   ARG  29           HA       ARG  29 106.556   2.233   2.233
  193   1HB   ARG  29          2HB       ARG  29 104.118   3.063   3.063
  194   2HB   ARG  29          1HB       ARG  29 103.829   3.093   3.093
  195   1HG   ARG  29          2HG       ARG  29 103.292   0.877   0.877
  196   2HG   ARG  29          1HG       ARG  29 104.706   0.773   0.773
  197   1HD   ARG  29          2HD       ARG  29 106.203   0.654   0.654
  198   2HD   ARG  29          1HD       ARG  29 104.911   1.083   1.083
  199    HE   ARG  29           HE       ARG  29 103.792  -1.083  -1.083
  200   1HH1  ARG  29          2HH1      ARG  29 106.688  -1.147  -1.147
  201   2HH1  ARG  29          1HH1      ARG  29 107.305  -2.562  -2.562
  202   1HH2  ARG  29          1HH2      ARG  29 104.785  -2.667  -2.667
  203   2HH2  ARG  29          2HH2      ARG  29 106.232  -3.419  -3.419
  204    H    ALA  30           H        ALA  30 104.908   5.234   5.234
  205    HA   ALA  30           HA       ALA  30 105.382   4.760   4.760
  206   1HB   ALA  30          2HB       ALA  30 104.413   6.996   6.996
  207   2HB   ALA  30          1HB       ALA  30 104.752   7.323   7.323
  208   3HB   ALA  30          3HB       ALA  30 103.542   6.119   6.119
  209    H    LEU  31           H        LEU  31 106.840   6.987   6.987
  210    HA   LEU  31           HA       LEU  31 108.748   8.237   8.237
  211   1HB   LEU  31          2HB       LEU  31 108.478   7.565   7.565
  212   2HB   LEU  31          1HB       LEU  31 110.019   8.212   8.212
  213    HG   LEU  31           HG       LEU  31 107.376   9.531   9.531
  214   1HD1  LEU  31          1HD1      LEU  31 108.948   9.528   9.528
  215   2HD1  LEU  31          3HD1      LEU  31 108.586  11.138  11.138
  216   3HD1  LEU  31          2HD1      LEU  31 107.274  10.011  10.011
  217   1HD2  LEU  31          1HD2      LEU  31 110.011   9.895   9.895
  218   2HD2  LEU  31          3HD2      LEU  31 108.656  10.999  10.999
  219   3HD2  LEU  31          2HD2      LEU  31 109.746  11.207  11.207
  220    H    LEU  32           H        LEU  32 109.812   5.839   5.839
  221    HA   LEU  32           HA       LEU  32 112.278   5.166   5.166
  222   1HB   LEU  32          2HB       LEU  32 110.631   4.334   4.334
  223   2HB   LEU  32          1HB       LEU  32 110.699   2.889   2.889
  224    HG   LEU  32           HG       LEU  32 113.203   4.393   4.393
  225   1HD1  LEU  32          2HD1      LEU  32 111.682   3.527   3.527
  226   2HD1  LEU  32          1HD1      LEU  32 112.312   1.952   1.952
  227   3HD1  LEU  32          3HD1      LEU  32 113.419   3.228   3.228
  228   1HD2  LEU  32          3HD2      LEU  32 112.485   1.915   1.915
  229   2HD2  LEU  32          2HD2      LEU  32 113.982   2.846   2.846
  230   3HD2  LEU  32          1HD2      LEU  32 113.715   1.685   1.685
  231    H    GLU  33           H        GLU  33 109.215   3.478   3.478
  232    HA   GLU  33           HA       GLU  33 110.420   1.712   1.712
  233   1HB   GLU  33          2HB       GLU  33 108.174   1.627   1.627
  234   2HB   GLU  33          1HB       GLU  33 107.546   2.623   2.623
  235   1HG   GLU  33          2HG       GLU  33 108.329   0.909   0.909
  236   2HG   GLU  33          1HG       GLU  33 108.844  -0.103  -0.103
  237    H    ALA  34           H        ALA  34 109.770   5.071   5.071
  238    HA   ALA  34           HA       ALA  34 109.389   5.024   5.024
  239   1HB   ALA  34          1HB       ALA  34 109.082   7.091   7.091
  240   2HB   ALA  34          3HB       ALA  34 108.968   7.508   7.508
  241   3HB   ALA  34          2HB       ALA  34 107.818   6.375   6.375
  242    H    GLY  35           H        GLY  35 111.782   5.823   5.823
  243   1HA   GLY  35          2HA       GLY  35 114.002   5.861   5.861
  244   2HA   GLY  35          1HA       GLY  35 113.376   7.501   7.501
  245    H    ALA  36           H        ALA  36 112.383   7.441   7.441
  246    HA   ALA  36           HA       ALA  36 114.365   8.775   8.775
  247   1HB   ALA  36          3HB       ALA  36 112.051   7.087   7.087
  248   2HB   ALA  36          2HB       ALA  36 113.213   7.272   7.272
  249   3HB   ALA  36          1HB       ALA  36 112.470   8.696   8.696
  250    H    LEU  37           H        LEU  37 116.238   8.246   8.246
  251    HA   LEU  37           HA       LEU  37 117.743   5.957   5.957
  252   1HB   LEU  37          2HB       LEU  37 117.880   8.252   8.252
  253   2HB   LEU  37          1HB       LEU  37 118.581   6.836   6.836
  254    HG   LEU  37           HG       LEU  37 119.577   6.660   6.660
  255   1HD1  LEU  37          3HD1      LEU  37 118.661   8.969   8.969
  256   2HD1  LEU  37          2HD1      LEU  37 119.729   9.561   9.561
  257   3HD1  LEU  37          1HD1      LEU  37 120.411   8.852   8.852
  258   1HD2  LEU  37          3HD2      LEU  37 120.798   8.002   8.002
  259   2HD2  LEU  37          2HD2      LEU  37 120.822   6.273   6.273
  260   3HD2  LEU  37          1HD2      LEU  37 121.705   7.393   7.393
  261    HA   PRO  38           HA       PRO  38 116.116   2.761   2.761
  262   1HB   PRO  38          2HB       PRO  38 118.355   1.236   1.236
  263   2HB   PRO  38          1HB       PRO  38 117.497   1.309   1.309
  264   1HG   PRO  38          2HG       PRO  38 119.988   2.696   2.696
  265   2HG   PRO  38          1HG       PRO  38 119.575   1.977   1.977
  266   1HD   PRO  38          2HD       PRO  38 119.475   4.658   4.658
  267   2HD   PRO  38          1HD       PRO  38 118.464   3.845   3.845
  268    H    ASN  39           H        ASN  39 119.176   4.234   4.234
  269    HA   ASN  39           HA       ASN  39 118.282   3.950   3.950
  270   1HB   ASN  39          2HB       ASN  39 121.083   3.995   3.995
  271   2HB   ASN  39          1HB       ASN  39 120.683   3.757   3.757
  272   1HD2  ASN  39          1HD2      ASN  39 120.399   1.620   1.620
  273   2HD2  ASN  39          2HD2      ASN  39 120.141   0.312   0.312
  274    H    ALA  40           H        ALA  40 120.736   5.811   5.811
  275    HA   ALA  40           HA       ALA  40 121.222   8.120   8.120
  276   1HB   ALA  40          2HB       ALA  40 118.490   7.763   7.763
  277   2HB   ALA  40          1HB       ALA  40 118.591   8.915   8.915
  278   3HB   ALA  40          3HB       ALA  40 119.341   9.291   9.291
  279    HA   PRO  41           HA       PRO  41 122.269   9.051   9.051
  280   1HB   PRO  41          2HB       PRO  41 122.822  11.725  11.725
  281   2HB   PRO  41          1HB       PRO  41 123.897  10.468  10.468
  282   1HG   PRO  41          2HG       PRO  41 121.943  12.200  12.200
  283   2HG   PRO  41          1HG       PRO  41 123.544  11.645  11.645
  284   1HD   PRO  41          2HD       PRO  41 121.201  10.548  10.548
  285   2HD   PRO  41          1HD       PRO  41 122.741   9.665   9.665
  286    H    ASN  42           H        ASN  42 121.671  10.825  10.825
  287    HA   ASN  42           HA       ASN  42 118.873  11.802  11.802
  288   1HB   ASN  42          2HB       ASN  42 119.812   9.567   9.567
  289   2HB   ASN  42          1HB       ASN  42 119.122  10.790  10.790
  290   1HD2  ASN  42          1HD2      ASN  42 118.372   8.469   8.469
  291   2HD2  ASN  42          2HD2      ASN  42 116.687   8.677   8.677
  292    H    SER  43           H        SER  43 118.312  13.539  13.539
  293    HA   SER  43           HA       SER  43 120.606  15.202  15.202
  294   1HB   SER  43          2HB       SER  43 117.593  15.454  15.454
  295   2HB   SER  43          1HB       SER  43 118.630  16.704  16.704
  296    HG   SER  43           HG       SER  43 118.432  15.787  15.787
  297    H    TYR  44           H        TYR  44 118.830  12.733  12.733
  298    HA   TYR  44           HA       TYR  44 119.365  13.842  13.842
  299   1HB   TYR  44          2HB       TYR  44 117.531  11.547  11.547
  300   2HB   TYR  44          1HB       TYR  44 117.493  12.551  12.551
  301    HD1  TYR  44           HD2      TYR  44 117.690  15.273  15.273
  302    HD2  TYR  44           HD1      TYR  44 115.515  11.908  11.908
  303    HE1  TYR  44           HE2      TYR  44 116.097  16.814  16.814
  304    HE2  TYR  44           HE1      TYR  44 113.920  13.451  13.451
  305    HH   TYR  44           HH       TYR  44 113.230  15.604  15.604
  306    H    GLY  45           H        GLY  45 121.048  12.105  12.105
  307   1HA   GLY  45          2HA       GLY  45 122.592  10.350  10.350
  308   2HA   GLY  45          1HA       GLY  45 122.591  10.691  10.691
  309    H    ARG  46           H        ARG  46 119.588   9.834   9.834
  310    HA   ARG  46           HA       ARG  46 119.698   7.191   7.191
  311   1HB   ARG  46          2HB       ARG  46 117.647   9.305   9.305
  312   2HB   ARG  46          1HB       ARG  46 117.073   7.637   7.637
  313   1HG   ARG  46          2HG       ARG  46 118.248   7.328   7.328
  314   2HG   ARG  46          1HG       ARG  46 118.698   9.031   9.031
  315   1HD   ARG  46          2HD       ARG  46 116.178   9.530   9.530
  316   2HD   ARG  46          1HD       ARG  46 115.930   7.841   7.841
  317    HE   ARG  46           HE       ARG  46 117.834   9.252   9.252
  318   1HH1  ARG  46          1HH2      ARG  46 114.729  10.154  10.154
  319   2HH1  ARG  46          2HH2      ARG  46 114.120   9.721   9.721
  320   1HH2  ARG  46          2HH1      ARG  46 116.979   7.983   7.983
  321   2HH2  ARG  46          1HH1      ARG  46 115.393   8.482   8.482
  322    H    ARG  47           H        ARG  47 118.120   5.565   5.565
  323    HA   ARG  47           HA       ARG  47 119.001   5.312   5.312
  324   1HB   ARG  47          2HB       ARG  47 117.209   3.530   3.530
  325   2HB   ARG  47          1HB       ARG  47 118.119   3.062   3.062
  326   1HG   ARG  47          2HG       ARG  47 119.240   3.867   3.867
  327   2HG   ARG  47          1HG       ARG  47 119.345   2.284   2.284
  328   1HD   ARG  47          2HD       ARG  47 121.374   2.997   2.997
  329   2HD   ARG  47          1HD       ARG  47 120.441   3.972   3.972
  330    HE   ARG  47           HE       ARG  47 120.650   5.252   5.252
  331   1HH1  ARG  47          1HH2      ARG  47 121.334   5.503   5.503
  332   2HH1  ARG  47          2HH2      ARG  47 122.685   6.569   6.569
  333   1HH2  ARG  47          2HH1      ARG  47 122.774   6.288   6.288
  334   2HH2  ARG  47          1HH1      ARG  47 123.497   7.015   7.015
  335    HA   PRO  48           HA       PRO  48 115.275   6.614   6.614
  336   1HB   PRO  48          2HB       PRO  48 114.869   4.716   4.716
  337   2HB   PRO  48          1HB       PRO  48 116.132   5.957   5.957
  338   1HG   PRO  48          2HG       PRO  48 116.360   3.103   3.103
  339   2HG   PRO  48          1HG       PRO  48 117.448   4.078   4.078
  340   1HD   PRO  48          2HD       PRO  48 117.942   3.537   3.537
  341   2HD   PRO  48          1HD       PRO  48 118.477   5.036   5.036
  342    H    ILE  49           H        ILE  49 115.439   3.582   3.582
  343    HA   ILE  49           HA       ILE  49 112.462   3.284   3.284
  344    HB   ILE  49           HB       ILE  49 114.805   1.417   1.417
  345   1HG1  ILE  49          2HG1      ILE  49 112.206   1.367   1.367
  346   2HG1  ILE  49          1HG1      ILE  49 113.808   1.716   1.716
  347   1HG2  ILE  49          1HG2      ILE  49 112.185   1.222   1.222
  348   2HG2  ILE  49          3HG2      ILE  49 112.692  -0.230  -0.230
  349   3HG2  ILE  49          2HG2      ILE  49 113.722   0.454   0.454
  350   1HD1  ILE  49          2HD1      ILE  49 113.044  -0.902  -0.902
  351   2HD1  ILE  49          1HD1      ILE  49 113.043  -0.641  -0.641
  352   3HD1  ILE  49          3HD1      ILE  49 114.554  -0.544  -0.544
  353    H    GLN  50           H        GLN  50 115.307   3.507   3.507
  354    HA   GLN  50           HA       GLN  50 114.034   3.173   3.173
  355   1HB   GLN  50          2HB       GLN  50 116.384   3.241   3.241
  356   2HB   GLN  50          1HB       GLN  50 116.439   4.640   4.640
  357   1HG   GLN  50          2HG       GLN  50 116.255   6.126   6.126
  358   2HG   GLN  50          1HG       GLN  50 115.119   5.108   5.108
  359   1HE2  GLN  50          1HE2      GLN  50 118.617   5.195   5.195
  360   2HE2  GLN  50          2HE2      GLN  50 119.151   4.468   4.468
  361    H    VAL  51           H        VAL  51 113.884   5.747   5.747
  362    HA   VAL  51           HA       VAL  51 112.433   7.484   7.484
  363    HB   VAL  51           HB       VAL  51 114.556   8.353   8.353
  364   1HG1  VAL  51          3HG1      VAL  51 113.934   7.063   7.063
  365   2HG1  VAL  51          2HG1      VAL  51 113.230   8.625   8.625
  366   3HG1  VAL  51          1HG1      VAL  51 114.944   8.508   8.508
  367   1HG2  VAL  51          2HG2      VAL  51 111.996   9.626   9.626
  368   2HG2  VAL  51          1HG2      VAL  51 113.585  10.373  10.373
  369   3HG2  VAL  51          3HG2      VAL  51 112.864  10.204  10.204
  370    H    MET  52           H        MET  52 111.246   5.222   5.222
  371    HA   MET  52           HA       MET  52 109.573   6.697   6.697
  372   1HB   MET  52          2HB       MET  52 108.869   4.424   4.424
  373   2HB   MET  52          1HB       MET  52 110.627   4.546   4.546
  374   1HG   MET  52          2HG       MET  52 110.646   2.768   2.768
  375   2HG   MET  52          1HG       MET  52 109.895   3.782   3.782
  376   1HE   MET  52          2HE       MET  52 110.053   0.775   0.775
  377   2HE   MET  52          1HE       MET  52 108.941   0.762   0.762
  378   3HE   MET  52          3HE       MET  52 108.485  -0.010  -0.010
  379    H    MET  53           H        MET  53 109.286   7.168   7.168
  380    HA   MET  53           HA       MET  53 107.470   7.605   7.605
  381   1HB   MET  53          2HB       MET  53 106.359   7.382   7.382
  382   2HB   MET  53          1HB       MET  53 105.532   6.078   6.078
  383   1HG   MET  53          2HG       MET  53 105.749   8.620   8.620
  384   2HG   MET  53          1HG       MET  53 104.726   8.683   8.683
  385   1HE   MET  53          2HE       MET  53 103.701   6.489   6.489
  386   2HE   MET  53          1HE       MET  53 102.878   5.357   5.357
  387   3HE   MET  53          3HE       MET  53 102.119   6.900   6.900
  388    H    MET  54           H        MET  54 108.342   4.431   4.431
  389    HA   MET  54           HA       MET  54 108.123   2.315   2.315
  390   1HB   MET  54          2HB       MET  54 108.406   4.427   4.427
  391   2HB   MET  54          1HB       MET  54 107.903   2.840   2.840
  392   1HG   MET  54          2HG       MET  54 110.402   3.167   3.167
  393   2HG   MET  54          1HG       MET  54 109.841   1.785   1.785
  394   1HE   MET  54          2HE       MET  54 110.322   1.217   1.217
  395   2HE   MET  54          1HE       MET  54 110.776   2.082   2.082
  396   3HE   MET  54          3HE       MET  54 111.995   1.708   1.708
  397    H    GLY  55           H        GLY  55 105.626   3.873   3.873
  398   1HA   GLY  55          2HA       GLY  55 103.703   2.352   2.352
  399   2HA   GLY  55          1HA       GLY  55 103.353   3.990   3.990
  400    H    SER  56           H        SER  56 105.078   2.076   2.076
  401    HA   SER  56           HA       SER  56 102.680   0.966   0.966
  402   1HB   SER  56          2HB       SER  56 103.733   3.579   3.579
  403   2HB   SER  56          1HB       SER  56 103.986   2.537   2.537
  404    HG   SER  56           HG       SER  56 101.857   2.247   2.247
  405    H    ALA  57           H        ALA  57 103.800  -1.048  -1.048
  406    HA   ALA  57           HA       ALA  57 106.496  -1.584  -1.584
  407   1HB   ALA  57          2HB       ALA  57 103.911  -3.153  -3.153
  408   2HB   ALA  57          1HB       ALA  57 105.454  -3.898  -3.898
  409   3HB   ALA  57          3HB       ALA  57 105.198  -3.251  -3.251
  410    H    ARG  58           H        ARG  58 103.740  -0.875  -0.875
  411    HA   ARG  58           HA       ARG  58 104.488  -2.052  -2.052
  412   1HB   ARG  58          2HB       ARG  58 102.876   0.274   0.274
  413   2HB   ARG  58          1HB       ARG  58 103.235   0.201   0.201
  414   1HG   ARG  58          2HG       ARG  58 102.419  -2.406  -2.406
  415   2HG   ARG  58          1HG       ARG  58 101.204  -1.192  -1.192
  416   1HD   ARG  58          2HD       ARG  58 100.593  -0.928  -0.928
  417   2HD   ARG  58          1HD       ARG  58 102.279  -0.943  -0.943
  418    HE   ARG  58           HE       ARG  58 102.114  -3.288  -3.288
  419   1HH1  ARG  58          2HH1      ARG  58  99.079  -2.573  -2.573
  420   2HH1  ARG  58          1HH1      ARG  58  98.422  -3.833  -3.833
  421   1HH2  ARG  58          1HH2      ARG  58 101.480  -4.699  -4.699
  422   2HH2  ARG  58          2HH2      ARG  58  99.782  -5.036  -5.036
  423    H    VAL  59           H        VAL  59 105.459   1.057   1.057
  424    HA   VAL  59           HA       VAL  59 106.853   2.208   2.208
  425    HB   VAL  59           HB       VAL  59 107.781   2.235   2.235
  426   1HG1  VAL  59          3HG1      VAL  59 108.348   3.750   3.750
  427   2HG1  VAL  59          2HG1      VAL  59 107.856   4.788   4.788
  428   3HG1  VAL  59          1HG1      VAL  59 109.233   3.704   3.704
  429   1HG2  VAL  59          1HG2      VAL  59 105.201   2.998   2.998
  430   2HG2  VAL  59          3HG2      VAL  59 105.783   3.082   3.082
  431   3HG2  VAL  59          2HG2      VAL  59 106.059   4.432   4.432
  432    H    ALA  60           H        ALA  60 108.431   0.421   0.421
  433    HA   ALA  60           HA       ALA  60 110.938   0.039   0.039
  434   1HB   ALA  60          3HB       ALA  60 110.158  -0.448  -0.448
  435   2HB   ALA  60          2HB       ALA  60 109.459  -1.945  -1.945
  436   3HB   ALA  60          1HB       ALA  60 111.203  -1.684  -1.684
  437    H    GLU  61           H        GLU  61 107.932  -1.786  -1.786
  438    HA   GLU  61           HA       GLU  61 108.762  -4.119  -4.119
  439   1HB   GLU  61          2HB       GLU  61 106.423  -2.995  -2.995
  440   2HB   GLU  61          1HB       GLU  61 106.532  -2.475  -2.475
  441   1HG   GLU  61          2HG       GLU  61 106.901  -4.832  -4.832
  442   2HG   GLU  61          1HG       GLU  61 106.716  -5.332  -5.332
  443    H    LEU  62           H        LEU  62 108.430  -0.878  -0.878
  444    HA   LEU  62           HA       LEU  62 109.388  -1.774  -1.774
  445   1HB   LEU  62          2HB       LEU  62 107.894  -0.042  -0.042
  446   2HB   LEU  62          1HB       LEU  62 108.335   0.662   0.662
  447    HG   LEU  62           HG       LEU  62 110.464   1.443   1.443
  448   1HD1  LEU  62          2HD1      LEU  62 110.037  -0.443  -0.443
  449   2HD1  LEU  62          1HD1      LEU  62 109.452   0.990   0.990
  450   3HD1  LEU  62          3HD1      LEU  62 111.105   0.939   0.939
  451   1HD2  LEU  62          3HD2      LEU  62 107.912   2.491   2.491
  452   2HD2  LEU  62          2HD2      LEU  62 109.422   3.355   3.355
  453   3HD2  LEU  62          1HD2      LEU  62 108.593   2.577   2.577
  454    H    LEU  63           H        LEU  63 110.592   0.104   0.104
  455    HA   LEU  63           HA       LEU  63 113.148   0.799   0.799
  456   1HB   LEU  63          2HB       LEU  63 111.689   0.831   0.831
  457   2HB   LEU  63          1HB       LEU  63 113.418   0.579   0.579
  458    HG   LEU  63           HG       LEU  63 112.530   2.692   2.692
  459   1HD1  LEU  63          3HD1      LEU  63 112.097   2.701   2.701
  460   2HD1  LEU  63          2HD1      LEU  63 112.808   4.159   4.159
  461   3HD1  LEU  63          1HD1      LEU  63 111.244   3.580   3.580
  462   1HD2  LEU  63          2HD2      LEU  63 114.947   1.889   1.889
  463   2HD2  LEU  63          1HD2      LEU  63 114.638   3.624   3.624
  464   3HD2  LEU  63          3HD2      LEU  63 114.740   2.790   2.790
  465    H    LEU  64           H        LEU  64 112.437  -1.692  -1.692
  466    HA   LEU  64           HA       LEU  64 114.885  -3.049  -3.049
  467   1HB   LEU  64          2HB       LEU  64 112.124  -3.491  -3.491
  468   2HB   LEU  64          1HB       LEU  64 112.818  -4.990  -4.990
  469    HG   LEU  64           HG       LEU  64 114.541  -3.432  -3.432
  470   1HD1  LEU  64          2HD1      LEU  64 111.815  -3.960  -3.960
  471   2HD1  LEU  64          1HD1      LEU  64 112.830  -5.057  -5.057
  472   3HD1  LEU  64          3HD1      LEU  64 113.093  -3.316  -3.316
  473   1HD2  LEU  64          1HD2      LEU  64 115.153  -5.643  -5.643
  474   2HD2  LEU  64          3HD2      LEU  64 115.051  -5.701  -5.701
  475   3HD2  LEU  64          2HD2      LEU  64 113.740  -6.357  -6.357
  476    H    LEU  65           H        LEU  65 112.128  -3.560  -3.560
  477    HA   LEU  65           HA       LEU  65 113.175  -5.726  -5.726
  478   1HB   LEU  65          2HB       LEU  65 110.953  -5.304  -5.304
  479   2HB   LEU  65          1HB       LEU  65 111.153  -3.563  -3.563
  480    HG   LEU  65           HG       LEU  65 112.253  -3.470  -3.470
  481   1HD1  LEU  65          1HD1      LEU  65 112.492  -6.288  -6.288
  482   2HD1  LEU  65          3HD1      LEU  65 111.532  -6.042  -6.042
  483   3HD1  LEU  65          2HD1      LEU  65 113.141  -5.332  -5.332
  484   1HD2  LEU  65          2HD2      LEU  65 109.631  -3.591  -3.591
  485   2HD2  LEU  65          1HD2      LEU  65 110.265  -3.533  -3.533
  486   3HD2  LEU  65          3HD2      LEU  65 109.774  -5.074  -5.074
  487    H    HIS  66           H        HIS  66 113.501  -2.208  -2.208
  488    HA   HIS  66           HA       HIS  66 115.212  -2.444  -2.444
  489   1HB   HIS  66          2HB       HIS  66 113.870  -0.436  -0.436
  490   2HB   HIS  66          1HB       HIS  66 115.337   0.104   0.104
  491    HD1  HIS  66           HD1      HIS  66 111.850  -1.003  -1.003
  492    HD2  HIS  66           HD2      HIS  66 115.203   0.149   0.149
  493    HE1  HIS  66           HE1      HIS  66 111.053  -0.599  -0.599
  494    H    GLY  67           H        GLY  67 115.757  -3.030  -3.030
  495   1HA   GLY  67          2HA       GLY  67 117.809  -3.501  -3.501
  496   2HA   GLY  67          1HA       GLY  67 118.626  -2.751  -2.751
  497    H    ALA  68           H        ALA  68 116.332  -1.666  -1.666
  498    HA   ALA  68           HA       ALA  68 117.364   1.031   1.031
  499   1HB   ALA  68          1HB       ALA  68 115.139  -0.051  -0.051
  500   2HB   ALA  68          3HB       ALA  68 116.054  -0.406  -0.406
  501   3HB   ALA  68          2HB       ALA  68 115.836   1.264   1.264
  502    H    GLU  69           H        GLU  69 117.660   1.100   1.100
  503    HA   GLU  69           HA       GLU  69 120.410  -0.083  -0.083
  504   1HB   GLU  69          2HB       GLU  69 119.471   2.559   2.559
  505   2HB   GLU  69          1HB       GLU  69 119.774   2.064   2.064
  506   1HG   GLU  69          2HG       GLU  69 121.967   2.433   2.433
  507   2HG   GLU  69          1HG       GLU  69 121.964   1.093   1.093
  508    HA   PRO  70           HA       PRO  70 117.435  -1.722  -1.722
  509   1HB   PRO  70          2HB       PRO  70 117.378  -4.342  -4.342
  510   2HB   PRO  70          1HB       PRO  70 116.211  -3.140  -3.140
  511   1HG   PRO  70          2HG       PRO  70 118.660  -4.201  -4.201
  512   2HG   PRO  70          1HG       PRO  70 117.060  -3.868  -3.868
  513   1HD   PRO  70          2HD       PRO  70 119.154  -2.190  -2.190
  514   2HD   PRO  70          1HD       PRO  70 117.472  -1.624  -1.624
  515    H    ASN  71           H        ASN  71 120.333  -2.984  -2.984
  516    HA   ASN  71           HA       ASN  71 121.261  -4.449  -4.449
  517   1HB   ASN  71          2HB       ASN  71 121.853  -4.180  -4.180
  518   2HB   ASN  71          1HB       ASN  71 123.334  -4.062  -4.062
  519   1HD2  ASN  71          1HD2      ASN  71 123.776  -5.895  -5.895
  520   2HD2  ASN  71          2HD2      ASN  71 123.147  -7.433  -7.433
  521    H    CYS  72           H        CYS  72 123.027  -2.031  -2.031
  522    HA   CYS  72           HA       CYS  72 124.718  -1.074  -1.074
  523   1HB   CYS  72          2HB       CYS  72 124.321  -0.631  -0.631
  524   2HB   CYS  72          1HB       CYS  72 123.583   0.840   0.840
  525    HG   CYS  72           HG       CYS  72 125.981   1.587   1.587
  526    H    ALA  73           H        ALA  73 124.614   1.081   1.081
  527    HA   ALA  73           HA       ALA  73 121.920   2.199   2.199
  528   1HB   ALA  73          1HB       ALA  73 123.610   0.809   0.809
  529   2HB   ALA  73          3HB       ALA  73 122.134   1.708   1.708
  530   3HB   ALA  73          2HB       ALA  73 122.069   0.241   0.241
  531    H    ASP  74           H        ASP  74 123.528   3.017   3.017
  532    HA   ASP  74           HA       ASP  74 124.822   5.391   5.391
  533   1HB   ASP  74          2HB       ASP  74 123.116   4.880   4.880
  534   2HB   ASP  74          1HB       ASP  74 124.476   5.955   5.955
  535    HA   PRO  75           HA       PRO  75 128.607   3.618   3.618
  536   1HB   PRO  75          2HB       PRO  75 130.236   5.774   5.774
  537   2HB   PRO  75          1HB       PRO  75 129.706   4.671   4.671
  538   1HG   PRO  75          2HG       PRO  75 128.671   7.366   7.366
  539   2HG   PRO  75          1HG       PRO  75 128.910   6.642   6.642
  540   1HD   PRO  75          2HD       PRO  75 126.477   6.824   6.824
  541   2HD   PRO  75          1HD       PRO  75 126.900   5.546   5.546
  542    H    ALA  76           H        ALA  76 126.906   6.293   6.293
  543    HA   ALA  76           HA       ALA  76 128.793   6.850   6.850
  544   1HB   ALA  76          1HB       ALA  76 125.984   7.761   7.761
  545   2HB   ALA  76          3HB       ALA  76 126.924   8.395   8.395
  546   3HB   ALA  76          2HB       ALA  76 127.480   8.643   8.643
  547    H    THR  77           H        THR  77 125.301   6.165   6.165
  548    HA   THR  77           HA       THR  77 125.853   4.514   4.514
  549    HB   THR  77           HB       THR  77 123.070   5.036   5.036
  550    HG1  THR  77           HG1      THR  77 123.212   7.043   7.043
  551   1HG2  THR  77          3HG2      THR  77 124.793   4.940   4.940
  552   2HG2  THR  77          2HG2      THR  77 123.920   6.471   6.471
  553   3HG2  THR  77          1HG2      THR  77 123.031   4.949   4.949
  554    H    LEU  78           H        LEU  78 125.722   3.863   3.863
  555    HA   LEU  78           HA       LEU  78 125.070   1.991   1.991
  556   1HB   LEU  78          2HB       LEU  78 125.902   1.197   1.197
  557   2HB   LEU  78          1HB       LEU  78 124.780   0.030   0.030
  558    HG   LEU  78           HG       LEU  78 127.364   1.018   1.018
  559   1HD1  LEU  78          2HD1      LEU  78 127.500  -0.707  -0.707
  560   2HD1  LEU  78          1HD1      LEU  78 126.502  -1.767  -1.767
  561   3HD1  LEU  78          3HD1      LEU  78 128.099  -1.273  -1.273
  562   1HD2  LEU  78          3HD2      LEU  78 124.979  -0.347  -0.347
  563   2HD2  LEU  78          2HD2      LEU  78 126.194   0.644   0.644
  564   3HD2  LEU  78          1HD2      LEU  78 126.537  -1.048  -1.048
  565    H    THR  79           H        THR  79 122.901   3.704   3.704
  566    HA   THR  79           HA       THR  79 120.702   2.267   2.267
  567    HB   THR  79           HB       THR  79 120.291   4.389   4.389
  568    HG1  THR  79           HG1      THR  79 121.112   5.936   5.936
  569   1HG2  THR  79          1HG2      THR  79 119.139   3.516   3.516
  570   2HG2  THR  79          3HG2      THR  79 119.065   5.239   5.239
  571   3HG2  THR  79          2HG2      THR  79 118.324   4.070   4.070
  572    H    ARG  80           H        ARG  80 120.442   0.223   0.223
  573    HA   ARG  80           HA       ARG  80 120.378  -0.164  -0.164
  574   1HB   ARG  80          2HB       ARG  80 120.731  -1.722  -1.722
  575   2HB   ARG  80          1HB       ARG  80 119.019  -2.025  -2.025
  576   1HG   ARG  80          2HG       ARG  80 120.496  -3.661  -3.661
  577   2HG   ARG  80          1HG       ARG  80 119.460  -2.758  -2.758
  578   1HD   ARG  80          2HD       ARG  80 121.238  -1.525  -1.525
  579   2HD   ARG  80          1HD       ARG  80 122.203  -1.683  -1.683
  580    HE   ARG  80           HE       ARG  80 121.630  -4.191  -4.191
  581   1HH1  ARG  80          2HH1      ARG  80 123.740  -1.470  -1.470
  582   2HH1  ARG  80          1HH1      ARG  80 125.176  -2.396  -2.396
  583   1HH2  ARG  80          1HH2      ARG  80 123.530  -5.444  -5.444
  584   2HH2  ARG  80          2HH2      ARG  80 125.058  -4.636  -4.636
  585    HA   PRO  81           HA       PRO  81 116.182   1.001   1.001
  586   1HB   PRO  81          2HB       PRO  81 115.649  -0.601  -0.601
  587   2HB   PRO  81          1HB       PRO  81 116.625   0.879   0.879
  588   1HG   PRO  81          2HG       PRO  81 117.505  -1.962  -1.962
  589   2HG   PRO  81          1HG       PRO  81 118.157  -0.628  -0.628
  590   1HD   PRO  81          2HD       PRO  81 119.329  -1.486  -1.486
  591   2HD   PRO  81          1HD       PRO  81 119.407   0.202   0.202
  592    H    VAL  82           H        VAL  82 117.242  -2.168  -2.168
  593    HA   VAL  82           HA       VAL  82 114.750  -3.594  -3.594
  594    HB   VAL  82           HB       VAL  82 117.315  -3.789  -3.789
  595   1HG1  VAL  82          1HG1      VAL  82 115.022  -4.991  -4.991
  596   2HG1  VAL  82          3HG1      VAL  82 115.565  -6.156  -6.156
  597   3HG1  VAL  82          2HG1      VAL  82 116.592  -5.772  -5.772
  598   1HG2  VAL  82          2HG2      VAL  82 116.995  -4.102  -4.102
  599   2HG2  VAL  82          1HG2      VAL  82 118.178  -5.000  -5.000
  600   3HG2  VAL  82          3HG2      VAL  82 116.625  -5.736  -5.736
  601    H    HIS  83           H        HIS  83 116.320  -1.314  -1.314
  602    HA   HIS  83           HA       HIS  83 114.633  -1.752  -1.752
  603   1HB   HIS  83          2HB       HIS  83 116.190   0.675   0.675
  604   2HB   HIS  83          1HB       HIS  83 115.544   0.477   0.477
  605    HD2  HIS  83           HD2      HIS  83 117.483  -0.585  -0.585
  606    HE1  HIS  83           HE1      HIS  83 119.655  -2.751  -2.751
  607    HE2  HIS  83           HE2      HIS  83 119.515  -2.120  -2.120
  608    H    ASP  84           H        ASP  84 114.535   0.450   0.450
  609    HA   ASP  84           HA       ASP  84 112.361   2.109   2.109
  610   1HB   ASP  84          2HB       ASP  84 113.563   0.945   0.945
  611   2HB   ASP  84          1HB       ASP  84 112.058   1.840   1.840
  612    H    ALA  85           H        ALA  85 112.236  -1.030  -1.030
  613    HA   ALA  85           HA       ALA  85 109.445  -1.236  -1.236
  614   1HB   ALA  85          1HB       ALA  85 111.604  -2.733  -2.733
  615   2HB   ALA  85          3HB       ALA  85 111.024  -3.641  -3.641
  616   3HB   ALA  85          2HB       ALA  85 109.978  -3.414  -3.414
  617    H    ALA  86           H        ALA  86 111.279  -2.890  -2.890
  618    HA   ALA  86           HA       ALA  86 109.062  -3.515  -3.515
  619   1HB   ALA  86          3HB       ALA  86 111.652  -4.131  -4.131
  620   2HB   ALA  86          2HB       ALA  86 111.737  -2.842  -2.842
  621   3HB   ALA  86          1HB       ALA  86 110.718  -4.251  -4.251
  622    H    ARG  87           H        ARG  87 110.909  -0.519  -0.519
  623    HA   ARG  87           HA       ARG  87 110.306   0.772   0.772
  624   1HB   ARG  87          2HB       ARG  87 111.221   1.423   1.423
  625   2HB   ARG  87          1HB       ARG  87 110.108   2.671   2.671
  626   1HG   ARG  87          2HG       ARG  87 111.802   1.994   1.994
  627   2HG   ARG  87          1HG       ARG  87 112.830   2.243   2.243
  628   1HD   ARG  87          2HD       ARG  87 112.362   4.355   4.355
  629   2HD   ARG  87          1HD       ARG  87 111.862   4.454   4.454
  630    HE   ARG  87           HE       ARG  87 109.723   3.395   3.395
  631   1HH1  ARG  87          2HH1      ARG  87 111.461   6.252   6.252
  632   2HH1  ARG  87          1HH1      ARG  87 110.105   7.307   7.307
  633   1HH2  ARG  87          1HH2      ARG  87 107.934   4.763   4.763
  634   2HH2  ARG  87          2HH2      ARG  87 108.109   6.464   6.464
  635    H    GLU  88           H        GLU  88 108.359   0.813   0.813
  636    HA   GLU  88           HA       GLU  88 106.110   2.050   2.050
  637   1HB   GLU  88          2HB       GLU  88 107.118   2.544   2.544
  638   2HB   GLU  88          1HB       GLU  88 105.984   1.274   1.274
  639   1HG   GLU  88          2HG       GLU  88 104.578   3.100   3.100
  640   2HG   GLU  88          1HG       GLU  88 104.335   2.698   2.698
  641    H    GLY  89           H        GLY  89 107.205  -1.036  -1.036
  642   1HA   GLY  89          2HA       GLY  89 106.145  -3.100  -3.100
  643   2HA   GLY  89          1HA       GLY  89 104.643  -2.214  -2.214
  644    H    PHE  90           H        PHE  90 106.628  -2.062  -2.062
  645    HA   PHE  90           HA       PHE  90 104.259  -3.027  -3.027
  646   1HB   PHE  90          2HB       PHE  90 105.880  -0.828  -0.828
  647   2HB   PHE  90          1HB       PHE  90 106.611  -1.929  -1.929
  648    HD1  PHE  90           HD2      PHE  90 104.925  -3.219  -3.219
  649    HD2  PHE  90           HD1      PHE  90 104.023   0.432   0.432
  650    HE1  PHE  90           HE2      PHE  90 103.079  -2.773  -2.773
  651    HE2  PHE  90           HE1      PHE  90 102.173   0.874   0.874
  652    HZ   PHE  90           HZ       PHE  90 101.708  -0.725  -0.725
  653    H    LEU  91           H        LEU  91 104.745  -5.328  -5.328
  654    HA   LEU  91           HA       LEU  91 107.193  -6.644  -6.644
  655   1HB   LEU  91          2HB       LEU  91 104.531  -7.267  -7.267
  656   2HB   LEU  91          1HB       LEU  91 104.910  -8.283  -8.283
  657    HG   LEU  91           HG       LEU  91 106.997  -8.016  -8.016
  658   1HD1  LEU  91          1HD1      LEU  91 104.489  -9.695  -9.695
  659   2HD1  LEU  91          3HD1      LEU  91 105.925  -9.860  -9.860
  660   3HD1  LEU  91          2HD1      LEU  91 104.981  -8.371  -8.371
  661   1HD2  LEU  91          1HD2      LEU  91 106.833  -9.432  -9.432
  662   2HD2  LEU  91          3HD2      LEU  91 107.754  -9.991  -9.991
  663   3HD2  LEU  91          2HD2      LEU  91 106.125 -10.605 -10.605
  664    H    ASP  92           H        ASP  92 104.409  -5.878  -5.878
  665    HA   ASP  92           HA       ASP  92 104.980  -7.304  -7.304
  666   1HB   ASP  92          2HB       ASP  92 104.062  -4.436  -4.436
  667   2HB   ASP  92          1HB       ASP  92 103.894  -5.352  -5.352
  668    H    THR  93           H        THR  93 106.527  -4.335  -4.335
  669    HA   THR  93           HA       THR  93 108.149  -3.796  -3.796
  670    HB   THR  93           HB       THR  93 108.468  -3.223  -3.223
  671    HG1  THR  93           HG1      THR  93 106.681  -2.238  -2.238
  672   1HG2  THR  93          3HG2      THR  93 110.624  -3.031  -3.031
  673   2HG2  THR  93          2HG2      THR  93 109.865  -1.931  -1.931
  674   3HG2  THR  93          1HG2      THR  93 110.031  -1.461  -1.461
  675    H    LEU  94           H        LEU  94 108.815  -5.600  -5.600
  676    HA   LEU  94           HA       LEU  94 111.500  -6.364  -6.364
  677   1HB   LEU  94          2HB       LEU  94 109.331  -7.595  -7.595
  678   2HB   LEU  94          1HB       LEU  94 111.018  -8.111  -8.111
  679    HG   LEU  94           HG       LEU  94 111.048  -5.284  -5.284
  680   1HD1  LEU  94          2HD1      LEU  94 109.055  -6.576  -6.576
  681   2HD1  LEU  94          1HD1      LEU  94 109.682  -4.935  -4.935
  682   3HD1  LEU  94          3HD1      LEU  94 108.690  -5.367  -5.367
  683   1HD2  LEU  94          2HD2      LEU  94 112.456  -7.240  -7.240
  684   2HD2  LEU  94          1HD2      LEU  94 112.307  -5.697  -5.697
  685   3HD2  LEU  94          3HD2      LEU  94 111.308  -7.067  -7.067
  686    H    VAL  95           H        VAL  95 108.381  -8.071  -8.071
  687    HA   VAL  95           HA       VAL  95 109.283 -10.505 -10.505
  688    HB   VAL  95           HB       VAL  95 106.974  -8.692  -8.692
  689   1HG1  VAL  95          1HG1      VAL  95 107.515 -10.296 -10.296
  690   2HG1  VAL  95          3HG1      VAL  95 107.353 -11.623 -11.623
  691   3HG1  VAL  95          2HG1      VAL  95 105.955 -10.628 -10.628
  692   1HG2  VAL  95          3HG2      VAL  95 107.189 -11.170 -11.170
  693   2HG2  VAL  95          2HG2      VAL  95 106.959  -9.518  -9.518
  694   3HG2  VAL  95          1HG2      VAL  95 105.689 -10.313 -10.313
  695    H    VAL  96           H        VAL  96 108.872  -7.398  -7.398
  696    HA   VAL  96           HA       VAL  96 109.740  -8.339  -8.339
  697    HB   VAL  96           HB       VAL  96 109.985  -5.541  -5.541
  698   1HG1  VAL  96          1HG1      VAL  96 109.937  -6.801  -6.801
  699   2HG1  VAL  96          3HG1      VAL  96 109.093  -5.262  -5.262
  700   3HG1  VAL  96          2HG1      VAL  96 110.809  -5.375  -5.375
  701   1HG2  VAL  96          3HG2      VAL  96 107.624  -7.152  -7.152
  702   2HG2  VAL  96          2HG2      VAL  96 107.741  -5.440  -5.440
  703   3HG2  VAL  96          1HG2      VAL  96 107.523  -5.935  -5.935
  704    H    LEU  97           H        LEU  97 111.418  -6.670  -6.670
  705    HA   LEU  97           HA       LEU  97 113.992  -6.378  -6.378
  706   1HB   LEU  97          2HB       LEU  97 112.751  -6.668  -6.668
  707   2HB   LEU  97          1HB       LEU  97 114.485  -6.974  -6.974
  708    HG   LEU  97           HG       LEU  97 114.308  -4.708  -4.708
  709   1HD1  LEU  97          1HD1      LEU  97 112.045  -4.733  -4.733
  710   2HD1  LEU  97          3HD1      LEU  97 112.851  -3.217  -3.217
  711   3HD1  LEU  97          2HD1      LEU  97 112.054  -4.150  -4.150
  712   1HD2  LEU  97          1HD2      LEU  97 115.497  -5.477  -5.477
  713   2HD2  LEU  97          3HD2      LEU  97 115.638  -3.865  -3.865
  714   3HD2  LEU  97          2HD2      LEU  97 114.439  -4.179  -4.179
  715    H    HIS  98           H        HIS  98 112.575  -9.191  -9.191
  716    HA   HIS  98           HA       HIS  98 114.977 -10.845 -10.845
  717   1HB   HIS  98          2HB       HIS  98 113.132 -10.773 -10.773
  718   2HB   HIS  98          1HB       HIS  98 112.243 -11.826 -11.826
  719    HD1  HIS  98           HD1      HIS  98 114.478 -12.056 -12.056
  720    HD2  HIS  98           HD2      HIS  98 114.179 -14.079 -14.079
  721    HE1  HIS  98           HE1      HIS  98 115.758 -14.223 -14.223
  722    H    ARG  99           H        ARG  99 111.787 -10.444 -10.444
  723    HA   ARG  99           HA       ARG  99 111.770 -12.782 -12.782
  724   1HB   ARG  99          2HB       ARG  99 109.729 -11.664 -11.664
  725   2HB   ARG  99          1HB       ARG  99 110.421 -10.093 -10.093
  726   1HG   ARG  99          2HG       ARG  99 110.596 -10.757 -10.757
  727   2HG   ARG  99          1HG       ARG  99 109.856 -12.312 -12.312
  728   1HD   ARG  99          2HD       ARG  99 107.990 -10.744 -10.744
  729   2HD   ARG  99          1HD       ARG  99 108.605  -9.594  -9.594
  730    HE   ARG  99           HE       ARG  99 108.121 -11.282 -11.282
  731   1HH1  ARG  99          2HH1      ARG  99 106.023 -10.945 -10.945
  732   2HH1  ARG  99          1HH1      ARG  99 105.193 -12.448 -12.448
  733   1HH2  ARG  99          1HH2      ARG  99 107.436 -13.624 -13.624
  734   2HH2  ARG  99          2HH2      ARG  99 105.997 -13.966 -13.966
  735    H    ALA 100           H        ALA 100 113.682  -9.955  -9.955
  736    HA   ALA 100           HA       ALA 100 114.333 -10.632 -10.632
  737   1HB   ALA 100          2HB       ALA 100 113.026  -8.376  -8.376
  738   2HB   ALA 100          1HB       ALA 100 114.676  -7.833  -7.833
  739   3HB   ALA 100          3HB       ALA 100 113.725  -8.545  -8.545
  740    H    GLY 101           H        GLY 101 115.617  -8.364  -8.364
  741   1HA   GLY 101          2HA       GLY 101 118.013  -9.833  -9.833
  742   2HA   GLY 101          1HA       GLY 101 118.308  -8.650  -8.650
  743    H    ALA 102           H        ALA 102 118.088  -9.107  -9.107
  744    HA   ALA 102           HA       ALA 102 118.861  -6.339  -6.339
  745   1HB   ALA 102          3HB       ALA 102 116.133  -7.365  -7.365
  746   2HB   ALA 102          2HB       ALA 102 116.829  -5.814  -5.814
  747   3HB   ALA 102          1HB       ALA 102 116.430  -6.126  -6.126
  748    H    ARG 103           H        ARG 103 120.405  -6.705  -6.705
  749    HA   ARG 103           HA       ARG 103 120.441  -9.059  -9.059
  750   1HB   ARG 103          2HB       ARG 103 122.416  -7.723  -7.723
  751   2HB   ARG 103          1HB       ARG 103 121.894  -6.407  -6.407
  752   1HG   ARG 103          2HG       ARG 103 123.110  -7.388  -7.388
  753   2HG   ARG 103          1HG       ARG 103 121.872  -8.643  -8.643
  754   1HD   ARG 103          2HD       ARG 103 123.517 -10.096 -10.096
  755   2HD   ARG 103          1HD       ARG 103 123.489  -9.331  -9.331
  756    HE   ARG 103           HE       ARG 103 125.244  -7.778  -7.778
  757   1HH1  ARG 103          2HH1      ARG 103 124.608  -8.331  -8.331
  758   2HH1  ARG 103          1HH1      ARG 103 126.013  -9.231  -9.231
  759   1HH2  ARG 103          1HH2      ARG 103 127.002  -9.878  -9.878
  760   2HH2  ARG 103          2HH2      ARG 103 127.365 -10.106 -10.106
  761    H    LEU 104           H        LEU 104 118.964  -9.327  -9.327
  762    HA   LEU 104           HA       LEU 104 118.016  -6.912  -6.912
  763   1HB   LEU 104          2HB       LEU 104 116.899  -9.732  -9.732
  764   2HB   LEU 104          1HB       LEU 104 116.087  -8.280  -8.280
  765    HG   LEU 104           HG       LEU 104 116.908  -7.723  -7.723
  766   1HD1  LEU 104          1HD1      LEU 104 115.729 -10.481 -10.481
  767   2HD1  LEU 104          3HD1      LEU 104 115.541  -9.582  -9.582
  768   3HD1  LEU 104          2HD1      LEU 104 117.151 -10.022 -10.022
  769   1HD2  LEU 104          3HD2      LEU 104 114.223  -8.396  -8.396
  770   2HD2  LEU 104          2HD2      LEU 104 114.921  -6.790  -6.790
  771   3HD2  LEU 104          1HD2      LEU 104 114.413  -7.719  -7.719
  772    H    ASP 105           H        ASP 105 120.616  -8.469  -8.469
  773    HA   ASP 105           HA       ASP 105 120.141  -9.122  -9.122
  774   1HB   ASP 105          2HB       ASP 105 121.960 -10.857 -10.857
  775   2HB   ASP 105          1HB       ASP 105 120.449 -11.179 -11.179
  776    H    VAL 106           H        VAL 106 120.913  -6.548  -6.548
  777    HA   VAL 106           HA       VAL 106 123.849  -6.483  -6.483
  778    HB   VAL 106           HB       VAL 106 122.669  -5.516  -5.516
  779   1HG1  VAL 106          2HG1      VAL 106 122.067  -3.384  -3.384
  780   2HG1  VAL 106          1HG1      VAL 106 122.033  -3.111  -3.111
  781   3HG1  VAL 106          3HG1      VAL 106 120.906  -4.251  -4.251
  782   1HG2  VAL 106          2HG2      VAL 106 125.006  -4.879  -4.879
  783   2HG2  VAL 106          1HG2      VAL 106 124.666  -4.530  -4.530
  784   3HG2  VAL 106          3HG2      VAL 106 124.301  -3.328  -3.328
  785    H    ARG 107           H        ARG 107 124.119  -3.950  -3.950
  786    HA   ARG 107           HA       ARG 107 122.218  -3.658  -3.658
  787   1HB   ARG 107          2HB       ARG 107 124.248  -3.422  -3.422
  788   2HB   ARG 107          1HB       ARG 107 124.063  -5.034  -5.034
  789   1HG   ARG 107          2HG       ARG 107 125.640  -4.357  -4.357
  790   2HG   ARG 107          1HG       ARG 107 125.913  -2.842  -2.842
  791   1HD   ARG 107          2HD       ARG 107 126.454  -4.427  -4.427
  792   2HD   ARG 107          1HD       ARG 107 126.749  -5.625  -5.625
  793    HE   ARG 107           HE       ARG 107 127.989  -3.049  -3.049
  794   1HH1  ARG 107          2HH1      ARG 107 129.088  -5.795  -5.795
  795   2HH1  ARG 107          1HH1      ARG 107 130.456  -5.892  -5.892
  796   1HH2  ARG 107          1HH2      ARG 107 129.418  -3.275  -3.275
  797   2HH2  ARG 107          2HH2      ARG 107 130.645  -4.465  -4.465
  798    H    ASP 108           H        ASP 108 122.026  -1.490  -1.490
  799    HA   ASP 108           HA       ASP 108 122.763   0.582   0.582
  800   1HB   ASP 108          2HB       ASP 108 121.184   0.217   0.217
  801   2HB   ASP 108          1HB       ASP 108 121.988   1.785   1.785
  802    H    ALA 109           H        ALA 109 125.182  -0.207  -0.207
  803    HA   ALA 109           HA       ALA 109 127.364   0.271   0.271
  804   1HB   ALA 109          2HB       ALA 109 125.813   2.804   2.804
  805   2HB   ALA 109          1HB       ALA 109 127.570   2.700   2.700
  806   3HB   ALA 109          3HB       ALA 109 126.766   2.451   2.451
  807    H    TRP 110           H        TRP 110 125.844   2.267   2.267
  808    HA   TRP 110           HA       TRP 110 126.776   0.289   0.289
  809   1HB   TRP 110          2HB       TRP 110 127.484   2.201   2.201
  810   2HB   TRP 110          1HB       TRP 110 128.131   2.405   2.405
  811    HD1  TRP 110           HD1      TRP 110 125.355   3.681   3.681
  812    HE1  TRP 110           HE1      TRP 110 124.513   5.951   5.951
  813    HE3  TRP 110           HE3      TRP 110 127.958   3.929   3.929
  814    HZ2  TRP 110           HZ2      TRP 110 124.887   7.642   7.642
  815    HZ3  TRP 110           HZ3      TRP 110 127.689   5.875   5.875
  816    HH2  TRP 110           HH2      TRP 110 126.161   7.732   7.732
  817    H    GLY 111           H        GLY 111 124.015   1.147   1.147
  818   1HA   GLY 111          2HA       GLY 111 122.536   1.953   1.953
  819   2HA   GLY 111          1HA       GLY 111 121.860   1.780   1.780
  820    H    ARG 112           H        ARG 112 121.535  -0.435  -0.435
  821    HA   ARG 112           HA       ARG 112 121.797  -2.759  -2.759
  822   1HB   ARG 112          2HB       ARG 112 119.775  -0.962  -0.962
  823   2HB   ARG 112          1HB       ARG 112 118.925  -2.235  -2.235
  824   1HG   ARG 112          2HG       ARG 112 119.344  -3.796  -3.796
  825   2HG   ARG 112          1HG       ARG 112 120.980  -3.205  -3.205
  826   1HD   ARG 112          2HD       ARG 112 120.273  -2.086  -2.086
  827   2HD   ARG 112          1HD       ARG 112 119.066  -1.214  -1.214
  828    HE   ARG 112           HE       ARG 112 117.493  -3.037  -3.037
  829   1HH1  ARG 112          2HH1      ARG 112 119.857  -5.035  -5.035
  830   2HH1  ARG 112          1HH1      ARG 112 119.593  -5.425  -5.425
  831   1HH2  ARG 112          1HH2      ARG 112 117.422  -2.778  -2.778
  832   2HH2  ARG 112          2HH2      ARG 112 118.216  -4.147  -4.147
  833    H    LEU 113           H        LEU 113 119.612  -4.254  -4.254
  834    HA   LEU 113           HA       LEU 113 120.131  -4.467  -4.467
  835   1HB   LEU 113          2HB       LEU 113 118.727  -6.253  -6.253
  836   2HB   LEU 113          1HB       LEU 113 119.074  -6.696  -6.696
  837    HG   LEU 113           HG       LEU 113 121.244  -5.821  -5.821
  838   1HD1  LEU 113          1HD1      LEU 113 120.072  -7.784  -7.784
  839   2HD1  LEU 113          3HD1      LEU 113 120.300  -8.647  -8.647
  840   3HD1  LEU 113          2HD1      LEU 113 121.698  -8.200  -8.200
  841   1HD2  LEU 113          2HD2      LEU 113 121.041  -6.878  -6.878
  842   2HD2  LEU 113          1HD2      LEU 113 122.280  -5.851  -5.851
  843   3HD2  LEU 113          3HD2      LEU 113 122.316  -7.595  -7.595
  844    HA   PRO 114           HA       PRO 114 116.165  -3.003  -3.003
  845   1HB   PRO 114          2HB       PRO 114 115.407  -4.860  -4.860
  846   2HB   PRO 114          1HB       PRO 114 116.649  -3.626  -3.626
  847   1HG   PRO 114          2HG       PRO 114 116.985  -6.489  -6.489
  848   2HG   PRO 114          1HG       PRO 114 117.862  -5.551  -5.551
  849   1HD   PRO 114          2HD       PRO 114 118.924  -6.028  -6.028
  850   2HD   PRO 114          1HD       PRO 114 119.182  -4.478  -4.478
  851    H    VAL 115           H        VAL 115 116.518  -6.212  -6.212
  852    HA   VAL 115           HA       VAL 115 113.659  -6.787  -6.787
  853    HB   VAL 115           HB       VAL 115 115.438  -8.511  -8.511
  854   1HG1  VAL 115          2HG1      VAL 115 117.149  -7.300  -7.300
  855   2HG1  VAL 115          1HG1      VAL 115 116.205  -7.641  -7.641
  856   3HG1  VAL 115          3HG1      VAL 115 116.925  -8.964  -8.964
  857   1HG2  VAL 115          2HG2      VAL 115 113.186  -8.771  -8.771
  858   2HG2  VAL 115          1HG2      VAL 115 114.408 -10.040 -10.040
  859   3HG2  VAL 115          3HG2      VAL 115 114.259  -8.866  -8.866
  860    H    ASP 116           H        ASP 116 116.197  -5.506  -5.506
  861    HA   ASP 116           HA       ASP 116 114.649  -5.515  -5.515
  862   1HB   ASP 116          2HB       ASP 116 117.071  -4.074  -4.074
  863   2HB   ASP 116          1HB       ASP 116 116.423  -3.668  -3.668
  864    H    LEU 117           H        LEU 117 115.118  -3.082  -3.082
  865    HA   LEU 117           HA       LEU 117 113.642  -0.969  -0.969
  866   1HB   LEU 117          2HB       LEU 117 115.188  -0.419  -0.419
  867   2HB   LEU 117          1HB       LEU 117 114.514  -1.620  -1.620
  868    HG   LEU 117           HG       LEU 117 112.595   0.434   0.434
  869   1HD1  LEU 117          3HD1      LEU 117 115.096   1.117   1.117
  870   2HD1  LEU 117          2HD1      LEU 117 113.595   1.980   1.980
  871   3HD1  LEU 117          1HD1      LEU 117 114.295   2.026   2.026
  872   1HD2  LEU 117          1HD2      LEU 117 113.048  -1.369  -1.369
  873   2HD2  LEU 117          3HD2      LEU 117 111.581  -0.489  -0.489
  874   3HD2  LEU 117          2HD2      LEU 117 112.796   0.270   0.270
  875    H    ALA 118           H        ALA 118 112.739  -3.586  -3.586
  876    HA   ALA 118           HA       ALA 118 110.125  -2.776  -2.776
  877   1HB   ALA 118          3HB       ALA 118 111.563  -4.756  -4.756
  878   2HB   ALA 118          2HB       ALA 118 110.985  -5.600  -5.600
  879   3HB   ALA 118          1HB       ALA 118 109.840  -5.083  -5.083
  880    H    GLU 119           H        GLU 119 111.031  -4.961  -4.961
  881    HA   GLU 119           HA       GLU 119 108.440  -5.138  -5.138
  882   1HB   GLU 119          2HB       GLU 119 111.279  -5.553  -5.553
  883   2HB   GLU 119          1HB       GLU 119 110.038  -5.549  -5.549
  884   1HG   GLU 119          2HG       GLU 119 108.893  -7.382  -7.382
  885   2HG   GLU 119          1HG       GLU 119 109.729  -7.203  -7.203
  886    H    GLU 120           H        GLU 120 111.121  -2.861  -2.861
  887    HA   GLU 120           HA       GLU 120 110.035  -1.483  -1.483
  888   1HB   GLU 120          2HB       GLU 120 111.737  -0.624  -0.624
  889   2HB   GLU 120          1HB       GLU 120 111.435   0.426   0.426
  890   1HG   GLU 120          2HG       GLU 120 112.460  -2.377  -2.377
  891   2HG   GLU 120          1HG       GLU 120 113.572  -1.061  -1.061
  892    H    LEU 121           H        LEU 121 109.407  -1.063  -1.063
  893    HA   LEU 121           HA       LEU 121 107.581   1.195   1.195
  894   1HB   LEU 121          2HB       LEU 121 108.613  -0.387  -0.387
  895   2HB   LEU 121          1HB       LEU 121 107.316   0.790   0.790
  896    HG   LEU 121           HG       LEU 121 109.771   1.617   1.617
  897   1HD1  LEU 121          2HD1      LEU 121 110.224   0.411   0.411
  898   2HD1  LEU 121          1HD1      LEU 121 109.723   1.979   1.979
  899   3HD1  LEU 121          3HD1      LEU 121 111.102   1.868   1.868
  900   1HD2  LEU 121          1HD2      LEU 121 107.469   2.893   2.893
  901   2HD2  LEU 121          3HD2      LEU 121 109.010   3.732   3.732
  902   3HD2  LEU 121          2HD2      LEU 121 108.434   3.289   3.289
  903    H    GLY 122           H        GLY 122 107.306  -2.129  -2.129
  904   1HA   GLY 122          2HA       GLY 122 105.322  -3.311  -3.311
  905   2HA   GLY 122          1HA       GLY 122 104.376  -1.966  -1.966
  906    H    HIS 123           H        HIS 123 106.954  -3.336  -3.336
  907    HA   HIS 123           HA       HIS 123 104.866  -4.328  -4.328
  908   1HB   HIS 123          2HB       HIS 123 107.810  -3.644  -3.644
  909   2HB   HIS 123          1HB       HIS 123 106.720  -4.098  -4.098
  910    HD1  HIS 123           HD1      HIS 123 104.258  -2.522  -2.522
  911    HD2  HIS 123           HD2      HIS 123 108.015  -0.890  -0.890
  912    HE1  HIS 123           HE1      HIS 123 103.965  -0.008  -0.008
  913    H    ARG 124           H        ARG 124 105.320  -5.945  -5.945
  914    HA   ARG 124           HA       ARG 124 107.277  -7.912  -7.912
  915   1HB   ARG 124          2HB       ARG 124 104.280  -8.037  -8.037
  916   2HB   ARG 124          1HB       ARG 124 105.343  -9.383  -9.383
  917   1HG   ARG 124          2HG       ARG 124 106.583  -7.984  -7.984
  918   2HG   ARG 124          1HG       ARG 124 105.626  -6.575  -6.575
  919   1HD   ARG 124          2HD       ARG 124 104.289  -9.074  -9.074
  920   2HD   ARG 124          1HD       ARG 124 104.898  -7.821  -7.821
  921    HE   ARG 124           HE       ARG 124 102.762  -7.424  -7.424
  922   1HH1  ARG 124          1HH2      ARG 124 103.292  -6.943  -6.943
  923   2HH1  ARG 124          2HH2      ARG 124 102.998  -5.236  -5.236
  924   1HH2  ARG 124          2HH1      ARG 124 103.010  -4.923  -4.923
  925   2HH2  ARG 124          1HH1      ARG 124 102.841  -4.091  -4.091
  926    H    ASP 125           H        ASP 125 104.477  -7.716  -7.716
  927    HA   ASP 125           HA       ASP 125 104.696 -10.257 -10.257
  928   1HB   ASP 125          2HB       ASP 125 103.916  -7.598  -7.598
  929   2HB   ASP 125          1HB       ASP 125 103.386  -9.197  -9.197
  930    H    VAL 126           H        VAL 126 106.255  -7.142  -7.142
  931    HA   VAL 126           HA       VAL 126 107.745  -8.199  -8.199
  932    HB   VAL 126           HB       VAL 126 108.248  -5.673  -5.673
  933   1HG1  VAL 126          3HG1      VAL 126 109.168  -6.804  -6.804
  934   2HG1  VAL 126          2HG1      VAL 126 108.656  -5.119  -5.119
  935   3HG1  VAL 126          1HG1      VAL 126 109.929  -5.605  -5.605
  936   1HG2  VAL 126          3HG2      VAL 126 105.999  -6.471  -6.471
  937   2HG2  VAL 126          2HG2      VAL 126 106.086  -5.178  -5.178
  938   3HG2  VAL 126          1HG2      VAL 126 106.741  -4.929  -4.929
  939    H    ALA 127           H        ALA 127 108.455  -7.580  -7.580
  940    HA   ALA 127           HA       ALA 127 111.264  -8.018  -8.018
  941   1HB   ALA 127          2HB       ALA 127 109.884  -7.143  -7.143
  942   2HB   ALA 127          1HB       ALA 127 109.204  -8.755  -8.755
  943   3HB   ALA 127          3HB       ALA 127 110.921  -8.476  -8.476
  944    H    ARG 128           H        ARG 128 108.570 -10.347 -10.347
  945    HA   ARG 128           HA       ARG 128 110.067 -12.708 -12.708
  946   1HB   ARG 128          2HB       ARG 128 107.607 -12.492 -12.492
  947   2HB   ARG 128          1HB       ARG 128 107.546 -12.270 -12.270
  948   1HG   ARG 128          2HG       ARG 128 108.873 -14.564 -14.564
  949   2HG   ARG 128          1HG       ARG 128 108.134 -14.750 -14.750
  950   1HD   ARG 128          2HD       ARG 128 105.909 -14.540 -14.540
  951   2HD   ARG 128          1HD       ARG 128 106.563 -14.084 -14.084
  952    HE   ARG 128           HE       ARG 128 107.051 -16.766 -16.766
  953   1HH1  ARG 128          2HH1      ARG 128 108.112 -15.063 -15.063
  954   2HH1  ARG 128          1HH1      ARG 128 107.500 -16.127 -16.127
  955   1HH2  ARG 128          1HH2      ARG 128 105.562 -17.975 -17.975
  956   2HH2  ARG 128          2HH2      ARG 128 106.053 -17.771 -17.771
  957    H    TYR 129           H        TYR 129 108.792 -11.638 -11.638
  958    HA   TYR 129           HA       TYR 129 110.299 -13.442 -13.442
  959   1HB   TYR 129          2HB       TYR 129 108.330 -11.922 -11.922
  960   2HB   TYR 129          1HB       TYR 129 109.498 -10.606 -10.606
  961    HD1  TYR 129           HD1      TYR 129 108.754 -14.034 -14.034
  962    HD2  TYR 129           HD2      TYR 129 110.761 -10.293 -10.293
  963    HE1  TYR 129           HE1      TYR 129 109.341 -14.753 -14.753
  964    HE2  TYR 129           HE2      TYR 129 111.350 -11.013 -11.013
  965    HH   TYR 129           HH       TYR 129 110.629 -12.567 -12.567
  966    H    LEU 130           H        LEU 130 111.202 -10.466 -10.466
  967    HA   LEU 130           HA       LEU 130 113.628  -9.972  -9.972
  968   1HB   LEU 130          2HB       LEU 130 112.257  -8.960  -8.960
  969   2HB   LEU 130          1HB       LEU 130 113.979  -8.618  -8.618
  970    HG   LEU 130           HG       LEU 130 111.835  -7.931  -7.931
  971   1HD1  LEU 130          3HD1      LEU 130 112.690  -6.602  -6.602
  972   2HD1  LEU 130          2HD1      LEU 130 113.417  -5.729  -5.729
  973   3HD1  LEU 130          1HD1      LEU 130 111.671  -5.957  -5.957
  974   1HD2  LEU 130          1HD2      LEU 130 114.823  -7.912  -7.912
  975   2HD2  LEU 130          3HD2      LEU 130 113.680  -8.203  -8.203
  976   3HD2  LEU 130          2HD2      LEU 130 113.987  -6.557  -6.557
  977    H    ARG 131           H        ARG 131 113.001 -11.200 -11.200
  978    HA   ARG 131           HA       ARG 131 115.616 -11.865 -11.865
  979   1HB   ARG 131          2HB       ARG 131 113.670 -11.990 -11.990
  980   2HB   ARG 131          1HB       ARG 131 112.975 -13.282 -13.282
  981   1HG   ARG 131          2HG       ARG 131 114.764 -14.796 -14.796
  982   2HG   ARG 131          1HG       ARG 131 115.639 -13.500 -13.500
  983   1HD   ARG 131          2HD       ARG 131 113.081 -13.482 -13.482
  984   2HD   ARG 131          1HD       ARG 131 113.522 -15.196 -15.196
  985    HE   ARG 131           HE       ARG 131 115.677 -14.613 -14.613
  986   1HH1  ARG 131          2HH1      ARG 131 113.957 -11.759 -11.759
  987   2HH1  ARG 131          1HH1      ARG 131 114.106 -11.227 -11.227
  988   1HH2  ARG 131          1HH2      ARG 131 115.477 -14.204 -14.204
  989   2HH2  ARG 131          2HH2      ARG 131 114.962 -12.609 -12.609
  990    H    ALA 132           H        ALA 132 113.592 -13.404 -13.404
  991    HA   ALA 132           HA       ALA 132 115.171 -15.876 -15.876
  992   1HB   ALA 132          1HB       ALA 132 112.643 -15.426 -15.426
  993   2HB   ALA 132          3HB       ALA 132 113.223 -14.867 -14.867
  994   3HB   ALA 132          2HB       ALA 132 113.522 -16.528 -16.528
  995    H    ALA 133           H        ALA 133 114.496 -13.226 -13.226
  996    HA   ALA 133           HA       ALA 133 116.734 -13.972 -13.972
  997   1HB   ALA 133          3HB       ALA 133 114.804 -11.645 -11.645
  998   2HB   ALA 133          2HB       ALA 133 115.999 -11.824 -11.824
  999   3HB   ALA 133          1HB       ALA 133 114.729 -13.032 -13.032
 1000    H    ALA 134           H        ALA 134 116.658 -12.373 -12.373
 1001    HA   ALA 134           HA       ALA 134 118.897 -10.533 -10.533
 1002   1HB   ALA 134          2HB       ALA 134 116.759  -9.741  -9.741
 1003   2HB   ALA 134          1HB       ALA 134 117.273 -10.658 -10.658
 1004   3HB   ALA 134          3HB       ALA 134 118.254  -9.311  -9.311
 1005    H    GLY 135           H        GLY 135 117.954 -13.036 -13.036
 1006   1HA   GLY 135          2HA       GLY 135 120.828 -13.247 -13.247
 1007   2HA   GLY 135          1HA       GLY 135 119.478 -13.750 -13.750
 1008    H    GLY 136           H        GLY 136 118.738 -15.843 -15.843
 1009   1HA   GLY 136          2HA       GLY 136 118.422 -17.980 -17.980
 1010   2HA   GLY 136          1HA       GLY 136 119.344 -17.433 -17.433
 1011    H    THR 137           H        THR 137 119.538 -18.961 -18.961
 1012    HA   THR 137           HA       THR 137 122.491 -18.995 -18.995
 1013    HB   THR 137           HB       THR 137 122.070 -20.255 -20.255
 1014    HG1  THR 137           HG1      THR 137 119.984 -20.626 -20.626
 1015   1HG2  THR 137          1HG2      THR 137 121.666 -17.574 -17.574
 1016   2HG2  THR 137          3HG2      THR 137 120.190 -18.024 -18.024
 1017   3HG2  THR 137          2HG2      THR 137 121.761 -18.282 -18.282
 1018    H    ARG 138           H        ARG 138 120.586 -20.519 -20.519
 1019    HA   ARG 138           HA       ARG 138 121.609 -23.285 -23.285
 1020   1HB   ARG 138          2HB       ARG 138 119.162 -22.797 -22.797
 1021   2HB   ARG 138          1HB       ARG 138 119.556 -22.236 -22.236
 1022   1HG   ARG 138          2HG       ARG 138 120.736 -24.558 -24.558
 1023   2HG   ARG 138          1HG       ARG 138 119.727 -25.020 -25.020
 1024   1HD   ARG 138          2HD       ARG 138 117.919 -23.724 -23.724
 1025   2HD   ARG 138          1HD       ARG 138 118.958 -24.597 -24.597
 1026    HE   ARG 138           HE       ARG 138 118.582 -26.597 -26.597
 1027   1HH1  ARG 138          1HH2      ARG 138 116.605 -24.881 -24.881
 1028   2HH1  ARG 138          2HH2      ARG 138 115.096 -25.460 -25.460
 1029   1HH2  ARG 138          2HH1      ARG 138 116.523 -27.002 -27.002
 1030   2HH2  ARG 138          1HH1      ARG 138 115.048 -26.663 -26.663
 1031    H    GLY 139           H        GLY 139 122.850 -24.330 -24.330
 1032   1HA   GLY 139          2HA       GLY 139 123.364 -23.690 -23.690
 1033   2HA   GLY 139          1HA       GLY 139 124.364 -22.524 -22.524
 1034    H    SER 140           H        SER 140 126.263 -23.218 -23.218
 1035    HA   SER 140           HA       SER 140 126.853 -26.003 -26.003
 1036   1HB   SER 140          2HB       SER 140 128.682 -25.941 -25.941
 1037   2HB   SER 140          1HB       SER 140 127.018 -26.363 -26.363
 1038    HG   SER 140           HG       SER 140 128.380 -23.913 -23.913
 1039    H    ASN 141           H        ASN 141 129.323 -26.220 -26.220
 1040    HA   ASN 141           HA       ASN 141 131.180 -25.477 -25.477
 1041   1HB   ASN 141          2HB       ASN 141 130.550 -23.085 -23.085
 1042   2HB   ASN 141          1HB       ASN 141 132.052 -23.275 -23.275
 1043   1HD2  ASN 141          1HD2      ASN 141 132.303 -23.107 -23.107
 1044   2HD2  ASN 141          2HD2      ASN 141 132.679 -24.628 -24.628
 1045    H    HIS 142           H        HIS 142 130.309 -25.374 -25.374
 1046    HA   HIS 142           HA       HIS 142 128.529 -23.447 -23.447
 1047   1HB   HIS 142          2HB       HIS 142 130.607 -25.319 -25.319
 1048   2HB   HIS 142          1HB       HIS 142 130.101 -24.052 -24.052
 1049    HD1  HIS 142           HD1      HIS 142 129.065 -27.288 -27.288
 1050    HD2  HIS 142           HD2      HIS 142 127.165 -24.035 -24.035
 1051    HE1  HIS 142           HE1      HIS 142 126.774 -28.098 -28.098
 1052    H    ALA 143           H        ALA 143 131.780 -23.271 -23.271
 1053    HA   ALA 143           HA       ALA 143 133.102 -21.372 -21.372
 1054   1HB   ALA 143          1HB       ALA 143 132.231 -21.083 -21.083
 1055   2HB   ALA 143          3HB       ALA 143 133.335 -19.922 -19.922
 1056   3HB   ALA 143          2HB       ALA 143 133.791 -21.620 -21.620
 1057    H    ARG 144           H        ARG 144 130.088 -21.209 -21.209
 1058    HA   ARG 144           HA       ARG 144 129.365 -18.424 -18.424
 1059   1HB   ARG 144          2HB       ARG 144 127.963 -20.659 -20.659
 1060   2HB   ARG 144          1HB       ARG 144 127.992 -20.186 -20.186
 1061   1HG   ARG 144          2HG       ARG 144 126.989 -18.043 -18.043
 1062   2HG   ARG 144          1HG       ARG 144 127.121 -18.349 -18.349
 1063   1HD   ARG 144          2HD       ARG 144 124.807 -18.769 -18.769
 1064   2HD   ARG 144          1HD       ARG 144 125.538 -20.227 -20.227
 1065    HE   ARG 144           HE       ARG 144 126.172 -19.973 -19.973
 1066   1HH1  ARG 144          1HH2      ARG 144 125.147 -22.285 -22.285
 1067   2HH1  ARG 144          2HH2      ARG 144 123.764 -22.796 -22.796
 1068   1HH2  ARG 144          2HH1      ARG 144 123.779 -20.024 -20.024
 1069   2HH2  ARG 144          1HH1      ARG 144 122.989 -21.515 -21.515
 1070    H    ILE 145           H        ILE 145 129.289 -16.741 -16.741
 1071    HA   ILE 145           HA       ILE 145 131.248 -16.867 -16.867
 1072    HB   ILE 145           HB       ILE 145 130.615 -14.907 -14.907
 1073   1HG1  ILE 145          2HG1      ILE 145 130.245 -13.722 -13.722
 1074   2HG1  ILE 145          1HG1      ILE 145 131.467 -14.993 -14.993
 1075   1HG2  ILE 145          3HG2      ILE 145 128.045 -15.461 -15.461
 1076   2HG2  ILE 145          2HG2      ILE 145 128.507 -13.985 -13.985
 1077   3HG2  ILE 145          1HG2      ILE 145 128.535 -14.034 -14.034
 1078   1HD1  ILE 145          2HD1      ILE 145 132.539 -13.929 -13.929
 1079   2HD1  ILE 145          1HD1      ILE 145 131.406 -12.588 -12.588
 1080   3HD1  ILE 145          3HD1      ILE 145 132.581 -12.922 -12.922
 1081    H    ASP 146           H        ASP 146 130.872 -16.854 -16.854
 1082    HA   ASP 146           HA       ASP 146 128.420 -16.567 -16.567
 1083   1HB   ASP 146          2HB       ASP 146 128.650 -18.990 -18.990
 1084   2HB   ASP 146          1HB       ASP 146 128.655 -19.415 -19.415
 1085    H    ALA 147           H        ALA 147 130.918 -15.780 -15.780
 1086    HA   ALA 147           HA       ALA 147 131.325 -16.960 -16.960
 1087   1HB   ALA 147          2HB       ALA 147 132.411 -18.376 -18.376
 1088   2HB   ALA 147          1HB       ALA 147 133.774 -17.415 -17.415
 1089   3HB   ALA 147          3HB       ALA 147 132.936 -18.503 -18.503
 1090    H    ALA 148           H        ALA 148 131.196 -14.624 -14.624
 1091    HA   ALA 148           HA       ALA 148 132.756 -12.573 -12.573
 1092   1HB   ALA 148          1HB       ALA 148 131.263 -13.131 -13.131
 1093   2HB   ALA 148          3HB       ALA 148 132.629 -12.059 -12.059
 1094   3HB   ALA 148          2HB       ALA 148 131.415 -11.617 -11.617
 1095    H    GLU 149           H        GLU 149 134.936 -12.588 -12.588
 1096    HA   GLU 149           HA       GLU 149 136.717 -14.159 -14.159
 1097   1HB   GLU 149          2HB       GLU 149 136.686 -13.349 -13.349
 1098   2HB   GLU 149          1HB       GLU 149 137.807 -12.181 -12.181
 1099   1HG   GLU 149          2HG       GLU 149 138.976 -14.188 -14.188
 1100   2HG   GLU 149          1HG       GLU 149 138.022 -15.194 -15.194
 1101    H    GLY 150           H        GLY 150 138.294 -13.269 -13.269
 1102   1HA   GLY 150          2HA       GLY 150 139.237 -11.692 -11.692
 1103   2HA   GLY 150          1HA       GLY 150 138.733 -10.444 -10.444
 1104    HA   PRO 151           HA       PRO 151 135.276 -11.292 -11.292
 1105   1HB   PRO 151          2HB       PRO 151 136.340 -11.592 -11.592
 1106   2HB   PRO 151          1HB       PRO 151 135.966 -12.966 -12.966
 1107   1HG   PRO 151          2HG       PRO 151 138.586 -11.647 -11.647
 1108   2HG   PRO 151          1HG       PRO 151 138.205 -13.366 -13.366
 1109   1HD   PRO 151          2HD       PRO 151 139.325 -11.888 -11.888
 1110   2HD   PRO 151          1HD       PRO 151 138.260 -13.279 -13.279
 1111    H    SER 152           H        SER 152 134.406  -9.491  -9.491
 1112    HA   SER 152           HA       SER 152 136.178  -7.111  -7.111
 1113   1HB   SER 152          2HB       SER 152 133.256  -7.705  -7.705
 1114   2HB   SER 152          1HB       SER 152 133.724  -6.162  -6.162
 1115    HG   SER 152           HG       SER 152 133.847  -5.642  -5.642
 1116    H    ASP 153           H        ASP 153 137.119  -6.798  -6.798
 1117    HA   ASP 153           HA       ASP 153 136.231  -8.003  -8.003
 1118   1HB   ASP 153          2HB       ASP 153 137.927  -6.465  -6.465
 1119   2HB   ASP 153          1HB       ASP 153 138.533  -7.271  -7.271
 1120    H    ILE 154           H        ILE 154 135.302  -6.915  -6.915
 1121    HA   ILE 154           HA       ILE 154 133.655  -4.499  -4.499
 1122    HB   ILE 154           HB       ILE 154 133.004  -6.911  -6.911
 1123   1HG1  ILE 154          2HG1      ILE 154 132.984  -7.415  -7.415
 1124   2HG1  ILE 154          1HG1      ILE 154 131.342  -7.404  -7.404
 1125   1HG2  ILE 154          3HG2      ILE 154 131.950  -4.286  -4.286
 1126   2HG2  ILE 154          2HG2      ILE 154 130.746  -5.274  -5.274
 1127   3HG2  ILE 154          1HG2      ILE 154 131.298  -5.722  -5.722
 1128   1HD1  ILE 154          3HD1      ILE 154 131.322  -4.901  -4.901
 1129   2HD1  ILE 154          2HD1      ILE 154 132.701  -5.345  -5.345
 1130   3HD1  ILE 154          1HD1      ILE 154 131.143  -6.136  -6.136
 1131    HA   PRO 155           HA       PRO 155 136.187  -3.317  -3.317
 1132   1HB   PRO 155          2HB       PRO 155 136.085  -0.626  -0.626
 1133   2HB   PRO 155          1HB       PRO 155 137.258  -1.708  -1.708
 1134   1HG   PRO 155          2HG       PRO 155 134.706  -0.606  -0.606
 1135   2HG   PRO 155          1HG       PRO 155 136.259  -0.843  -0.843
 1136   1HD   PRO 155          2HD       PRO 155 134.145  -2.527  -2.527
 1137   2HD   PRO 155          1HD       PRO 155 135.838  -3.052  -3.052
 1138    H    ASP 156           HN       ASP 156 134.976  -3.374  -3.374
 1139    HA   ASP 156           HA       ASP 156 133.253  -2.918  -2.918
 1140   1HB   ASP 156          2HB       ASP 156 133.731  -0.372  -0.372
 1141   2HB   ASP 156          1HB       ASP 156 132.463  -0.425  -0.425

  Start of MODEL    4
    1   1H    MET   1          2H        MET   1 122.918   4.128   4.128
    2   2H    MET   1          1H        MET   1 123.363   4.066   4.066
    3   3H    MET   1          3H        MET   1 123.346   2.646   2.646
    4    HA   MET   1           HA       MET   1 121.358   2.458   2.458
    5   1HB   MET   1          2HB       MET   1 121.483   5.454   5.454
    6   2HB   MET   1          1HB       MET   1 119.957   4.683   4.683
    7   1HG   MET   1          2HG       MET   1 120.737   3.977   3.977
    8   2HG   MET   1          1HG       MET   1 122.417   3.920   3.920
    9   1HE   MET   1          2HE       MET   1 122.738   4.581   4.581
   10   2HE   MET   1          1HE       MET   1 123.511   6.162   6.162
   11   3HE   MET   1          3HE       MET   1 121.926   5.900   5.900
   12    H    GLU   2           H        GLU   2 119.372   1.903   1.903
   13    HA   GLU   2           HA       GLU   2 119.234   1.624   1.624
   14   1HB   GLU   2          2HB       GLU   2 117.368   1.552   1.552
   15   2HB   GLU   2          1HB       GLU   2 116.611   1.713   1.713
   16   1HG   GLU   2          2HG       GLU   2 117.117  -0.413  -0.413
   17   2HG   GLU   2          1HG       GLU   2 118.761  -0.285  -0.285
   18    HA   PRO   3           HA       PRO   3 116.631   5.638   5.638
   19   1HB   PRO   3          2HB       PRO   3 116.446   7.211   7.211
   20   2HB   PRO   3          1HB       PRO   3 115.282   5.921   5.921
   21   1HG   PRO   3          2HG       PRO   3 117.568   5.918   5.918
   22   2HG   PRO   3          1HG       PRO   3 115.965   5.188   5.188
   23   1HD   PRO   3          2HD       PRO   3 118.206   3.773   3.773
   24   2HD   PRO   3          1HD       PRO   3 116.567   3.296   3.296
   25    H    ALA   4           H        ALA   4 118.970   5.705   5.705
   26    HA   ALA   4           HA       ALA   4 121.179   7.025   7.025
   27   1HB   ALA   4          1HB       ALA   4 119.906   6.925   6.925
   28   2HB   ALA   4          3HB       ALA   4 121.420   7.797   7.797
   29   3HB   ALA   4          2HB       ALA   4 121.333   6.065   6.065
   30    H    ALA   5           H        ALA   5 120.399   8.746   8.746
   31    HA   ALA   5           HA       ALA   5 119.728  10.951  10.951
   32   1HB   ALA   5          2HB       ALA   5 121.331  10.927  10.927
   33   2HB   ALA   5          1HB       ALA   5 120.511  12.437  12.437
   34   3HB   ALA   5          3HB       ALA   5 121.659  11.741  11.741
   35    H    GLY   6           H        GLY   6 117.388  10.152  10.152
   36   1HA   GLY   6          2HA       GLY   6 116.006  10.649  10.649
   37   2HA   GLY   6          1HA       GLY   6 115.233  10.425  10.425
   38    H    SER   7           H        SER   7 114.196  12.175  12.175
   39    HA   SER   7           HA       SER   7 114.178  14.703  14.703
   40   1HB   SER   7          2HB       SER   7 113.179  13.497  13.497
   41   2HB   SER   7          1HB       SER   7 113.168  15.253  15.253
   42    HG   SER   7           HG       SER   7 112.196  13.704  13.704
   43    H    SER   8           H        SER   8 115.227  14.262  14.262
   44    HA   SER   8           HA       SER   8 117.186  16.476  16.476
   45   1HB   SER   8          2HB       SER   8 115.844  15.180  15.180
   46   2HB   SER   8          1HB       SER   8 117.181  16.309  16.309
   47    HG   SER   8           HG       SER   8 115.126  17.340  17.340
   48    H    MET   9           H        MET   9 119.383  16.200  16.200
   49    HA   MET   9           HA       MET   9 120.746  13.834  13.834
   50   1HB   MET   9          2HB       MET   9 121.319  16.416  16.416
   51   2HB   MET   9          1HB       MET   9 121.942  15.430  15.430
   52   1HG   MET   9          2HG       MET   9 123.777  15.471  15.471
   53   2HG   MET   9          1HG       MET   9 122.971  13.997  13.997
   54   1HE   MET   9          2HE       MET   9 123.604  17.537  17.537
   55   2HE   MET   9          1HE       MET   9 123.610  17.970  17.970
   56   3HE   MET   9          3HE       MET   9 122.103  18.025  18.025
   57    H    GLU  10           H        GLU  10 120.213  15.053  15.053
   58    HA   GLU  10           HA       GLU  10 119.225  12.604  12.604
   59   1HB   GLU  10          2HB       GLU  10 121.425  11.995  11.995
   60   2HB   GLU  10          1HB       GLU  10 121.362  11.668  11.668
   61   1HG   GLU  10          2HG       GLU  10 122.879  13.313  13.313
   62   2HG   GLU  10          1HG       GLU  10 122.318  14.373  14.373
   63    HA   PRO  11           HA       PRO  11 119.034  16.321  16.321
   64   1HB   PRO  11          2HB       PRO  11 116.519  15.800  15.800
   65   2HB   PRO  11          1HB       PRO  11 116.817  16.647  16.647
   66   1HG   PRO  11          2HG       PRO  11 116.074  13.802  13.802
   67   2HG   PRO  11          1HG       PRO  11 115.542  14.916  14.916
   68   1HD   PRO  11          2HD       PRO  11 117.434  12.994  12.994
   69   2HD   PRO  11          1HD       PRO  11 117.381  14.514  14.514
   70    H    SER  12           H        SER  12 119.168  16.422  16.422
   71    HA   SER  12           HA       SER  12 120.381  14.262  14.262
   72   1HB   SER  12          2HB       SER  12 119.148  16.855  16.855
   73   2HB   SER  12          1HB       SER  12 119.143  15.712  15.712
   74    HG   SER  12           HG       SER  12 121.455  15.386  15.386
   75    H    ALA  13           H        ALA  13 119.577  12.468  12.468
   76    HA   ALA  13           HA       ALA  13 116.812  11.677  11.677
   77   1HB   ALA  13          1HB       ALA  13 119.153  10.404  10.404
   78   2HB   ALA  13          3HB       ALA  13 118.546  10.391  10.391
   79   3HB   ALA  13          2HB       ALA  13 117.600   9.649   9.649
   80    H    ASP  14           H        ASP  14 115.136  11.719  11.719
   81    HA   ASP  14           HA       ASP  14 115.465  12.287  12.287
   82   1HB   ASP  14          2HB       ASP  14 116.231  14.444  14.444
   83   2HB   ASP  14          1HB       ASP  14 114.816  14.584  14.584
   84    H    TRP  15           H        TRP  15 113.291  13.044  13.044
   85    HA   TRP  15           HA       TRP  15 110.788  13.099  13.099
   86   1HB   TRP  15          2HB       TRP  15 111.872  11.777  11.777
   87   2HB   TRP  15          1HB       TRP  15 110.139  11.805  11.805
   88    HD1  TRP  15           HD1      TRP  15 111.004  14.861  14.861
   89    HE1  TRP  15           HE1      TRP  15 110.862  16.873  16.873
   90    HE3  TRP  15           HE3      TRP  15 111.007  12.436  12.436
   91    HZ2  TRP  15           HZ2      TRP  15 110.762  17.396  17.396
   92    HZ3  TRP  15           HZ3      TRP  15 110.890  13.719  13.719
   93    HH2  TRP  15           HH2      TRP  15 110.765  16.193  16.193
   94    H    LEU  16           H        LEU  16 112.822  10.249  10.249
   95    HA   LEU  16           HA       LEU  16 110.765   8.323   8.323
   96   1HB   LEU  16          2HB       LEU  16 113.774   8.052   8.052
   97   2HB   LEU  16          1HB       LEU  16 112.595   6.781   6.781
   98    HG   LEU  16           HG       LEU  16 113.508   8.978   8.978
   99   1HD1  LEU  16          2HD1      LEU  16 114.567   6.548   6.548
  100   2HD1  LEU  16          1HD1      LEU  16 113.280   6.100   6.100
  101   3HD1  LEU  16          3HD1      LEU  16 114.485   7.291   7.291
  102   1HD2  LEU  16          2HD2      LEU  16 110.898   7.675   7.675
  103   2HD2  LEU  16          1HD2      LEU  16 111.411   9.008   9.008
  104   3HD2  LEU  16          3HD2      LEU  16 111.681   7.343   7.343
  105    H    ALA  17           H        ALA  17 113.645   9.647   9.647
  106    HA   ALA  17           HA       ALA  17 113.125   8.566   8.566
  107   1HB   ALA  17          3HB       ALA  17 115.111   9.945   9.945
  108   2HB   ALA  17          2HB       ALA  17 114.408  11.236  11.236
  109   3HB   ALA  17          1HB       ALA  17 115.009   9.772   9.772
  110    H    THR  18           H        THR  18 111.921  11.433  11.433
  111    HA   THR  18           HA       THR  18 110.767  12.705  12.705
  112    HB   THR  18           HB       THR  18 109.430  13.738  13.738
  113    HG1  THR  18           HG1      THR  18 111.668  13.447  13.447
  114   1HG2  THR  18          2HG2      THR  18 112.136  14.203  14.203
  115   2HG2  THR  18          1HG2      THR  18 111.696  15.096  15.096
  116   3HG2  THR  18          3HG2      THR  18 110.718  15.252  15.252
  117    H    ALA  19           H        ALA  19 109.188  11.100  11.100
  118    HA   ALA  19           HA       ALA  19 106.556  11.025  11.025
  119   1HB   ALA  19          2HB       ALA  19 108.198   9.041   9.041
  120   2HB   ALA  19          1HB       ALA  19 106.449   8.905   8.905
  121   3HB   ALA  19          3HB       ALA  19 107.144  10.305  10.305
  122    H    ALA  20           H        ALA  20 108.994   8.442   8.442
  123    HA   ALA  20           HA       ALA  20 107.592   6.648   6.648
  124   1HB   ALA  20          1HB       ALA  20 110.247   7.166   7.166
  125   2HB   ALA  20          3HB       ALA  20 110.301   7.076   7.076
  126   3HB   ALA  20          2HB       ALA  20 109.660   5.726   5.726
  127    H    ALA  21           H        ALA  21 109.494   9.466   9.466
  128    HA   ALA  21           HA       ALA  21 108.758   9.095   9.095
  129   1HB   ALA  21          3HB       ALA  21 110.589  10.555  10.555
  130   2HB   ALA  21          2HB       ALA  21 109.364  11.804  11.804
  131   3HB   ALA  21          1HB       ALA  21 110.055  10.984  10.984
  132    H    ARG  22           H        ARG  22 107.344  10.979  10.979
  133    HA   ARG  22           HA       ARG  22 105.283  12.134  12.134
  134   1HB   ARG  22          2HB       ARG  22 106.444  12.579  12.579
  135   2HB   ARG  22          1HB       ARG  22 104.678  12.648  12.648
  136   1HG   ARG  22          2HG       ARG  22 104.588  14.358  14.358
  137   2HG   ARG  22          1HG       ARG  22 106.271  14.108  14.108
  138   1HD   ARG  22          2HD       ARG  22 107.014  14.932  14.932
  139   2HD   ARG  22          1HD       ARG  22 105.323  15.173  15.173
  140    HE   ARG  22           HE       ARG  22 106.377  16.519  16.519
  141   1HH1  ARG  22          2HH1      ARG  22 103.596  17.080  17.080
  142   2HH1  ARG  22          1HH1      ARG  22 103.724  18.513  18.513
  143   1HH2  ARG  22          1HH2      ARG  22 107.128  18.148  18.148
  144   2HH2  ARG  22          2HH2      ARG  22 105.727  19.118  19.118
  145    H    GLY  23           H        GLY  23 105.558   9.098   9.098
  146   1HA   GLY  23          2HA       GLY  23 104.097   7.355   7.355
  147   2HA   GLY  23          1HA       GLY  23 102.864   8.375   8.375
  148    H    ARG  24           H        ARG  24 104.663   7.974   7.974
  149    HA   ARG  24           HA       ARG  24 102.146   8.633   8.633
  150   1HB   ARG  24          2HB       ARG  24 104.930   9.772   9.772
  151   2HB   ARG  24          1HB       ARG  24 103.750   9.872   9.872
  152   1HG   ARG  24          2HG       ARG  24 102.166  11.018  11.018
  153   2HG   ARG  24          1HG       ARG  24 103.338  10.915  10.915
  154   1HD   ARG  24          2HD       ARG  24 104.848  12.402  12.402
  155   2HD   ARG  24          1HD       ARG  24 104.019  12.249  12.249
  156    HE   ARG  24           HE       ARG  24 102.053  13.158  13.158
  157   1HH1  ARG  24          1HH2      ARG  24 105.114  14.230  14.230
  158   2HH1  ARG  24          2HH2      ARG  24 104.803  15.896  15.896
  159   1HH2  ARG  24          2HH1      ARG  24 101.715  15.302  15.302
  160   2HH2  ARG  24          1HH1      ARG  24 102.899  16.497  16.497
  161    H    VAL  25           H        VAL  25 102.420   6.104   6.104
  162    HA   VAL  25           HA       VAL  25 104.433   4.733   4.733
  163    HB   VAL  25           HB       VAL  25 101.487   4.191   4.191
  164   1HG1  VAL  25          2HG1      VAL  25 103.347   2.836   2.836
  165   2HG1  VAL  25          1HG1      VAL  25 102.818   1.761   1.761
  166   3HG1  VAL  25          3HG1      VAL  25 101.628   2.533   2.533
  167   1HG2  VAL  25          3HG2      VAL  25 103.465   4.254   4.254
  168   2HG2  VAL  25          2HG2      VAL  25 102.176   3.052   3.052
  169   3HG2  VAL  25          1HG2      VAL  25 103.733   2.624   2.624
  170    H    GLU  26           H        GLU  26 101.152   5.480   5.480
  171    HA   GLU  26           HA       GLU  26 101.316   4.817   4.817
  172   1HB   GLU  26          2HB       GLU  26 100.040   6.989   6.989
  173   2HB   GLU  26          1HB       GLU  26 100.032   7.207   7.207
  174   1HG   GLU  26          2HG       GLU  26  98.871   5.139   5.139
  175   2HG   GLU  26          1HG       GLU  26  99.125   4.645   4.645
  176    H    GLU  27           H        GLU  27 102.797   7.686   7.686
  177    HA   GLU  27           HA       GLU  27 103.654   8.845   8.845
  178   1HB   GLU  27          2HB       GLU  27 104.004   9.241   9.241
  179   2HB   GLU  27          1HB       GLU  27 105.285   9.899   9.899
  180   1HG   GLU  27          2HG       GLU  27 103.968  11.624  11.624
  181   2HG   GLU  27          1HG       GLU  27 102.754  10.508  10.508
  182    H    VAL  28           H        VAL  28 105.423   7.017   7.017
  183    HA   VAL  28           HA       VAL  28 107.910   6.968   6.968
  184    HB   VAL  28           HB       VAL  28 106.759   4.985   4.985
  185   1HG1  VAL  28          1HG1      VAL  28 109.020   4.665   4.665
  186   2HG1  VAL  28          3HG1      VAL  28 109.651   5.689   5.689
  187   3HG1  VAL  28          2HG1      VAL  28 108.893   4.144   4.144
  188   1HG2  VAL  28          3HG2      VAL  28 108.204   7.630   7.630
  189   2HG2  VAL  28          2HG2      VAL  28 106.625   7.192   7.192
  190   3HG2  VAL  28          1HG2      VAL  28 108.088   6.464   6.464
  191    H    ARG  29           H        ARG  29 105.110   4.705   4.705
  192    HA   ARG  29           HA       ARG  29 106.292   2.626   2.626
  193   1HB   ARG  29          2HB       ARG  29 103.625   3.633   3.633
  194   2HB   ARG  29          1HB       ARG  29 103.666   2.952   2.952
  195   1HG   ARG  29          2HG       ARG  29 103.338   0.979   0.979
  196   2HG   ARG  29          1HG       ARG  29 105.086   1.062   1.062
  197   1HD   ARG  29          2HD       ARG  29 104.646   0.912   0.912
  198   2HD   ARG  29          1HD       ARG  29 104.161   2.614   2.614
  199    HE   ARG  29           HE       ARG  29 101.846   1.892   1.892
  200   1HH1  ARG  29          1HH2      ARG  29 103.617   0.022   0.022
  201   2HH1  ARG  29          2HH2      ARG  29 102.675  -1.420  -1.420
  202   1HH2  ARG  29          2HH1      ARG  29 100.843  -0.243  -0.243
  203   2HH2  ARG  29          1HH1      ARG  29 101.100  -1.570  -1.570
  204    H    ALA  30           H        ALA  30 104.909   5.738   5.738
  205    HA   ALA  30           HA       ALA  30 105.276   5.311   5.311
  206   1HB   ALA  30          2HB       ALA  30 104.459   7.513   7.513
  207   2HB   ALA  30          1HB       ALA  30 104.885   7.926   7.926
  208   3HB   ALA  30          3HB       ALA  30 103.567   6.798   6.798
  209    H    LEU  31           H        LEU  31 106.933   7.376   7.376
  210    HA   LEU  31           HA       LEU  31 108.963   8.404   8.404
  211   1HB   LEU  31          2HB       LEU  31 108.845   7.719   7.719
  212   2HB   LEU  31          1HB       LEU  31 110.239   8.522   8.522
  213    HG   LEU  31           HG       LEU  31 107.611   9.685   9.685
  214   1HD1  LEU  31          2HD1      LEU  31 108.221   9.116   9.116
  215   2HD1  LEU  31          1HD1      LEU  31 108.335  10.855  10.855
  216   3HD1  LEU  31          3HD1      LEU  31 106.846  10.006  10.006
  217   1HD2  LEU  31          2HD2      LEU  31 110.281  10.787  10.787
  218   2HD2  LEU  31          1HD2      LEU  31 109.699  10.720  10.720
  219   3HD2  LEU  31          3HD2      LEU  31 108.911  11.779  11.779
  220    H    LEU  32           H        LEU  32 109.479   5.726   5.726
  221    HA   LEU  32           HA       LEU  32 111.935   4.762   4.762
  222   1HB   LEU  32          2HB       LEU  32 109.432   3.523   3.523
  223   2HB   LEU  32          1HB       LEU  32 110.730   2.452   2.452
  224    HG   LEU  32           HG       LEU  32 111.152   4.765   4.765
  225   1HD1  LEU  32          3HD1      LEU  32 109.590   2.755   2.755
  226   2HD1  LEU  32          2HD1      LEU  32 111.116   1.883   1.883
  227   3HD1  LEU  32          1HD1      LEU  32 110.828   3.327   3.327
  228   1HD2  LEU  32          3HD2      LEU  32 113.004   3.506   3.506
  229   2HD2  LEU  32          2HD2      LEU  32 113.322   3.986   3.986
  230   3HD2  LEU  32          1HD2      LEU  32 112.866   2.325   2.325
  231    H    GLU  33           H        GLU  33 108.777   3.763   3.763
  232    HA   GLU  33           HA       GLU  33 109.881   2.166   2.166
  233   1HB   GLU  33          2HB       GLU  33 107.216   3.390   3.390
  234   2HB   GLU  33          1HB       GLU  33 107.433   2.519   2.519
  235   1HG   GLU  33          2HG       GLU  33 108.125   0.515   0.515
  236   2HG   GLU  33          1HG       GLU  33 108.131   1.367   1.367
  237    H    ALA  34           H        ALA  34 109.511   5.566   5.566
  238    HA   ALA  34           HA       ALA  34 109.375   6.188   6.188
  239   1HB   ALA  34          1HB       ALA  34 109.343   7.643   7.643
  240   2HB   ALA  34          3HB       ALA  34 109.726   8.548   8.548
  241   3HB   ALA  34          2HB       ALA  34 108.182   7.709   7.709
  242    H    GLY  35           H        GLY  35 111.838   5.351   5.351
  243   1HA   GLY  35          2HA       GLY  35 114.112   5.168   5.168
  244   2HA   GLY  35          1HA       GLY  35 113.860   6.783   6.783
  245    H    ALA  36           H        ALA  36 112.813   5.924   5.924
  246    HA   ALA  36           HA       ALA  36 114.339   8.100   8.100
  247   1HB   ALA  36          2HB       ALA  36 112.080   6.570   6.570
  248   2HB   ALA  36          1HB       ALA  36 113.208   6.114   6.114
  249   3HB   ALA  36          3HB       ALA  36 112.761   7.805   7.805
  250    H    LEU  37           H        LEU  37 115.815   7.694   7.694
  251    HA   LEU  37           HA       LEU  37 117.824   5.694   5.694
  252   1HB   LEU  37          2HB       LEU  37 117.604   8.127   8.127
  253   2HB   LEU  37          1HB       LEU  37 118.360   6.896   6.896
  254    HG   LEU  37           HG       LEU  37 119.553   6.570   6.570
  255   1HD1  LEU  37          2HD1      LEU  37 118.828   9.405   9.405
  256   2HD1  LEU  37          1HD1      LEU  37 120.464   9.097   9.097
  257   3HD1  LEU  37          3HD1      LEU  37 119.074   8.581   8.581
  258   1HD2  LEU  37          1HD2      LEU  37 120.568   6.414   6.414
  259   2HD2  LEU  37          3HD2      LEU  37 121.566   7.286   7.286
  260   3HD2  LEU  37          2HD2      LEU  37 120.625   8.176   8.176
  261    HA   PRO  38           HA       PRO  38 116.192   2.577   2.577
  262   1HB   PRO  38          2HB       PRO  38 118.329   0.879   0.879
  263   2HB   PRO  38          1HB       PRO  38 117.195   1.049   1.049
  264   1HG   PRO  38          2HG       PRO  38 119.926   2.158   2.158
  265   2HG   PRO  38          1HG       PRO  38 119.110   1.589   1.589
  266   1HD   PRO  38          2HD       PRO  38 119.430   4.238   4.238
  267   2HD   PRO  38          1HD       PRO  38 118.193   3.623   3.623
  268    H    ASN  39           H        ASN  39 119.540   3.708   3.708
  269    HA   ASN  39           HA       ASN  39 119.331   3.137   3.137
  270   1HB   ASN  39          2HB       ASN  39 121.597   3.704   3.704
  271   2HB   ASN  39          1HB       ASN  39 121.841   3.627   3.627
  272   1HD2  ASN  39          1HD2      ASN  39 120.982   1.526   1.526
  273   2HD2  ASN  39          2HD2      ASN  39 121.140   0.090   0.090
  274    H    ALA  40           H        ALA  40 121.282   5.686   5.686
  275    HA   ALA  40           HA       ALA  40 121.355   8.010   8.010
  276   1HB   ALA  40          2HB       ALA  40 118.604   7.137   7.137
  277   2HB   ALA  40          1HB       ALA  40 118.678   8.535   8.535
  278   3HB   ALA  40          3HB       ALA  40 119.373   8.623   8.623
  279    HA   PRO  41           HA       PRO  41 121.264   6.981   6.981
  280   1HB   PRO  41          2HB       PRO  41 123.938   7.362   7.362
  281   2HB   PRO  41          1HB       PRO  41 123.243   5.803   5.803
  282   1HG   PRO  41          2HG       PRO  41 124.632   7.870   7.870
  283   2HG   PRO  41          1HG       PRO  41 124.725   6.104   6.104
  284   1HD   PRO  41          2HD       PRO  41 123.257   7.620   7.620
  285   2HD   PRO  41          1HD       PRO  41 122.852   5.942   5.942
  286    H    ASN  42           H        ASN  42 120.225   8.898   8.898
  287    HA   ASN  42           HA       ASN  42 121.791  11.044  11.044
  288   1HB   ASN  42          2HB       ASN  42 121.441  12.770  12.770
  289   2HB   ASN  42          1HB       ASN  42 121.976  11.373  11.373
  290   1HD2  ASN  42          1HD2      ASN  42 120.197  10.060  10.060
  291   2HD2  ASN  42          2HD2      ASN  42 118.773  10.848  10.848
  292    H    SER  43           H        SER  43 119.827  13.127  13.127
  293    HA   SER  43           HA       SER  43 117.755  13.837  13.837
  294   1HB   SER  43          2HB       SER  43 117.239  11.829  11.829
  295   2HB   SER  43          1HB       SER  43 116.781  11.015  11.015
  296    HG   SER  43           HG       SER  43 114.986  12.071  12.071
  297    H    TYR  44           H        TYR  44 118.820  14.076  14.076
  298    HA   TYR  44           HA       TYR  44 118.821  13.738  13.738
  299   1HB   TYR  44          2HB       TYR  44 116.882  11.467  11.467
  300   2HB   TYR  44          1HB       TYR  44 116.938  12.612  12.612
  301    HD1  TYR  44           HD1      TYR  44 117.347  15.110  15.110
  302    HD2  TYR  44           HD2      TYR  44 114.550  11.852  11.852
  303    HE1  TYR  44           HE1      TYR  44 115.709  16.532  16.532
  304    HE2  TYR  44           HE2      TYR  44 112.911  13.276  13.276
  305    HH   TYR  44           HH       TYR  44 113.603  15.904  15.904
  306    H    GLY  45           H        GLY  45 120.104  11.738  11.738
  307   1HA   GLY  45          2HA       GLY  45 121.583   9.937   9.937
  308   2HA   GLY  45          1HA       GLY  45 121.837  10.387  10.387
  309    H    ARG  46           H        ARG  46 118.602   9.611   9.611
  310    HA   ARG  46           HA       ARG  46 118.689   7.189   7.189
  311   1HB   ARG  46          2HB       ARG  46 116.625   9.126   9.126
  312   2HB   ARG  46          1HB       ARG  46 116.105   7.519   7.519
  313   1HG   ARG  46          2HG       ARG  46 117.910   9.179   9.179
  314   2HG   ARG  46          1HG       ARG  46 116.161   9.410   9.410
  315   1HD   ARG  46          2HD       ARG  46 115.967   6.882   6.882
  316   2HD   ARG  46          1HD       ARG  46 117.712   6.903   6.903
  317    HE   ARG  46           HE       ARG  46 115.735   8.544   8.544
  318   1HH1  ARG  46          2HH1      ARG  46 119.003   8.230   8.230
  319   2HH1  ARG  46          1HH1      ARG  46 119.366   7.812   7.812
  320   1HH2  ARG  46          1HH2      ARG  46 116.031   7.374   7.374
  321   2HH2  ARG  46          2HH2      ARG  46 117.676   7.325   7.325
  322    H    ARG  47           H        ARG  47 119.806   7.063   7.063
  323    HA   ARG  47           HA       ARG  47 119.665   5.662   5.662
  324   1HB   ARG  47          2HB       ARG  47 118.864   4.325   4.325
  325   2HB   ARG  47          1HB       ARG  47 117.742   3.805   3.805
  326   1HG   ARG  47          2HG       ARG  47 119.379   2.317   2.317
  327   2HG   ARG  47          1HG       ARG  47 120.119   3.690   3.690
  328   1HD   ARG  47          2HD       ARG  47 120.695   2.755   2.755
  329   2HD   ARG  47          1HD       ARG  47 121.798   2.687   2.687
  330    HE   ARG  47           HE       ARG  47 120.882   5.192   5.192
  331   1HH1  ARG  47          2HH1      ARG  47 121.777   4.591   4.591
  332   2HH1  ARG  47          1HH1      ARG  47 123.290   5.435   5.435
  333   1HH2  ARG  47          1HH2      ARG  47 123.303   5.809   5.809
  334   2HH2  ARG  47          2HH2      ARG  47 124.139   6.123   6.123
  335    HA   PRO  48           HA       PRO  48 115.870   6.456   6.456
  336   1HB   PRO  48          2HB       PRO  48 115.426   4.254   4.254
  337   2HB   PRO  48          1HB       PRO  48 116.770   5.377   5.377
  338   1HG   PRO  48          2HG       PRO  48 116.793   2.682   2.682
  339   2HG   PRO  48          1HG       PRO  48 118.038   3.510   3.510
  340   1HD   PRO  48          2HD       PRO  48 117.989   3.219   3.219
  341   2HD   PRO  48          1HD       PRO  48 119.024   4.329   4.329
  342    H    ILE  49           H        ILE  49 115.833   3.349   3.349
  343    HA   ILE  49           HA       ILE  49 112.831   3.439   3.439
  344    HB   ILE  49           HB       ILE  49 114.928   1.290   1.290
  345   1HG1  ILE  49          2HG1      ILE  49 112.674   1.762   1.762
  346   2HG1  ILE  49          1HG1      ILE  49 114.396   1.607   1.607
  347   1HG2  ILE  49          2HG2      ILE  49 113.058   1.136   1.136
  348   2HG2  ILE  49          1HG2      ILE  49 111.934   0.948   0.948
  349   3HG2  ILE  49          3HG2      ILE  49 113.192  -0.255  -0.255
  350   1HD1  ILE  49          1HD1      ILE  49 114.179  -0.765  -0.765
  351   2HD1  ILE  49          3HD1      ILE  49 112.445  -0.547  -0.547
  352   3HD1  ILE  49          2HD1      ILE  49 113.519  -0.513  -0.513
  353    H    GLN  50           H        GLN  50 115.757   3.257   3.257
  354    HA   GLN  50           HA       GLN  50 114.577   2.935   2.935
  355   1HB   GLN  50          2HB       GLN  50 116.881   2.612   2.612
  356   2HB   GLN  50          1HB       GLN  50 117.117   4.020   4.020
  357   1HG   GLN  50          2HG       GLN  50 116.714   5.512   5.512
  358   2HG   GLN  50          1HG       GLN  50 116.394   4.126   4.126
  359   1HE2  GLN  50          1HE2      GLN  50 118.290   4.877   4.877
  360   2HE2  GLN  50          2HE2      GLN  50 119.866   4.525   4.525
  361    H    VAL  51           H        VAL  51 114.374   5.582   5.582
  362    HA   VAL  51           HA       VAL  51 113.758   7.506   7.506
  363    HB   VAL  51           HB       VAL  51 115.467   8.066   8.066
  364   1HG1  VAL  51          2HG1      VAL  51 113.122   7.542   7.542
  365   2HG1  VAL  51          1HG1      VAL  51 114.346   8.718   8.718
  366   3HG1  VAL  51          3HG1      VAL  51 114.798   7.040   7.040
  367   1HG2  VAL  51          2HG2      VAL  51 112.922   9.682   9.682
  368   2HG2  VAL  51          1HG2      VAL  51 114.402   9.916   9.916
  369   3HG2  VAL  51          3HG2      VAL  51 114.379  10.262  10.262
  370    H    MET  52           H        MET  52 112.159   5.275   5.275
  371    HA   MET  52           HA       MET  52 109.936   6.869   6.869
  372   1HB   MET  52          2HB       MET  52 109.045   4.759   4.759
  373   2HB   MET  52          1HB       MET  52 110.788   4.573   4.573
  374   1HG   MET  52          2HG       MET  52 110.814   2.921   2.921
  375   2HG   MET  52          1HG       MET  52 109.866   3.869   3.869
  376   1HE   MET  52          2HE       MET  52 110.267   0.902   0.902
  377   2HE   MET  52          1HE       MET  52 109.192   0.677   0.677
  378   3HE   MET  52          3HE       MET  52 108.704   0.119   0.119
  379    H    MET  53           H        MET  53 107.683   6.503   6.503
  380    HA   MET  53           HA       MET  53 107.551   7.306   7.306
  381   1HB   MET  53          2HB       MET  53 105.939   7.420   7.420
  382   2HB   MET  53          1HB       MET  53 105.278   5.954   5.954
  383   1HG   MET  53          2HG       MET  53 105.482   7.590   7.590
  384   2HG   MET  53          1HG       MET  53 105.086   8.745   8.745
  385   1HE   MET  53          1HE       MET  53 103.826   6.925   6.925
  386   2HE   MET  53          3HE       MET  53 102.100   6.731   6.731
  387   3HE   MET  53          2HE       MET  53 102.821   8.335   8.335
  388    H    MET  54           H        MET  54 108.131   4.224   4.224
  389    HA   MET  54           HA       MET  54 108.131   2.070   2.070
  390   1HB   MET  54          2HB       MET  54 108.310   3.981   3.981
  391   2HB   MET  54          1HB       MET  54 108.123   2.261   2.261
  392   1HG   MET  54          2HG       MET  54 110.306   3.507   3.507
  393   2HG   MET  54          1HG       MET  54 110.504   2.853   2.853
  394   1HE   MET  54          1HE       MET  54 111.353   2.619   2.619
  395   2HE   MET  54          3HE       MET  54 112.426   1.341   1.341
  396   3HE   MET  54          2HE       MET  54 111.257   0.997   0.997
  397    H    GLY  55           H        GLY  55 105.525   3.740   3.740
  398   1HA   GLY  55          2HA       GLY  55 103.766   2.009   2.009
  399   2HA   GLY  55          1HA       GLY  55 103.299   3.604   3.604
  400    H    SER  56           H        SER  56 105.011   2.278   2.278
  401    HA   SER  56           HA       SER  56 102.685   0.828   0.828
  402   1HB   SER  56          2HB       SER  56 103.631   3.474   3.474
  403   2HB   SER  56          1HB       SER  56 103.942   2.453   2.453
  404    HG   SER  56           HG       SER  56 101.712   3.529   3.529
  405    H    ALA  57           H        ALA  57 104.007  -1.109  -1.109
  406    HA   ALA  57           HA       ALA  57 106.688  -1.500  -1.500
  407   1HB   ALA  57          3HB       ALA  57 104.248  -3.289  -3.289
  408   2HB   ALA  57          2HB       ALA  57 105.899  -3.880  -3.880
  409   3HB   ALA  57          1HB       ALA  57 105.390  -3.162  -3.162
  410    H    ARG  58           H        ARG  58 103.853  -1.079  -1.079
  411    HA   ARG  58           HA       ARG  58 104.684  -2.288  -2.288
  412   1HB   ARG  58          2HB       ARG  58 103.266   0.374   0.374
  413   2HB   ARG  58          1HB       ARG  58 103.173  -0.650  -0.650
  414   1HG   ARG  58          2HG       ARG  58 102.519  -2.126  -2.126
  415   2HG   ARG  58          1HG       ARG  58 101.449  -0.745  -0.745
  416   1HD   ARG  58          2HD       ARG  58 100.319  -1.941  -1.941
  417   2HD   ARG  58          1HD       ARG  58 101.795  -2.007  -2.007
  418    HE   ARG  58           HE       ARG  58 102.447  -3.993  -3.993
  419   1HH1  ARG  58          2HH1      ARG  58  99.382  -3.053  -3.053
  420   2HH1  ARG  58          1HH1      ARG  58  98.618  -4.580  -4.580
  421   1HH2  ARG  58          1HH2      ARG  58 101.402  -5.965  -5.965
  422   2HH2  ARG  58          2HH2      ARG  58  99.763  -6.231  -6.231
  423    H    VAL  59           H        VAL  59 105.333   1.006   1.006
  424    HA   VAL  59           HA       VAL  59 106.941   2.006   2.006
  425    HB   VAL  59           HB       VAL  59 107.194   2.339   2.339
  426   1HG1  VAL  59          2HG1      VAL  59 109.146   3.166   3.166
  427   2HG1  VAL  59          1HG1      VAL  59 108.024   4.212   4.212
  428   3HG1  VAL  59          3HG1      VAL  59 108.285   4.446   4.446
  429   1HG2  VAL  59          3HG2      VAL  59 105.433   3.503   3.503
  430   2HG2  VAL  59          2HG2      VAL  59 105.019   3.012   3.012
  431   3HG2  VAL  59          1HG2      VAL  59 105.898   4.514   4.514
  432    H    ALA  60           H        ALA  60 107.943   0.165   0.165
  433    HA   ALA  60           HA       ALA  60 110.695  -0.032  -0.032
  434   1HB   ALA  60          2HB       ALA  60 108.776  -1.135  -1.135
  435   2HB   ALA  60          1HB       ALA  60 109.507  -2.531  -2.531
  436   3HB   ALA  60          3HB       ALA  60 110.514  -1.387  -1.387
  437    H    GLU  61           H        GLU  61 108.115  -2.304  -2.304
  438    HA   GLU  61           HA       GLU  61 109.583  -4.093  -4.093
  439   1HB   GLU  61          2HB       GLU  61 106.949  -3.557  -3.557
  440   2HB   GLU  61          1HB       GLU  61 107.025  -3.144  -3.144
  441   1HG   GLU  61          2HG       GLU  61 107.565  -5.307  -5.307
  442   2HG   GLU  61          1HG       GLU  61 108.300  -5.693  -5.693
  443    H    LEU  62           H        LEU  62 108.155  -0.976  -0.976
  444    HA   LEU  62           HA       LEU  62 108.941  -0.996  -0.996
  445   1HB   LEU  62          2HB       LEU  62 107.841   0.772   0.772
  446   2HB   LEU  62          1HB       LEU  62 109.181   1.624   1.624
  447    HG   LEU  62           HG       LEU  62 106.737   0.427   0.427
  448   1HD1  LEU  62          3HD1      LEU  62 107.506   2.989   2.989
  449   2HD1  LEU  62          2HD1      LEU  62 107.668   3.006   3.006
  450   3HD1  LEU  62          1HD1      LEU  62 106.130   2.574   2.574
  451   1HD2  LEU  62          1HD2      LEU  62 109.462   0.694   0.694
  452   2HD2  LEU  62          3HD2      LEU  62 108.086  -0.220  -0.220
  453   3HD2  LEU  62          2HD2      LEU  62 108.226   1.505   1.505
  454    H    LEU  63           H        LEU  63 110.580   1.082   1.082
  455    HA   LEU  63           HA       LEU  63 112.976   1.422   1.422
  456   1HB   LEU  63          2HB       LEU  63 112.415   1.320   1.320
  457   2HB   LEU  63          1HB       LEU  63 113.887   1.981   1.981
  458    HG   LEU  63           HG       LEU  63 111.141   2.969   2.969
  459   1HD1  LEU  63          1HD1      LEU  63 112.975   3.868   3.868
  460   2HD1  LEU  63          3HD1      LEU  63 111.741   4.922   4.922
  461   3HD1  LEU  63          2HD1      LEU  63 111.272   3.422   3.422
  462   1HD2  LEU  63          3HD2      LEU  63 113.870   3.500   3.500
  463   2HD2  LEU  63          2HD2      LEU  63 112.372   4.116   4.116
  464   3HD2  LEU  63          1HD2      LEU  63 113.137   4.964   4.964
  465    H    LEU  64           H        LEU  64 112.302  -0.961  -0.961
  466    HA   LEU  64           HA       LEU  64 114.757  -2.295  -2.295
  467   1HB   LEU  64          2HB       LEU  64 112.899  -2.737  -2.737
  468   2HB   LEU  64          1HB       LEU  64 111.910  -3.317  -3.317
  469    HG   LEU  64           HG       LEU  64 114.430  -4.749  -4.749
  470   1HD1  LEU  64          3HD1      LEU  64 112.924  -4.333  -4.333
  471   2HD1  LEU  64          2HD1      LEU  64 113.405  -5.992  -5.992
  472   3HD1  LEU  64          1HD1      LEU  64 114.623  -4.725  -4.725
  473   1HD2  LEU  64          3HD2      LEU  64 111.544  -5.218  -5.218
  474   2HD2  LEU  64          2HD2      LEU  64 112.907  -6.041  -6.041
  475   3HD2  LEU  64          1HD2      LEU  64 112.367  -6.522  -6.522
  476    H    LEU  65           H        LEU  65 112.018  -3.673  -3.673
  477    HA   LEU  65           HA       LEU  65 113.471  -5.543  -5.543
  478   1HB   LEU  65          2HB       LEU  65 111.473  -5.785  -5.785
  479   2HB   LEU  65          1HB       LEU  65 110.901  -4.956  -4.956
  480    HG   LEU  65           HG       LEU  65 111.457  -2.790  -2.790
  481   1HD1  LEU  65          2HD1      LEU  65 111.291  -5.038  -5.038
  482   2HD1  LEU  65          1HD1      LEU  65 110.646  -3.456  -3.456
  483   3HD1  LEU  65          3HD1      LEU  65 112.345  -3.627  -3.627
  484   1HD2  LEU  65          3HD2      LEU  65 109.162  -4.150  -4.150
  485   2HD2  LEU  65          2HD2      LEU  65 109.200  -2.574  -2.574
  486   3HD2  LEU  65          1HD2      LEU  65 109.002  -4.033  -4.033
  487    H    HIS  66           H        HIS  66 113.352  -2.084  -2.084
  488    HA   HIS  66           HA       HIS  66 114.381  -2.048  -2.048
  489   1HB   HIS  66          2HB       HIS  66 113.249  -0.295  -0.295
  490   2HB   HIS  66          1HB       HIS  66 114.663   0.421   0.421
  491    HD1  HIS  66           HD1      HIS  66 113.934   1.866   1.866
  492    HD2  HIS  66           HD2      HIS  66 111.702  -1.646  -1.646
  493    HE1  HIS  66           HE1      HIS  66 112.312   1.912   1.912
  494    H    GLY  67           H        GLY  67 115.608  -1.202  -1.202
  495   1HA   GLY  67          2HA       GLY  67 118.065  -2.321  -2.321
  496   2HA   GLY  67          1HA       GLY  67 118.315  -0.937  -0.937
  497    H    ALA  68           H        ALA  68 116.197  -1.027  -1.027
  498    HA   ALA  68           HA       ALA  68 117.373   1.440   1.440
  499   1HB   ALA  68          2HB       ALA  68 115.286  -0.526  -0.526
  500   2HB   ALA  68          1HB       ALA  68 116.023   0.300   0.300
  501   3HB   ALA  68          3HB       ALA  68 115.255   1.232   1.232
  502    H    GLU  69           H        GLU  69 117.989   1.150   1.150
  503    HA   GLU  69           HA       GLU  69 120.180  -0.887  -0.887
  504   1HB   GLU  69          2HB       GLU  69 119.898   1.952   1.952
  505   2HB   GLU  69          1HB       GLU  69 120.915   0.932   0.932
  506   1HG   GLU  69          2HG       GLU  69 122.541   0.774   0.774
  507   2HG   GLU  69          1HG       GLU  69 121.370   0.534   0.534
  508    HA   PRO  70           HA       PRO  70 117.072  -1.845  -1.845
  509   1HB   PRO  70          2HB       PRO  70 116.608  -4.433  -4.433
  510   2HB   PRO  70          1HB       PRO  70 115.668  -3.060  -3.060
  511   1HG   PRO  70          2HG       PRO  70 117.919  -4.533  -4.533
  512   2HG   PRO  70          1HG       PRO  70 116.431  -3.908  -3.908
  513   1HD   PRO  70          2HD       PRO  70 118.828  -2.654  -2.654
  514   2HD   PRO  70          1HD       PRO  70 117.271  -1.797  -1.797
  515    H    ASN  71           H        ASN  71 120.063  -2.955  -2.955
  516    HA   ASN  71           HA       ASN  71 120.577  -4.671  -4.671
  517   1HB   ASN  71          2HB       ASN  71 120.895  -5.385  -5.385
  518   2HB   ASN  71          1HB       ASN  71 122.325  -4.354  -4.354
  519   1HD2  ASN  71          1HD2      ASN  71 121.304  -7.526  -7.526
  520   2HD2  ASN  71          2HD2      ASN  71 122.569  -8.023  -8.023
  521    H    CYS  72           H        CYS  72 121.584  -1.788  -1.788
  522    HA   CYS  72           HA       CYS  72 123.910  -1.353  -1.353
  523   1HB   CYS  72          2HB       CYS  72 122.990  -0.616  -0.616
  524   2HB   CYS  72          1HB       CYS  72 123.257   0.869   0.869
  525    HG   CYS  72           HG       CYS  72 125.622   0.437   0.437
  526    H    ALA  73           H        ALA  73 124.105   0.663   0.663
  527    HA   ALA  73           HA       ALA  73 121.502   1.955   1.955
  528   1HB   ALA  73          3HB       ALA  73 122.421   0.019   0.019
  529   2HB   ALA  73          2HB       ALA  73 123.587   1.214   1.214
  530   3HB   ALA  73          1HB       ALA  73 121.860   1.490   1.490
  531    H    ASP  74           H        ASP  74 122.982   3.326   3.326
  532    HA   ASP  74           HA       ASP  74 124.372   5.351   5.351
  533   1HB   ASP  74          2HB       ASP  74 122.334   5.451   5.451
  534   2HB   ASP  74          1HB       ASP  74 123.752   6.059   6.059
  535    HA   PRO  75           HA       PRO  75 128.131   4.207   4.207
  536   1HB   PRO  75          2HB       PRO  75 129.600   6.438   6.438
  537   2HB   PRO  75          1HB       PRO  75 129.237   5.154   5.154
  538   1HG   PRO  75          2HG       PRO  75 127.986   7.831   7.831
  539   2HG   PRO  75          1HG       PRO  75 128.323   6.901   6.901
  540   1HD   PRO  75          2HD       PRO  75 125.844   7.096   7.096
  541   2HD   PRO  75          1HD       PRO  75 126.362   5.761   5.761
  542    H    ALA  76           H        ALA  76 126.171   6.902   6.902
  543    HA   ALA  76           HA       ALA  76 127.802   7.963   7.963
  544   1HB   ALA  76          3HB       ALA  76 125.700   8.805   8.805
  545   2HB   ALA  76          2HB       ALA  76 124.904   8.490   8.490
  546   3HB   ALA  76          1HB       ALA  76 126.252   9.623   9.623
  547    H    THR  77           H        THR  77 124.472   6.649   6.649
  548    HA   THR  77           HA       THR  77 125.165   5.505   5.505
  549    HB   THR  77           HB       THR  77 122.369   5.407   5.407
  550    HG1  THR  77           HG1      THR  77 123.414   8.018   8.018
  551   1HG2  THR  77          2HG2      THR  77 123.942   6.978   6.978
  552   2HG2  THR  77          1HG2      THR  77 122.189   6.790   6.790
  553   3HG2  THR  77          3HG2      THR  77 123.223   5.384   5.384
  554    H    LEU  78           H        LEU  78 124.927   4.479   4.479
  555    HA   LEU  78           HA       LEU  78 124.845   2.311   2.311
  556   1HB   LEU  78          2HB       LEU  78 125.720   2.093   2.093
  557   2HB   LEU  78          1HB       LEU  78 124.758   0.681   0.681
  558    HG   LEU  78           HG       LEU  78 127.166   1.734   1.734
  559   1HD1  LEU  78          3HD1      LEU  78 126.788  -0.222  -0.222
  560   2HD1  LEU  78          2HD1      LEU  78 127.548  -0.937  -0.937
  561   3HD1  LEU  78          1HD1      LEU  78 128.281   0.464   0.464
  562   1HD2  LEU  78          3HD2      LEU  78 125.028  -0.249  -0.249
  563   2HD2  LEU  78          2HD2      LEU  78 125.952   0.809   0.809
  564   3HD2  LEU  78          1HD2      LEU  78 126.685  -0.663  -0.663
  565    H    THR  79           H        THR  79 122.332   3.751   3.751
  566    HA   THR  79           HA       THR  79 120.456   1.746   1.746
  567    HB   THR  79           HB       THR  79 119.907   4.257   4.257
  568    HG1  THR  79           HG1      THR  79 120.153   4.246   4.246
  569   1HG2  THR  79          3HG2      THR  79 118.356   2.408   2.408
  570   2HG2  THR  79          2HG2      THR  79 118.134   4.104   4.104
  571   3HG2  THR  79          1HG2      THR  79 117.805   3.559   3.559
  572    H    ARG  80           H        ARG  80 120.519  -0.106  -0.106
  573    HA   ARG  80           HA       ARG  80 120.450   0.118   0.118
  574   1HB   ARG  80          2HB       ARG  80 120.074  -2.018  -2.018
  575   2HB   ARG  80          1HB       ARG  80 119.577  -2.357  -2.357
  576   1HG   ARG  80          2HG       ARG  80 122.302  -1.201  -1.201
  577   2HG   ARG  80          1HG       ARG  80 122.023  -2.936  -2.936
  578   1HD   ARG  80          2HD       ARG  80 121.481  -3.114  -3.114
  579   2HD   ARG  80          1HD       ARG  80 121.222  -1.363  -1.363
  580    HE   ARG  80           HE       ARG  80 123.565  -1.058  -1.058
  581   1HH1  ARG  80          1HH2      ARG  80 122.760  -4.330  -4.330
  582   2HH1  ARG  80          2HH2      ARG  80 124.412  -4.842  -4.842
  583   1HH2  ARG  80          2HH1      ARG  80 125.708  -1.696  -1.696
  584   2HH2  ARG  80          1HH1      ARG  80 126.077  -3.359  -3.359
  585    HA   PRO  81           HA       PRO  81 116.199   0.796   0.796
  586   1HB   PRO  81          2HB       PRO  81 115.656  -0.998  -0.998
  587   2HB   PRO  81          1HB       PRO  81 116.626   0.471   0.471
  588   1HG   PRO  81          2HG       PRO  81 117.531  -2.333  -2.333
  589   2HG   PRO  81          1HG       PRO  81 118.133  -1.136  -1.136
  590   1HD   PRO  81          2HD       PRO  81 119.420  -1.646  -1.646
  591   2HD   PRO  81          1HD       PRO  81 119.376  -0.022  -0.022
  592    H    VAL  82           H        VAL  82 117.305  -2.388  -2.388
  593    HA   VAL  82           HA       VAL  82 114.851  -3.803  -3.803
  594    HB   VAL  82           HB       VAL  82 117.590  -3.864  -3.864
  595   1HG1  VAL  82          3HG1      VAL  82 115.928  -4.678  -4.678
  596   2HG1  VAL  82          2HG1      VAL  82 115.377  -5.877  -5.877
  597   3HG1  VAL  82          1HG1      VAL  82 117.025  -5.943  -5.943
  598   1HG2  VAL  82          3HG2      VAL  82 116.564  -4.795  -4.795
  599   2HG2  VAL  82          2HG2      VAL  82 118.074  -5.304  -5.304
  600   3HG2  VAL  82          1HG2      VAL  82 116.601  -6.234  -6.234
  601    H    HIS  83           H        HIS  83 116.380  -1.339  -1.339
  602    HA   HIS  83           HA       HIS  83 114.713  -1.830  -1.830
  603   1HB   HIS  83          2HB       HIS  83 116.495   0.482   0.482
  604   2HB   HIS  83          1HB       HIS  83 115.848   0.232   0.232
  605    HD2  HIS  83           HD2      HIS  83 117.920  -0.893  -0.893
  606    HE1  HIS  83           HE1      HIS  83 119.412  -3.521  -3.521
  607    HE2  HIS  83           HE2      HIS  83 119.645  -2.743  -2.743
  608    H    ASP  84           H        ASP  84 114.654   0.290   0.290
  609    HA   ASP  84           HA       ASP  84 112.651   2.135   2.135
  610   1HB   ASP  84          2HB       ASP  84 113.388   0.990   0.990
  611   2HB   ASP  84          1HB       ASP  84 112.337   2.391   2.391
  612    H    ALA  85           H        ALA  85 112.438  -1.021  -1.021
  613    HA   ALA  85           HA       ALA  85 109.602  -1.111  -1.111
  614   1HB   ALA  85          1HB       ALA  85 111.543  -2.626  -2.626
  615   2HB   ALA  85          3HB       ALA  85 111.349  -3.479  -3.479
  616   3HB   ALA  85          2HB       ALA  85 110.008  -3.395  -3.395
  617    H    ALA  86           H        ALA  86 111.507  -2.856  -2.856
  618    HA   ALA  86           HA       ALA  86 109.326  -3.472  -3.472
  619   1HB   ALA  86          1HB       ALA  86 111.798  -4.295  -4.295
  620   2HB   ALA  86          3HB       ALA  86 112.144  -2.913  -2.913
  621   3HB   ALA  86          2HB       ALA  86 111.042  -4.173  -4.173
  622    H    ARG  87           H        ARG  87 111.428  -0.608  -0.608
  623    HA   ARG  87           HA       ARG  87 110.932   0.713   0.713
  624   1HB   ARG  87          2HB       ARG  87 112.362   1.685   1.685
  625   2HB   ARG  87          1HB       ARG  87 111.096   1.670   1.670
  626   1HG   ARG  87          2HG       ARG  87 111.484   3.947   3.947
  627   2HG   ARG  87          1HG       ARG  87 109.847   3.383   3.383
  628   1HD   ARG  87          2HD       ARG  87 110.208   3.762   3.762
  629   2HD   ARG  87          1HD       ARG  87 111.444   2.485   2.485
  630    HE   ARG  87           HE       ARG  87 112.858   4.520   4.520
  631   1HH1  ARG  87          2HH1      ARG  87 112.810   3.761   3.761
  632   2HH1  ARG  87          1HH1      ARG  87 112.612   5.331   5.331
  633   1HH2  ARG  87          1HH2      ARG  87 111.655   6.838   6.838
  634   2HH2  ARG  87          2HH2      ARG  87 111.944   7.076   7.076
  635    H    GLU  88           H        GLU  88 108.875   1.039   1.039
  636    HA   GLU  88           HA       GLU  88 106.728   2.277   2.277
  637   1HB   GLU  88          2HB       GLU  88 107.657   2.609   2.609
  638   2HB   GLU  88          1HB       GLU  88 106.392   1.425   1.425
  639   1HG   GLU  88          2HG       GLU  88 105.076   3.128   3.128
  640   2HG   GLU  88          1HG       GLU  88 106.160   4.248   4.248
  641    H    GLY  89           H        GLY  89 107.729  -0.832  -0.832
  642   1HA   GLY  89          2HA       GLY  89 106.665  -2.863  -2.863
  643   2HA   GLY  89          1HA       GLY  89 105.177  -1.957  -1.957
  644    H    PHE  90           H        PHE  90 106.946  -1.646  -1.646
  645    HA   PHE  90           HA       PHE  90 104.585  -2.748  -2.748
  646   1HB   PHE  90          2HB       PHE  90 106.093  -0.530  -0.530
  647   2HB   PHE  90          1HB       PHE  90 106.931  -1.630  -1.630
  648    HD1  PHE  90           HD2      PHE  90 105.680  -2.750  -2.750
  649    HD2  PHE  90           HD1      PHE  90 103.879   0.264   0.264
  650    HE1  PHE  90           HE2      PHE  90 103.864  -2.471  -2.471
  651    HE2  PHE  90           HE1      PHE  90 102.067   0.541   0.541
  652    HZ   PHE  90           HZ       PHE  90 102.062  -0.824  -0.824
  653    H    LEU  91           H        LEU  91 104.753  -4.960  -4.960
  654    HA   LEU  91           HA       LEU  91 107.283  -6.364  -6.364
  655   1HB   LEU  91          2HB       LEU  91 104.724  -6.893  -6.893
  656   2HB   LEU  91          1HB       LEU  91 104.809  -7.800  -7.800
  657    HG   LEU  91           HG       LEU  91 106.768  -7.968  -7.968
  658   1HD1  LEU  91          3HD1      LEU  91 104.604  -9.752  -9.752
  659   2HD1  LEU  91          2HD1      LEU  91 105.951 -10.417 -10.417
  660   3HD1  LEU  91          1HD1      LEU  91 104.870  -9.241  -9.241
  661   1HD2  LEU  91          3HD2      LEU  91 106.738  -9.337  -9.337
  662   2HD2  LEU  91          2HD2      LEU  91 107.941  -8.185  -8.185
  663   3HD2  LEU  91          1HD2      LEU  91 107.815  -9.775  -9.775
  664    H    ASP  92           H        ASP  92 104.498  -5.706  -5.706
  665    HA   ASP  92           HA       ASP  92 105.099  -7.135  -7.135
  666   1HB   ASP  92          2HB       ASP  92 104.032  -4.371  -4.371
  667   2HB   ASP  92          1HB       ASP  92 104.205  -4.939  -4.939
  668    H    THR  93           H        THR  93 106.674  -4.210  -4.210
  669    HA   THR  93           HA       THR  93 108.314  -3.637  -3.637
  670    HB   THR  93           HB       THR  93 108.663  -3.087  -3.087
  671    HG1  THR  93           HG1      THR  93 106.903  -2.202  -2.202
  672   1HG2  THR  93          2HG2      THR  93 110.528  -2.729  -2.729
  673   2HG2  THR  93          1HG2      THR  93 109.756  -1.153  -1.153
  674   3HG2  THR  93          3HG2      THR  93 110.507  -1.880  -1.880
  675    H    LEU  94           H        LEU  94 108.821  -5.602  -5.602
  676    HA   LEU  94           HA       LEU  94 111.578  -6.225  -6.225
  677   1HB   LEU  94          2HB       LEU  94 109.270  -7.415  -7.415
  678   2HB   LEU  94          1HB       LEU  94 110.809  -8.269  -8.269
  679    HG   LEU  94           HG       LEU  94 111.573  -5.665  -5.665
  680   1HD1  LEU  94          1HD1      LEU  94 109.211  -5.043  -5.043
  681   2HD1  LEU  94          3HD1      LEU  94 109.056  -6.302  -6.302
  682   3HD1  LEU  94          2HD1      LEU  94 110.121  -4.925  -4.925
  683   1HD2  LEU  94          2HD2      LEU  94 112.215  -7.941  -7.941
  684   2HD2  LEU  94          1HD2      LEU  94 112.257  -6.522  -6.522
  685   3HD2  LEU  94          3HD2      LEU  94 110.899  -7.644  -7.644
  686    H    VAL  95           H        VAL  95 108.700  -8.284  -8.284
  687    HA   VAL  95           HA       VAL  95 109.736 -10.475 -10.475
  688    HB   VAL  95           HB       VAL  95 107.368  -8.718  -8.718
  689   1HG1  VAL  95          2HG1      VAL  95 108.206 -11.363 -11.363
  690   2HG1  VAL  95          1HG1      VAL  95 106.515 -10.862 -10.862
  691   3HG1  VAL  95          3HG1      VAL  95 107.697  -9.896  -9.896
  692   1HG2  VAL  95          1HG2      VAL  95 107.841 -11.248 -11.248
  693   2HG2  VAL  95          3HG2      VAL  95 107.146  -9.725  -9.725
  694   3HG2  VAL  95          2HG2      VAL  95 106.228 -10.775 -10.775
  695    H    VAL  96           H        VAL  96 109.002  -7.415  -7.415
  696    HA   VAL  96           HA       VAL  96 110.067  -8.133  -8.133
  697    HB   VAL  96           HB       VAL  96 110.155  -5.418  -5.418
  698   1HG1  VAL  96          1HG1      VAL  96 110.432  -6.429  -6.429
  699   2HG1  VAL  96          3HG1      VAL  96 109.561  -4.916  -4.916
  700   3HG1  VAL  96          2HG1      VAL  96 111.226  -5.067  -5.067
  701   1HG2  VAL  96          2HG2      VAL  96 107.920  -7.089  -7.089
  702   2HG2  VAL  96          1HG2      VAL  96 107.901  -5.798  -5.798
  703   3HG2  VAL  96          3HG2      VAL  96 107.910  -5.403  -5.403
  704    H    LEU  97           H        LEU  97 111.733  -6.272  -6.272
  705    HA   LEU  97           HA       LEU  97 114.296  -6.025  -6.025
  706   1HB   LEU  97          2HB       LEU  97 113.071  -6.394  -6.394
  707   2HB   LEU  97          1HB       LEU  97 114.808  -6.679  -6.679
  708    HG   LEU  97           HG       LEU  97 114.569  -4.386  -4.386
  709   1HD1  LEU  97          1HD1      LEU  97 112.515  -4.304  -4.304
  710   2HD1  LEU  97          3HD1      LEU  97 113.130  -2.875  -2.875
  711   3HD1  LEU  97          2HD1      LEU  97 112.216  -4.089  -4.089
  712   1HD2  LEU  97          2HD2      LEU  97 115.524  -5.175  -5.175
  713   2HD2  LEU  97          1HD2      LEU  97 116.186  -3.973  -3.973
  714   3HD2  LEU  97          3HD2      LEU  97 114.926  -3.516  -3.516
  715    H    HIS  98           H        HIS  98 112.972  -8.926  -8.926
  716    HA   HIS  98           HA       HIS  98 115.439 -10.457 -10.457
  717   1HB   HIS  98          2HB       HIS  98 113.683 -10.580 -10.580
  718   2HB   HIS  98          1HB       HIS  98 112.759 -11.573 -11.573
  719    HD1  HIS  98           HD1      HIS  98 113.876 -12.917 -12.917
  720    HD2  HIS  98           HD2      HIS  98 115.957 -12.759 -12.759
  721    HE1  HIS  98           HE1      HIS  98 115.556 -14.811 -14.811
  722    H    ARG  99           H        ARG  99 112.340  -9.993  -9.993
  723    HA   ARG  99           HA       ARG  99 112.250 -12.315 -12.315
  724   1HB   ARG  99          2HB       ARG  99 110.478 -10.530 -10.530
  725   2HB   ARG  99          1HB       ARG  99 111.234  -9.560  -9.560
  726   1HG   ARG  99          2HG       ARG  99 110.924 -11.526 -11.526
  727   2HG   ARG  99          1HG       ARG  99 109.943 -12.281 -12.281
  728   1HD   ARG  99          2HD       ARG  99 108.215 -10.731 -10.731
  729   2HD   ARG  99          1HD       ARG  99 109.292  -9.463  -9.463
  730    HE   ARG  99           HE       ARG  99 108.616 -10.274 -10.274
  731   1HH1  ARG  99          2HH1      ARG  99 107.291 -12.659 -12.659
  732   2HH1  ARG  99          1HH1      ARG  99 107.900 -13.987 -13.987
  733   1HH2  ARG  99          1HH2      ARG  99 110.244 -12.077 -12.077
  734   2HH2  ARG  99          2HH2      ARG  99 109.554 -13.652 -13.652
  735    H    ALA 100           H        ALA 100 114.395  -9.651  -9.651
  736    HA   ALA 100           HA       ALA 100 115.114 -10.355 -10.355
  737   1HB   ALA 100          3HB       ALA 100 113.836  -8.096  -8.096
  738   2HB   ALA 100          2HB       ALA 100 115.520  -7.581  -7.581
  739   3HB   ALA 100          1HB       ALA 100 114.869  -8.164  -8.164
  740    H    GLY 101           H        GLY 101 116.434  -8.167  -8.167
  741   1HA   GLY 101          2HA       GLY 101 118.721  -9.792  -9.792
  742   2HA   GLY 101          1HA       GLY 101 119.132  -8.577  -8.577
  743    H    ALA 102           H        ALA 102 118.752  -9.157  -9.157
  744    HA   ALA 102           HA       ALA 102 119.395  -6.337  -6.337
  745   1HB   ALA 102          2HB       ALA 102 116.818  -6.885  -6.885
  746   2HB   ALA 102          1HB       ALA 102 117.134  -7.644  -7.644
  747   3HB   ALA 102          3HB       ALA 102 117.465  -5.928  -5.928
  748    H    ARG 103           H        ARG 103 118.897  -6.676  -6.676
  749    HA   ARG 103           HA       ARG 103 120.323  -9.093  -9.093
  750   1HB   ARG 103          2HB       ARG 103 122.195  -7.912  -7.912
  751   2HB   ARG 103          1HB       ARG 103 121.597  -6.367  -6.367
  752   1HG   ARG 103          2HG       ARG 103 122.208  -6.834  -6.834
  753   2HG   ARG 103          1HG       ARG 103 122.182  -8.579  -8.579
  754   1HD   ARG 103          2HD       ARG 103 124.124  -7.702  -7.702
  755   2HD   ARG 103          1HD       ARG 103 124.396  -6.705  -6.705
  756    HE   ARG 103           HE       ARG 103 124.548  -8.775  -8.775
  757   1HH1  ARG 103          2HH1      ARG 103 123.633  -9.560  -9.560
  758   2HH1  ARG 103          1HH1      ARG 103 124.657 -10.950 -10.950
  759   1HH2  ARG 103          1HH2      ARG 103 126.206 -10.402 -10.402
  760   2HH2  ARG 103          2HH2      ARG 103 126.102 -11.434 -11.434
  761    H    LEU 104           H        LEU 104 118.885  -9.469  -9.469
  762    HA   LEU 104           HA       LEU 104 118.098  -7.222  -7.222
  763   1HB   LEU 104          2HB       LEU 104 117.153 -10.102 -10.102
  764   2HB   LEU 104          1HB       LEU 104 116.321  -8.707  -8.707
  765    HG   LEU 104           HG       LEU 104 116.834  -8.104  -8.104
  766   1HD1  LEU 104          2HD1      LEU 104 117.048 -10.694 -10.694
  767   2HD1  LEU 104          1HD1      LEU 104 115.303 -10.685 -10.685
  768   3HD1  LEU 104          3HD1      LEU 104 115.988  -9.924  -9.924
  769   1HD2  LEU 104          1HD2      LEU 104 114.828  -7.744  -7.744
  770   2HD2  LEU 104          3HD2      LEU 104 114.626  -7.503  -7.503
  771   3HD2  LEU 104          2HD2      LEU 104 114.130  -9.023  -9.023
  772    H    ASP 105           H        ASP 105 120.547  -7.391  -7.391
  773    HA   ASP 105           HA       ASP 105 120.570  -8.587  -8.587
  774   1HB   ASP 105          2HB       ASP 105 120.816 -10.518 -10.518
  775   2HB   ASP 105          1HB       ASP 105 122.462  -9.913  -9.913
  776    H    VAL 106           H        VAL 106 121.214  -6.023  -6.023
  777    HA   VAL 106           HA       VAL 106 124.187  -5.896  -5.896
  778    HB   VAL 106           HB       VAL 106 122.717  -5.005  -5.005
  779   1HG1  VAL 106          3HG1      VAL 106 121.572  -3.520  -3.520
  780   2HG1  VAL 106          2HG1      VAL 106 122.646  -2.377  -2.377
  781   3HG1  VAL 106          1HG1      VAL 106 121.400  -3.212  -3.212
  782   1HG2  VAL 106          1HG2      VAL 106 125.236  -4.465  -4.465
  783   2HG2  VAL 106          3HG2      VAL 106 124.583  -3.880  -3.880
  784   3HG2  VAL 106          2HG2      VAL 106 124.536  -2.848  -2.848
  785    H    ARG 107           H        ARG 107 124.676  -3.454  -3.454
  786    HA   ARG 107           HA       ARG 107 123.109  -3.179  -3.179
  787   1HB   ARG 107          2HB       ARG 107 125.986  -3.562  -3.562
  788   2HB   ARG 107          1HB       ARG 107 125.634  -2.280  -2.280
  789   1HG   ARG 107          2HG       ARG 107 125.089  -3.765  -3.765
  790   2HG   ARG 107          1HG       ARG 107 123.998  -4.624  -4.624
  791   1HD   ARG 107          2HD       ARG 107 125.506  -6.326  -6.326
  792   2HD   ARG 107          1HD       ARG 107 126.594  -5.256  -5.256
  793    HE   ARG 107           HE       ARG 107 127.544  -4.505  -4.505
  794   1HH1  ARG 107          1HH2      ARG 107 124.809  -6.084  -6.084
  795   2HH1  ARG 107          2HH2      ARG 107 125.581  -7.117  -7.117
  796   1HH2  ARG 107          2HH1      ARG 107 128.793  -6.309  -6.309
  797   2HH2  ARG 107          1HH1      ARG 107 127.835  -7.256  -7.256
  798    H    ASP 108           H        ASP 108 122.416  -1.131  -1.131
  799    HA   ASP 108           HA       ASP 108 122.662   0.984   0.984
  800   1HB   ASP 108          2HB       ASP 108 121.159   0.339   0.339
  801   2HB   ASP 108          1HB       ASP 108 121.936   1.880   1.880
  802    H    ALA 109           H        ALA 109 125.222   0.615   0.615
  803    HA   ALA 109           HA       ALA 109 127.302   1.588   1.588
  804   1HB   ALA 109          1HB       ALA 109 125.218   3.672   3.672
  805   2HB   ALA 109          3HB       ALA 109 126.855   4.013   4.013
  806   3HB   ALA 109          2HB       ALA 109 126.552   3.677   3.677
  807    H    TRP 110           H        TRP 110 125.562   3.100   3.100
  808    HA   TRP 110           HA       TRP 110 127.426   2.666   2.666
  809   1HB   TRP 110          2HB       TRP 110 124.399   2.527   2.527
  810   2HB   TRP 110          1HB       TRP 110 125.457   2.749   2.749
  811    HD1  TRP 110           HD1      TRP 110 127.314   4.921   4.921
  812    HE1  TRP 110           HE1      TRP 110 126.662   7.288   7.288
  813    HE3  TRP 110           HE3      TRP 110 122.764   3.921   3.921
  814    HZ2  TRP 110           HZ2      TRP 110 124.479   8.586   8.586
  815    HZ3  TRP 110           HZ3      TRP 110 121.412   5.730   5.730
  816    HH2  TRP 110           HH2      TRP 110 122.263   8.055   8.055
  817    H    GLY 111           H        GLY 111 124.498   0.663   0.663
  818   1HA   GLY 111          2HA       GLY 111 125.635  -1.864  -1.864
  819   2HA   GLY 111          1HA       GLY 111 125.771  -1.498  -1.498
  820    H    ARG 112           H        ARG 112 123.390  -1.537  -1.537
  821    HA   ARG 112           HA       ARG 112 121.369  -2.467  -2.467
  822   1HB   ARG 112          2HB       ARG 112 121.186  -0.275  -0.275
  823   2HB   ARG 112          1HB       ARG 112 119.763  -0.948  -0.948
  824   1HG   ARG 112          2HG       ARG 112 120.783  -0.381  -0.381
  825   2HG   ARG 112          1HG       ARG 112 122.125   0.391   0.391
  826   1HD   ARG 112          2HD       ARG 112 120.921   2.291   2.291
  827   2HD   ARG 112          1HD       ARG 112 119.583   1.394   1.394
  828    HE   ARG 112           HE       ARG 112 119.209   0.697   0.697
  829   1HH1  ARG 112          1HH2      ARG 112 117.716   3.056   3.056
  830   2HH1  ARG 112          2HH2      ARG 112 118.000   4.283   4.283
  831   1HH2  ARG 112          2HH1      ARG 112 120.580   2.557   2.557
  832   2HH2  ARG 112          1HH1      ARG 112 119.622   3.999   3.999
  833    H    LEU 113           H        LEU 113 119.250  -2.786  -2.786
  834    HA   LEU 113           HA       LEU 113 120.243  -4.405  -4.405
  835   1HB   LEU 113          2HB       LEU 113 119.643  -5.458  -5.458
  836   2HB   LEU 113          1HB       LEU 113 118.368  -5.990  -5.990
  837    HG   LEU 113           HG       LEU 113 120.666  -6.355  -6.355
  838   1HD1  LEU 113          2HD1      LEU 113 121.225  -6.762  -6.762
  839   2HD1  LEU 113          1HD1      LEU 113 121.962  -7.841  -7.841
  840   3HD1  LEU 113          3HD1      LEU 113 122.279  -6.107  -6.107
  841   1HD2  LEU 113          3HD2      LEU 113 118.668  -7.868  -7.868
  842   2HD2  LEU 113          2HD2      LEU 113 120.213  -8.715  -8.715
  843   3HD2  LEU 113          1HD2      LEU 113 119.384  -8.409  -8.409
  844    HA   PRO 114           HA       PRO 114 116.385  -3.254  -3.254
  845   1HB   PRO 114          2HB       PRO 114 115.669  -5.513  -5.513
  846   2HB   PRO 114          1HB       PRO 114 116.978  -4.439  -4.439
  847   1HG   PRO 114          2HG       PRO 114 117.130  -7.036  -7.036
  848   2HG   PRO 114          1HG       PRO 114 118.154  -6.409  -6.409
  849   1HD   PRO 114          2HD       PRO 114 118.900  -6.376  -6.376
  850   2HD   PRO 114          1HD       PRO 114 119.437  -5.157  -5.157
  851    H    VAL 115           H        VAL 115 116.170  -6.652  -6.652
  852    HA   VAL 115           HA       VAL 115 113.389  -6.621  -6.621
  853    HB   VAL 115           HB       VAL 115 115.086  -8.541  -8.541
  854   1HG1  VAL 115          2HG1      VAL 115 116.343  -7.414  -7.414
  855   2HG1  VAL 115          1HG1      VAL 115 115.428  -8.713  -8.713
  856   3HG1  VAL 115          3HG1      VAL 115 116.568  -9.076  -9.076
  857   1HG2  VAL 115          2HG2      VAL 115 113.061  -8.535  -8.535
  858   2HG2  VAL 115          1HG2      VAL 115 112.801  -9.014  -9.014
  859   3HG2  VAL 115          3HG2      VAL 115 113.817 -10.001 -10.001
  860    H    ASP 116           H        ASP 116 116.186  -5.483  -5.483
  861    HA   ASP 116           HA       ASP 116 115.099  -5.467  -5.467
  862   1HB   ASP 116          2HB       ASP 116 117.464  -5.139  -5.139
  863   2HB   ASP 116          1HB       ASP 116 117.118  -3.690  -3.690
  864    H    LEU 117           H        LEU 117 114.667  -3.259  -3.259
  865    HA   LEU 117           HA       LEU 117 113.393  -1.197  -1.197
  866   1HB   LEU 117          2HB       LEU 117 114.129  -1.666  -1.666
  867   2HB   LEU 117          1HB       LEU 117 112.792  -0.548  -0.548
  868    HG   LEU 117           HG       LEU 117 115.082  -0.158  -0.158
  869   1HD1  LEU 117          2HD1      LEU 117 115.386   0.126   0.126
  870   2HD1  LEU 117          1HD1      LEU 117 116.346   1.079   1.079
  871   3HD1  LEU 117          3HD1      LEU 117 116.468  -0.681  -0.681
  872   1HD2  LEU 117          3HD2      LEU 117 113.480   1.651   1.651
  873   2HD2  LEU 117          2HD2      LEU 117 113.202   1.403   1.403
  874   3HD2  LEU 117          1HD2      LEU 117 114.669   2.212   2.212
  875    H    ALA 118           H        ALA 118 112.309  -3.659  -3.659
  876    HA   ALA 118           HA       ALA 118 109.552  -3.086  -3.086
  877   1HB   ALA 118          1HB       ALA 118 111.248  -5.562  -5.562
  878   2HB   ALA 118          3HB       ALA 118 109.490  -5.719  -5.719
  879   3HB   ALA 118          2HB       ALA 118 110.299  -4.753  -4.753
  880    H    GLU 119           H        GLU 119 111.370  -5.159  -5.159
  881    HA   GLU 119           HA       GLU 119 109.135  -5.890  -5.890
  882   1HB   GLU 119          2HB       GLU 119 112.125  -5.673  -5.673
  883   2HB   GLU 119          1HB       GLU 119 111.061  -6.273  -6.273
  884   1HG   GLU 119          2HG       GLU 119 111.127  -7.439  -7.439
  885   2HG   GLU 119          1HG       GLU 119 112.088  -8.070  -8.070
  886    H    GLU 120           H        GLU 120 111.341  -3.110  -3.110
  887    HA   GLU 120           HA       GLU 120 110.361  -2.076  -2.076
  888   1HB   GLU 120          2HB       GLU 120 112.106  -1.099  -1.099
  889   2HB   GLU 120          1HB       GLU 120 111.672  -0.031  -0.031
  890   1HG   GLU 120          2HG       GLU 120 112.550  -1.743  -1.743
  891   2HG   GLU 120          1HG       GLU 120 113.085  -2.702  -2.702
  892    H    LEU 121           H        LEU 121 109.431  -1.729  -1.729
  893    HA   LEU 121           HA       LEU 121 107.659   0.563   0.563
  894   1HB   LEU 121          2HB       LEU 121 108.452  -0.740  -0.740
  895   2HB   LEU 121          1HB       LEU 121 107.510   0.743   0.743
  896    HG   LEU 121           HG       LEU 121 110.253   0.432   0.432
  897   1HD1  LEU 121          2HD1      LEU 121 110.400   0.086   0.086
  898   2HD1  LEU 121          1HD1      LEU 121 109.521   1.595   1.595
  899   3HD1  LEU 121          3HD1      LEU 121 111.124   1.623   1.623
  900   1HD2  LEU 121          2HD2      LEU 121 108.461   2.777   2.777
  901   2HD2  LEU 121          1HD2      LEU 121 108.971   2.254   2.254
  902   3HD2  LEU 121          3HD2      LEU 121 110.148   2.951   2.951
  903    H    GLY 122           H        GLY 122 107.448  -2.737  -2.737
  904   1HA   GLY 122          2HA       GLY 122 105.552  -4.115  -4.115
  905   2HA   GLY 122          1HA       GLY 122 104.545  -2.700  -2.700
  906    H    HIS 123           H        HIS 123 107.056  -4.134  -4.134
  907    HA   HIS 123           HA       HIS 123 104.970  -4.314  -4.314
  908   1HB   HIS 123          2HB       HIS 123 107.991  -4.145  -4.145
  909   2HB   HIS 123          1HB       HIS 123 107.023  -4.318  -4.318
  910    HD1  HIS 123           HD1      HIS 123 104.668  -2.443  -2.443
  911    HD2  HIS 123           HD2      HIS 123 108.713  -1.450  -1.450
  912    HE1  HIS 123           HE1      HIS 123 104.785   0.083   0.083
  913    H    ARG 124           H        ARG 124 104.702  -6.374  -6.374
  914    HA   ARG 124           HA       ARG 124 106.230  -8.657  -8.657
  915   1HB   ARG 124          2HB       ARG 124 103.255  -8.392  -8.392
  916   2HB   ARG 124          1HB       ARG 124 104.043  -9.862  -9.862
  917   1HG   ARG 124          2HG       ARG 124 104.233  -7.224  -7.224
  918   2HG   ARG 124          1HG       ARG 124 102.987  -8.425  -8.425
  919   1HD   ARG 124          2HD       ARG 124 104.521  -9.963  -9.963
  920   2HD   ARG 124          1HD       ARG 124 105.878  -9.266  -9.266
  921    HE   ARG 124           HE       ARG 124 105.164  -7.165  -7.165
  922   1HH1  ARG 124          2HH1      ARG 124 103.912  -9.465  -9.465
  923   2HH1  ARG 124          1HH1      ARG 124 105.161  -9.670  -9.670
  924   1HH2  ARG 124          1HH2      ARG 124 107.522  -7.879  -7.879
  925   2HH2  ARG 124          2HH2      ARG 124 107.205  -8.781  -8.781
  926    H    ASP 125           H        ASP 125 103.840  -7.957  -7.957
  927    HA   ASP 125           HA       ASP 125 104.297 -10.016 -10.016
  928   1HB   ASP 125          2HB       ASP 125 103.193  -7.393  -7.393
  929   2HB   ASP 125          1HB       ASP 125 104.225  -7.493  -7.493
  930    H    VAL 126           H        VAL 126 106.241  -7.045  -7.045
  931    HA   VAL 126           HA       VAL 126 108.166  -7.999  -7.999
  932    HB   VAL 126           HB       VAL 126 108.615  -5.595  -5.595
  933   1HG1  VAL 126          1HG1      VAL 126 109.387  -6.643  -6.643
  934   2HG1  VAL 126          3HG1      VAL 126 108.894  -4.953  -4.953
  935   3HG1  VAL 126          2HG1      VAL 126 110.200  -5.463  -5.463
  936   1HG2  VAL 126          2HG2      VAL 126 106.376  -5.993  -5.993
  937   2HG2  VAL 126          1HG2      VAL 126 106.321  -5.201  -5.201
  938   3HG2  VAL 126          3HG2      VAL 126 107.103  -4.401  -4.401
  939    H    ALA 127           H        ALA 127 108.282  -7.153  -7.153
  940    HA   ALA 127           HA       ALA 127 110.925  -7.839  -7.839
  941   1HB   ALA 127          2HB       ALA 127 108.398  -7.457  -7.457
  942   2HB   ALA 127          1HB       ALA 127 109.264  -8.792  -8.792
  943   3HB   ALA 127          3HB       ALA 127 110.023  -7.206  -7.206
  944    H    ARG 128           H        ARG 128 108.096 -10.027 -10.027
  945    HA   ARG 128           HA       ARG 128 109.525 -12.411 -12.411
  946   1HB   ARG 128          2HB       ARG 128 106.878 -11.614 -11.614
  947   2HB   ARG 128          1HB       ARG 128 107.363 -13.283 -13.283
  948   1HG   ARG 128          2HG       ARG 128 106.437 -13.572 -13.572
  949   2HG   ARG 128          1HG       ARG 128 108.071 -13.126 -13.126
  950   1HD   ARG 128          2HD       ARG 128 107.441 -10.991 -10.991
  951   2HD   ARG 128          1HD       ARG 128 106.069 -10.935 -10.935
  952    HE   ARG 128           HE       ARG 128 104.764 -12.005 -12.005
  953   1HH1  ARG 128          1HH2      ARG 128 106.678 -14.396 -14.396
  954   2HH1  ARG 128          2HH2      ARG 128 107.095 -14.413 -14.413
  955   1HH2  ARG 128          2HH1      ARG 128 105.929 -11.215 -11.215
  956   2HH2  ARG 128          1HH1      ARG 128 106.690 -12.615 -12.615
  957    H    TYR 129           H        TYR 129 108.099 -11.631 -11.631
  958    HA   TYR 129           HA       TYR 129 109.400 -13.553 -13.553
  959   1HB   TYR 129          2HB       TYR 129 107.699 -12.140 -12.140
  960   2HB   TYR 129          1HB       TYR 129 108.615 -10.678 -10.678
  961    HD1  TYR 129           HD1      TYR 129 108.710 -13.801 -13.801
  962    HD2  TYR 129           HD2      TYR 129 110.151  -9.790  -9.790
  963    HE1  TYR 129           HE1      TYR 129 109.825 -13.934 -13.934
  964    HE2  TYR 129           HE2      TYR 129 111.270  -9.916  -9.916
  965    HH   TYR 129           HH       TYR 129 111.192 -12.892 -12.892
  966    H    LEU 130           H        LEU 130 110.641 -10.375 -10.375
  967    HA   LEU 130           HA       LEU 130 113.082 -10.382 -10.382
  968   1HB   LEU 130          2HB       LEU 130 111.953  -9.080  -9.080
  969   2HB   LEU 130          1HB       LEU 130 113.702  -9.019  -9.019
  970    HG   LEU 130           HG       LEU 130 111.698  -8.140  -8.140
  971   1HD1  LEU 130          2HD1      LEU 130 112.936  -6.796  -6.796
  972   2HD1  LEU 130          1HD1      LEU 130 113.365  -6.010  -6.010
  973   3HD1  LEU 130          3HD1      LEU 130 111.670  -6.222  -6.222
  974   1HD2  LEU 130          3HD2      LEU 130 114.681  -8.465  -8.465
  975   2HD2  LEU 130          2HD2      LEU 130 113.541  -8.761  -8.761
  976   3HD2  LEU 130          1HD2      LEU 130 114.000  -7.111  -7.111
  977    H    ARG 131           H        ARG 131 112.532 -11.358 -11.358
  978    HA   ARG 131           HA       ARG 131 115.061 -12.217 -12.217
  979   1HB   ARG 131          2HB       ARG 131 112.416 -12.499 -12.499
  980   2HB   ARG 131          1HB       ARG 131 113.021 -14.150 -14.150
  981   1HG   ARG 131          2HG       ARG 131 114.738 -13.767 -13.767
  982   2HG   ARG 131          1HG       ARG 131 114.711 -12.020 -12.020
  983   1HD   ARG 131          2HD       ARG 131 113.676 -12.482 -12.482
  984   2HD   ARG 131          1HD       ARG 131 112.388 -12.006 -12.006
  985    HE   ARG 131           HE       ARG 131 112.973 -14.890 -14.890
  986   1HH1  ARG 131          2HH1      ARG 131 110.509 -12.762 -12.762
  987   2HH1  ARG 131          1HH1      ARG 131 109.426 -13.507 -13.507
  988   1HH2  ARG 131          1HH2      ARG 131 111.838 -15.645 -15.645
  989   2HH2  ARG 131          2HH2      ARG 131 110.179 -15.144 -15.144
  990    H    ALA 132           H        ALA 132 112.750 -13.954 -13.954
  991    HA   ALA 132           HA       ALA 132 114.284 -16.404 -16.404
  992   1HB   ALA 132          3HB       ALA 132 112.064 -15.081 -15.081
  993   2HB   ALA 132          2HB       ALA 132 112.725 -16.646 -16.646
  994   3HB   ALA 132          1HB       ALA 132 111.944 -16.456 -16.456
  995    H    ALA 133           H        ALA 133 113.886 -13.552 -13.552
  996    HA   ALA 133           HA       ALA 133 115.965 -14.450 -14.450
  997   1HB   ALA 133          3HB       ALA 133 114.042 -12.178 -12.178
  998   2HB   ALA 133          2HB       ALA 133 115.420 -11.966 -11.966
  999   3HB   ALA 133          1HB       ALA 133 114.269 -13.269 -13.269
 1000    H    ALA 134           H        ALA 134 116.077 -13.071 -13.071
 1001    HA   ALA 134           HA       ALA 134 118.533 -11.476 -11.476
 1002   1HB   ALA 134          3HB       ALA 134 116.330 -10.569 -10.569
 1003   2HB   ALA 134          2HB       ALA 134 116.975 -11.356 -11.356
 1004   3HB   ALA 134          1HB       ALA 134 117.899 -10.082 -10.082
 1005    H    GLY 135           H        GLY 135 117.310 -14.278 -14.278
 1006   1HA   GLY 135          2HA       GLY 135 119.987 -15.162 -15.162
 1007   2HA   GLY 135          1HA       GLY 135 119.056 -14.700 -14.700
 1008    H    GLY 136           H        GLY 136 118.095 -16.423 -16.423
 1009   1HA   GLY 136          2HA       GLY 136 116.300 -18.110 -18.110
 1010   2HA   GLY 136          1HA       GLY 136 116.926 -18.496 -18.496
 1011    H    THR 137           H        THR 137 119.708 -18.103 -18.103
 1012    HA   THR 137           HA       THR 137 119.772 -20.642 -20.642
 1013    HB   THR 137           HB       THR 137 121.655 -21.403 -21.403
 1014    HG1  THR 137           HG1      THR 137 121.728 -20.418 -20.418
 1015   1HG2  THR 137          1HG2      THR 137 119.067 -22.040 -22.040
 1016   2HG2  THR 137          3HG2      THR 137 119.081 -21.254 -21.254
 1017   3HG2  THR 137          2HG2      THR 137 120.124 -22.645 -22.645
 1018    H    ARG 138           H        ARG 138 122.132 -18.495 -18.495
 1019    HA   ARG 138           HA       ARG 138 123.446 -18.074 -18.074
 1020   1HB   ARG 138          2HB       ARG 138 124.434 -18.751 -18.751
 1021   2HB   ARG 138          1HB       ARG 138 125.416 -17.623 -17.623
 1022   1HG   ARG 138          2HG       ARG 138 124.445 -20.062 -20.062
 1023   2HG   ARG 138          1HG       ARG 138 125.718 -20.277 -20.277
 1024   1HD   ARG 138          2HD       ARG 138 126.166 -17.984 -17.984
 1025   2HD   ARG 138          1HD       ARG 138 126.195 -19.570 -19.570
 1026    HE   ARG 138           HE       ARG 138 127.697 -19.372 -19.372
 1027   1HH1  ARG 138          2HH1      ARG 138 128.453 -17.884 -17.884
 1028   2HH1  ARG 138          1HH1      ARG 138 129.782 -18.899 -18.899
 1029   1HH2  ARG 138          1HH2      ARG 138 129.087 -21.336 -21.336
 1030   2HH2  ARG 138          2HH2      ARG 138 130.135 -20.854 -20.854
 1031    H    GLY 139           H        GLY 139 124.374 -15.939 -15.939
 1032   1HA   GLY 139          2HA       GLY 139 124.002 -13.855 -13.855
 1033   2HA   GLY 139          1HA       GLY 139 122.876 -13.710 -13.710
 1034    H    SER 140           H        SER 140 126.301 -13.650 -13.650
 1035    HA   SER 140           HA       SER 140 126.837 -11.852 -11.852
 1036   1HB   SER 140          2HB       SER 140 126.913 -14.443 -14.443
 1037   2HB   SER 140          1HB       SER 140 128.520 -14.324 -14.324
 1038    HG   SER 140           HG       SER 140 127.437 -12.935 -12.935
 1039    H    ASN 141           H        ASN 141 128.764 -14.042 -14.042
 1040    HA   ASN 141           HA       ASN 141 130.075 -11.608 -11.608
 1041   1HB   ASN 141          2HB       ASN 141 131.277 -13.976 -13.976
 1042   2HB   ASN 141          1HB       ASN 141 132.223 -13.086 -13.086
 1043   1HD2  ASN 141          1HD2      ASN 141 131.264 -13.111 -13.111
 1044   2HD2  ASN 141          2HD2      ASN 141 131.750 -11.538 -11.538
 1045    H    HIS 142           H        HIS 142 130.401 -15.162 -15.162
 1046    HA   HIS 142           HA       HIS 142 130.592 -14.958 -14.958
 1047   1HB   HIS 142          2HB       HIS 142 131.892 -16.436 -16.436
 1048   2HB   HIS 142          1HB       HIS 142 130.512 -17.509 -17.509
 1049    HD1  HIS 142           HD1      HIS 142 133.249 -18.436 -18.436
 1050    HD2  HIS 142           HD2      HIS 142 130.545 -16.395 -16.395
 1051    HE1  HIS 142           HE1      HIS 142 133.861 -19.009 -19.009
 1052    H    ALA 143           H        ALA 143 128.154 -14.118 -14.118
 1053    HA   ALA 143           HA       ALA 143 125.938 -15.681 -15.681
 1054   1HB   ALA 143          2HB       ALA 143 126.030 -13.324 -13.324
 1055   2HB   ALA 143          1HB       ALA 143 126.302 -14.006 -14.006
 1056   3HB   ALA 143          3HB       ALA 143 124.785 -14.316 -14.316
 1057    H    ARG 144           H        ARG 144 124.809 -17.389 -17.389
 1058    HA   ARG 144           HA       ARG 144 126.259 -19.284 -19.284
 1059   1HB   ARG 144          2HB       ARG 144 124.309 -19.833 -19.833
 1060   2HB   ARG 144          1HB       ARG 144 123.278 -18.819 -18.819
 1061   1HG   ARG 144          2HG       ARG 144 123.498 -20.279 -20.279
 1062   2HG   ARG 144          1HG       ARG 144 124.842 -21.148 -21.148
 1063   1HD   ARG 144          2HD       ARG 144 123.428 -22.268 -22.268
 1064   2HD   ARG 144          1HD       ARG 144 122.110 -21.102 -21.102
 1065    HE   ARG 144           HE       ARG 144 122.988 -22.656 -22.656
 1066   1HH1  ARG 144          2HH1      ARG 144 121.221 -23.589 -23.589
 1067   2HH1  ARG 144          1HH1      ARG 144 119.703 -23.755 -23.755
 1068   1HH2  ARG 144          1HH2      ARG 144 120.787 -22.176 -22.176
 1069   2HH2  ARG 144          2HH2      ARG 144 119.454 -22.936 -22.936
 1070    H    ILE 145           H        ILE 145 125.789 -19.974 -19.974
 1071    HA   ILE 145           HA       ILE 145 126.268 -18.145 -18.145
 1072    HB   ILE 145           HB       ILE 145 126.150 -20.637 -20.637
 1073   1HG1  ILE 145          2HG1      ILE 145 124.343 -19.890 -19.890
 1074   2HG1  ILE 145          1HG1      ILE 145 125.598 -18.681 -18.681
 1075   1HG2  ILE 145          3HG2      ILE 145 123.955 -20.870 -20.870
 1076   2HG2  ILE 145          2HG2      ILE 145 123.165 -20.143 -20.143
 1077   3HG2  ILE 145          1HG2      ILE 145 123.978 -21.699 -21.699
 1078   1HD1  ILE 145          3HD1      ILE 145 127.309 -20.489 -20.489
 1079   2HD1  ILE 145          2HD1      ILE 145 126.031 -21.645 -21.645
 1080   3HD1  ILE 145          1HD1      ILE 145 126.402 -20.353 -20.353
 1081    H    ASP 146           H        ASP 146 124.991 -16.928 -16.928
 1082    HA   ASP 146           HA       ASP 146 122.184 -16.800 -16.800
 1083   1HB   ASP 146          2HB       ASP 146 123.121 -15.888 -15.888
 1084   2HB   ASP 146          1HB       ASP 146 122.888 -14.403 -14.403
 1085    H    ALA 147           H        ALA 147 123.000 -16.466 -16.466
 1086    HA   ALA 147           HA       ALA 147 123.523 -15.084 -15.084
 1087   1HB   ALA 147          1HB       ALA 147 121.831 -13.740 -13.740
 1088   2HB   ALA 147          3HB       ALA 147 123.162 -12.599 -12.599
 1089   3HB   ALA 147          2HB       ALA 147 122.286 -13.170 -13.170
 1090    H    ALA 148           H        ALA 148 124.829 -12.719 -12.719
 1091    HA   ALA 148           HA       ALA 148 126.979 -11.730 -11.730
 1092   1HB   ALA 148          1HB       ALA 148 125.936 -11.779 -11.779
 1093   2HB   ALA 148          3HB       ALA 148 127.323 -12.829 -12.829
 1094   3HB   ALA 148          2HB       ALA 148 127.564 -11.182 -11.182
 1095    H    GLU 149           H        GLU 149 129.331 -12.490 -12.490
 1096    HA   GLU 149           HA       GLU 149 130.291 -14.633 -14.633
 1097   1HB   GLU 149          2HB       GLU 149 131.244 -12.680 -12.680
 1098   2HB   GLU 149          1HB       GLU 149 131.787 -14.219 -14.219
 1099   1HG   GLU 149          2HG       GLU 149 133.378 -14.383 -14.383
 1100   2HG   GLU 149          1HG       GLU 149 132.170 -14.246 -14.246
 1101    H    GLY 150           H        GLY 150 131.781 -16.136 -16.136
 1102   1HA   GLY 150          2HA       GLY 150 130.213 -17.367 -17.367
 1103   2HA   GLY 150          1HA       GLY 150 129.927 -18.268 -18.268
 1104    HA   PRO 151           HA       PRO 151 134.162 -19.227 -19.227
 1105   1HB   PRO 151          2HB       PRO 151 133.563 -21.320 -21.320
 1106   2HB   PRO 151          1HB       PRO 151 133.601 -19.631 -19.631
 1107   1HG   PRO 151          2HG       PRO 151 131.272 -21.342 -21.342
 1108   2HG   PRO 151          1HG       PRO 151 131.442 -20.137 -20.137
 1109   1HD   PRO 151          2HD       PRO 151 130.120 -19.677 -19.677
 1110   2HD   PRO 151          1HD       PRO 151 130.885 -18.399 -18.399
 1111    H    SER 152           H        SER 152 135.321 -20.693 -20.693
 1112    HA   SER 152           HA       SER 152 134.416 -23.339 -23.339
 1113   1HB   SER 152          2HB       SER 152 132.827 -22.423 -22.423
 1114   2HB   SER 152          1HB       SER 152 133.816 -21.008 -21.008
 1115    HG   SER 152           HG       SER 152 133.921 -23.601 -23.601
 1116    H    ASP 153           H        ASP 153 136.725 -23.572 -23.572
 1117    HA   ASP 153           HA       ASP 153 138.970 -22.352 -22.352
 1118   1HB   ASP 153          2HB       ASP 153 138.289 -24.770 -24.770
 1119   2HB   ASP 153          1HB       ASP 153 139.572 -25.094 -25.094
 1120    H    ILE 154           H        ILE 154 140.213 -22.818 -22.818
 1121    HA   ILE 154           HA       ILE 154 138.894 -24.619 -24.619
 1122    HB   ILE 154           HB       ILE 154 140.261 -21.953 -21.953
 1123   1HG1  ILE 154          2HG1      ILE 154 137.385 -22.141 -22.141
 1124   2HG1  ILE 154          1HG1      ILE 154 137.757 -22.354 -22.354
 1125   1HG2  ILE 154          1HG2      ILE 154 140.081 -23.876 -23.876
 1126   2HG2  ILE 154          3HG2      ILE 154 138.383 -23.406 -23.406
 1127   3HG2  ILE 154          2HG2      ILE 154 139.641 -22.233 -22.233
 1128   1HD1  ILE 154          2HD1      ILE 154 139.169 -20.269 -20.269
 1129   2HD1  ILE 154          1HD1      ILE 154 138.555 -20.026 -20.026
 1130   3HD1  ILE 154          3HD1      ILE 154 137.447 -19.993 -19.993
 1131    HA   PRO 155           HA       PRO 155 143.325 -25.730 -25.730
 1132   1HB   PRO 155          2HB       PRO 155 142.901 -28.414 -28.414
 1133   2HB   PRO 155          1HB       PRO 155 142.793 -27.258 -27.258
 1134   1HG   PRO 155          2HG       PRO 155 140.626 -28.554 -28.554
 1135   2HG   PRO 155          1HG       PRO 155 140.682 -28.119 -28.119
 1136   1HD   PRO 155          2HD       PRO 155 139.359 -26.684 -26.684
 1137   2HD   PRO 155          1HD       PRO 155 139.894 -26.019 -26.019
 1138    H    ASP 156           HN       ASP 156 144.362 -25.827 -25.827
 1139    HA   ASP 156           HA       ASP 156 143.137 -27.433 -27.433
 1140   1HB   ASP 156          2HB       ASP 156 143.466 -25.074 -25.074
 1141   2HB   ASP 156          1HB       ASP 156 145.135 -25.147 -25.147

  Start of MODEL    5
    1   1H    MET   1          1H        MET   1 135.561  19.421  19.421
    2   2H    MET   1          3H        MET   1 136.247  18.219  18.219
    3   3H    MET   1          2H        MET   1 136.204  19.830  19.830
    4    HA   MET   1           HA       MET   1 134.010  19.757  19.757
    5   1HB   MET   1          2HB       MET   1 135.646  17.536  17.536
    6   2HB   MET   1          1HB       MET   1 134.055  16.866  16.866
    7   1HG   MET   1          2HG       MET   1 133.468  17.442  17.442
    8   2HG   MET   1          1HG       MET   1 133.484  19.115  19.115
    9   1HE   MET   1          2HE       MET   1 135.646  16.220  16.220
   10   2HE   MET   1          1HE       MET   1 135.354  16.531  16.531
   11   3HE   MET   1          3HE       MET   1 136.966  16.777  16.777
   12    H    GLU   2           H        GLU   2 132.016  19.758  19.758
   13    HA   GLU   2           HA       GLU   2 131.587  17.916  17.916
   14   1HB   GLU   2          2HB       GLU   2 131.449  20.727  20.727
   15   2HB   GLU   2          1HB       GLU   2 129.781  20.176  20.176
   16   1HG   GLU   2          2HG       GLU   2 131.113  18.688  18.688
   17   2HG   GLU   2          1HG       GLU   2 131.897  20.263  20.263
   18    HA   PRO   3           HA       PRO   3 128.272  16.143  16.143
   19   1HB   PRO   3          2HB       PRO   3 126.762  15.143  15.143
   20   2HB   PRO   3          1HB       PRO   3 128.291  14.407  14.407
   21   1HG   PRO   3          2HG       PRO   3 127.739  16.192  16.192
   22   2HG   PRO   3          1HG       PRO   3 128.811  14.788  14.788
   23   1HD   PRO   3          2HD       PRO   3 129.692  17.369  17.369
   24   2HD   PRO   3          1HD       PRO   3 130.536  16.011  16.011
   25    H    ALA   4           H        ALA   4 125.655  16.089  16.089
   26    HA   ALA   4           HA       ALA   4 124.720  18.757  18.757
   27   1HB   ALA   4          3HB       ALA   4 125.130  17.876  17.876
   28   2HB   ALA   4          2HB       ALA   4 123.415  18.186  18.186
   29   3HB   ALA   4          1HB       ALA   4 124.599  19.457  19.457
   30    H    ALA   5           H        ALA   5 123.686  17.468  17.468
   31    HA   ALA   5           HA       ALA   5 121.006  16.575  16.575
   32   1HB   ALA   5          3HB       ALA   5 123.281  14.694  14.694
   33   2HB   ALA   5          2HB       ALA   5 121.784  14.238  14.238
   34   3HB   ALA   5          1HB       ALA   5 121.794  14.504  14.504
   35    H    GLY   6           H        GLY   6 120.355  15.091  15.091
   36   1HA   GLY   6          2HA       GLY   6 121.121  16.892  16.892
   37   2HA   GLY   6          1HA       GLY   6 119.502  16.220  16.220
   38    H    SER   7           H        SER   7 120.234  15.537  15.537
   39    HA   SER   7           HA       SER   7 120.856  13.791  13.791
   40   1HB   SER   7          2HB       SER   7 119.191  12.778  12.778
   41   2HB   SER   7          1HB       SER   7 120.584  12.108  12.108
   42    HG   SER   7           HG       SER   7 121.060  10.882  10.882
   43    H    SER   8           H        SER   8 123.103  14.837  14.837
   44    HA   SER   8           HA       SER   8 125.120  12.812  12.812
   45   1HB   SER   8          2HB       SER   8 126.132  14.489  14.489
   46   2HB   SER   8          1HB       SER   8 125.276  12.987  12.987
   47    HG   SER   8           HG       SER   8 124.315  15.642  15.642
   48    H    MET   9           H        MET   9 124.363  16.269  16.269
   49    HA   MET   9           HA       MET   9 127.004  16.949  16.949
   50   1HB   MET   9          2HB       MET   9 124.459  18.585  18.585
   51   2HB   MET   9          1HB       MET   9 126.094  19.212  19.212
   52   1HG   MET   9          2HG       MET   9 125.348  17.464  17.464
   53   2HG   MET   9          1HG       MET   9 125.174  19.217  19.217
   54   1HE   MET   9          3HE       MET   9 126.905  20.858  20.858
   55   2HE   MET   9          2HE       MET   9 127.347  20.571  20.571
   56   3HE   MET   9          1HE       MET   9 128.605  20.677  20.677
   57    H    GLU  10           H        GLU  10 123.942  15.910  15.910
   58    HA   GLU  10           HA       GLU  10 124.857  15.885  15.885
   59   1HB   GLU  10          2HB       GLU  10 124.017  18.343  18.343
   60   2HB   GLU  10          1HB       GLU  10 122.530  17.694  17.694
   61   1HG   GLU  10          2HG       GLU  10 124.257  17.020  17.020
   62   2HG   GLU  10          1HG       GLU  10 125.069  18.460  18.460
   63    HA   PRO  11           HA       PRO  11 121.560  12.878  12.878
   64   1HB   PRO  11          2HB       PRO  11 122.080  11.349  11.349
   65   2HB   PRO  11          1HB       PRO  11 123.009  11.223  11.223
   66   1HG   PRO  11          2HG       PRO  11 123.694  12.649  12.649
   67   2HG   PRO  11          1HG       PRO  11 124.728  11.692  11.692
   68   1HD   PRO  11          2HD       PRO  11 124.698  14.409  14.409
   69   2HD   PRO  11          1HD       PRO  11 125.061  13.435  13.435
   70    H    SER  12           H        SER  12 120.067  14.717  14.717
   71    HA   SER  12           HA       SER  12 119.254  14.856  14.856
   72   1HB   SER  12          2HB       SER  12 119.299  17.027  17.027
   73   2HB   SER  12          1HB       SER  12 119.190  16.567  16.567
   74    HG   SER  12           HG       SER  12 117.206  17.194  17.194
   75    H    ALA  13           H        ALA  13 118.607  12.754  12.754
   76    HA   ALA  13           HA       ALA  13 115.729  12.848  12.848
   77   1HB   ALA  13          1HB       ALA  13 117.921  10.815  10.815
   78   2HB   ALA  13          3HB       ALA  13 116.229  10.386  10.386
   79   3HB   ALA  13          2HB       ALA  13 116.972  11.668  11.668
   80    H    ASP  14           H        ASP  14 115.687  13.263  13.263
   81    HA   ASP  14           HA       ASP  14 115.739  10.743  10.743
   82   1HB   ASP  14          2HB       ASP  14 115.228  12.330  12.330
   83   2HB   ASP  14          1HB       ASP  14 116.682  12.764  12.764
   84    H    TRP  15           H        TRP  15 113.649  11.630  11.630
   85    HA   TRP  15           HA       TRP  15 111.109  12.166  12.166
   86   1HB   TRP  15          2HB       TRP  15 111.916  10.060  10.060
   87   2HB   TRP  15          1HB       TRP  15 110.328  10.805  10.805
   88    HD1  TRP  15           HD1      TRP  15 112.419  13.591  13.591
   89    HE1  TRP  15           HE1      TRP  15 112.999  14.968  14.968
   90    HE3  TRP  15           HE3      TRP  15 111.146  10.237  10.237
   91    HZ2  TRP  15           HZ2      TRP  15 112.928  14.684  14.684
   92    HZ3  TRP  15           HZ3      TRP  15 111.408  10.813  10.813
   93    HH2  TRP  15           HH2      TRP  15 112.299  13.031  13.031
   94    H    LEU  16           H        LEU  16 112.732   8.972   8.972
   95    HA   LEU  16           HA       LEU  16 110.587   7.436   7.436
   96   1HB   LEU  16          2HB       LEU  16 113.534   7.100   7.100
   97   2HB   LEU  16          1HB       LEU  16 112.311   5.839   5.839
   98    HG   LEU  16           HG       LEU  16 113.528   7.406   7.406
   99   1HD1  LEU  16          2HD1      LEU  16 113.394   4.529   4.529
  100   2HD1  LEU  16          1HD1      LEU  16 113.741   4.944   4.944
  101   3HD1  LEU  16          3HD1      LEU  16 114.815   5.495   5.495
  102   1HD2  LEU  16          3HD2      LEU  16 110.991   5.756   5.756
  103   2HD2  LEU  16          2HD2      LEU  16 111.201   7.390   7.390
  104   3HD2  LEU  16          1HD2      LEU  16 111.889   6.019   6.019
  105    H    ALA  17           H        ALA  17 113.381   8.812   8.812
  106    HA   ALA  17           HA       ALA  17 112.506   8.330   8.330
  107   1HB   ALA  17          3HB       ALA  17 114.737   9.205   9.205
  108   2HB   ALA  17          2HB       ALA  17 113.995  10.802  10.802
  109   3HB   ALA  17          1HB       ALA  17 114.234   9.856   9.856
  110    H    THR  18           H        THR  18 112.085  11.327  11.327
  111    HA   THR  18           HA       THR  18 110.634  12.879  12.879
  112    HB   THR  18           HB       THR  18 109.491  13.482  13.482
  113    HG1  THR  18           HG1      THR  18 111.558  13.113  13.113
  114   1HG2  THR  18          1HG2      THR  18 111.101  14.747  14.747
  115   2HG2  THR  18          3HG2      THR  18 112.350  14.235  14.235
  116   3HG2  THR  18          2HG2      THR  18 111.015  15.245  15.245
  117    H    ALA  19           H        ALA  19 109.053  11.061  11.061
  118    HA   ALA  19           HA       ALA  19 106.419  11.214  11.214
  119   1HB   ALA  19          1HB       ALA  19 107.789   9.139   9.139
  120   2HB   ALA  19          3HB       ALA  19 106.041   9.313   9.313
  121   3HB   ALA  19          2HB       ALA  19 106.993  10.609  10.609
  122    H    ALA  20           H        ALA  20 108.754   8.497   8.497
  123    HA   ALA  20           HA       ALA  20 107.285   6.702   6.702
  124   1HB   ALA  20          2HB       ALA  20 110.231   7.435   7.435
  125   2HB   ALA  20          1HB       ALA  20 109.547   5.946   5.946
  126   3HB   ALA  20          3HB       ALA  20 109.489   6.260   6.260
  127    H    ALA  21           H        ALA  21 109.618   9.099   9.099
  128    HA   ALA  21           HA       ALA  21 109.125   8.796   8.796
  129   1HB   ALA  21          1HB       ALA  21 110.842  10.193  10.193
  130   2HB   ALA  21          3HB       ALA  21 109.600  11.443  11.443
  131   3HB   ALA  21          2HB       ALA  21 110.227  10.903  10.903
  132    H    ARG  22           H        ARG  22 107.122  10.352  10.352
  133    HA   ARG  22           HA       ARG  22 105.413  11.580  11.580
  134   1HB   ARG  22          2HB       ARG  22 106.360  12.524  12.524
  135   2HB   ARG  22          1HB       ARG  22 104.850  11.819  11.819
  136   1HG   ARG  22          2HG       ARG  22 103.906  13.773  13.773
  137   2HG   ARG  22          1HG       ARG  22 104.028  13.109  13.109
  138   1HD   ARG  22          2HD       ARG  22 105.583  14.654  14.654
  139   2HD   ARG  22          1HD       ARG  22 106.554  14.307  14.307
  140    HE   ARG  22           HE       ARG  22 104.549  16.419  16.419
  141   1HH1  ARG  22          1HH2      ARG  22 107.004  16.784  16.784
  142   2HH1  ARG  22          2HH2      ARG  22 106.431  16.622  16.622
  143   1HH2  ARG  22          2HH1      ARG  22 103.445  15.120  15.120
  144   2HH2  ARG  22          1HH1      ARG  22 104.418  15.682  15.682
  145    H    GLY  23           H        GLY  23 105.536   8.585   8.585
  146   1HA   GLY  23          2HA       GLY  23 104.027   6.817   6.817
  147   2HA   GLY  23          1HA       GLY  23 102.840   7.931   7.931
  148    H    ARG  24           H        ARG  24 104.652   8.021   8.021
  149    HA   ARG  24           HA       ARG  24 102.011   8.170   8.170
  150   1HB   ARG  24          2HB       ARG  24 104.436   9.797   9.797
  151   2HB   ARG  24          1HB       ARG  24 104.020   9.282   9.282
  152   1HG   ARG  24          2HG       ARG  24 101.695  10.113  10.113
  153   2HG   ARG  24          1HG       ARG  24 102.197  10.717  10.717
  154   1HD   ARG  24          2HD       ARG  24 103.614  12.357  12.357
  155   2HD   ARG  24          1HD       ARG  24 103.685  11.527  11.527
  156    HE   ARG  24           HE       ARG  24 100.990  12.052  12.052
  157   1HH1  ARG  24          1HH2      ARG  24 102.397  14.351  14.351
  158   2HH1  ARG  24          2HH2      ARG  24 102.311  15.621  15.621
  159   1HH2  ARG  24          2HH1      ARG  24 101.502  13.503  13.503
  160   2HH2  ARG  24          1HH1      ARG  24 101.806  15.141  15.141
  161    H    VAL  25           H        VAL  25 102.351   5.690   5.690
  162    HA   VAL  25           HA       VAL  25 104.458   4.365   4.365
  163    HB   VAL  25           HB       VAL  25 101.529   3.620   3.620
  164   1HG1  VAL  25          1HG1      VAL  25 102.811   2.223   2.223
  165   2HG1  VAL  25          3HG1      VAL  25 103.999   1.895   1.895
  166   3HG1  VAL  25          2HG1      VAL  25 102.342   1.315   1.315
  167   1HG2  VAL  25          3HG2      VAL  25 103.397   4.148   4.148
  168   2HG2  VAL  25          2HG2      VAL  25 101.899   3.234   3.234
  169   3HG2  VAL  25          1HG2      VAL  25 103.411   2.392   2.392
  170    H    GLU  26           H        GLU  26 101.153   4.971   4.971
  171    HA   GLU  26           HA       GLU  26 101.469   4.156   4.156
  172   1HB   GLU  26          2HB       GLU  26  99.992   6.564   6.564
  173   2HB   GLU  26          1HB       GLU  26  99.668   5.822   5.822
  174   1HG   GLU  26          2HG       GLU  26  99.679   3.754   3.754
  175   2HG   GLU  26          1HG       GLU  26  98.633   5.060   5.060
  176    H    GLU  27           H        GLU  27 102.532   7.225   7.225
  177    HA   GLU  27           HA       GLU  27 103.273   8.472   8.472
  178   1HB   GLU  27          2HB       GLU  27 103.223   9.034   9.034
  179   2HB   GLU  27          1HB       GLU  27 104.835   9.415   9.415
  180   1HG   GLU  27          2HG       GLU  27 103.912  11.382  11.382
  181   2HG   GLU  27          1HG       GLU  27 103.234  10.442  10.442
  182    H    VAL  28           H        VAL  28 105.013   6.525   6.525
  183    HA   VAL  28           HA       VAL  28 107.594   6.761   6.761
  184    HB   VAL  28           HB       VAL  28 106.564   4.765   4.765
  185   1HG1  VAL  28          1HG1      VAL  28 109.012   4.915   4.915
  186   2HG1  VAL  28          3HG1      VAL  28 109.338   5.594   5.594
  187   3HG1  VAL  28          2HG1      VAL  28 108.670   3.968   3.968
  188   1HG2  VAL  28          1HG2      VAL  28 106.554   7.467   7.467
  189   2HG2  VAL  28          3HG2      VAL  28 106.845   6.331   6.331
  190   3HG2  VAL  28          2HG2      VAL  28 108.204   7.097   7.097
  191    H    ARG  29           H        ARG  29 105.185   4.104   4.104
  192    HA   ARG  29           HA       ARG  29 106.339   2.050   2.050
  193   1HB   ARG  29          2HB       ARG  29 103.727   2.962   2.962
  194   2HB   ARG  29          1HB       ARG  29 103.651   2.406   2.406
  195   1HG   ARG  29          2HG       ARG  29 103.218   0.501   0.501
  196   2HG   ARG  29          1HG       ARG  29 104.835   0.299   0.299
  197   1HD   ARG  29          2HD       ARG  29 105.717   1.410   1.410
  198   2HD   ARG  29          1HD       ARG  29 104.089   1.167   1.167
  199    HE   ARG  29           HE       ARG  29 105.998  -0.885  -0.885
  200   1HH1  ARG  29          1HH2      ARG  29 103.039  -0.987  -0.987
  201   2HH1  ARG  29          2HH2      ARG  29 102.467  -2.324  -2.324
  202   1HH2  ARG  29          2HH1      ARG  29 105.186  -2.308  -2.308
  203   2HH2  ARG  29          1HH1      ARG  29 103.682  -3.072  -3.072
  204    H    ALA  30           H        ALA  30 104.626   4.868   4.868
  205    HA   ALA  30           HA       ALA  30 105.134   4.130   4.130
  206   1HB   ALA  30          1HB       ALA  30 104.060   6.436   6.436
  207   2HB   ALA  30          3HB       ALA  30 104.573   6.758   6.758
  208   3HB   ALA  30          2HB       ALA  30 103.324   5.555   5.555
  209    H    LEU  31           H        LEU  31 106.511   6.647   6.647
  210    HA   LEU  31           HA       LEU  31 108.456   7.728   7.728
  211   1HB   LEU  31          2HB       LEU  31 108.345   7.206   7.206
  212   2HB   LEU  31          1HB       LEU  31 109.669   8.113   8.113
  213    HG   LEU  31           HG       LEU  31 106.763   8.822   8.822
  214   1HD1  LEU  31          3HD1      LEU  31 108.724   9.895   9.895
  215   2HD1  LEU  31          2HD1      LEU  31 107.158  10.616  10.616
  216   3HD1  LEU  31          1HD1      LEU  31 107.246   9.005   9.005
  217   1HD2  LEU  31          1HD2      LEU  31 108.950   9.575   9.575
  218   2HD2  LEU  31          3HD2      LEU  31 107.562  10.633  10.633
  219   3HD2  LEU  31          2HD2      LEU  31 108.989  10.790  10.790
  220    H    LEU  32           H        LEU  32 109.257   5.333   5.333
  221    HA   LEU  32           HA       LEU  32 111.809   4.596   4.596
  222   1HB   LEU  32          2HB       LEU  32 110.068   3.768   3.768
  223   2HB   LEU  32          1HB       LEU  32 109.717   2.524   2.524
  224    HG   LEU  32           HG       LEU  32 111.409   1.348   1.348
  225   1HD1  LEU  32          3HD1      LEU  32 113.169   3.565   3.565
  226   2HD1  LEU  32          2HD1      LEU  32 113.718   1.966   1.966
  227   3HD1  LEU  32          1HD1      LEU  32 112.636   2.147   2.147
  228   1HD2  LEU  32          1HD2      LEU  32 111.809   3.906   3.906
  229   2HD2  LEU  32          3HD2      LEU  32 111.556   2.279   2.279
  230   3HD2  LEU  32          2HD2      LEU  32 113.144   2.752   2.752
  231    H    GLU  33           H        GLU  33 108.960   2.834   2.834
  232    HA   GLU  33           HA       GLU  33 110.536   1.442   1.442
  233   1HB   GLU  33          2HB       GLU  33 108.017   1.262   1.262
  234   2HB   GLU  33          1HB       GLU  33 107.661   1.713   1.713
  235   1HG   GLU  33          2HG       GLU  33 109.320  -0.137  -0.137
  236   2HG   GLU  33          1HG       GLU  33 109.198  -0.691  -0.691
  237    H    ALA  34           H        ALA  34 109.244   4.640   4.640
  238    HA   ALA  34           HA       ALA  34 108.893   4.896   4.896
  239   1HB   ALA  34          2HB       ALA  34 108.746   6.718   6.718
  240   2HB   ALA  34          1HB       ALA  34 108.619   7.357   7.357
  241   3HB   ALA  34          3HB       ALA  34 107.435   6.188   6.188
  242    H    GLY  35           H        GLY  35 111.580   4.922   4.922
  243   1HA   GLY  35          2HA       GLY  35 113.728   5.137   5.137
  244   2HA   GLY  35          1HA       GLY  35 113.081   6.707   6.707
  245    H    ALA  36           H        ALA  36 112.031   6.607   6.607
  246    HA   ALA  36           HA       ALA  36 113.781   8.498   8.498
  247   1HB   ALA  36          3HB       ALA  36 111.946   6.391   6.391
  248   2HB   ALA  36          2HB       ALA  36 112.879   7.410   7.410
  249   3HB   ALA  36          1HB       ALA  36 111.732   8.139   8.139
  250    H    LEU  37           H        LEU  37 115.692   8.374   8.374
  251    HA   LEU  37           HA       LEU  37 117.526   6.248   6.248
  252   1HB   LEU  37          2HB       LEU  37 117.292   8.705   8.705
  253   2HB   LEU  37          1HB       LEU  37 118.429   7.512   7.512
  254    HG   LEU  37           HG       LEU  37 119.481   7.399   7.399
  255   1HD1  LEU  37          3HD1      LEU  37 117.181   8.618   8.618
  256   2HD1  LEU  37          2HD1      LEU  37 118.289   9.986   9.986
  257   3HD1  LEU  37          1HD1      LEU  37 118.682   8.583   8.583
  258   1HD2  LEU  37          1HD2      LEU  37 119.510   9.679   9.679
  259   2HD2  LEU  37          3HD2      LEU  37 120.858   8.794   8.794
  260   3HD2  LEU  37          2HD2      LEU  37 120.080  10.090  10.090
  261    HA   PRO  38           HA       PRO  38 116.309   3.315   3.315
  262   1HB   PRO  38          2HB       PRO  38 118.672   2.007   2.007
  263   2HB   PRO  38          1HB       PRO  38 117.703   1.818   1.818
  264   1HG   PRO  38          2HG       PRO  38 120.176   3.388   3.388
  265   2HG   PRO  38          1HG       PRO  38 119.625   2.532   2.532
  266   1HD   PRO  38          2HD       PRO  38 119.468   5.268   5.268
  267   2HD   PRO  38          1HD       PRO  38 118.498   4.341   4.341
  268    H    ASN  39           H        ASN  39 119.575   4.589   4.589
  269    HA   ASN  39           HA       ASN  39 118.838   4.607   4.607
  270   1HB   ASN  39          2HB       ASN  39 121.430   5.025   5.025
  271   2HB   ASN  39          1HB       ASN  39 121.300   5.011   5.011
  272   1HD2  ASN  39          1HD2      ASN  39 120.292   2.921   2.921
  273   2HD2  ASN  39          2HD2      ASN  39 120.651   1.461   1.461
  274    H    ALA  40           H        ALA  40 120.720   6.837   6.837
  275    HA   ALA  40           HA       ALA  40 120.728   9.200   9.200
  276   1HB   ALA  40          3HB       ALA  40 117.985   8.247   8.247
  277   2HB   ALA  40          2HB       ALA  40 118.164   9.839   9.839
  278   3HB   ALA  40          1HB       ALA  40 118.613   9.591   9.591
  279    HA   PRO  41           HA       PRO  41 121.702   9.522   9.522
  280   1HB   PRO  41          2HB       PRO  41 123.675  11.399  11.399
  281   2HB   PRO  41          1HB       PRO  41 123.944   9.655   9.655
  282   1HG   PRO  41          2HG       PRO  41 123.516  11.743  11.743
  283   2HG   PRO  41          1HG       PRO  41 124.628  10.365  10.365
  284   1HD   PRO  41          2HD       PRO  41 122.287  10.351  10.351
  285   2HD   PRO  41          1HD       PRO  41 123.009   8.880   8.880
  286    H    ASN  42           H        ASN  42 120.374  10.756  10.756
  287    HA   ASN  42           HA       ASN  42 119.527  13.438  13.438
  288   1HB   ASN  42          2HB       ASN  42 117.694  13.075  13.075
  289   2HB   ASN  42          1HB       ASN  42 117.753  11.829  11.829
  290   1HD2  ASN  42          1HD2      ASN  42 117.429   9.804   9.804
  291   2HD2  ASN  42          2HD2      ASN  42 118.045   9.310   9.310
  292    H    SER  43           H        SER  43 118.782  14.633  14.633
  293    HA   SER  43           HA       SER  43 121.423  15.050  15.050
  294   1HB   SER  43          2HB       SER  43 119.696  17.025  17.025
  295   2HB   SER  43          1HB       SER  43 120.772  17.158  17.158
  296    HG   SER  43           HG       SER  43 118.026  16.513  16.513
  297    H    TYR  44           H        TYR  44 119.827  12.726  12.726
  298    HA   TYR  44           HA       TYR  44 119.039  13.513  13.513
  299   1HB   TYR  44          2HB       TYR  44 117.838  11.725  11.725
  300   2HB   TYR  44          1HB       TYR  44 117.622  11.295  11.295
  301    HD1  TYR  44           HD2      TYR  44 117.076  13.975  13.975
  302    HD2  TYR  44           HD1      TYR  44 116.169  12.536  12.536
  303    HE1  TYR  44           HE2      TYR  44 115.284  15.675  15.675
  304    HE2  TYR  44           HE1      TYR  44 114.374  14.234  14.234
  305    HH   TYR  44           HH       TYR  44 113.600  16.218  16.218
  306    H    GLY  45           H        GLY  45 121.576  12.240  12.240
  307   1HA   GLY  45          2HA       GLY  45 123.232  10.697  10.697
  308   2HA   GLY  45          1HA       GLY  45 122.585  10.821  10.821
  309    H    ARG  46           H        ARG  46 120.496   9.754   9.754
  310    HA   ARG  46           HA       ARG  46 120.988   6.898   6.898
  311   1HB   ARG  46          2HB       ARG  46 118.766   6.536   6.536
  312   2HB   ARG  46          1HB       ARG  46 119.710   7.663   7.663
  313   1HG   ARG  46          2HG       ARG  46 118.484   9.410   9.410
  314   2HG   ARG  46          1HG       ARG  46 117.259   8.142   8.142
  315   1HD   ARG  46          2HD       ARG  46 118.501   9.040   9.040
  316   2HD   ARG  46          1HD       ARG  46 117.258  10.058  10.058
  317    HE   ARG  46           HE       ARG  46 116.562   7.214   7.214
  318   1HH1  ARG  46          1HH2      ARG  46 114.792   9.761   9.761
  319   2HH1  ARG  46          2HH2      ARG  46 114.182   9.639   9.639
  320   1HH2  ARG  46          2HH1      ARG  46 116.503   7.252   7.252
  321   2HH2  ARG  46          1HH1      ARG  46 115.153   8.218   8.218
  322    H    ARG  47           H        ARG  47 120.442   5.779   5.779
  323    HA   ARG  47           HA       ARG  47 119.446   6.981   6.981
  324   1HB   ARG  47          2HB       ARG  47 120.335   4.423   4.423
  325   2HB   ARG  47          1HB       ARG  47 118.976   4.196   4.196
  326   1HG   ARG  47          2HG       ARG  47 120.366   4.486   4.486
  327   2HG   ARG  47          1HG       ARG  47 120.669   6.133   6.133
  328   1HD   ARG  47          2HD       ARG  47 122.195   4.466   4.466
  329   2HD   ARG  47          1HD       ARG  47 122.468   3.878   3.878
  330    HE   ARG  47           HE       ARG  47 122.841   6.388   6.388
  331   1HH1  ARG  47          2HH1      ARG  47 124.409   4.511   4.511
  332   2HH1  ARG  47          1HH1      ARG  47 125.194   5.819   5.819
  333   1HH2  ARG  47          1HH2      ARG  47 123.431   8.288   8.288
  334   2HH2  ARG  47          2HH2      ARG  47 124.647   7.954   7.954
  335    HA   PRO  48           HA       PRO  48 115.056   6.603   6.603
  336   1HB   PRO  48          2HB       PRO  48 114.271   4.686   4.686
  337   2HB   PRO  48          1HB       PRO  48 114.840   6.301   6.301
  338   1HG   PRO  48          2HG       PRO  48 116.336   3.718   3.718
  339   2HG   PRO  48          1HG       PRO  48 116.340   4.980   4.980
  340   1HD   PRO  48          2HD       PRO  48 118.321   4.771   4.771
  341   2HD   PRO  48          1HD       PRO  48 117.759   6.356   6.356
  342    H    ILE  49           H        ILE  49 113.134   4.779   4.779
  343    HA   ILE  49           HA       ILE  49 112.125   3.111   3.111
  344    HB   ILE  49           HB       ILE  49 114.959   2.040   2.040
  345   1HG1  ILE  49          2HG1      ILE  49 112.385   1.682   1.682
  346   2HG1  ILE  49          1HG1      ILE  49 114.010   1.936   1.936
  347   1HG2  ILE  49          2HG2      ILE  49 113.597   1.251   1.251
  348   2HG2  ILE  49          1HG2      ILE  49 112.487   0.520   0.520
  349   3HG2  ILE  49          3HG2      ILE  49 114.166  -0.014  -0.014
  350   1HD1  ILE  49          1HD1      ILE  49 114.599  -0.351  -0.351
  351   2HD1  ILE  49          3HD1      ILE  49 112.869  -0.582  -0.582
  352   3HD1  ILE  49          2HD1      ILE  49 113.505  -0.367  -0.367
  353    H    GLN  50           H        GLN  50 115.403   3.483   3.483
  354    HA   GLN  50           HA       GLN  50 114.701   3.306   3.306
  355   1HB   GLN  50          2HB       GLN  50 116.939   3.815   3.815
  356   2HB   GLN  50          1HB       GLN  50 116.612   5.443   5.443
  357   1HG   GLN  50          2HG       GLN  50 116.459   4.526   4.526
  358   2HG   GLN  50          1HG       GLN  50 116.914   2.942   2.942
  359   1HE2  GLN  50          1HE2      GLN  50 118.322   5.263   5.263
  360   2HE2  GLN  50          2HE2      GLN  50 119.874   5.295   5.295
  361    H    VAL  51           H        VAL  51 114.086   5.898   5.898
  362    HA   VAL  51           HA       VAL  51 112.802   7.499   7.499
  363    HB   VAL  51           HB       VAL  51 114.860   8.470   8.470
  364   1HG1  VAL  51          1HG1      VAL  51 113.176   8.156   8.156
  365   2HG1  VAL  51          3HG1      VAL  51 114.466   9.354   9.354
  366   3HG1  VAL  51          2HG1      VAL  51 114.840   7.640   7.640
  367   1HG2  VAL  51          1HG2      VAL  51 112.522   9.719   9.719
  368   2HG2  VAL  51          3HG2      VAL  51 113.982  10.574  10.574
  369   3HG2  VAL  51          2HG2      VAL  51 112.715  10.227  10.227
  370    H    MET  52           H        MET  52 111.567   5.325   5.325
  371    HA   MET  52           HA       MET  52 109.809   6.763   6.763
  372   1HB   MET  52          2HB       MET  52 109.077   4.483   4.483
  373   2HB   MET  52          1HB       MET  52 110.835   4.567   4.567
  374   1HG   MET  52          2HG       MET  52 110.880   2.884   2.884
  375   2HG   MET  52          1HG       MET  52 110.040   3.910   3.910
  376   1HE   MET  52          1HE       MET  52 110.290   0.794   0.794
  377   2HE   MET  52          3HE       MET  52 109.370   0.935   0.935
  378   3HE   MET  52          2HE       MET  52 108.701   0.047   0.047
  379    H    MET  53           H        MET  53 109.540   7.439   7.439
  380    HA   MET  53           HA       MET  53 107.767   7.836   7.836
  381   1HB   MET  53          2HB       MET  53 106.613   7.839   7.839
  382   2HB   MET  53          1HB       MET  53 105.992   6.268   6.268
  383   1HG   MET  53          2HG       MET  53 105.747   8.515   8.515
  384   2HG   MET  53          1HG       MET  53 104.676   8.534   8.534
  385   1HE   MET  53          1HE       MET  53 103.498   6.601   6.601
  386   2HE   MET  53          3HE       MET  53 104.399   5.140   5.140
  387   3HE   MET  53          2HE       MET  53 102.731   5.339   5.339
  388    H    MET  54           H        MET  54 108.747   4.701   4.701
  389    HA   MET  54           HA       MET  54 108.549   2.576   2.576
  390   1HB   MET  54          2HB       MET  54 108.795   4.687   4.687
  391   2HB   MET  54          1HB       MET  54 108.289   3.104   3.104
  392   1HG   MET  54          2HG       MET  54 110.797   3.449   3.449
  393   2HG   MET  54          1HG       MET  54 110.234   2.040   2.040
  394   1HE   MET  54          1HE       MET  54 110.649   1.435   1.435
  395   2HE   MET  54          3HE       MET  54 111.202   2.271   2.271
  396   3HE   MET  54          2HE       MET  54 112.346   1.866   1.866
  397    H    GLY  55           H        GLY  55 106.049   3.991   3.991
  398   1HA   GLY  55          2HA       GLY  55 104.136   2.385   2.385
  399   2HA   GLY  55          1HA       GLY  55 103.751   4.051   4.051
  400    H    SER  56           H        SER  56 105.586   2.433   2.433
  401    HA   SER  56           HA       SER  56 103.176   1.529   1.529
  402   1HB   SER  56          2HB       SER  56 105.031   3.800   3.800
  403   2HB   SER  56          1HB       SER  56 104.453   2.844   2.844
  404    HG   SER  56           HG       SER  56 102.899   4.173   4.173
  405    H    ALA  57           H        ALA  57 104.310  -0.560  -0.560
  406    HA   ALA  57           HA       ALA  57 106.894  -1.362  -1.362
  407   1HB   ALA  57          3HB       ALA  57 104.249  -2.844  -2.844
  408   2HB   ALA  57          2HB       ALA  57 105.830  -3.623  -3.623
  409   3HB   ALA  57          1HB       ALA  57 105.303  -2.735  -2.735
  410    H    ARG  58           H        ARG  58 104.076  -0.824  -0.824
  411    HA   ARG  58           HA       ARG  58 104.842  -2.158  -2.158
  412   1HB   ARG  58          2HB       ARG  58 103.393   0.477   0.477
  413   2HB   ARG  58          1HB       ARG  58 103.314  -0.490  -0.490
  414   1HG   ARG  58          2HG       ARG  58 101.594  -1.624  -1.624
  415   2HG   ARG  58          1HG       ARG  58 102.735  -2.281  -2.281
  416   1HD   ARG  58          2HD       ARG  58 101.299  -1.248  -1.248
  417   2HD   ARG  58          1HD       ARG  58 102.282   0.177   0.177
  418    HE   ARG  58           HE       ARG  58 100.523   0.958   0.958
  419   1HH1  ARG  58          2HH1      ARG  58  98.970  -0.479  -0.479
  420   2HH1  ARG  58          1HH1      ARG  58  97.751  -1.284  -1.284
  421   1HH2  ARG  58          1HH2      ARG  58  99.376  -0.821  -0.821
  422   2HH2  ARG  58          2HH2      ARG  58  97.979  -1.478  -1.478
  423    H    VAL  59           H        VAL  59 105.904   0.909   0.909
  424    HA   VAL  59           HA       VAL  59 107.231   2.049   2.049
  425    HB   VAL  59           HB       VAL  59 107.755   2.078   2.078
  426   1HG1  VAL  59          2HG1      VAL  59 109.421   3.057   3.057
  427   2HG1  VAL  59          1HG1      VAL  59 108.763   4.424   4.424
  428   3HG1  VAL  59          3HG1      VAL  59 109.679   3.177   3.177
  429   1HG2  VAL  59          1HG2      VAL  59 105.628   3.066   3.066
  430   2HG2  VAL  59          3HG2      VAL  59 106.312   3.867   3.867
  431   3HG2  VAL  59          2HG2      VAL  59 106.735   4.424   4.424
  432    H    ALA  60           H        ALA  60 108.796   0.299   0.299
  433    HA   ALA  60           HA       ALA  60 111.301  -0.178  -0.178
  434   1HB   ALA  60          3HB       ALA  60 109.536  -1.659  -1.659
  435   2HB   ALA  60          2HB       ALA  60 111.134  -2.284  -2.284
  436   3HB   ALA  60          1HB       ALA  60 110.975  -0.694  -0.694
  437    H    GLU  61           H        GLU  61 108.300  -2.078  -2.078
  438    HA   GLU  61           HA       GLU  61 109.265  -4.336  -4.336
  439   1HB   GLU  61          2HB       GLU  61 106.804  -3.050  -3.050
  440   2HB   GLU  61          1HB       GLU  61 106.816  -3.335  -3.335
  441   1HG   GLU  61          2HG       GLU  61 106.572  -5.569  -5.569
  442   2HG   GLU  61          1HG       GLU  61 107.830  -5.634  -5.634
  443    H    LEU  62           H        LEU  62 108.642  -1.075  -1.075
  444    HA   LEU  62           HA       LEU  62 109.395  -1.831  -1.831
  445   1HB   LEU  62          2HB       LEU  62 107.564  -0.358  -0.358
  446   2HB   LEU  62          1HB       LEU  62 108.335   0.563   0.563
  447    HG   LEU  62           HG       LEU  62 110.130   1.083   1.083
  448   1HD1  LEU  62          1HD1      LEU  62 108.328  -0.514  -0.514
  449   2HD1  LEU  62          3HD1      LEU  62 108.207   1.134   1.134
  450   3HD1  LEU  62          2HD1      LEU  62 109.770   0.322   0.322
  451   1HD2  LEU  62          3HD2      LEU  62 107.523   2.266   2.266
  452   2HD2  LEU  62          2HD2      LEU  62 109.103   3.034   3.034
  453   3HD2  LEU  62          1HD2      LEU  62 108.152   2.748   2.748
  454    H    LEU  63           H        LEU  63 110.555   0.230   0.230
  455    HA   LEU  63           HA       LEU  63 112.907   1.209   1.209
  456   1HB   LEU  63          2HB       LEU  63 111.720   1.059   1.059
  457   2HB   LEU  63          1HB       LEU  63 113.481   1.164   1.164
  458    HG   LEU  63           HG       LEU  63 111.946   2.993   2.993
  459   1HD1  LEU  63          2HD1      LEU  63 111.556   2.888   2.888
  460   2HD1  LEU  63          1HD1      LEU  63 112.404   4.376   4.376
  461   3HD1  LEU  63          3HD1      LEU  63 110.853   4.006   4.006
  462   1HD2  LEU  63          3HD2      LEU  63 114.524   3.096   3.096
  463   2HD2  LEU  63          2HD2      LEU  63 114.340   3.058   3.058
  464   3HD2  LEU  63          1HD2      LEU  63 113.869   4.497   4.497
  465    H    LEU  64           H        LEU  64 112.574  -1.419  -1.419
  466    HA   LEU  64           HA       LEU  64 115.245  -2.389  -2.389
  467   1HB   LEU  64          2HB       LEU  64 112.889  -2.957  -2.957
  468   2HB   LEU  64          1HB       LEU  64 113.183  -4.427  -4.427
  469    HG   LEU  64           HG       LEU  64 115.549  -3.241  -3.241
  470   1HD1  LEU  64          3HD1      LEU  64 113.108  -4.176  -4.176
  471   2HD1  LEU  64          2HD1      LEU  64 114.673  -4.669  -4.669
  472   3HD1  LEU  64          1HD1      LEU  64 114.289  -2.956  -2.956
  473   1HD2  LEU  64          2HD2      LEU  64 114.505  -5.861  -5.861
  474   2HD2  LEU  64          1HD2      LEU  64 116.167  -5.277  -5.277
  475   3HD2  LEU  64          3HD2      LEU  64 115.398  -5.906  -5.906
  476    H    LEU  65           H        LEU  65 112.294  -3.457  -3.457
  477    HA   LEU  65           HA       LEU  65 113.362  -5.535  -5.535
  478   1HB   LEU  65          2HB       LEU  65 111.033  -5.175  -5.175
  479   2HB   LEU  65          1HB       LEU  65 111.217  -3.449  -3.449
  480    HG   LEU  65           HG       LEU  65 112.331  -4.334  -4.334
  481   1HD1  LEU  65          2HD1      LEU  65 111.841  -6.736  -6.736
  482   2HD1  LEU  65          1HD1      LEU  65 110.206  -6.416  -6.416
  483   3HD1  LEU  65          3HD1      LEU  65 111.555  -6.397  -6.397
  484   1HD2  LEU  65          3HD2      LEU  65 109.870  -3.230  -3.230
  485   2HD2  LEU  65          2HD2      LEU  65 110.513  -3.313  -3.313
  486   3HD2  LEU  65          1HD2      LEU  65 109.443  -4.584  -4.584
  487    H    HIS  66           H        HIS  66 113.744  -2.056  -2.056
  488    HA   HIS  66           HA       HIS  66 115.027  -2.274  -2.274
  489   1HB   HIS  66          2HB       HIS  66 113.725  -0.315  -0.315
  490   2HB   HIS  66          1HB       HIS  66 115.153   0.312   0.312
  491    HD1  HIS  66           HD1      HIS  66 115.055   0.658   0.658
  492    HD2  HIS  66           HD2      HIS  66 111.639  -1.173  -1.173
  493    HE1  HIS  66           HE1      HIS  66 113.343   0.639   0.639
  494    H    GLY  67           H        GLY  67 115.844  -1.365  -1.365
  495   1HA   GLY  67          2HA       GLY  67 118.249  -2.371  -2.371
  496   2HA   GLY  67          1HA       GLY  67 118.672  -1.147  -1.147
  497    H    ALA  68           H        ALA  68 116.360  -1.011  -1.011
  498    HA   ALA  68           HA       ALA  68 117.161   1.662   1.662
  499   1HB   ALA  68          3HB       ALA  68 115.145  -0.186  -0.186
  500   2HB   ALA  68          2HB       ALA  68 115.982   0.031   0.031
  501   3HB   ALA  68          1HB       ALA  68 115.306   1.425   1.425
  502    H    GLU  69           H        GLU  69 117.373   1.115   1.115
  503    HA   GLU  69           HA       GLU  69 120.189   0.084   0.084
  504   1HB   GLU  69          2HB       GLU  69 120.498   1.683   1.683
  505   2HB   GLU  69          1HB       GLU  69 119.955   2.490   2.490
  506   1HG   GLU  69          2HG       GLU  69 117.851   2.935   2.935
  507   2HG   GLU  69          1HG       GLU  69 117.871   1.525   1.525
  508    HA   PRO  70           HA       PRO  70 117.384  -2.412  -2.412
  509   1HB   PRO  70          2HB       PRO  70 117.761  -4.843  -4.843
  510   2HB   PRO  70          1HB       PRO  70 116.432  -3.745  -3.745
  511   1HG   PRO  70          2HG       PRO  70 119.036  -4.171  -4.171
  512   2HG   PRO  70          1HG       PRO  70 117.416  -3.952  -3.952
  513   1HD   PRO  70          2HD       PRO  70 119.229  -1.953  -1.953
  514   2HD   PRO  70          1HD       PRO  70 117.480  -1.666  -1.666
  515    H    ASN  71           H        ASN  71 120.577  -2.460  -2.460
  516    HA   ASN  71           HA       ASN  71 121.547  -4.214  -4.214
  517   1HB   ASN  71          2HB       ASN  71 122.296  -3.673  -3.673
  518   2HB   ASN  71          1HB       ASN  71 123.647  -3.898  -3.898
  519   1HD2  ASN  71          1HD2      ASN  71 120.402  -5.448  -5.448
  520   2HD2  ASN  71          2HD2      ASN  71 120.991  -7.035  -7.035
  521    H    CYS  72           H        CYS  72 123.236  -1.697  -1.697
  522    HA   CYS  72           HA       CYS  72 124.886  -0.664  -0.664
  523   1HB   CYS  72          2HB       CYS  72 123.668   0.216   0.216
  524   2HB   CYS  72          1HB       CYS  72 123.977   1.577   1.577
  525    HG   CYS  72           HG       CYS  72 126.508   0.649   0.649
  526    H    ALA  73           H        ALA  73 124.717   0.860   0.860
  527    HA   ALA  73           HA       ALA  73 121.951   1.800   1.800
  528   1HB   ALA  73          3HB       ALA  73 122.994  -0.212  -0.212
  529   2HB   ALA  73          2HB       ALA  73 124.069   0.980   0.980
  530   3HB   ALA  73          1HB       ALA  73 122.325   1.098   1.098
  531    H    ASP  74           H        ASP  74 123.266   3.013   3.013
  532    HA   ASP  74           HA       ASP  74 124.451   5.405   5.405
  533   1HB   ASP  74          2HB       ASP  74 122.710   4.939   4.939
  534   2HB   ASP  74          1HB       ASP  74 123.660   6.418   6.418
  535    HA   PRO  75           HA       PRO  75 128.154   4.288   4.288
  536   1HB   PRO  75          2HB       PRO  75 129.529   6.632   6.632
  537   2HB   PRO  75          1HB       PRO  75 129.357   5.399   5.399
  538   1HG   PRO  75          2HG       PRO  75 127.849   7.940   7.940
  539   2HG   PRO  75          1HG       PRO  75 128.447   7.196   7.196
  540   1HD   PRO  75          2HD       PRO  75 125.854   7.051   7.051
  541   2HD   PRO  75          1HD       PRO  75 126.650   5.777   5.777
  542    H    ALA  76           H        ALA  76 126.100   7.021   7.021
  543    HA   ALA  76           HA       ALA  76 127.338   8.126   8.126
  544   1HB   ALA  76          2HB       ALA  76 124.710   8.027   8.027
  545   2HB   ALA  76          1HB       ALA  76 124.585   8.172   8.172
  546   3HB   ALA  76          3HB       ALA  76 125.490   9.372   9.372
  547    H    THR  77           H        THR  77 124.452   6.043   6.043
  548    HA   THR  77           HA       THR  77 125.828   4.584   4.584
  549    HB   THR  77           HB       THR  77 123.641   4.514   4.514
  550    HG1  THR  77           HG1      THR  77 122.836   5.396   5.396
  551   1HG2  THR  77          1HG2      THR  77 125.249   6.651   6.651
  552   2HG2  THR  77          3HG2      THR  77 123.802   7.371   7.371
  553   3HG2  THR  77          2HG2      THR  77 123.738   6.662   6.662
  554    H    LEU  78           H        LEU  78 125.763   3.815   3.815
  555    HA   LEU  78           HA       LEU  78 125.221   1.974   1.974
  556   1HB   LEU  78          2HB       LEU  78 125.493   1.070   1.070
  557   2HB   LEU  78          1HB       LEU  78 124.800  -0.092  -0.092
  558    HG   LEU  78           HG       LEU  78 127.481   1.303   1.303
  559   1HD1  LEU  78          2HD1      LEU  78 127.232  -0.665  -0.665
  560   2HD1  LEU  78          1HD1      LEU  78 126.798  -1.643  -1.643
  561   3HD1  LEU  78          3HD1      LEU  78 128.398  -0.910  -0.910
  562   1HD2  LEU  78          3HD2      LEU  78 125.731   0.164   0.164
  563   2HD2  LEU  78          2HD2      LEU  78 127.268   1.004   1.004
  564   3HD2  LEU  78          1HD2      LEU  78 127.247  -0.733  -0.733
  565    H    THR  79           H        THR  79 122.935   3.680   3.680
  566    HA   THR  79           HA       THR  79 120.670   2.099   2.099
  567    HB   THR  79           HB       THR  79 120.191   4.340   4.340
  568    HG1  THR  79           HG1      THR  79 121.599   5.659   5.659
  569   1HG2  THR  79          1HG2      THR  79 119.044   3.162   3.162
  570   2HG2  THR  79          3HG2      THR  79 119.511   4.797   4.797
  571   3HG2  THR  79          2HG2      THR  79 118.437   4.543   4.543
  572    H    ARG  80           H        ARG  80 120.369   0.193   0.193
  573    HA   ARG  80           HA       ARG  80 120.570   0.213   0.213
  574   1HB   ARG  80          2HB       ARG  80 120.575  -1.682  -1.682
  575   2HB   ARG  80          1HB       ARG  80 119.408  -2.184  -2.184
  576   1HG   ARG  80          2HG       ARG  80 121.476  -1.441  -1.441
  577   2HG   ARG  80          1HG       ARG  80 122.361  -1.988  -1.988
  578   1HD   ARG  80          2HD       ARG  80 121.695  -4.187  -4.187
  579   2HD   ARG  80          1HD       ARG  80 120.136  -3.732  -3.732
  580    HE   ARG  80           HE       ARG  80 121.239  -3.411  -3.411
  581   1HH1  ARG  80          2HH1      ARG  80 123.734  -2.816  -2.816
  582   2HH1  ARG  80          1HH1      ARG  80 124.910  -3.793  -3.793
  583   1HH2  ARG  80          1HH2      ARG  80 122.608  -5.286  -5.286
  584   2HH2  ARG  80          2HH2      ARG  80 124.273  -5.193  -5.193
  585    HA   PRO  81           HA       PRO  81 116.276   0.652   0.652
  586   1HB   PRO  81          2HB       PRO  81 115.793  -1.226  -1.226
  587   2HB   PRO  81          1HB       PRO  81 116.751   0.234   0.234
  588   1HG   PRO  81          2HG       PRO  81 117.647  -2.555  -2.555
  589   2HG   PRO  81          1HG       PRO  81 118.337  -1.300  -1.300
  590   1HD   PRO  81          2HD       PRO  81 119.327  -2.036  -2.036
  591   2HD   PRO  81          1HD       PRO  81 119.652  -0.487  -0.487
  592    H    VAL  82           H        VAL  82 117.444  -2.314  -2.314
  593    HA   VAL  82           HA       VAL  82 114.979  -3.818  -3.818
  594    HB   VAL  82           HB       VAL  82 117.430  -3.890  -3.890
  595   1HG1  VAL  82          3HG1      VAL  82 115.011  -5.527  -5.527
  596   2HG1  VAL  82          2HG1      VAL  82 116.498  -6.468  -6.468
  597   3HG1  VAL  82          1HG1      VAL  82 116.189  -5.473  -5.473
  598   1HG2  VAL  82          2HG2      VAL  82 117.655  -4.088  -4.088
  599   2HG2  VAL  82          1HG2      VAL  82 118.541  -5.181  -5.181
  600   3HG2  VAL  82          3HG2      VAL  82 117.048  -5.715  -5.715
  601    H    HIS  83           H        HIS  83 116.461  -1.329  -1.329
  602    HA   HIS  83           HA       HIS  83 114.741  -1.732  -1.732
  603   1HB   HIS  83          2HB       HIS  83 116.359   0.649   0.649
  604   2HB   HIS  83          1HB       HIS  83 115.683   0.479   0.479
  605    HD2  HIS  83           HD2      HIS  83 117.535  -0.656  -0.656
  606    HE1  HIS  83           HE1      HIS  83 119.692  -2.896  -2.896
  607    HE2  HIS  83           HE2      HIS  83 119.507  -2.278  -2.278
  608    H    ASP  84           H        ASP  84 114.810   0.556   0.556
  609    HA   ASP  84           HA       ASP  84 112.620   2.193   2.193
  610   1HB   ASP  84          2HB       ASP  84 113.804   0.930   0.930
  611   2HB   ASP  84          1HB       ASP  84 112.434   2.028   2.028
  612    H    ALA  85           H        ALA  85 112.523  -1.031  -1.031
  613    HA   ALA  85           HA       ALA  85 109.709  -1.123  -1.123
  614   1HB   ALA  85          3HB       ALA  85 111.734  -2.634  -2.634
  615   2HB   ALA  85          2HB       ALA  85 111.364  -3.527  -3.527
  616   3HB   ALA  85          1HB       ALA  85 110.147  -3.374  -3.374
  617    H    ALA  86           H        ALA  86 111.548  -2.731  -2.731
  618    HA   ALA  86           HA       ALA  86 109.288  -3.436  -3.436
  619   1HB   ALA  86          3HB       ALA  86 112.087  -3.685  -3.685
  620   2HB   ALA  86          2HB       ALA  86 111.688  -2.834  -2.834
  621   3HB   ALA  86          1HB       ALA  86 110.955  -4.399  -4.399
  622    H    ARG  87           H        ARG  87 111.533  -0.665  -0.665
  623    HA   ARG  87           HA       ARG  87 110.541   0.662   0.662
  624   1HB   ARG  87          2HB       ARG  87 112.338   1.686   1.686
  625   2HB   ARG  87          1HB       ARG  87 111.662   1.471   1.471
  626   1HG   ARG  87          2HG       ARG  87 111.688   3.859   3.859
  627   2HG   ARG  87          1HG       ARG  87 110.056   3.272   3.272
  628   1HD   ARG  87          2HD       ARG  87 109.469   3.888   3.888
  629   2HD   ARG  87          1HD       ARG  87 110.650   2.734   2.734
  630    HE   ARG  87           HE       ARG  87 112.277   4.499   4.499
  631   1HH1  ARG  87          2HH1      ARG  87 109.785   5.977   5.977
  632   2HH1  ARG  87          1HH1      ARG  87 109.891   7.437   7.437
  633   1HH2  ARG  87          1HH2      ARG  87 112.201   6.158   6.158
  634   2HH2  ARG  87          2HH2      ARG  87 111.258   7.540   7.540
  635    H    GLU  88           H        GLU  88 108.938   0.412   0.412
  636    HA   GLU  88           HA       GLU  88 106.758   2.217   2.217
  637   1HB   GLU  88          2HB       GLU  88 108.114   2.048   2.048
  638   2HB   GLU  88          1HB       GLU  88 106.729   1.018   1.018
  639   1HG   GLU  88          2HG       GLU  88 106.242   3.656   3.656
  640   2HG   GLU  88          1HG       GLU  88 106.598   3.637   3.637
  641    H    GLY  89           H        GLY  89 107.503  -1.131  -1.131
  642   1HA   GLY  89          2HA       GLY  89 106.172  -2.964  -2.964
  643   2HA   GLY  89          1HA       GLY  89 104.791  -1.873  -1.873
  644    H    PHE  90           H        PHE  90 106.718  -1.812  -1.812
  645    HA   PHE  90           HA       PHE  90 104.390  -2.833  -2.833
  646   1HB   PHE  90          2HB       PHE  90 106.138  -0.705  -0.705
  647   2HB   PHE  90          1HB       PHE  90 106.767  -1.857  -1.857
  648    HD1  PHE  90           HD1      PHE  90 105.066  -2.955  -2.955
  649    HD2  PHE  90           HD2      PHE  90 104.251   0.594   0.594
  650    HE1  PHE  90           HE1      PHE  90 103.224  -2.383  -2.383
  651    HE2  PHE  90           HE2      PHE  90 102.411   1.169   1.169
  652    HZ   PHE  90           HZ       PHE  90 101.904  -0.317  -0.317
  653    H    LEU  91           H        LEU  91 104.780  -5.141  -5.141
  654    HA   LEU  91           HA       LEU  91 107.212  -6.540  -6.540
  655   1HB   LEU  91          2HB       LEU  91 104.416  -7.078  -7.078
  656   2HB   LEU  91          1HB       LEU  91 105.036  -8.211  -8.211
  657    HG   LEU  91           HG       LEU  91 106.678  -7.631  -7.631
  658   1HD1  LEU  91          3HD1      LEU  91 104.102  -9.125  -9.125
  659   2HD1  LEU  91          2HD1      LEU  91 105.406  -9.841  -9.841
  660   3HD1  LEU  91          1HD1      LEU  91 104.813  -8.228  -8.228
  661   1HD2  LEU  91          3HD2      LEU  91 107.454  -9.021  -9.021
  662   2HD2  LEU  91          2HD2      LEU  91 107.552  -9.822  -9.822
  663   3HD2  LEU  91          1HD2      LEU  91 106.231 -10.205 -10.205
  664    H    ASP  92           H        ASP  92 104.545  -5.676  -5.676
  665    HA   ASP  92           HA       ASP  92 105.209  -7.146  -7.146
  666   1HB   ASP  92          2HB       ASP  92 104.075  -4.404  -4.404
  667   2HB   ASP  92          1HB       ASP  92 104.305  -4.970  -4.970
  668    H    THR  93           H        THR  93 106.681  -4.160  -4.160
  669    HA   THR  93           HA       THR  93 108.380  -3.602  -3.602
  670    HB   THR  93           HB       THR  93 108.647  -3.077  -3.077
  671    HG1  THR  93           HG1      THR  93 106.880  -2.208  -2.208
  672   1HG2  THR  93          1HG2      THR  93 110.099  -1.824  -1.824
  673   2HG2  THR  93          3HG2      THR  93 110.201  -1.270  -1.270
  674   3HG2  THR  93          2HG2      THR  93 110.818  -2.862  -2.862
  675    H    LEU  94           H        LEU  94 108.972  -5.427  -5.427
  676    HA   LEU  94           HA       LEU  94 111.654  -6.220  -6.220
  677   1HB   LEU  94          2HB       LEU  94 109.392  -7.407  -7.407
  678   2HB   LEU  94          1HB       LEU  94 111.019  -8.083  -8.083
  679    HG   LEU  94           HG       LEU  94 111.423  -5.341  -5.341
  680   1HD1  LEU  94          2HD1      LEU  94 109.080  -6.311  -6.311
  681   2HD1  LEU  94          1HD1      LEU  94 109.958  -4.804  -4.804
  682   3HD1  LEU  94          3HD1      LEU  94 109.031  -5.036  -5.036
  683   1HD2  LEU  94          3HD2      LEU  94 111.972  -7.794  -7.794
  684   2HD2  LEU  94          2HD2      LEU  94 112.711  -6.225  -6.225
  685   3HD2  LEU  94          1HD2      LEU  94 111.283  -6.726  -6.726
  686    H    VAL  95           H        VAL  95 108.528  -7.812  -7.812
  687    HA   VAL  95           HA       VAL  95 109.401 -10.241 -10.241
  688    HB   VAL  95           HB       VAL  95 107.184  -8.351  -8.351
  689   1HG1  VAL  95          1HG1      VAL  95 108.043 -10.662 -10.662
  690   2HG1  VAL  95          3HG1      VAL  95 106.701 -11.220 -11.220
  691   3HG1  VAL  95          2HG1      VAL  95 106.454  -9.914  -9.914
  692   1HG2  VAL  95          1HG2      VAL  95 107.562  -9.542  -9.542
  693   2HG2  VAL  95          3HG2      VAL  95 105.990  -9.089  -9.089
  694   3HG2  VAL  95          2HG2      VAL  95 106.575 -10.745 -10.745
  695    H    VAL  96           H        VAL  96 108.991  -7.088  -7.088
  696    HA   VAL  96           HA       VAL  96 109.892  -7.865  -7.865
  697    HB   VAL  96           HB       VAL  96 109.922  -5.292  -5.292
  698   1HG1  VAL  96          1HG1      VAL  96 111.172  -5.888  -5.888
  699   2HG1  VAL  96          3HG1      VAL  96 109.992  -4.582  -4.582
  700   3HG1  VAL  96          2HG1      VAL  96 111.333  -4.466  -4.466
  701   1HG2  VAL  96          3HG2      VAL  96 108.156  -6.376  -6.376
  702   2HG2  VAL  96          2HG2      VAL  96 107.708  -6.154  -6.154
  703   3HG2  VAL  96          1HG2      VAL  96 108.023  -4.751  -4.751
  704    H    LEU  97           H        LEU  97 111.646  -6.445  -6.445
  705    HA   LEU  97           HA       LEU  97 114.249  -6.322  -6.322
  706   1HB   LEU  97          2HB       LEU  97 112.905  -6.435  -6.435
  707   2HB   LEU  97          1HB       LEU  97 114.578  -6.987  -6.987
  708    HG   LEU  97           HG       LEU  97 115.028  -4.827  -4.827
  709   1HD1  LEU  97          2HD1      LEU  97 112.336  -4.309  -4.309
  710   2HD1  LEU  97          1HD1      LEU  97 113.432  -2.997  -2.997
  711   3HD1  LEU  97          3HD1      LEU  97 112.814  -4.075  -4.075
  712   1HD2  LEU  97          2HD2      LEU  97 114.652  -5.218  -5.218
  713   2HD2  LEU  97          1HD2      LEU  97 116.097  -4.742  -4.742
  714   3HD2  LEU  97          3HD2      LEU  97 114.841  -3.553  -3.553
  715    H    HIS  98           H        HIS  98 112.583  -9.061  -9.061
  716    HA   HIS  98           HA       HIS  98 114.912 -10.831 -10.831
  717   1HB   HIS  98          2HB       HIS  98 112.915 -10.684 -10.684
  718   2HB   HIS  98          1HB       HIS  98 112.111 -11.737 -11.737
  719    HD1  HIS  98           HD1      HIS  98 113.796 -12.154 -12.154
  720    HD2  HIS  98           HD2      HIS  98 114.426 -13.822 -13.822
  721    HE1  HIS  98           HE1      HIS  98 115.160 -14.256 -14.256
  722    H    ARG  99           H        ARG  99 111.862 -10.243 -10.243
  723    HA   ARG  99           HA       ARG  99 111.873 -12.562 -12.562
  724   1HB   ARG  99          2HB       ARG  99 109.863 -11.313 -11.313
  725   2HB   ARG  99          1HB       ARG  99 110.658  -9.799  -9.799
  726   1HG   ARG  99          2HG       ARG  99 110.959 -10.625 -10.625
  727   2HG   ARG  99          1HG       ARG  99 110.136 -12.123 -12.123
  728   1HD   ARG  99          2HD       ARG  99 108.058 -11.024 -11.024
  729   2HD   ARG  99          1HD       ARG  99 108.825  -9.426  -9.426
  730    HE   ARG  99           HE       ARG  99 109.537  -9.949  -9.949
  731   1HH1  ARG  99          1HH2      ARG  99 106.568  -9.179  -9.179
  732   2HH1  ARG  99          2HH2      ARG  99 105.721 -10.191 -10.191
  733   1HH2  ARG  99          2HH1      ARG  99 108.511 -12.100 -12.100
  734   2HH2  ARG  99          1HH1      ARG  99 106.824 -11.848 -11.848
  735    H    ALA 100           H        ALA 100 113.892  -9.824  -9.824
  736    HA   ALA 100           HA       ALA 100 114.692 -10.355 -10.355
  737   1HB   ALA 100          1HB       ALA 100 114.218  -7.948  -7.948
  738   2HB   ALA 100          3HB       ALA 100 115.580  -7.861  -7.861
  739   3HB   ALA 100          2HB       ALA 100 113.958  -8.192  -8.192
  740    H    GLY 101           H        GLY 101 116.391  -8.458  -8.458
  741   1HA   GLY 101          2HA       GLY 101 118.300 -10.478 -10.478
  742   2HA   GLY 101          1HA       GLY 101 118.933  -9.475  -9.475
  743    H    ALA 102           H        ALA 102 117.057  -8.817  -8.817
  744    HA   ALA 102           HA       ALA 102 118.884  -6.503  -6.503
  745   1HB   ALA 102          1HB       ALA 102 116.299  -6.393  -6.393
  746   2HB   ALA 102          3HB       ALA 102 116.263  -7.112  -7.112
  747   3HB   ALA 102          2HB       ALA 102 117.031  -5.544  -5.544
  748    H    ARG 103           H        ARG 103 120.408  -6.814  -6.814
  749    HA   ARG 103           HA       ARG 103 120.686  -9.130  -9.130
  750   1HB   ARG 103          2HB       ARG 103 122.354  -7.279  -7.279
  751   2HB   ARG 103          1HB       ARG 103 121.530  -6.304  -6.304
  752   1HG   ARG 103          2HG       ARG 103 122.312  -7.577  -7.577
  753   2HG   ARG 103          1HG       ARG 103 122.350  -9.061  -9.061
  754   1HD   ARG 103          2HD       ARG 103 124.436  -8.548  -8.548
  755   2HD   ARG 103          1HD       ARG 103 124.260  -6.811  -6.811
  756    HE   ARG 103           HE       ARG 103 124.465  -7.391  -7.391
  757   1HH1  ARG 103          2HH1      ARG 103 124.482 -10.368 -10.368
  758   2HH1  ARG 103          1HH1      ARG 103 126.065 -10.840 -10.840
  759   1HH2  ARG 103          1HH2      ARG 103 126.976  -7.644  -7.644
  760   2HH2  ARG 103          2HH2      ARG 103 127.478  -9.297  -9.297
  761    H    LEU 104           H        LEU 104 120.383  -9.299  -9.299
  762    HA   LEU 104           HA       LEU 104 118.319  -7.513  -7.513
  763   1HB   LEU 104          2HB       LEU 104 117.889 -10.147 -10.147
  764   2HB   LEU 104          1HB       LEU 104 117.484 -10.149 -10.149
  765    HG   LEU 104           HG       LEU 104 116.504  -7.751  -7.751
  766   1HD1  LEU 104          3HD1      LEU 104 116.402  -9.910  -9.910
  767   2HD1  LEU 104          2HD1      LEU 104 114.891 -10.111 -10.111
  768   3HD1  LEU 104          1HD1      LEU 104 115.199  -8.619  -8.619
  769   1HD2  LEU 104          2HD2      LEU 104 115.921  -8.980  -8.980
  770   2HD2  LEU 104          1HD2      LEU 104 114.678  -8.099  -8.099
  771   3HD2  LEU 104          3HD2      LEU 104 114.781  -9.855  -9.855
  772    H    ASP 105           H        ASP 105 121.164  -8.021  -8.021
  773    HA   ASP 105           HA       ASP 105 120.756  -8.849  -8.849
  774   1HB   ASP 105          2HB       ASP 105 121.545 -10.680 -10.680
  775   2HB   ASP 105          1HB       ASP 105 123.103 -10.089 -10.089
  776    H    VAL 106           H        VAL 106 121.399  -6.257  -6.257
  777    HA   VAL 106           HA       VAL 106 124.295  -5.917  -5.917
  778    HB   VAL 106           HB       VAL 106 123.049  -4.956  -4.956
  779   1HG1  VAL 106          2HG1      VAL 106 121.324  -4.007  -4.007
  780   2HG1  VAL 106          1HG1      VAL 106 122.255  -2.581  -2.581
  781   3HG1  VAL 106          3HG1      VAL 106 121.365  -3.488  -3.488
  782   1HG2  VAL 106          2HG2      VAL 106 125.217  -4.048  -4.048
  783   2HG2  VAL 106          1HG2      VAL 106 124.712  -3.428  -3.428
  784   3HG2  VAL 106          3HG2      VAL 106 124.202  -2.609  -2.609
  785    H    ARG 107           H        ARG 107 124.526  -3.573  -3.573
  786    HA   ARG 107           HA       ARG 107 122.651  -3.586  -3.586
  787   1HB   ARG 107          2HB       ARG 107 125.647  -3.113  -3.113
  788   2HB   ARG 107          1HB       ARG 107 124.558  -3.341  -3.341
  789   1HG   ARG 107          2HG       ARG 107 124.877  -5.560  -5.560
  790   2HG   ARG 107          1HG       ARG 107 124.272  -5.592  -5.592
  791   1HD   ARG 107          2HD       ARG 107 126.532  -6.482  -6.482
  792   2HD   ARG 107          1HD       ARG 107 126.602  -4.856  -4.856
  793    HE   ARG 107           HE       ARG 107 128.074  -4.379  -4.379
  794   1HH1  ARG 107          2HH1      ARG 107 127.009  -7.333  -7.333
  795   2HH1  ARG 107          1HH1      ARG 107 126.864  -6.999  -6.999
  796   1HH2  ARG 107          1HH2      ARG 107 127.255  -3.575  -3.575
  797   2HH2  ARG 107          2HH2      ARG 107 127.004  -4.873  -4.873
  798    H    ASP 108           H        ASP 108 122.196  -1.501  -1.501
  799    HA   ASP 108           HA       ASP 108 122.556   0.738   0.738
  800   1HB   ASP 108          2HB       ASP 108 121.306   1.935   1.935
  801   2HB   ASP 108          1HB       ASP 108 120.552   0.386   0.386
  802    H    ALA 109           H        ALA 109 125.107  -0.120  -0.120
  803    HA   ALA 109           HA       ALA 109 127.202   0.677   0.677
  804   1HB   ALA 109          3HB       ALA 109 125.349   2.956   2.956
  805   2HB   ALA 109          2HB       ALA 109 126.735   3.212   3.212
  806   3HB   ALA 109          1HB       ALA 109 126.982   2.817   2.817
  807    H    TRP 110           H        TRP 110 124.845   2.051   2.051
  808    HA   TRP 110           HA       TRP 110 126.401   1.941   1.941
  809   1HB   TRP 110          2HB       TRP 110 123.459   1.281   1.281
  810   2HB   TRP 110          1HB       TRP 110 124.227   1.821   1.821
  811    HD1  TRP 110           HD1      TRP 110 121.975   3.578   3.578
  812    HE1  TRP 110           HE1      TRP 110 122.346   5.963   5.963
  813    HE3  TRP 110           HE3      TRP 110 126.886   3.255   3.255
  814    HZ2  TRP 110           HZ2      TRP 110 124.425   7.520   7.520
  815    HZ3  TRP 110           HZ3      TRP 110 128.018   5.206   5.206
  816    HH2  TRP 110           HH2      TRP 110 126.801   7.338   7.338
  817    H    GLY 111           H        GLY 111 124.164  -0.656  -0.656
  818   1HA   GLY 111          2HA       GLY 111 125.663  -2.893  -2.893
  819   2HA   GLY 111          1HA       GLY 111 125.374  -2.521  -2.521
  820    H    ARG 112           H        ARG 112 122.680  -1.366  -1.366
  821    HA   ARG 112           HA       ARG 112 121.064  -3.654  -3.654
  822   1HB   ARG 112          2HB       ARG 112 120.730  -1.043  -1.043
  823   2HB   ARG 112          1HB       ARG 112 120.034  -1.216  -1.216
  824   1HG   ARG 112          2HG       ARG 112 118.130  -2.067  -2.067
  825   2HG   ARG 112          1HG       ARG 112 119.030  -3.294  -3.294
  826   1HD   ARG 112          2HD       ARG 112 117.673  -1.734  -1.734
  827   2HD   ARG 112          1HD       ARG 112 119.404  -1.752  -1.752
  828    HE   ARG 112           HE       ARG 112 118.788   0.238   0.238
  829   1HH1  ARG 112          2HH1      ARG 112 117.677  -0.213  -0.213
  830   2HH1  ARG 112          1HH1      ARG 112 118.234   1.315   1.315
  831   1HH2  ARG 112          1HH2      ARG 112 119.973   2.101   2.101
  832   2HH2  ARG 112          2HH2      ARG 112 119.536   2.629   2.629
  833    H    LEU 113           H        LEU 113 119.016  -3.896  -3.896
  834    HA   LEU 113           HA       LEU 113 120.118  -4.330  -4.330
  835   1HB   LEU 113          2HB       LEU 113 119.567  -6.268  -6.268
  836   2HB   LEU 113          1HB       LEU 113 118.373  -6.479  -6.479
  837    HG   LEU 113           HG       LEU 113 120.399  -6.314  -6.314
  838   1HD1  LEU 113          1HD1      LEU 113 121.729  -5.886  -5.886
  839   2HD1  LEU 113          3HD1      LEU 113 122.111  -7.559  -7.559
  840   3HD1  LEU 113          2HD1      LEU 113 122.483  -6.270  -6.270
  841   1HD2  LEU 113          3HD2      LEU 113 119.046  -8.366  -8.366
  842   2HD2  LEU 113          2HD2      LEU 113 120.739  -8.723  -8.723
  843   3HD2  LEU 113          1HD2      LEU 113 120.151  -8.736  -8.736
  844    HA   PRO 114           HA       PRO 114 116.116  -3.036  -3.036
  845   1HB   PRO 114          2HB       PRO 114 115.398  -4.832  -4.832
  846   2HB   PRO 114          1HB       PRO 114 116.672  -3.618  -3.618
  847   1HG   PRO 114          2HG       PRO 114 116.910  -6.514  -6.514
  848   2HG   PRO 114          1HG       PRO 114 117.914  -5.491  -5.491
  849   1HD   PRO 114          2HD       PRO 114 118.614  -6.266  -6.266
  850   2HD   PRO 114          1HD       PRO 114 119.228  -4.801  -4.801
  851    H    VAL 115           H        VAL 115 116.138  -6.608  -6.608
  852    HA   VAL 115           HA       VAL 115 113.380  -7.016  -7.016
  853    HB   VAL 115           HB       VAL 115 115.287  -8.697  -8.697
  854   1HG1  VAL 115          2HG1      VAL 115 116.752  -7.713  -7.713
  855   2HG1  VAL 115          1HG1      VAL 115 115.591  -8.248  -8.248
  856   3HG1  VAL 115          3HG1      VAL 115 116.461  -9.435  -9.435
  857   1HG2  VAL 115          3HG2      VAL 115 113.171  -8.963  -8.963
  858   2HG2  VAL 115          2HG2      VAL 115 113.178  -9.634  -9.634
  859   3HG2  VAL 115          1HG2      VAL 115 114.238 -10.310 -10.310
  860    H    ASP 116           H        ASP 116 115.953  -5.854  -5.854
  861    HA   ASP 116           HA       ASP 116 114.420  -5.957  -5.957
  862   1HB   ASP 116          2HB       ASP 116 116.796  -5.940  -5.940
  863   2HB   ASP 116          1HB       ASP 116 116.934  -4.602  -4.602
  864    H    LEU 117           H        LEU 117 115.025  -3.499  -3.499
  865    HA   LEU 117           HA       LEU 117 113.716  -1.317  -1.317
  866   1HB   LEU 117          2HB       LEU 117 114.994  -1.927  -1.927
  867   2HB   LEU 117          1HB       LEU 117 113.589  -0.883  -0.883
  868    HG   LEU 117           HG       LEU 117 115.470  -0.230  -0.230
  869   1HD1  LEU 117          1HD1      LEU 117 116.017   0.357   0.357
  870   2HD1  LEU 117          3HD1      LEU 117 116.893   1.063   1.063
  871   3HD1  LEU 117          2HD1      LEU 117 116.992  -0.671  -0.671
  872   1HD2  LEU 117          3HD2      LEU 117 113.249   0.961   0.961
  873   2HD2  LEU 117          2HD2      LEU 117 114.247   1.661   1.661
  874   3HD2  LEU 117          1HD2      LEU 117 114.656   1.941   1.941
  875    H    ALA 118           H        ALA 118 112.604  -3.891  -3.891
  876    HA   ALA 118           HA       ALA 118 110.012  -2.764  -2.764
  877   1HB   ALA 118          2HB       ALA 118 111.506  -4.814  -4.814
  878   2HB   ALA 118          1HB       ALA 118 110.432  -5.711  -5.711
  879   3HB   ALA 118          3HB       ALA 118 109.759  -4.742  -4.742
  880    H    GLU 119           H        GLU 119 111.016  -5.328  -5.328
  881    HA   GLU 119           HA       GLU 119 108.460  -5.579  -5.579
  882   1HB   GLU 119          2HB       GLU 119 110.968  -6.801  -6.801
  883   2HB   GLU 119          1HB       GLU 119 110.812  -6.149  -6.149
  884   1HG   GLU 119          2HG       GLU 119 108.375  -7.462  -7.462
  885   2HG   GLU 119          1HG       GLU 119 109.749  -8.542  -8.542
  886    H    GLU 120           H        GLU 120 110.917  -3.159  -3.159
  887    HA   GLU 120           HA       GLU 120 110.328  -2.296  -2.296
  888   1HB   GLU 120          2HB       GLU 120 112.241  -1.829  -1.829
  889   2HB   GLU 120          1HB       GLU 120 111.548  -0.270  -0.270
  890   1HG   GLU 120          2HG       GLU 120 112.167  -1.998  -1.998
  891   2HG   GLU 120          1HG       GLU 120 113.582  -1.519  -1.519
  892    H    LEU 121           H        LEU 121 109.397  -1.277  -1.277
  893    HA   LEU 121           HA       LEU 121 107.747   0.919   0.919
  894   1HB   LEU 121          2HB       LEU 121 108.707  -0.061  -0.061
  895   2HB   LEU 121          1HB       LEU 121 107.355   1.069   1.069
  896    HG   LEU 121           HG       LEU 121 109.753   1.700   1.700
  897   1HD1  LEU 121          1HD1      LEU 121 109.711   1.506   1.506
  898   2HD1  LEU 121          3HD1      LEU 121 110.446   2.954   2.954
  899   3HD1  LEU 121          2HD1      LEU 121 111.067   1.360   1.360
  900   1HD2  LEU 121          1HD2      LEU 121 107.366   2.982   2.982
  901   2HD2  LEU 121          3HD2      LEU 121 108.657   3.668   3.668
  902   3HD2  LEU 121          2HD2      LEU 121 108.710   3.825   3.825
  903    H    GLY 122           H        GLY 122 107.285  -2.350  -2.350
  904   1HA   GLY 122          2HA       GLY 122 105.176  -3.412  -3.412
  905   2HA   GLY 122          1HA       GLY 122 104.359  -1.973  -1.973
  906    H    HIS 123           H        HIS 123 106.989  -3.389  -3.389
  907    HA   HIS 123           HA       HIS 123 105.033  -4.013  -4.013
  908   1HB   HIS 123          2HB       HIS 123 108.067  -3.896  -3.896
  909   2HB   HIS 123          1HB       HIS 123 107.094  -4.075  -4.075
  910    HD1  HIS 123           HD1      HIS 123 104.986  -2.048  -2.048
  911    HD2  HIS 123           HD2      HIS 123 108.791  -1.242  -1.242
  912    HE1  HIS 123           HE1      HIS 123 105.207   0.475   0.475
  913    H    ARG 124           H        ARG 124 104.888  -5.775  -5.775
  914    HA   ARG 124           HA       ARG 124 106.462  -8.036  -8.036
  915   1HB   ARG 124          2HB       ARG 124 104.316  -9.190  -9.190
  916   2HB   ARG 124          1HB       ARG 124 104.404  -7.588  -7.588
  917   1HG   ARG 124          2HG       ARG 124 103.165  -6.712  -6.712
  918   2HG   ARG 124          1HG       ARG 124 102.882  -8.393  -8.393
  919   1HD   ARG 124          2HD       ARG 124 102.206  -7.614  -7.614
  920   2HD   ARG 124          1HD       ARG 124 101.127  -7.047  -7.047
  921    HE   ARG 124           HE       ARG 124 101.390  -9.612  -9.612
  922   1HH1  ARG 124          1HH2      ARG 124 102.202  -9.278  -9.278
  923   2HH1  ARG 124          2HH2      ARG 124 100.882 -10.191 -10.191
  924   1HH2  ARG 124          2HH1      ARG 124  99.162 -10.339 -10.339
  925   2HH2  ARG 124          1HH1      ARG 124  99.157 -10.789 -10.789
  926    H    ASP 125           H        ASP 125 104.145  -7.319  -7.319
  927    HA   ASP 125           HA       ASP 125 104.307  -9.857  -9.857
  928   1HB   ASP 125          2HB       ASP 125 103.307  -8.586  -8.586
  929   2HB   ASP 125          1HB       ASP 125 102.579  -8.090  -8.090
  930    H    VAL 126           H        VAL 126 106.186  -6.844  -6.844
  931    HA   VAL 126           HA       VAL 126 107.891  -7.982  -7.982
  932    HB   VAL 126           HB       VAL 126 108.415  -5.460  -5.460
  933   1HG1  VAL 126          3HG1      VAL 126 109.212  -6.668  -6.668
  934   2HG1  VAL 126          2HG1      VAL 126 108.849  -4.943  -4.943
  935   3HG1  VAL 126          1HG1      VAL 126 110.092  -5.546  -5.546
  936   1HG2  VAL 126          3HG2      VAL 126 106.218  -6.040  -6.040
  937   2HG2  VAL 126          2HG2      VAL 126 106.173  -5.042  -5.042
  938   3HG2  VAL 126          1HG2      VAL 126 106.973  -4.446  -4.446
  939    H    ALA 127           H        ALA 127 108.138  -7.186  -7.186
  940    HA   ALA 127           HA       ALA 127 110.876  -7.784  -7.784
  941   1HB   ALA 127          1HB       ALA 127 108.328  -7.728  -7.728
  942   2HB   ALA 127          3HB       ALA 127 109.702  -8.527  -8.527
  943   3HB   ALA 127          2HB       ALA 127 109.823  -6.839  -6.839
  944    H    ARG 128           H        ARG 128 108.043  -9.928  -9.928
  945    HA   ARG 128           HA       ARG 128 109.376 -12.317 -12.317
  946   1HB   ARG 128          2HB       ARG 128 106.840 -11.621 -11.621
  947   2HB   ARG 128          1HB       ARG 128 107.281 -13.306 -13.306
  948   1HG   ARG 128          2HG       ARG 128 107.635 -12.513 -12.513
  949   2HG   ARG 128          1HG       ARG 128 106.595 -11.172 -11.172
  950   1HD   ARG 128          2HD       ARG 128 105.142 -13.214 -13.214
  951   2HD   ARG 128          1HD       ARG 128 105.916 -14.049 -14.049
  952    HE   ARG 128           HE       ARG 128 104.090 -11.727 -11.727
  953   1HH1  ARG 128          1HH2      ARG 128 104.612 -14.556 -14.556
  954   2HH1  ARG 128          2HH2      ARG 128 104.858 -13.948 -13.948
  955   1HH2  ARG 128          2HH1      ARG 128 105.170 -10.646 -10.646
  956   2HH2  ARG 128          1HH1      ARG 128 105.173 -11.734 -11.734
  957    H    TYR 129           H        TYR 129 108.230 -11.432 -11.432
  958    HA   TYR 129           HA       TYR 129 109.607 -13.522 -13.522
  959   1HB   TYR 129          2HB       TYR 129 107.791 -12.086 -12.086
  960   2HB   TYR 129          1HB       TYR 129 108.916 -10.727 -10.727
  961    HD1  TYR 129           HD2      TYR 129 108.473 -14.236 -14.236
  962    HD2  TYR 129           HD1      TYR 129 110.340 -10.416 -10.416
  963    HE1  TYR 129           HE2      TYR 129 109.337 -15.015 -15.015
  964    HE2  TYR 129           HE1      TYR 129 111.202 -11.198 -11.198
  965    HH   TYR 129           HH       TYR 129 110.091 -14.044 -14.044
  966    H    LEU 130           H        LEU 130 110.619 -10.207 -10.207
  967    HA   LEU 130           HA       LEU 130 113.108 -10.174 -10.174
  968   1HB   LEU 130          2HB       LEU 130 111.874  -8.796  -8.796
  969   2HB   LEU 130          1HB       LEU 130 113.609  -8.603  -8.603
  970    HG   LEU 130           HG       LEU 130 111.509  -8.068  -8.068
  971   1HD1  LEU 130          1HD1      LEU 130 113.109  -6.200  -6.200
  972   2HD1  LEU 130          3HD1      LEU 130 112.170  -5.678  -5.678
  973   3HD1  LEU 130          2HD1      LEU 130 111.357  -6.402  -6.402
  974   1HD2  LEU 130          1HD2      LEU 130 114.408  -8.378  -8.378
  975   2HD2  LEU 130          3HD2      LEU 130 113.286  -8.217  -8.217
  976   3HD2  LEU 130          2HD2      LEU 130 113.929  -6.776  -6.776
  977    H    ARG 131           H        ARG 131 112.158 -11.623 -11.623
  978    HA   ARG 131           HA       ARG 131 114.815 -12.130 -12.130
  979   1HB   ARG 131          2HB       ARG 131 112.118 -12.490 -12.490
  980   2HB   ARG 131          1HB       ARG 131 112.830 -14.103 -14.103
  981   1HG   ARG 131          2HG       ARG 131 113.799 -13.627 -13.627
  982   2HG   ARG 131          1HG       ARG 131 114.762 -12.394 -12.394
  983   1HD   ARG 131          2HD       ARG 131 113.650 -11.151 -11.151
  984   2HD   ARG 131          1HD       ARG 131 112.588 -10.924 -10.924
  985    HE   ARG 131           HE       ARG 131 111.535 -13.185 -13.185
  986   1HH1  ARG 131          1HH2      ARG 131 111.428  -9.965  -9.965
  987   2HH1  ARG 131          2HH2      ARG 131 110.839 -10.197 -10.197
  988   1HH2  ARG 131          2HH1      ARG 131 111.287 -13.633 -13.633
  989   2HH2  ARG 131          1HH1      ARG 131 110.763 -12.269 -12.269
  990    H    ALA 132           H        ALA 132 112.599 -13.943 -13.943
  991    HA   ALA 132           HA       ALA 132 114.317 -16.306 -16.306
  992   1HB   ALA 132          1HB       ALA 132 111.731 -15.315 -15.315
  993   2HB   ALA 132          3HB       ALA 132 112.561 -16.532 -16.532
  994   3HB   ALA 132          2HB       ALA 132 112.122 -16.884 -16.884
  995    H    ALA 133           H        ALA 133 113.685 -13.445 -13.445
  996    HA   ALA 133           HA       ALA 133 115.407 -14.393 -14.393
  997   1HB   ALA 133          1HB       ALA 133 113.251 -12.880 -12.880
  998   2HB   ALA 133          3HB       ALA 133 114.392 -11.584 -11.584
  999   3HB   ALA 133          2HB       ALA 133 114.555 -12.515 -12.515
 1000    H    ALA 134           H        ALA 134 115.611 -12.187 -12.187
 1001    HA   ALA 134           HA       ALA 134 118.367 -11.380 -11.380
 1002   1HB   ALA 134          2HB       ALA 134 116.276  -9.907  -9.907
 1003   2HB   ALA 134          1HB       ALA 134 116.975 -10.296 -10.296
 1004   3HB   ALA 134          3HB       ALA 134 117.941  -9.451  -9.451
 1005    H    GLY 135           H        GLY 135 117.345 -14.019 -14.019
 1006   1HA   GLY 135          2HA       GLY 135 118.795 -13.913 -13.913
 1007   2HA   GLY 135          1HA       GLY 135 117.877 -15.289 -15.289
 1008    H    GLY 136           H        GLY 136 120.896 -14.557 -14.557
 1009   1HA   GLY 136          2HA       GLY 136 122.017 -16.512 -16.512
 1010   2HA   GLY 136          1HA       GLY 136 122.754 -14.911 -14.911
 1011    H    THR 137           H        THR 137 121.500 -16.132 -16.132
 1012    HA   THR 137           HA       THR 137 123.959 -15.800 -15.800
 1013    HB   THR 137           HB       THR 137 122.574 -17.503 -17.503
 1014    HG1  THR 137           HG1      THR 137 120.623 -17.839 -17.839
 1015   1HG2  THR 137          2HG2      THR 137 123.050 -15.044 -15.044
 1016   2HG2  THR 137          1HG2      THR 137 121.581 -14.706 -14.706
 1017   3HG2  THR 137          3HG2      THR 137 121.483 -15.576 -15.576
 1018    H    ARG 138           H        ARG 138 125.773 -17.028 -17.028
 1019    HA   ARG 138           HA       ARG 138 125.736 -19.654 -19.654
 1020   1HB   ARG 138          2HB       ARG 138 127.595 -17.580 -17.580
 1021   2HB   ARG 138          1HB       ARG 138 128.203 -19.144 -19.144
 1022   1HG   ARG 138          2HG       ARG 138 128.697 -19.771 -19.771
 1023   2HG   ARG 138          1HG       ARG 138 127.106 -19.291 -19.291
 1024   1HD   ARG 138          2HD       ARG 138 128.285 -16.842 -16.842
 1025   2HD   ARG 138          1HD       ARG 138 129.654 -17.817 -17.817
 1026    HE   ARG 138           HE       ARG 138 128.625 -17.829 -17.829
 1027   1HH1  ARG 138          2HH1      ARG 138 126.832 -15.542 -15.542
 1028   2HH1  ARG 138          1HH1      ARG 138 125.264 -16.173 -16.173
 1029   1HH2  ARG 138          1HH2      ARG 138 126.363 -19.449 -19.449
 1030   2HH2  ARG 138          2HH2      ARG 138 124.999 -18.388 -18.388
 1031    H    GLY 139           H        GLY 139 124.159 -20.569 -20.569
 1032   1HA   GLY 139          2HA       GLY 139 123.777 -21.981 -21.981
 1033   2HA   GLY 139          1HA       GLY 139 125.511 -22.315 -22.315
 1034    H    SER 140           H        SER 140 125.833 -22.218 -22.218
 1035    HA   SER 140           HA       SER 140 125.802 -19.474 -19.474
 1036   1HB   SER 140          2HB       SER 140 124.526 -20.199 -20.199
 1037   2HB   SER 140          1HB       SER 140 123.635 -20.690 -20.690
 1038    HG   SER 140           HG       SER 140 124.296 -22.759 -22.759
 1039    H    ASN 141           H        ASN 141 128.106 -19.546 -19.546
 1040    HA   ASN 141           HA       ASN 141 129.731 -21.704 -21.704
 1041   1HB   ASN 141          2HB       ASN 141 130.673 -19.794 -19.794
 1042   2HB   ASN 141          1HB       ASN 141 129.991 -18.691 -18.691
 1043   1HD2  ASN 141          1HD2      ASN 141 131.358 -18.117 -18.117
 1044   2HD2  ASN 141          2HD2      ASN 141 132.781 -18.940 -18.940
 1045    H    HIS 142           H        HIS 142 128.883 -18.859 -18.859
 1046    HA   HIS 142           HA       HIS 142 128.902 -20.699 -20.699
 1047   1HB   HIS 142          2HB       HIS 142 130.665 -18.607 -18.607
 1048   2HB   HIS 142          1HB       HIS 142 129.632 -17.948 -17.948
 1049    HD1  HIS 142           HD1      HIS 142 132.570 -18.508 -18.508
 1050    HD2  HIS 142           HD2      HIS 142 129.535 -21.302 -21.302
 1051    HE1  HIS 142           HE1      HIS 142 133.427 -20.135 -20.135
 1052    H    ALA 143           H        ALA 143 127.967 -17.355 -17.355
 1053    HA   ALA 143           HA       ALA 143 125.240 -17.864 -17.864
 1054   1HB   ALA 143          3HB       ALA 143 127.143 -15.677 -15.677
 1055   2HB   ALA 143          2HB       ALA 143 125.460 -15.821 -15.821
 1056   3HB   ALA 143          1HB       ALA 143 126.628 -17.059 -17.059
 1057    H    ARG 144           H        ARG 144 124.086 -17.358 -17.358
 1058    HA   ARG 144           HA       ARG 144 124.749 -15.710 -15.710
 1059   1HB   ARG 144          2HB       ARG 144 122.772 -17.250 -17.250
 1060   2HB   ARG 144          1HB       ARG 144 122.009 -15.987 -15.987
 1061   1HG   ARG 144          2HG       ARG 144 121.696 -14.588 -14.588
 1062   2HG   ARG 144          1HG       ARG 144 123.051 -15.282 -15.282
 1063   1HD   ARG 144          2HD       ARG 144 120.971 -16.024 -16.024
 1064   2HD   ARG 144          1HD       ARG 144 121.699 -17.415 -17.415
 1065    HE   ARG 144           HE       ARG 144 120.094 -17.117 -17.117
 1066   1HH1  ARG 144          2HH1      ARG 144 119.056 -16.228 -16.228
 1067   2HH1  ARG 144          1HH1      ARG 144 117.718 -15.264 -15.264
 1068   1HH2  ARG 144          1HH2      ARG 144 118.627 -15.370 -15.370
 1069   2HH2  ARG 144          2HH2      ARG 144 117.477 -14.778 -14.778
 1070    H    ILE 145           H        ILE 145 125.137 -13.546 -13.546
 1071    HA   ILE 145           HA       ILE 145 125.190 -11.249 -11.249
 1072    HB   ILE 145           HB       ILE 145 122.538 -11.931 -11.931
 1073   1HG1  ILE 145          2HG1      ILE 145 123.106 -11.097 -11.097
 1074   2HG1  ILE 145          1HG1      ILE 145 122.726 -12.746 -12.746
 1075   1HG2  ILE 145          3HG2      ILE 145 123.678  -9.369  -9.369
 1076   2HG2  ILE 145          2HG2      ILE 145 122.006  -9.569  -9.569
 1077   3HG2  ILE 145          1HG2      ILE 145 123.321  -9.688  -9.688
 1078   1HD1  ILE 145          2HD1      ILE 145 120.833 -10.703 -10.703
 1079   2HD1  ILE 145          1HD1      ILE 145 120.848 -10.903 -10.903
 1080   3HD1  ILE 145          3HD1      ILE 145 120.514 -12.286 -12.286
 1081    H    ASP 146           H        ASP 146 125.354  -9.731  -9.731
 1082    HA   ASP 146           HA       ASP 146 125.193 -10.531 -10.531
 1083   1HB   ASP 146          2HB       ASP 146 127.413 -11.610 -11.610
 1084   2HB   ASP 146          1HB       ASP 146 128.001 -10.636 -10.636
 1085    H    ALA 147           H        ALA 147 124.637  -8.321  -8.321
 1086    HA   ALA 147           HA       ALA 147 125.969  -6.055  -6.055
 1087   1HB   ALA 147          1HB       ALA 147 124.364  -6.678  -6.678
 1088   2HB   ALA 147          3HB       ALA 147 125.044  -5.065  -5.065
 1089   3HB   ALA 147          2HB       ALA 147 123.907  -5.710  -5.710
 1090    H    ALA 148           H        ALA 148 128.238  -6.120  -6.120
 1091    HA   ALA 148           HA       ALA 148 129.854  -7.019  -7.019
 1092   1HB   ALA 148          2HB       ALA 148 130.269  -4.845  -4.845
 1093   2HB   ALA 148          1HB       ALA 148 131.561  -5.547  -5.547
 1094   3HB   ALA 148          3HB       ALA 148 130.677  -6.552  -6.552
 1095    H    GLU 149           H        GLU 149 130.263  -6.144  -6.144
 1096    HA   GLU 149           HA       GLU 149 128.864  -3.922  -3.922
 1097   1HB   GLU 149          2HB       GLU 149 131.536  -5.126  -5.126
 1098   2HB   GLU 149          1HB       GLU 149 130.485  -4.172  -4.172
 1099   1HG   GLU 149          2HG       GLU 149 129.494  -6.109  -6.109
 1100   2HG   GLU 149          1HG       GLU 149 128.806  -6.161  -6.161
 1101    H    GLY 150           H        GLY 150 129.521  -1.744  -1.744
 1102   1HA   GLY 150          2HA       GLY 150 130.768   0.233   0.233
 1103   2HA   GLY 150          1HA       GLY 150 132.114  -0.759  -0.759
 1104    HA   PRO 151           HA       PRO 151 129.425   1.046   1.046
 1105   1HB   PRO 151          2HB       PRO 151 130.458   3.566   3.566
 1106   2HB   PRO 151          1HB       PRO 151 129.030   3.219   3.219
 1107   1HG   PRO 151          2HG       PRO 151 131.846   3.686   3.686
 1108   2HG   PRO 151          1HG       PRO 151 130.340   4.203   4.203
 1109   1HD   PRO 151          2HD       PRO 151 131.828   2.087   2.087
 1110   2HD   PRO 151          1HD       PRO 151 130.072   2.219   2.219
 1111    H    SER 152           H        SER 152 130.280   0.546   0.546
 1112    HA   SER 152           HA       SER 152 133.264   0.520   0.520
 1113   1HB   SER 152          2HB       SER 152 131.023  -1.089  -1.089
 1114   2HB   SER 152          1HB       SER 152 132.717  -1.254  -1.254
 1115    HG   SER 152           HG       SER 152 131.382  -2.223  -2.223
 1116    H    ASP 153           H        ASP 153 130.304   1.810   1.810
 1117    HA   ASP 153           HA       ASP 153 130.932   2.358   2.358
 1118   1HB   ASP 153          2HB       ASP 153 128.808   2.815   2.815
 1119   2HB   ASP 153          1HB       ASP 153 129.595   4.225   4.225
 1120    H    ILE 154           H        ILE 154 131.831   4.308   4.308
 1121    HA   ILE 154           HA       ILE 154 133.995   5.560   5.560
 1122    HB   ILE 154           HB       ILE 154 133.677   5.104   5.104
 1123   1HG1  ILE 154          2HG1      ILE 154 135.958   3.831   3.831
 1124   2HG1  ILE 154          1HG1      ILE 154 134.500   3.378   3.378
 1125   1HG2  ILE 154          1HG2      ILE 154 135.292   6.987   6.987
 1126   2HG2  ILE 154          3HG2      ILE 154 136.370   5.678   5.678
 1127   3HG2  ILE 154          2HG2      ILE 154 135.398   6.515   6.515
 1128   1HD1  ILE 154          3HD1      ILE 154 134.860   3.185   3.185
 1129   2HD1  ILE 154          2HD1      ILE 154 134.926   1.829   1.829
 1130   3HD1  ILE 154          1HD1      ILE 154 133.418   2.713   2.713
 1131    HA   PRO 155           HA       PRO 155 131.044   8.983   8.983
 1132   1HB   PRO 155          2HB       PRO 155 131.527  10.313  10.313
 1133   2HB   PRO 155          1HB       PRO 155 130.354   8.988   8.988
 1134   1HG   PRO 155          2HG       PRO 155 133.127   8.961   8.961
 1135   2HG   PRO 155          1HG       PRO 155 131.685   8.109   8.109
 1136   1HD   PRO 155          2HD       PRO 155 133.662   6.926   6.926
 1137   2HD   PRO 155          1HD       PRO 155 131.973   6.372   6.372
 1138    H    ASP 156           HN       ASP 156 132.026  10.323  10.323
 1139    HA   ASP 156           HA       ASP 156 134.332  11.980  11.980
 1140   1HB   ASP 156          2HB       ASP 156 134.218   9.897   9.897
 1141   2HB   ASP 156          1HB       ASP 156 134.954  11.411  11.411

  Start of MODEL    6
    1   1H    MET   1          3H        MET   1 128.412   6.011   6.011
    2   2H    MET   1          2H        MET   1 129.410   5.481   5.481
    3   3H    MET   1          1H        MET   1 129.058   4.443   4.443
    4    HA   MET   1           HA       MET   1 131.229   5.202   5.202
    5   1HB   MET   1          2HB       MET   1 129.994   7.670   7.670
    6   2HB   MET   1          1HB       MET   1 131.358   7.875   7.875
    7   1HG   MET   1          2HG       MET   1 131.809   5.736   5.736
    8   2HG   MET   1          1HG       MET   1 131.529   7.297   7.297
    9   1HE   MET   1          2HE       MET   1 133.000   8.880   8.880
   10   2HE   MET   1          1HE       MET   1 134.716   8.892   8.892
   11   3HE   MET   1          3HE       MET   1 134.039   7.580   7.580
   12    H    GLU   2           H        GLU   2 129.298   8.036   8.036
   13    HA   GLU   2           HA       GLU   2 128.485   7.055   7.055
   14   1HB   GLU   2          2HB       GLU   2 131.144   7.270   7.270
   15   2HB   GLU   2          1HB       GLU   2 130.778   8.963   8.963
   16   1HG   GLU   2          2HG       GLU   2 129.710   8.447   8.447
   17   2HG   GLU   2          1HG       GLU   2 129.522   6.747   6.747
   18    HA   PRO   3           HA       PRO   3 126.401  10.933  10.933
   19   1HB   PRO   3          2HB       PRO   3 124.461  10.665  10.665
   20   2HB   PRO   3          1HB       PRO   3 124.412   9.804   9.804
   21   1HG   PRO   3          2HG       PRO   3 125.156   8.814   8.814
   22   2HG   PRO   3          1HG       PRO   3 124.335   7.976   7.976
   23   1HD   PRO   3          2HD       PRO   3 127.003   7.672   7.672
   24   2HD   PRO   3          1HD       PRO   3 126.290   7.277   7.277
   25    H    ALA   4           H        ALA   4 127.030  12.896  12.896
   26    HA   ALA   4           HA       ALA   4 127.177  13.342  13.342
   27   1HB   ALA   4          2HB       ALA   4 129.329  12.209  12.209
   28   2HB   ALA   4          1HB       ALA   4 129.659  13.755  13.755
   29   3HB   ALA   4          3HB       ALA   4 129.527  13.663  13.663
   30    H    ALA   5           H        ALA   5 125.420  14.754  14.754
   31    HA   ALA   5           HA       ALA   5 126.167  16.969  16.969
   32   1HB   ALA   5          3HB       ALA   5 123.866  15.863  15.863
   33   2HB   ALA   5          2HB       ALA   5 123.947  17.200  17.200
   34   3HB   ALA   5          1HB       ALA   5 123.937  17.524  17.524
   35    H    GLY   6           H        GLY   6 125.713  16.752  16.752
   36   1HA   GLY   6          2HA       GLY   6 127.860  18.336  18.336
   37   2HA   GLY   6          1HA       GLY   6 126.572  19.492  19.492
   38    H    SER   7           H        SER   7 127.175  19.699  19.699
   39    HA   SER   7           HA       SER   7 125.341  17.902  17.902
   40   1HB   SER   7          2HB       SER   7 127.869  19.392  19.392
   41   2HB   SER   7          1HB       SER   7 126.866  18.487  18.487
   42    HG   SER   7           HG       SER   7 127.548  16.653  16.653
   43    H    SER   8           H        SER   8 124.418  19.103  19.103
   44    HA   SER   8           HA       SER   8 123.032  20.861  20.861
   45   1HB   SER   8          2HB       SER   8 125.422  22.333  22.333
   46   2HB   SER   8          1HB       SER   8 124.211  23.085  23.085
   47    HG   SER   8           HG       SER   8 125.654  20.752  20.752
   48    H    MET   9           H        MET   9 122.108  19.878  19.878
   49    HA   MET   9           HA       MET   9 121.309  22.330  22.330
   50   1HB   MET   9          2HB       MET   9 122.834  20.068  20.068
   51   2HB   MET   9          1HB       MET   9 121.256  19.891  19.891
   52   1HG   MET   9          2HG       MET   9 121.707  21.544  21.544
   53   2HG   MET   9          1HG       MET   9 122.172  22.643  22.643
   54   1HE   MET   9          2HE       MET   9 123.121  23.192  23.192
   55   2HE   MET   9          1HE       MET   9 124.850  23.429  23.429
   56   3HE   MET   9          3HE       MET   9 124.272  22.208  22.208
   57    H    GLU  10           H        GLU  10 120.160  20.165  20.165
   58    HA   GLU  10           HA       GLU  10 118.059  19.174  19.174
   59   1HB   GLU  10          2HB       GLU  10 117.849  21.843  21.843
   60   2HB   GLU  10          1HB       GLU  10 116.667  21.091  21.091
   61   1HG   GLU  10          2HG       GLU  10 116.355  19.841  19.841
   62   2HG   GLU  10          1HG       GLU  10 116.478  21.571  21.571
   63    HA   PRO  11           HA       PRO  11 118.002  17.241  17.241
   64   1HB   PRO  11          2HB       PRO  11 118.736  14.728  14.728
   65   2HB   PRO  11          1HB       PRO  11 119.910  15.978  15.978
   66   1HG   PRO  11          2HG       PRO  11 119.043  15.101  15.101
   67   2HG   PRO  11          1HG       PRO  11 120.658  15.535  15.535
   68   1HD   PRO  11          2HD       PRO  11 119.107  17.215  17.215
   69   2HD   PRO  11          1HD       PRO  11 120.297  17.784  17.784
   70    H    SER  12           H        SER  12 116.731  15.001  15.001
   71    HA   SER  12           HA       SER  12 114.333  15.039  15.039
   72   1HB   SER  12          2HB       SER  12 114.487  14.092  14.092
   73   2HB   SER  12          1HB       SER  12 113.059  14.591  14.591
   74    HG   SER  12           HG       SER  12 113.495  16.423  16.423
   75    H    ALA  13           H        ALA  13 116.836  13.020  13.020
   76    HA   ALA  13           HA       ALA  13 115.718  10.442  10.442
   77   1HB   ALA  13          2HB       ALA  13 118.461  11.540  11.540
   78   2HB   ALA  13          1HB       ALA  13 118.129   9.810   9.810
   79   3HB   ALA  13          3HB       ALA  13 117.916  10.819  10.819
   80    H    ASP  14           H        ASP  14 116.654  12.573  12.573
   81    HA   ASP  14           HA       ASP  14 116.593  10.503  10.503
   82   1HB   ASP  14          2HB       ASP  14 116.826  12.511  12.511
   83   2HB   ASP  14          1HB       ASP  14 118.019  12.479  12.479
   84    H    TRP  15           H        TRP  15 114.146  11.550  11.550
   85    HA   TRP  15           HA       TRP  15 112.175  12.464  12.464
   86   1HB   TRP  15          2HB       TRP  15 112.239  11.352  11.352
   87   2HB   TRP  15          1HB       TRP  15 110.689  11.579  11.579
   88    HD1  TRP  15           HD1      TRP  15 113.421  14.001  14.001
   89    HE1  TRP  15           HE1      TRP  15 112.885  16.316  16.316
   90    HE3  TRP  15           HE3      TRP  15 109.487  12.761  12.761
   91    HZ2  TRP  15           HZ2      TRP  15 111.028  17.484  17.484
   92    HZ3  TRP  15           HZ3      TRP  15 108.354  14.490  14.490
   93    HH2  TRP  15           HH2      TRP  15 109.118  16.850  16.850
   94    H    LEU  16           H        LEU  16 113.636   9.424   9.424
   95    HA   LEU  16           HA       LEU  16 111.308   7.734   7.734
   96   1HB   LEU  16          2HB       LEU  16 114.241   7.181   7.181
   97   2HB   LEU  16          1HB       LEU  16 112.978   6.002   6.002
   98    HG   LEU  16           HG       LEU  16 113.993   8.111   8.111
   99   1HD1  LEU  16          2HD1      LEU  16 115.156   5.693   5.693
  100   2HD1  LEU  16          1HD1      LEU  16 114.249   5.294   5.294
  101   3HD1  LEU  16          3HD1      LEU  16 115.458   6.578   6.578
  102   1HD2  LEU  16          3HD2      LEU  16 111.562   6.551   6.551
  103   2HD2  LEU  16          2HD2      LEU  16 112.054   7.756   7.756
  104   3HD2  LEU  16          1HD2      LEU  16 112.524   6.072   6.072
  105    H    ALA  17           H        ALA  17 114.109   8.745   8.745
  106    HA   ALA  17           HA       ALA  17 113.100   7.734   7.734
  107   1HB   ALA  17          1HB       ALA  17 115.392   9.045   9.045
  108   2HB   ALA  17          3HB       ALA  17 114.861   9.983   9.983
  109   3HB   ALA  17          2HB       ALA  17 115.232   8.269   8.269
  110    H    THR  18           H        THR  18 112.747  10.855  10.855
  111    HA   THR  18           HA       THR  18 111.607  12.258  12.258
  112    HB   THR  18           HB       THR  18 110.720  13.554  13.554
  113    HG1  THR  18           HG1      THR  18 111.659  11.891  11.891
  114   1HG2  THR  18          3HG2      THR  18 113.431  13.586  13.586
  115   2HG2  THR  18          2HG2      THR  18 112.929  14.787  14.787
  116   3HG2  THR  18          1HG2      THR  18 112.055  14.635  14.635
  117    H    ALA  19           H        ALA  19 110.010  11.112  11.112
  118    HA   ALA  19           HA       ALA  19 107.344  11.528  11.528
  119   1HB   ALA  19          2HB       ALA  19 108.794  10.095  10.095
  120   2HB   ALA  19          1HB       ALA  19 107.322   9.247   9.247
  121   3HB   ALA  19          3HB       ALA  19 107.239  10.918  10.918
  122    H    ALA  20           H        ALA  20 109.335   8.558   8.558
  123    HA   ALA  20           HA       ALA  20 107.525   6.796   6.796
  124   1HB   ALA  20          2HB       ALA  20 109.952   6.452   6.452
  125   2HB   ALA  20          1HB       ALA  20 110.397   7.238   7.238
  126   3HB   ALA  20          3HB       ALA  20 109.500   5.719   5.719
  127    H    ALA  21           H        ALA  21 109.791   8.829   8.829
  128    HA   ALA  21           HA       ALA  21 108.683   8.457   8.457
  129   1HB   ALA  21          2HB       ALA  21 110.418  10.323  10.323
  130   2HB   ALA  21          1HB       ALA  21 109.501  11.131  11.131
  131   3HB   ALA  21          3HB       ALA  21 110.523   9.750   9.750
  132    H    ARG  22           H        ARG  22 107.466  10.334  10.334
  133    HA   ARG  22           HA       ARG  22 105.552  11.837  11.837
  134   1HB   ARG  22          2HB       ARG  22 106.940  12.300  12.300
  135   2HB   ARG  22          1HB       ARG  22 105.362  11.841  11.841
  136   1HG   ARG  22          2HG       ARG  22 105.171  14.169  14.169
  137   2HG   ARG  22          1HG       ARG  22 104.406  13.490  13.490
  138   1HD   ARG  22          2HD       ARG  22 107.159  13.675  13.675
  139   2HD   ARG  22          1HD       ARG  22 106.731  15.209  15.209
  140    HE   ARG  22           HE       ARG  22 105.539  14.150  14.150
  141   1HH1  ARG  22          1HH2      ARG  22 104.894  16.106  16.106
  142   2HH1  ARG  22          2HH2      ARG  22 104.162  17.383  17.383
  143   1HH2  ARG  22          2HH1      ARG  22 104.828  15.941  15.941
  144   2HH2  ARG  22          1HH1      ARG  22 104.113  17.284  17.284
  145    H    GLY  23           H        GLY  23 105.348   8.807   8.807
  146   1HA   GLY  23          2HA       GLY  23 103.727   7.172   7.172
  147   2HA   GLY  23          1HA       GLY  23 102.610   8.438   8.438
  148    H    ARG  24           H        ARG  24 104.726   8.327   8.327
  149    HA   ARG  24           HA       ARG  24 102.264   8.489   8.489
  150   1HB   ARG  24          2HB       ARG  24 104.652  10.156  10.156
  151   2HB   ARG  24          1HB       ARG  24 104.383   9.670   9.670
  152   1HG   ARG  24          2HG       ARG  24 102.565  11.002  11.002
  153   2HG   ARG  24          1HG       ARG  24 101.910  10.476  10.476
  154   1HD   ARG  24          2HD       ARG  24 103.692  11.969  11.969
  155   2HD   ARG  24          1HD       ARG  24 103.929  12.673  12.673
  156    HE   ARG  24           HE       ARG  24 101.122  12.515  12.515
  157   1HH1  ARG  24          1HH2      ARG  24 104.063  14.356  14.356
  158   2HH1  ARG  24          2HH2      ARG  24 103.249  15.873  15.873
  159   1HH2  ARG  24          2HH1      ARG  24 100.067  14.492  14.492
  160   2HH2  ARG  24          1HH1      ARG  24 100.991  15.951  15.951
  161    H    VAL  25           H        VAL  25 102.239   6.272   6.272
  162    HA   VAL  25           HA       VAL  25 104.673   4.900   4.900
  163    HB   VAL  25           HB       VAL  25 101.720   4.184   4.184
  164   1HG1  VAL  25          3HG1      VAL  25 104.237   2.540   2.540
  165   2HG1  VAL  25          2HG1      VAL  25 102.649   1.832   1.832
  166   3HG1  VAL  25          1HG1      VAL  25 102.925   2.779   2.779
  167   1HG2  VAL  25          3HG2      VAL  25 103.055   4.662   4.662
  168   2HG2  VAL  25          2HG2      VAL  25 101.943   3.297   3.297
  169   3HG2  VAL  25          1HG2      VAL  25 103.678   3.038   3.038
  170    H    GLU  26           H        GLU  26 101.567   5.755   5.755
  171    HA   GLU  26           HA       GLU  26 102.035   5.052   5.052
  172   1HB   GLU  26          2HB       GLU  26 100.634   7.197   7.197
  173   2HB   GLU  26          1HB       GLU  26  99.928   5.958   5.958
  174   1HG   GLU  26          2HG       GLU  26 100.075   7.258   7.258
  175   2HG   GLU  26          1HG       GLU  26 101.566   8.034   8.034
  176    H    GLU  27           H        GLU  27 103.447   7.878   7.878
  177    HA   GLU  27           HA       GLU  27 104.499   9.121   9.121
  178   1HB   GLU  27          2HB       GLU  27 104.928   9.239   9.239
  179   2HB   GLU  27          1HB       GLU  27 106.141   9.983   9.983
  180   1HG   GLU  27          2HG       GLU  27 103.700  10.812  10.812
  181   2HG   GLU  27          1HG       GLU  27 103.454  10.910  10.910
  182    H    VAL  28           H        VAL  28 106.274   7.413   7.413
  183    HA   VAL  28           HA       VAL  28 108.632   6.932   6.932
  184    HB   VAL  28           HB       VAL  28 107.475   5.139   5.139
  185   1HG1  VAL  28          1HG1      VAL  28 109.759   4.792   4.792
  186   2HG1  VAL  28          3HG1      VAL  28 110.327   6.019   6.019
  187   3HG1  VAL  28          2HG1      VAL  28 109.654   4.506   4.506
  188   1HG2  VAL  28          1HG2      VAL  28 108.184   7.984   7.984
  189   2HG2  VAL  28          3HG2      VAL  28 107.313   6.994   6.994
  190   3HG2  VAL  28          2HG2      VAL  28 109.077   7.004   7.004
  191    H    ARG  29           H        ARG  29 105.723   4.871   4.871
  192    HA   ARG  29           HA       ARG  29 106.474   2.536   2.536
  193   1HB   ARG  29          2HB       ARG  29 104.217   3.518   3.518
  194   2HB   ARG  29          1HB       ARG  29 103.809   3.742   3.742
  195   1HG   ARG  29          2HG       ARG  29 103.045   1.578   1.578
  196   2HG   ARG  29          1HG       ARG  29 104.689   1.257   1.257
  197   1HD   ARG  29          2HD       ARG  29 105.459   0.763   0.763
  198   2HD   ARG  29          1HD       ARG  29 104.109   1.617   1.617
  199    HE   ARG  29           HE       ARG  29 102.897  -0.394  -0.394
  200   1HH1  ARG  29          1HH2      ARG  29 105.759  -0.782  -0.782
  201   2HH1  ARG  29          2HH2      ARG  29 105.157  -2.044  -2.044
  202   1HH2  ARG  29          2HH1      ARG  29 101.895  -1.775  -1.775
  203   2HH2  ARG  29          1HH1      ARG  29 102.976  -2.600  -2.600
  204    H    ALA  30           H        ALA  30 105.124   5.493   5.493
  205    HA   ALA  30           HA       ALA  30 105.675   4.452   4.452
  206   1HB   ALA  30          3HB       ALA  30 103.994   6.413   6.413
  207   2HB   ALA  30          2HB       ALA  30 104.856   7.160   7.160
  208   3HB   ALA  30          1HB       ALA  30 103.848   5.740   5.740
  209    H    LEU  31           H        LEU  31 106.649   7.320   7.320
  210    HA   LEU  31           HA       LEU  31 108.536   8.343   8.343
  211   1HB   LEU  31          2HB       LEU  31 108.633   9.931   9.931
  212   2HB   LEU  31          1HB       LEU  31 107.523   8.952   8.952
  213    HG   LEU  31           HG       LEU  31 109.625   7.724   7.724
  214   1HD1  LEU  31          1HD1      LEU  31 110.842   9.338   9.338
  215   2HD1  LEU  31          3HD1      LEU  31 111.233  10.129  10.129
  216   3HD1  LEU  31          2HD1      LEU  31 111.666   8.441   8.441
  217   1HD2  LEU  31          3HD2      LEU  31 108.277   9.364   9.364
  218   2HD2  LEU  31          2HD2      LEU  31 109.993   9.432   9.432
  219   3HD2  LEU  31          1HD2      LEU  31 109.281  10.662  10.662
  220    H    LEU  32           H        LEU  32 108.986   5.938   5.938
  221    HA   LEU  32           HA       LEU  32 111.834   5.704   5.704
  222   1HB   LEU  32          2HB       LEU  32 110.311   4.962   4.962
  223   2HB   LEU  32          1HB       LEU  32 109.953   3.544   3.544
  224    HG   LEU  32           HG       LEU  32 112.815   4.329   4.329
  225   1HD1  LEU  32          2HD1      LEU  32 110.896   3.148   3.148
  226   2HD1  LEU  32          1HD1      LEU  32 112.536   2.503   2.503
  227   3HD1  LEU  32          3HD1      LEU  32 112.274   4.215   4.215
  228   1HD2  LEU  32          3HD2      LEU  32 111.923   2.475   2.475
  229   2HD2  LEU  32          2HD2      LEU  32 113.251   2.080   2.080
  230   3HD2  LEU  32          1HD2      LEU  32 111.612   1.579   1.579
  231    H    GLU  33           H        GLU  33 109.071   3.779   3.779
  232    HA   GLU  33           HA       GLU  33 110.578   1.912   1.912
  233   1HB   GLU  33          2HB       GLU  33 108.122   1.906   1.906
  234   2HB   GLU  33          1HB       GLU  33 107.853   3.070   3.070
  235   1HG   GLU  33          2HG       GLU  33 109.119   1.305   1.305
  236   2HG   GLU  33          1HG       GLU  33 108.676   0.185   0.185
  237    H    ALA  34           H        ALA  34 110.072   5.284   5.284
  238    HA   ALA  34           HA       ALA  34 110.298   5.285   5.285
  239   1HB   ALA  34          3HB       ALA  34 109.227   7.075   7.075
  240   2HB   ALA  34          2HB       ALA  34 110.780   7.426   7.426
  241   3HB   ALA  34          1HB       ALA  34 110.556   7.719   7.719
  242    H    GLY  35           H        GLY  35 112.551   6.482   6.482
  243   1HA   GLY  35          2HA       GLY  35 114.824   5.068   5.068
  244   2HA   GLY  35          1HA       GLY  35 114.810   6.709   6.709
  245    H    ALA  36           H        ALA  36 113.564   6.011   6.011
  246    HA   ALA  36           HA       ALA  36 115.330   7.965   7.965
  247   1HB   ALA  36          1HB       ALA  36 113.020   7.346   7.346
  248   2HB   ALA  36          3HB       ALA  36 113.648   5.795   5.795
  249   3HB   ALA  36          2HB       ALA  36 114.192   7.291   7.291
  250    H    LEU  37           H        LEU  37 116.774   7.374   7.374
  251    HA   LEU  37           HA       LEU  37 118.499   5.083   5.083
  252   1HB   LEU  37          2HB       LEU  37 118.750   7.705   7.705
  253   2HB   LEU  37          1HB       LEU  37 119.845   6.434   6.434
  254    HG   LEU  37           HG       LEU  37 120.821   7.792   7.792
  255   1HD1  LEU  37          1HD1      LEU  37 121.279   5.294   5.294
  256   2HD1  LEU  37          3HD1      LEU  37 120.197   5.008   5.008
  257   3HD1  LEU  37          2HD1      LEU  37 121.674   5.942   5.942
  258   1HD2  LEU  37          1HD2      LEU  37 118.436   6.693   6.693
  259   2HD2  LEU  37          3HD2      LEU  37 118.837   8.388   8.388
  260   3HD2  LEU  37          2HD2      LEU  37 119.845   7.402   7.402
  261    HA   PRO  38           HA       PRO  38 116.940   2.780   2.780
  262   1HB   PRO  38          2HB       PRO  38 118.834   0.803   0.803
  263   2HB   PRO  38          1HB       PRO  38 117.500   0.862   0.862
  264   1HG   PRO  38          2HG       PRO  38 120.345   1.685   1.685
  265   2HG   PRO  38          1HG       PRO  38 119.275   0.857   0.857
  266   1HD   PRO  38          2HD       PRO  38 119.850   3.512   3.512
  267   2HD   PRO  38          1HD       PRO  38 118.319   2.812   2.812
  268    H    ASN  39           H        ASN  39 120.175   4.033   4.033
  269    HA   ASN  39           HA       ASN  39 120.463   4.054   4.054
  270   1HB   ASN  39          2HB       ASN  39 122.661   3.730   3.730
  271   2HB   ASN  39          1HB       ASN  39 122.787   3.486   3.486
  272   1HD2  ASN  39          1HD2      ASN  39 120.496   1.923   1.923
  273   2HD2  ASN  39          2HD2      ASN  39 120.618   0.448   0.448
  274    H    ALA  40           H        ALA  40 119.285   6.203   6.203
  275    HA   ALA  40           HA       ALA  40 121.249   8.180   8.180
  276   1HB   ALA  40          3HB       ALA  40 118.492   7.681   7.681
  277   2HB   ALA  40          2HB       ALA  40 118.614   9.172   9.172
  278   3HB   ALA  40          1HB       ALA  40 119.362   9.065   9.065
  279    HA   PRO  41           HA       PRO  41 122.128   9.840   9.840
  280   1HB   PRO  41          2HB       PRO  41 122.936  12.343  12.343
  281   2HB   PRO  41          1HB       PRO  41 123.939  10.896  10.896
  282   1HG   PRO  41          2HG       PRO  41 122.232  12.346  12.346
  283   2HG   PRO  41          1HG       PRO  41 123.835  11.623  11.623
  284   1HD   PRO  41          2HD       PRO  41 121.554  10.428  10.428
  285   2HD   PRO  41          1HD       PRO  41 122.993   9.519   9.519
  286    H    ASN  42           H        ASN  42 120.836  10.891  10.891
  287    HA   ASN  42           HA       ASN  42 118.461  12.373  12.373
  288   1HB   ASN  42          2HB       ASN  42 119.046  11.404  11.404
  289   2HB   ASN  42          1HB       ASN  42 117.474  11.776  11.776
  290   1HD2  ASN  42          1HD2      ASN  42 120.058   9.362   9.362
  291   2HD2  ASN  42          2HD2      ASN  42 119.196   8.147   8.147
  292    H    SER  43           H        SER  43 117.866  13.822  13.822
  293    HA   SER  43           HA       SER  43 120.097  15.825  15.825
  294   1HB   SER  43          2HB       SER  43 117.222  16.430  16.430
  295   2HB   SER  43          1HB       SER  43 118.451  17.485  17.485
  296    HG   SER  43           HG       SER  43 117.445  16.935  16.935
  297    H    TYR  44           H        TYR  44 119.108  13.402  13.402
  298    HA   TYR  44           HA       TYR  44 119.702  14.836  14.836
  299   1HB   TYR  44          2HB       TYR  44 117.558  13.060  13.060
  300   2HB   TYR  44          1HB       TYR  44 117.548  14.815  14.815
  301    HD1  TYR  44           HD2      TYR  44 117.330  12.118  12.118
  302    HD2  TYR  44           HD1      TYR  44 115.959  15.951  15.951
  303    HE1  TYR  44           HE2      TYR  44 115.719  12.223  12.223
  304    HE2  TYR  44           HE1      TYR  44 114.348  16.050  16.050
  305    HH   TYR  44           HH       TYR  44 113.267  14.705  14.705
  306    H    GLY  45           H        GLY  45 120.972  12.731  12.731
  307   1HA   GLY  45          2HA       GLY  45 122.119  10.712  10.712
  308   2HA   GLY  45          1HA       GLY  45 122.115  11.094  11.094
  309    H    ARG  46           H        ARG  46 119.212  10.632  10.632
  310    HA   ARG  46           HA       ARG  46 118.612   8.192   8.192
  311   1HB   ARG  46          2HB       ARG  46 117.309  10.556  10.556
  312   2HB   ARG  46          1HB       ARG  46 116.474   9.753   9.753
  313   1HG   ARG  46          2HG       ARG  46 115.220   9.129   9.129
  314   2HG   ARG  46          1HG       ARG  46 116.267   7.739   7.739
  315   1HD   ARG  46          2HD       ARG  46 116.792   8.008   8.008
  316   2HD   ARG  46          1HD       ARG  46 117.858   9.292   9.292
  317    HE   ARG  46           HE       ARG  46 116.019  10.901  10.901
  318   1HH1  ARG  46          1HH2      ARG  46 114.909   7.764   7.764
  319   2HH1  ARG  46          2HH2      ARG  46 114.082   8.207   8.207
  320   1HH2  ARG  46          2HH1      ARG  46 115.276  11.459  11.459
  321   2HH2  ARG  46          1HH1      ARG  46 114.283  10.295  10.295
  322    H    ARG  47           H        ARG  47 119.386   6.627   6.627
  323    HA   ARG  47           HA       ARG  47 119.166   6.562   6.562
  324   1HB   ARG  47          2HB       ARG  47 119.309   4.598   4.598
  325   2HB   ARG  47          1HB       ARG  47 118.965   3.967   3.967
  326   1HG   ARG  47          2HG       ARG  47 121.259   5.862   5.862
  327   2HG   ARG  47          1HG       ARG  47 121.438   4.110   4.110
  328   1HD   ARG  47          2HD       ARG  47 120.627   3.925   3.925
  329   2HD   ARG  47          1HD       ARG  47 120.545   5.695   5.695
  330    HE   ARG  47           HE       ARG  47 123.067   4.156   4.156
  331   1HH1  ARG  47          1HH2      ARG  47 121.648   6.112   6.112
  332   2HH1  ARG  47          2HH2      ARG  47 122.874   7.337   7.337
  333   1HH2  ARG  47          2HH1      ARG  47 124.518   6.092   6.092
  334   2HH2  ARG  47          1HH1      ARG  47 124.508   7.318   7.318
  335    HA   PRO  48           HA       PRO  48 114.960   5.824   5.824
  336   1HB   PRO  48          2HB       PRO  48 115.007   3.603   3.603
  337   2HB   PRO  48          1HB       PRO  48 115.553   5.209   5.209
  338   1HG   PRO  48          2HG       PRO  48 117.165   2.889   2.889
  339   2HG   PRO  48          1HG       PRO  48 117.476   4.000   4.000
  340   1HD   PRO  48          2HD       PRO  48 118.727   4.241   4.241
  341   2HD   PRO  48          1HD       PRO  48 118.302   5.654   5.654
  342    H    ILE  49           H        ILE  49 113.129   4.228   4.228
  343    HA   ILE  49           HA       ILE  49 111.919   2.664   2.664
  344    HB   ILE  49           HB       ILE  49 114.670   1.413   1.413
  345   1HG1  ILE  49          2HG1      ILE  49 112.663   1.489   1.489
  346   2HG1  ILE  49          1HG1      ILE  49 114.393   1.169   1.169
  347   1HG2  ILE  49          2HG2      ILE  49 112.781   0.760   0.760
  348   2HG2  ILE  49          1HG2      ILE  49 111.969   0.069   0.069
  349   3HG2  ILE  49          3HG2      ILE  49 113.540  -0.553  -0.553
  350   1HD1  ILE  49          2HD1      ILE  49 113.810  -1.102  -1.102
  351   2HD1  ILE  49          1HD1      ILE  49 112.153  -0.753  -0.753
  352   3HD1  ILE  49          3HD1      ILE  49 113.421  -0.903  -0.903
  353    H    GLN  50           H        GLN  50 115.088   2.955   2.955
  354    HA   GLN  50           HA       GLN  50 114.192   2.904   2.904
  355   1HB   GLN  50          2HB       GLN  50 116.549   3.074   3.074
  356   2HB   GLN  50          1HB       GLN  50 116.269   4.743   4.743
  357   1HG   GLN  50          2HG       GLN  50 115.680   5.314   5.314
  358   2HG   GLN  50          1HG       GLN  50 116.027   3.653   3.653
  359   1HE2  GLN  50          1HE2      GLN  50 118.377   2.946   2.946
  360   2HE2  GLN  50          2HE2      GLN  50 119.608   4.069   4.069
  361    H    VAL  51           H        VAL  51 113.800   5.452   5.452
  362    HA   VAL  51           HA       VAL  51 112.396   7.117   7.117
  363    HB   VAL  51           HB       VAL  51 114.534   7.953   7.953
  364   1HG1  VAL  51          1HG1      VAL  51 113.188   7.119   7.119
  365   2HG1  VAL  51          3HG1      VAL  51 113.319   8.876   8.876
  366   3HG1  VAL  51          2HG1      VAL  51 114.767   7.890   7.890
  367   1HG2  VAL  51          2HG2      VAL  51 112.098   9.283   9.283
  368   2HG2  VAL  51          1HG2      VAL  51 113.710   9.995   9.995
  369   3HG2  VAL  51          3HG2      VAL  51 112.704   9.967   9.967
  370    H    MET  52           H        MET  52 110.992   4.993   4.993
  371    HA   MET  52           HA       MET  52 109.377   6.407   6.407
  372   1HB   MET  52          2HB       MET  52 108.556   4.108   4.108
  373   2HB   MET  52          1HB       MET  52 110.311   4.224   4.224
  374   1HG   MET  52          2HG       MET  52 110.493   2.556   2.556
  375   2HG   MET  52          1HG       MET  52 109.710   3.571   3.571
  376   1HE   MET  52          1HE       MET  52 110.033   0.619   0.619
  377   2HE   MET  52          3HE       MET  52 108.862   0.598   0.598
  378   3HE   MET  52          2HE       MET  52 108.537  -0.300  -0.300
  379    H    MET  53           H        MET  53 109.203   6.999   6.999
  380    HA   MET  53           HA       MET  53 107.470   7.513   7.513
  381   1HB   MET  53          2HB       MET  53 106.259   7.476   7.476
  382   2HB   MET  53          1HB       MET  53 105.498   6.036   6.036
  383   1HG   MET  53          2HG       MET  53 104.866   7.396   7.396
  384   2HG   MET  53          1HG       MET  53 105.502   8.822   8.822
  385   1HE   MET  53          1HE       MET  53 103.653   5.718   5.718
  386   2HE   MET  53          3HE       MET  53 102.026   6.143   6.143
  387   3HE   MET  53          2HE       MET  53 103.334   5.967   5.967
  388    H    MET  54           H        MET  54 108.412   4.394   4.394
  389    HA   MET  54           HA       MET  54 108.143   2.257   2.257
  390   1HB   MET  54          2HB       MET  54 108.484   4.358   4.358
  391   2HB   MET  54          1HB       MET  54 107.981   2.772   2.772
  392   1HG   MET  54          2HG       MET  54 110.474   3.065   3.065
  393   2HG   MET  54          1HG       MET  54 109.888   1.704   1.704
  394   1HE   MET  54          1HE       MET  54 110.720   1.105   1.105
  395   2HE   MET  54          3HE       MET  54 110.817   1.924   1.924
  396   3HE   MET  54          2HE       MET  54 112.233   1.839   1.839
  397    H    GLY  55           H        GLY  55 105.598   3.781   3.781
  398   1HA   GLY  55          2HA       GLY  55 103.765   2.164   2.164
  399   2HA   GLY  55          1HA       GLY  55 103.391   3.853   3.853
  400    H    SER  56           H        SER  56 105.007   2.103   2.103
  401    HA   SER  56           HA       SER  56 102.535   1.248   1.248
  402   1HB   SER  56          2HB       SER  56 103.816   3.822   3.822
  403   2HB   SER  56          1HB       SER  56 103.838   2.884   2.884
  404    HG   SER  56           HG       SER  56 101.819   4.201   4.201
  405    H    ALA  57           H        ALA  57 103.956  -0.750  -0.750
  406    HA   ALA  57           HA       ALA  57 106.474  -1.309  -1.309
  407   1HB   ALA  57          3HB       ALA  57 104.931  -2.849  -2.849
  408   2HB   ALA  57          2HB       ALA  57 103.980  -3.032  -3.032
  409   3HB   ALA  57          1HB       ALA  57 105.642  -3.614  -3.614
  410    H    ARG  58           H        ARG  58 103.499  -0.723  -0.723
  411    HA   ARG  58           HA       ARG  58 103.946  -1.768  -1.768
  412   1HB   ARG  58          2HB       ARG  58 102.381   0.238   0.238
  413   2HB   ARG  58          1HB       ARG  58 103.070   0.982   0.982
  414   1HG   ARG  58          2HG       ARG  58 101.822  -0.282  -0.282
  415   2HG   ARG  58          1HG       ARG  58 102.024  -1.739  -1.739
  416   1HD   ARG  58          2HD       ARG  58  99.932  -1.452  -1.452
  417   2HD   ARG  58          1HD       ARG  58 100.419   0.127   0.127
  418    HE   ARG  58           HE       ARG  58  99.936   0.207   0.207
  419   1HH1  ARG  58          1HH2      ARG  58  97.466  -0.931  -0.931
  420   2HH1  ARG  58          2HH2      ARG  58  96.544   0.515   0.515
  421   1HH2  ARG  58          2HH1      ARG  58  99.211   2.637   2.637
  422   2HH2  ARG  58          1HH1      ARG  58  97.534   2.538   2.538
  423    H    VAL  59           H        VAL  59 105.145   1.366   1.366
  424    HA   VAL  59           HA       VAL  59 106.632   2.187   2.187
  425    HB   VAL  59           HB       VAL  59 107.188   2.575   2.575
  426   1HG1  VAL  59          3HG1      VAL  59 108.556   3.477   3.477
  427   2HG1  VAL  59          2HG1      VAL  59 107.907   4.850   4.850
  428   3HG1  VAL  59          1HG1      VAL  59 108.998   3.718   3.718
  429   1HG2  VAL  59          2HG2      VAL  59 105.460   4.073   4.073
  430   2HG2  VAL  59          1HG2      VAL  59 104.948   3.314   3.314
  431   3HG2  VAL  59          3HG2      VAL  59 105.956   4.759   4.759
  432    H    ALA  60           H        ALA  60 108.047   0.722   0.722
  433    HA   ALA  60           HA       ALA  60 110.608   0.171   0.171
  434   1HB   ALA  60          3HB       ALA  60 108.678  -1.394  -1.394
  435   2HB   ALA  60          2HB       ALA  60 110.365  -1.876  -1.876
  436   3HB   ALA  60          1HB       ALA  60 109.967  -0.309  -0.309
  437    H    GLU  61           H        GLU  61 107.800  -2.034  -2.034
  438    HA   GLU  61           HA       GLU  61 108.873  -4.161  -4.161
  439   1HB   GLU  61          2HB       GLU  61 106.420  -3.389  -3.389
  440   2HB   GLU  61          1HB       GLU  61 106.408  -2.799  -2.799
  441   1HG   GLU  61          2HG       GLU  61 107.181  -5.629  -5.629
  442   2HG   GLU  61          1HG       GLU  61 105.549  -5.163  -5.163
  443    H    LEU  62           H        LEU  62 107.750  -1.126  -1.126
  444    HA   LEU  62           HA       LEU  62 108.634  -1.674  -1.674
  445   1HB   LEU  62          2HB       LEU  62 107.279   0.153   0.153
  446   2HB   LEU  62          1HB       LEU  62 107.684   0.555   0.555
  447    HG   LEU  62           HG       LEU  62 109.791   1.570   1.570
  448   1HD1  LEU  62          1HD1      LEU  62 109.057   0.202   0.202
  449   2HD1  LEU  62          3HD1      LEU  62 109.477   1.892   1.892
  450   3HD1  LEU  62          2HD1      LEU  62 110.625   0.815   0.815
  451   1HD2  LEU  62          2HD2      LEU  62 107.143   2.455   2.455
  452   2HD2  LEU  62          1HD2      LEU  62 108.236   3.254   3.254
  453   3HD2  LEU  62          3HD2      LEU  62 108.567   3.303   3.303
  454    H    LEU  63           H        LEU  63 110.245   0.269   0.269
  455    HA   LEU  63           HA       LEU  63 112.664   0.709   0.709
  456   1HB   LEU  63          2HB       LEU  63 111.713   0.873   0.873
  457   2HB   LEU  63          1HB       LEU  63 113.439   1.018   1.018
  458    HG   LEU  63           HG       LEU  63 111.736   2.610   2.610
  459   1HD1  LEU  63          3HD1      LEU  63 111.951   3.277   3.277
  460   2HD1  LEU  63          2HD1      LEU  63 111.336   4.366   4.366
  461   3HD1  LEU  63          1HD1      LEU  63 110.467   2.878   2.878
  462   1HD2  LEU  63          1HD2      LEU  63 114.376   2.695   2.695
  463   2HD2  LEU  63          3HD2      LEU  63 113.892   3.305   3.305
  464   3HD2  LEU  63          2HD2      LEU  63 113.583   4.265   4.265
  465    H    LEU  64           H        LEU  64 111.944  -1.623  -1.623
  466    HA   LEU  64           HA       LEU  64 114.392  -2.944  -2.944
  467   1HB   LEU  64          2HB       LEU  64 111.833  -3.229  -3.229
  468   2HB   LEU  64          1HB       LEU  64 112.010  -4.687  -4.687
  469    HG   LEU  64           HG       LEU  64 114.418  -4.199  -4.199
  470   1HD1  LEU  64          1HD1      LEU  64 111.772  -4.194  -4.194
  471   2HD1  LEU  64          3HD1      LEU  64 113.228  -4.826  -4.826
  472   3HD1  LEU  64          2HD1      LEU  64 113.166  -3.142  -3.142
  473   1HD2  LEU  64          2HD2      LEU  64 112.603  -6.362  -6.362
  474   2HD2  LEU  64          1HD2      LEU  64 114.329  -6.420  -6.420
  475   3HD2  LEU  64          3HD2      LEU  64 113.158  -6.516  -6.516
  476    H    LEU  65           H        LEU  65 111.697  -4.072  -4.072
  477    HA   LEU  65           HA       LEU  65 113.225  -6.007  -6.007
  478   1HB   LEU  65          2HB       LEU  65 111.346  -6.126  -6.126
  479   2HB   LEU  65          1HB       LEU  65 110.661  -5.449  -5.449
  480    HG   LEU  65           HG       LEU  65 111.368  -3.158  -3.158
  481   1HD1  LEU  65          3HD1      LEU  65 111.218  -5.230  -5.230
  482   2HD1  LEU  65          2HD1      LEU  65 110.584  -3.618  -3.618
  483   3HD1  LEU  65          1HD1      LEU  65 112.274  -3.823  -3.823
  484   1HD2  LEU  65          3HD2      LEU  65 109.080  -3.913  -3.913
  485   2HD2  LEU  65          2HD2      LEU  65 109.066  -2.944  -2.944
  486   3HD2  LEU  65          1HD2      LEU  65 108.887  -4.696  -4.696
  487    H    HIS  66           H        HIS  66 113.148  -2.538  -2.538
  488    HA   HIS  66           HA       HIS  66 114.469  -2.394  -2.394
  489   1HB   HIS  66          2HB       HIS  66 113.086  -0.728  -0.728
  490   2HB   HIS  66          1HB       HIS  66 114.496   0.056   0.056
  491    HD1  HIS  66           HD1      HIS  66 111.040  -0.858  -0.858
  492    HD2  HIS  66           HD2      HIS  66 114.449   0.124   0.124
  493    HE1  HIS  66           HE1      HIS  66 110.260  -0.331  -0.331
  494    H    GLY  67           H        GLY  67 115.464  -3.105  -3.105
  495   1HA   GLY  67          2HA       GLY  67 117.666  -3.472  -3.472
  496   2HA   GLY  67          1HA       GLY  67 118.241  -2.593  -2.593
  497    H    ALA  68           H        ALA  68 115.977  -1.579  -1.579
  498    HA   ALA  68           HA       ALA  68 117.091   1.062   1.062
  499   1HB   ALA  68          2HB       ALA  68 114.879  -0.306  -0.306
  500   2HB   ALA  68          1HB       ALA  68 115.796  -0.122  -0.122
  501   3HB   ALA  68          3HB       ALA  68 115.337   1.302   1.302
  502    H    GLU  69           H        GLU  69 117.277   0.983   0.983
  503    HA   GLU  69           HA       GLU  69 119.988  -0.275  -0.275
  504   1HB   GLU  69          2HB       GLU  69 119.495   2.341   2.341
  505   2HB   GLU  69          1HB       GLU  69 119.131   2.070   2.070
  506   1HG   GLU  69          2HG       GLU  69 121.440   2.531   2.531
  507   2HG   GLU  69          1HG       GLU  69 121.369   0.769   0.769
  508    HA   PRO  70           HA       PRO  70 117.071  -1.882  -1.882
  509   1HB   PRO  70          2HB       PRO  70 117.260  -4.533  -4.533
  510   2HB   PRO  70          1HB       PRO  70 116.046  -3.459  -3.459
  511   1HG   PRO  70          2HG       PRO  70 118.619  -4.440  -4.440
  512   2HG   PRO  70          1HG       PRO  70 117.060  -4.192  -4.192
  513   1HD   PRO  70          2HD       PRO  70 119.160  -2.454  -2.454
  514   2HD   PRO  70          1HD       PRO  70 117.457  -1.972  -1.972
  515    H    ASN  71           H        ASN  71 120.135  -3.150  -3.150
  516    HA   ASN  71           HA       ASN  71 120.926  -4.295  -4.295
  517   1HB   ASN  71          2HB       ASN  71 122.720  -3.856  -3.856
  518   2HB   ASN  71          1HB       ASN  71 122.750  -5.171  -5.171
  519   1HD2  ASN  71          1HD2      ASN  71 121.451  -4.143  -4.143
  520   2HD2  ASN  71          2HD2      ASN  71 120.466  -5.496  -5.496
  521    H    CYS  72           H        CYS  72 122.664  -2.024  -2.024
  522    HA   CYS  72           HA       CYS  72 124.421  -0.920  -0.920
  523   1HB   CYS  72          2HB       CYS  72 123.865  -0.561  -0.561
  524   2HB   CYS  72          1HB       CYS  72 123.111   0.897   0.897
  525    HG   CYS  72           HG       CYS  72 125.924   0.851   0.851
  526    H    ALA  73           H        ALA  73 124.330   0.746   0.746
  527    HA   ALA  73           HA       ALA  73 121.620   1.887   1.887
  528   1HB   ALA  73          3HB       ALA  73 122.914   0.055   0.055
  529   2HB   ALA  73          2HB       ALA  73 123.683   1.502   1.502
  530   3HB   ALA  73          1HB       ALA  73 121.935   1.315   1.315
  531    H    ASP  74           H        ASP  74 122.744   3.554   3.554
  532    HA   ASP  74           HA       ASP  74 124.084   5.603   5.603
  533   1HB   ASP  74          2HB       ASP  74 121.859   5.665   5.665
  534   2HB   ASP  74          1HB       ASP  74 123.104   6.305   6.305
  535    HA   PRO  75           HA       PRO  75 127.779   5.052   5.052
  536   1HB   PRO  75          2HB       PRO  75 128.907   7.532   7.532
  537   2HB   PRO  75          1HB       PRO  75 128.858   6.334   6.334
  538   1HG   PRO  75          2HG       PRO  75 127.106   8.695   8.695
  539   2HG   PRO  75          1HG       PRO  75 127.773   8.070   8.070
  540   1HD   PRO  75          2HD       PRO  75 125.205   7.640   7.640
  541   2HD   PRO  75          1HD       PRO  75 126.111   6.505   6.505
  542    H    ALA  76           H        ALA  76 125.461   7.573   7.573
  543    HA   ALA  76           HA       ALA  76 126.375   8.887   8.887
  544   1HB   ALA  76          2HB       ALA  76 123.724   7.883   7.883
  545   2HB   ALA  76          1HB       ALA  76 123.800   8.613   8.613
  546   3HB   ALA  76          3HB       ALA  76 124.281   9.545   9.545
  547    H    THR  77           H        THR  77 124.070   6.205   6.205
  548    HA   THR  77           HA       THR  77 125.815   5.047   5.047
  549    HB   THR  77           HB       THR  77 123.901   4.887   4.887
  550    HG1  THR  77           HG1      THR  77 121.859   5.629   5.629
  551   1HG2  THR  77          1HG2      THR  77 125.003   7.279   7.279
  552   2HG2  THR  77          3HG2      THR  77 123.293   7.594   7.594
  553   3HG2  THR  77          2HG2      THR  77 123.828   7.081   7.081
  554    H    LEU  78           H        LEU  78 125.576   4.182   4.182
  555    HA   LEU  78           HA       LEU  78 124.977   2.332   2.332
  556   1HB   LEU  78          2HB       LEU  78 125.864   1.529   1.529
  557   2HB   LEU  78          1HB       LEU  78 125.068   0.255   0.255
  558    HG   LEU  78           HG       LEU  78 127.559   1.803   1.803
  559   1HD1  LEU  78          2HD1      LEU  78 127.492  -0.388  -0.388
  560   2HD1  LEU  78          1HD1      LEU  78 127.098  -1.171  -1.171
  561   3HD1  LEU  78          3HD1      LEU  78 128.618  -0.295  -0.295
  562   1HD2  LEU  78          1HD2      LEU  78 125.582   0.399   0.399
  563   2HD2  LEU  78          3HD2      LEU  78 126.594   1.801   1.801
  564   3HD2  LEU  78          2HD2      LEU  78 127.298   0.183   0.183
  565    H    THR  79           H        THR  79 122.615   3.694   3.694
  566    HA   THR  79           HA       THR  79 120.709   1.771   1.771
  567    HB   THR  79           HB       THR  79 120.592   4.525   4.525
  568    HG1  THR  79           HG1      THR  79 120.647   3.427   3.427
  569   1HG2  THR  79          3HG2      THR  79 118.272   2.912   2.912
  570   2HG2  THR  79          2HG2      THR  79 118.204   4.606   4.606
  571   3HG2  THR  79          1HG2      THR  79 118.504   3.351   3.351
  572    H    ARG  80           H        ARG  80 120.397  -0.025  -0.025
  573    HA   ARG  80           HA       ARG  80 120.291   0.198   0.198
  574   1HB   ARG  80          2HB       ARG  80 120.766  -1.782  -1.782
  575   2HB   ARG  80          1HB       ARG  80 119.109  -2.152  -2.152
  576   1HG   ARG  80          2HG       ARG  80 119.697  -2.752  -2.752
  577   2HG   ARG  80          1HG       ARG  80 120.931  -1.499  -1.499
  578   1HD   ARG  80          2HD       ARG  80 121.438  -3.769  -3.769
  579   2HD   ARG  80          1HD       ARG  80 121.619  -4.067  -4.067
  580    HE   ARG  80           HE       ARG  80 122.958  -1.714  -1.714
  581   1HH1  ARG  80          2HH1      ARG  80 123.866  -4.807  -4.807
  582   2HH1  ARG  80          1HH1      ARG  80 125.107  -4.564  -4.564
  583   1HH2  ARG  80          1HH2      ARG  80 124.182  -1.297  -1.297
  584   2HH2  ARG  80          2HH2      ARG  80 125.292  -2.577  -2.577
  585    HA   PRO  81           HA       PRO  81 116.000   1.196   1.196
  586   1HB   PRO  81          2HB       PRO  81 115.312  -0.321  -0.321
  587   2HB   PRO  81          1HB       PRO  81 116.261   1.176   1.176
  588   1HG   PRO  81          2HG       PRO  81 117.210  -1.659  -1.659
  589   2HG   PRO  81          1HG       PRO  81 117.707  -0.329  -0.329
  590   1HD   PRO  81          2HD       PRO  81 119.201  -1.047  -1.047
  591   2HD   PRO  81          1HD       PRO  81 119.022   0.664   0.664
  592    H    VAL  82           H        VAL  82 117.156  -2.002  -2.002
  593    HA   VAL  82           HA       VAL  82 114.745  -3.517  -3.517
  594    HB   VAL  82           HB       VAL  82 117.506  -3.590  -3.590
  595   1HG1  VAL  82          3HG1      VAL  82 115.158  -5.373  -5.373
  596   2HG1  VAL  82          2HG1      VAL  82 116.806  -5.983  -5.983
  597   3HG1  VAL  82          1HG1      VAL  82 116.306  -4.641  -4.641
  598   1HG2  VAL  82          1HG2      VAL  82 116.695  -4.241  -4.241
  599   2HG2  VAL  82          3HG2      VAL  82 117.957  -5.150  -5.150
  600   3HG2  VAL  82          2HG2      VAL  82 116.303  -5.761  -5.761
  601    H    HIS  83           H        HIS  83 116.358  -1.307  -1.307
  602    HA   HIS  83           HA       HIS  83 114.726  -1.924  -1.924
  603   1HB   HIS  83          2HB       HIS  83 116.362   0.518   0.518
  604   2HB   HIS  83          1HB       HIS  83 115.756   0.181   0.181
  605    HD2  HIS  83           HD2      HIS  83 117.876  -0.892  -0.892
  606    HE1  HIS  83           HE1      HIS  83 119.523  -3.299  -3.299
  607    HE2  HIS  83           HE2      HIS  83 119.715  -2.597  -2.597
  608    H    ASP  84           H        ASP  84 114.543   0.385   0.385
  609    HA   ASP  84           HA       ASP  84 112.488   2.100   2.100
  610   1HB   ASP  84          2HB       ASP  84 113.793   1.315   1.315
  611   2HB   ASP  84          1HB       ASP  84 112.076   1.598   1.598
  612    H    ALA  85           H        ALA  85 112.196  -1.006  -1.006
  613    HA   ALA  85           HA       ALA  85 109.358  -1.110  -1.110
  614   1HB   ALA  85          2HB       ALA  85 111.392  -2.608  -2.608
  615   2HB   ALA  85          1HB       ALA  85 110.990  -3.566  -3.566
  616   3HB   ALA  85          3HB       ALA  85 109.777  -3.289  -3.289
  617    H    ALA  86           H        ALA  86 111.479  -2.713  -2.713
  618    HA   ALA  86           HA       ALA  86 109.344  -3.410  -3.410
  619   1HB   ALA  86          3HB       ALA  86 111.929  -4.116  -4.116
  620   2HB   ALA  86          2HB       ALA  86 112.127  -3.080  -3.080
  621   3HB   ALA  86          1HB       ALA  86 111.070  -4.489  -4.489
  622    H    ARG  87           H        ARG  87 111.046  -0.456  -0.456
  623    HA   ARG  87           HA       ARG  87 110.720   0.633   0.633
  624   1HB   ARG  87          2HB       ARG  87 112.578   1.392   1.392
  625   2HB   ARG  87          1HB       ARG  87 111.578   1.650   1.650
  626   1HG   ARG  87          2HG       ARG  87 112.081   3.813   3.813
  627   2HG   ARG  87          1HG       ARG  87 110.381   3.475   3.475
  628   1HD   ARG  87          2HD       ARG  87 110.704   3.330   3.330
  629   2HD   ARG  87          1HD       ARG  87 112.283   2.538   2.538
  630    HE   ARG  87           HE       ARG  87 112.397   5.249   5.249
  631   1HH1  ARG  87          2HH1      ARG  87 111.101   5.709   5.709
  632   2HH1  ARG  87          1HH1      ARG  87 112.454   5.818   5.818
  633   1HH2  ARG  87          1HH2      ARG  87 114.675   4.354   4.354
  634   2HH2  ARG  87          2HH2      ARG  87 114.476   5.047   5.047
  635    H    GLU  88           H        GLU  88 108.863   0.440   0.440
  636    HA   GLU  88           HA       GLU  88 106.879   2.402   2.402
  637   1HB   GLU  88          2HB       GLU  88 108.143   2.010   2.010
  638   2HB   GLU  88          1HB       GLU  88 106.434   1.635   1.635
  639   1HG   GLU  88          2HG       GLU  88 107.480   4.159   4.159
  640   2HG   GLU  88          1HG       GLU  88 106.945   4.055   4.055
  641    H    GLY  89           H        GLY  89 107.456  -0.929  -0.929
  642   1HA   GLY  89          2HA       GLY  89 106.052  -2.744  -2.744
  643   2HA   GLY  89          1HA       GLY  89 104.752  -1.595  -1.595
  644    H    PHE  90           H        PHE  90 106.681  -2.637  -2.637
  645    HA   PHE  90           HA       PHE  90 104.092  -3.019  -3.019
  646   1HB   PHE  90          2HB       PHE  90 105.602  -0.824  -0.824
  647   2HB   PHE  90          1HB       PHE  90 106.455  -1.895  -1.895
  648    HD1  PHE  90           HD1      PHE  90 104.781  -3.396  -3.396
  649    HD2  PHE  90           HD2      PHE  90 103.842   0.406   0.406
  650    HE1  PHE  90           HE1      PHE  90 102.983  -3.072  -3.072
  651    HE2  PHE  90           HE2      PHE  90 102.038   0.726   0.726
  652    HZ   PHE  90           HZ       PHE  90 101.620  -1.013  -1.013
  653    H    LEU  91           H        LEU  91 104.491  -5.332  -5.332
  654    HA   LEU  91           HA       LEU  91 106.871  -6.722  -6.722
  655   1HB   LEU  91          2HB       LEU  91 104.237  -7.250  -7.250
  656   2HB   LEU  91          1HB       LEU  91 104.479  -8.252  -8.252
  657    HG   LEU  91           HG       LEU  91 105.196  -9.373  -9.373
  658   1HD1  LEU  91          2HD1      LEU  91 106.704  -9.041  -9.041
  659   2HD1  LEU  91          1HD1      LEU  91 107.797  -9.334  -9.334
  660   3HD1  LEU  91          3HD1      LEU  91 106.510 -10.483 -10.483
  661   1HD2  LEU  91          1HD2      LEU  91 106.402  -6.834  -6.834
  662   2HD2  LEU  91          3HD2      LEU  91 106.444  -8.246  -8.246
  663   3HD2  LEU  91          2HD2      LEU  91 107.712  -8.005  -8.005
  664    H    ASP  92           H        ASP  92 104.021  -5.885  -5.885
  665    HA   ASP  92           HA       ASP  92 104.471  -7.320  -7.320
  666   1HB   ASP  92          2HB       ASP  92 103.201  -4.844  -4.844
  667   2HB   ASP  92          1HB       ASP  92 103.835  -4.701  -4.701
  668    H    THR  93           H        THR  93 106.200  -4.425  -4.425
  669    HA   THR  93           HA       THR  93 107.831  -4.138  -4.138
  670    HB   THR  93           HB       THR  93 107.915  -3.085  -3.085
  671    HG1  THR  93           HG1      THR  93 106.389  -2.051  -2.051
  672   1HG2  THR  93          3HG2      THR  93 109.906  -2.808  -2.808
  673   2HG2  THR  93          2HG2      THR  93 109.610  -1.424  -1.424
  674   3HG2  THR  93          1HG2      THR  93 110.182  -2.944  -2.944
  675    H    LEU  94           H        LEU  94 108.273  -5.563  -5.563
  676    HA   LEU  94           HA       LEU  94 110.988  -6.380  -6.380
  677   1HB   LEU  94          2HB       LEU  94 108.545  -7.230  -7.230
  678   2HB   LEU  94          1HB       LEU  94 109.977  -8.256  -8.256
  679    HG   LEU  94           HG       LEU  94 111.005  -5.692  -5.692
  680   1HD1  LEU  94          2HD1      LEU  94 108.712  -4.826  -4.826
  681   2HD1  LEU  94          1HD1      LEU  94 108.432  -5.983  -5.983
  682   3HD1  LEU  94          3HD1      LEU  94 109.624  -4.701  -4.701
  683   1HD2  LEU  94          1HD2      LEU  94 110.209  -7.833  -7.833
  684   2HD2  LEU  94          3HD2      LEU  94 111.789  -7.595  -7.595
  685   3HD2  LEU  94          2HD2      LEU  94 111.186  -6.431  -6.431
  686    H    VAL  95           H        VAL  95 107.974  -7.910  -7.910
  687    HA   VAL  95           HA       VAL  95 109.005 -10.443 -10.443
  688    HB   VAL  95           HB       VAL  95 106.786  -8.718  -8.718
  689   1HG1  VAL  95          1HG1      VAL  95 107.799 -11.064 -11.064
  690   2HG1  VAL  95          3HG1      VAL  95 106.506 -11.649 -11.649
  691   3HG1  VAL  95          2HG1      VAL  95 106.146 -10.497 -10.497
  692   1HG2  VAL  95          1HG2      VAL  95 107.089 -10.165 -10.165
  693   2HG2  VAL  95          3HG2      VAL  95 105.869  -8.985  -8.985
  694   3HG2  VAL  95          2HG2      VAL  95 105.668 -10.684 -10.684
  695    H    VAL  96           H        VAL  96 108.601  -7.382  -7.382
  696    HA   VAL  96           HA       VAL  96 109.593  -8.220  -8.220
  697    HB   VAL  96           HB       VAL  96 109.948  -5.491  -5.491
  698   1HG1  VAL  96          3HG1      VAL  96 110.801  -6.142  -6.142
  699   2HG1  VAL  96          2HG1      VAL  96 109.097  -6.137  -6.137
  700   3HG1  VAL  96          1HG1      VAL  96 109.851  -4.667  -4.667
  701   1HG2  VAL  96          3HG2      VAL  96 107.479  -6.995  -6.995
  702   2HG2  VAL  96          2HG2      VAL  96 107.715  -5.514  -5.514
  703   3HG2  VAL  96          1HG2      VAL  96 107.522  -5.436  -5.436
  704    H    LEU  97           H        LEU  97 111.285  -6.608  -6.608
  705    HA   LEU  97           HA       LEU  97 113.887  -6.442  -6.442
  706   1HB   LEU  97          2HB       LEU  97 112.660  -6.987  -6.987
  707   2HB   LEU  97          1HB       LEU  97 114.416  -6.980  -6.980
  708    HG   LEU  97           HG       LEU  97 113.130  -4.688  -4.688
  709   1HD1  LEU  97          2HD1      LEU  97 111.628  -5.103  -5.103
  710   2HD1  LEU  97          1HD1      LEU  97 113.040  -4.779  -4.779
  711   3HD1  LEU  97          3HD1      LEU  97 112.404  -3.524  -3.524
  712   1HD2  LEU  97          1HD2      LEU  97 115.398  -5.208  -5.208
  713   2HD2  LEU  97          3HD2      LEU  97 115.460  -4.549  -4.549
  714   3HD2  LEU  97          2HD2      LEU  97 114.858  -3.557  -3.557
  715    H    HIS  98           H        HIS  98 112.348  -9.279  -9.279
  716    HA   HIS  98           HA       HIS  98 114.713 -10.965 -10.965
  717   1HB   HIS  98          2HB       HIS  98 112.942 -10.927 -10.927
  718   2HB   HIS  98          1HB       HIS  98 111.969 -11.895 -11.895
  719    HD1  HIS  98           HD1      HIS  98 112.290 -13.919 -13.919
  720    HD2  HIS  98           HD2      HIS  98 115.781 -12.594 -12.594
  721    HE1  HIS  98           HE1      HIS  98 114.029 -15.722 -15.722
  722    H    ARG  99           H        ARG  99 111.457 -10.572 -10.572
  723    HA   ARG  99           HA       ARG  99 111.417 -12.855 -12.855
  724   1HB   ARG  99          2HB       ARG  99 109.410 -11.628 -11.628
  725   2HB   ARG  99          1HB       ARG  99 110.173 -10.107 -10.107
  726   1HG   ARG  99          2HG       ARG  99 110.217 -10.697 -10.697
  727   2HG   ARG  99          1HG       ARG  99 109.907 -12.397 -12.397
  728   1HD   ARG  99          2HD       ARG  99 107.746 -11.831 -11.831
  729   2HD   ARG  99          1HD       ARG  99 107.696 -11.229 -11.229
  730    HE   ARG  99           HE       ARG  99 108.853  -9.254  -9.254
  731   1HH1  ARG  99          2HH1      ARG  99 106.410  -9.642  -9.642
  732   2HH1  ARG  99          1HH1      ARG  99 105.216  -8.731  -8.731
  733   1HH2  ARG  99          1HH2      ARG  99 107.090  -8.541  -8.541
  734   2HH2  ARG  99          2HH2      ARG  99 105.596  -8.119  -8.119
  735    H    ALA 100           H        ALA 100 113.375 -10.042 -10.042
  736    HA   ALA 100           HA       ALA 100 114.121 -10.827 -10.827
  737   1HB   ALA 100          1HB       ALA 100 113.048  -8.400  -8.400
  738   2HB   ALA 100          3HB       ALA 100 114.659  -8.082  -8.082
  739   3HB   ALA 100          2HB       ALA 100 113.417  -8.771  -8.771
  740    H    GLY 101           H        GLY 101 115.565  -8.353  -8.353
  741   1HA   GLY 101          2HA       GLY 101 117.801 -10.036 -10.036
  742   2HA   GLY 101          1HA       GLY 101 118.217  -8.907  -8.907
  743    H    ALA 102           H        ALA 102 117.801  -9.264  -9.264
  744    HA   ALA 102           HA       ALA 102 118.619  -6.473  -6.473
  745   1HB   ALA 102          2HB       ALA 102 115.963  -7.588  -7.588
  746   2HB   ALA 102          1HB       ALA 102 116.651  -6.063  -6.063
  747   3HB   ALA 102          3HB       ALA 102 116.195  -6.268  -6.268
  748    H    ARG 103           H        ARG 103 120.160  -6.669  -6.669
  749    HA   ARG 103           HA       ARG 103 120.438  -9.022  -9.022
  750   1HB   ARG 103          2HB       ARG 103 122.277  -7.637  -7.637
  751   2HB   ARG 103          1HB       ARG 103 121.761  -6.292  -6.292
  752   1HG   ARG 103          2HG       ARG 103 122.134  -7.721  -7.721
  753   2HG   ARG 103          1HG       ARG 103 122.770  -8.986  -8.986
  754   1HD   ARG 103          2HD       ARG 103 124.659  -7.714  -7.714
  755   2HD   ARG 103          1HD       ARG 103 123.896  -6.192  -6.192
  756    HE   ARG 103           HE       ARG 103 124.436  -6.697  -6.697
  757   1HH1  ARG 103          1HH2      ARG 103 126.219  -8.638  -8.638
  758   2HH1  ARG 103          2HH2      ARG 103 126.411  -9.949  -9.949
  759   1HH2  ARG 103          2HH1      ARG 103 124.097  -8.709  -8.709
  760   2HH2  ARG 103          1HH1      ARG 103 125.215  -9.986  -9.986
  761    H    LEU 104           H        LEU 104 118.742  -9.206  -9.206
  762    HA   LEU 104           HA       LEU 104 117.997  -6.803  -6.803
  763   1HB   LEU 104          2HB       LEU 104 116.834  -9.596  -9.596
  764   2HB   LEU 104          1HB       LEU 104 116.060  -8.086  -8.086
  765    HG   LEU 104           HG       LEU 104 116.753  -7.694  -7.694
  766   1HD1  LEU 104          3HD1      LEU 104 117.074 -10.308 -10.308
  767   2HD1  LEU 104          2HD1      LEU 104 115.311 -10.325 -10.325
  768   3HD1  LEU 104          1HD1      LEU 104 116.210  -9.618  -9.618
  769   1HD2  LEU 104          2HD2      LEU 104 114.317  -8.132  -8.132
  770   2HD2  LEU 104          1HD2      LEU 104 114.685  -6.849  -6.849
  771   3HD2  LEU 104          3HD2      LEU 104 114.118  -8.413  -8.413
  772    H    ASP 105           H        ASP 105 120.539  -7.469  -7.469
  773    HA   ASP 105           HA       ASP 105 120.146  -8.426  -8.426
  774   1HB   ASP 105          2HB       ASP 105 122.031 -10.198 -10.198
  775   2HB   ASP 105          1HB       ASP 105 120.344 -10.580 -10.580
  776    H    VAL 106           H        VAL 106 121.050  -5.934  -5.934
  777    HA   VAL 106           HA       VAL 106 124.015  -6.067  -6.067
  778    HB   VAL 106           HB       VAL 106 122.822  -4.981  -4.981
  779   1HG1  VAL 106          1HG1      VAL 106 122.317  -2.914  -2.914
  780   2HG1  VAL 106          3HG1      VAL 106 122.328  -2.540  -2.540
  781   3HG1  VAL 106          2HG1      VAL 106 121.140  -3.669  -3.669
  782   1HG2  VAL 106          2HG2      VAL 106 125.243  -4.582  -4.582
  783   2HG2  VAL 106          1HG2      VAL 106 124.772  -3.872  -3.872
  784   3HG2  VAL 106          3HG2      VAL 106 124.602  -2.940  -2.940
  785    H    ARG 107           H        ARG 107 124.523  -3.582  -3.582
  786    HA   ARG 107           HA       ARG 107 122.904  -3.369  -3.369
  787   1HB   ARG 107          2HB       ARG 107 125.887  -3.396  -3.396
  788   2HB   ARG 107          1HB       ARG 107 125.204  -2.778  -2.778
  789   1HG   ARG 107          2HG       ARG 107 124.141  -4.911  -4.911
  790   2HG   ARG 107          1HG       ARG 107 124.649  -5.544  -5.544
  791   1HD   ARG 107          2HD       ARG 107 127.045  -4.708  -4.708
  792   2HD   ARG 107          1HD       ARG 107 126.190  -5.293  -5.293
  793    HE   ARG 107           HE       ARG 107 125.683  -7.381  -7.381
  794   1HH1  ARG 107          1HH2      ARG 107 128.636  -5.615  -5.615
  795   2HH1  ARG 107          2HH2      ARG 107 129.484  -6.746  -6.746
  796   1HH2  ARG 107          2HH1      ARG 107 126.714  -8.737  -8.737
  797   2HH2  ARG 107          1HH1      ARG 107 128.406  -8.508  -8.508
  798    H    ASP 108           H        ASP 108 122.353  -1.260  -1.260
  799    HA   ASP 108           HA       ASP 108 122.779   0.864   0.864
  800   1HB   ASP 108          2HB       ASP 108 121.382   0.437   0.437
  801   2HB   ASP 108          1HB       ASP 108 121.679   2.101   2.101
  802    H    ALA 109           H        ALA 109 125.316   0.244   0.244
  803    HA   ALA 109           HA       ALA 109 127.369   1.111   1.111
  804   1HB   ALA 109          1HB       ALA 109 125.515   3.468   3.468
  805   2HB   ALA 109          3HB       ALA 109 127.274   3.568   3.568
  806   3HB   ALA 109          2HB       ALA 109 126.473   3.131   3.131
  807    H    TRP 110           H        TRP 110 125.110   2.697   2.697
  808    HA   TRP 110           HA       TRP 110 126.671   2.553   2.553
  809   1HB   TRP 110          2HB       TRP 110 123.674   2.170   2.170
  810   2HB   TRP 110          1HB       TRP 110 124.500   2.690   2.690
  811    HD1  TRP 110           HD1      TRP 110 122.462   4.663   4.663
  812    HE1  TRP 110           HE1      TRP 110 123.076   6.936   6.936
  813    HE3  TRP 110           HE3      TRP 110 127.255   3.691   3.691
  814    HZ2  TRP 110           HZ2      TRP 110 125.295   8.177   8.177
  815    HZ3  TRP 110           HZ3      TRP 110 128.581   5.432   5.432
  816    HH2  TRP 110           HH2      TRP 110 127.614   7.675   7.675
  817    H    GLY 111           H        GLY 111 124.285   0.112   0.112
  818   1HA   GLY 111          2HA       GLY 111 125.548  -2.232  -2.232
  819   2HA   GLY 111          1HA       GLY 111 125.208  -1.754  -1.754
  820    H    ARG 112           H        ARG 112 122.701  -0.347  -0.347
  821    HA   ARG 112           HA       ARG 112 120.734  -2.199  -2.199
  822   1HB   ARG 112          2HB       ARG 112 120.901   0.261   0.261
  823   2HB   ARG 112          1HB       ARG 112 119.395  -0.657  -0.657
  824   1HG   ARG 112          2HG       ARG 112 118.906  -0.201  -0.201
  825   2HG   ARG 112          1HG       ARG 112 120.603  -0.128  -0.128
  826   1HD   ARG 112          2HD       ARG 112 120.046   2.136   2.136
  827   2HD   ARG 112          1HD       ARG 112 120.578   2.029   2.029
  828    HE   ARG 112           HE       ARG 112 118.337   2.397   2.397
  829   1HH1  ARG 112          1HH2      ARG 112 118.415   2.294   2.294
  830   2HH1  ARG 112          2HH2      ARG 112 116.761   1.816   1.816
  831   1HH2  ARG 112          2HH1      ARG 112 116.247   1.249   1.249
  832   2HH2  ARG 112          1HH1      ARG 112 115.529   1.227   1.227
  833    H    LEU 113           H        LEU 113 119.056  -3.182  -3.182
  834    HA   LEU 113           HA       LEU 113 120.307  -4.204  -4.204
  835   1HB   LEU 113          2HB       LEU 113 118.922  -5.650  -5.650
  836   2HB   LEU 113          1HB       LEU 113 119.118  -6.390  -6.390
  837    HG   LEU 113           HG       LEU 113 121.336  -5.394  -5.394
  838   1HD1  LEU 113          3HD1      LEU 113 120.434  -8.148  -8.148
  839   2HD1  LEU 113          2HD1      LEU 113 121.987  -7.838  -7.838
  840   3HD1  LEU 113          1HD1      LEU 113 120.486  -7.514  -7.514
  841   1HD2  LEU 113          2HD2      LEU 113 121.272  -6.288  -6.288
  842   2HD2  LEU 113          1HD2      LEU 113 122.216  -4.995  -4.995
  843   3HD2  LEU 113          3HD2      LEU 113 122.682  -6.679  -6.679
  844    HA   PRO 114           HA       PRO 114 116.446  -3.348  -3.348
  845   1HB   PRO 114          2HB       PRO 114 115.995  -5.561  -5.561
  846   2HB   PRO 114          1HB       PRO 114 117.232  -4.346  -4.346
  847   1HG   PRO 114          2HG       PRO 114 117.540  -7.003  -7.003
  848   2HG   PRO 114          1HG       PRO 114 118.556  -6.227  -6.227
  849   1HD   PRO 114          2HD       PRO 114 119.217  -6.273  -6.273
  850   2HD   PRO 114          1HD       PRO 114 119.661  -4.929  -4.929
  851    H    VAL 115           H        VAL 115 116.671  -6.670  -6.670
  852    HA   VAL 115           HA       VAL 115 113.819  -7.028  -7.028
  853    HB   VAL 115           HB       VAL 115 115.356  -8.900  -8.900
  854   1HG1  VAL 115          3HG1      VAL 115 116.726  -7.576  -7.576
  855   2HG1  VAL 115          2HG1      VAL 115 116.862  -9.322  -9.322
  856   3HG1  VAL 115          1HG1      VAL 115 117.424  -8.245  -8.245
  857   1HG2  VAL 115          1HG2      VAL 115 113.379  -8.745  -8.745
  858   2HG2  VAL 115          3HG2      VAL 115 114.220 -10.226 -10.226
  859   3HG2  VAL 115          2HG2      VAL 115 114.757  -9.307  -9.307
  860    H    ASP 116           H        ASP 116 116.361  -5.577  -5.577
  861    HA   ASP 116           HA       ASP 116 115.023  -5.710  -5.710
  862   1HB   ASP 116          2HB       ASP 116 117.477  -5.019  -5.019
  863   2HB   ASP 116          1HB       ASP 116 116.788  -3.410  -3.410
  864    H    LEU 117           H        LEU 117 115.385  -2.923  -2.923
  865    HA   LEU 117           HA       LEU 117 113.736  -1.048  -1.048
  866   1HB   LEU 117          2HB       LEU 117 115.014  -1.398  -1.398
  867   2HB   LEU 117          1HB       LEU 117 113.322  -1.339  -1.339
  868    HG   LEU 117           HG       LEU 117 114.649   0.713   0.713
  869   1HD1  LEU 117          2HD1      LEU 117 114.120   0.659   0.659
  870   2HD1  LEU 117          1HD1      LEU 117 114.328   2.171   2.171
  871   3HD1  LEU 117          3HD1      LEU 117 115.640   0.994   0.994
  872   1HD2  LEU 117          1HD2      LEU 117 111.936   0.525   0.525
  873   2HD2  LEU 117          3HD2      LEU 117 112.274   0.609   0.609
  874   3HD2  LEU 117          2HD2      LEU 117 112.568   2.014   2.014
  875    H    ALA 118           H        ALA 118 112.574  -3.308  -3.308
  876    HA   ALA 118           HA       ALA 118 109.833  -2.829  -2.829
  877   1HB   ALA 118          2HB       ALA 118 111.586  -4.682  -4.682
  878   2HB   ALA 118          1HB       ALA 118 110.529  -5.678  -5.678
  879   3HB   ALA 118          3HB       ALA 118 109.842  -4.653  -4.653
  880    H    GLU 119           H        GLU 119 111.581  -5.263  -5.263
  881    HA   GLU 119           HA       GLU 119 109.400  -6.103  -6.103
  882   1HB   GLU 119          2HB       GLU 119 112.149  -6.544  -6.544
  883   2HB   GLU 119          1HB       GLU 119 111.967  -5.898  -5.898
  884   1HG   GLU 119          2HG       GLU 119 109.883  -7.844  -7.844
  885   2HG   GLU 119          1HG       GLU 119 111.489  -8.540  -8.540
  886    H    GLU 120           H        GLU 120 111.471  -3.263  -3.263
  887    HA   GLU 120           HA       GLU 120 110.550  -2.430  -2.430
  888   1HB   GLU 120          2HB       GLU 120 112.625  -1.856  -1.856
  889   2HB   GLU 120          1HB       GLU 120 111.677  -0.371  -0.371
  890   1HG   GLU 120          2HG       GLU 120 113.105  -0.049  -0.049
  891   2HG   GLU 120          1HG       GLU 120 111.726  -0.803  -0.803
  892    H    LEU 121           H        LEU 121 109.542  -1.909  -1.909
  893    HA   LEU 121           HA       LEU 121 107.725   0.299   0.299
  894   1HB   LEU 121          2HB       LEU 121 108.769  -0.998  -0.998
  895   2HB   LEU 121          1HB       LEU 121 107.233  -0.144  -0.144
  896    HG   LEU 121           HG       LEU 121 109.821   1.035   1.035
  897   1HD1  LEU 121          2HD1      LEU 121 109.508   0.564   0.564
  898   2HD1  LEU 121          1HD1      LEU 121 108.320   1.868   1.868
  899   3HD1  LEU 121          3HD1      LEU 121 110.001   2.185   2.185
  900   1HD2  LEU 121          3HD2      LEU 121 106.982   1.942   1.942
  901   2HD2  LEU 121          2HD2      LEU 121 108.260   2.324   2.324
  902   3HD2  LEU 121          1HD2      LEU 121 108.207   3.143   3.143
  903    H    GLY 122           H        GLY 122 107.595  -3.034  -3.034
  904   1HA   GLY 122          2HA       GLY 122 105.689  -4.330  -4.330
  905   2HA   GLY 122          1HA       GLY 122 104.657  -2.991  -2.991
  906    H    HIS 123           H        HIS 123 107.188  -4.056  -4.056
  907    HA   HIS 123           HA       HIS 123 105.119  -4.931  -4.931
  908   1HB   HIS 123          2HB       HIS 123 108.102  -4.387  -4.387
  909   2HB   HIS 123          1HB       HIS 123 107.062  -4.755  -4.755
  910    HD1  HIS 123           HD1      HIS 123 107.645  -2.335  -2.335
  911    HD2  HIS 123           HD2      HIS 123 105.510  -2.346  -2.346
  912    HE1  HIS 123           HE1      HIS 123 106.766   0.018   0.018
  913    H    ARG 124           H        ARG 124 105.377  -6.781  -6.781
  914    HA   ARG 124           HA       ARG 124 107.268  -8.800  -8.800
  915   1HB   ARG 124          2HB       ARG 124 104.243  -8.871  -8.871
  916   2HB   ARG 124          1HB       ARG 124 105.222 -10.305 -10.305
  917   1HG   ARG 124          2HG       ARG 124 105.684  -7.713  -7.713
  918   2HG   ARG 124          1HG       ARG 124 104.537  -8.922  -8.922
  919   1HD   ARG 124          2HD       ARG 124 107.250  -9.914  -9.914
  920   2HD   ARG 124          1HD       ARG 124 107.110  -8.976  -8.976
  921    HE   ARG 124           HE       ARG 124 105.556 -11.459 -11.459
  922   1HH1  ARG 124          2HH1      ARG 124 104.712  -9.092  -9.092
  923   2HH1  ARG 124          1HH1      ARG 124 105.076  -9.852  -9.852
  924   1HH2  ARG 124          1HH2      ARG 124 106.914 -12.422 -12.422
  925   2HH2  ARG 124          2HH2      ARG 124 106.329 -11.733 -11.733
  926    H    ASP 125           H        ASP 125 104.807  -8.150  -8.150
  927    HA   ASP 125           HA       ASP 125 105.124 -10.539 -10.539
  928   1HB   ASP 125          2HB       ASP 125 103.753  -7.987  -7.987
  929   2HB   ASP 125          1HB       ASP 125 104.447  -8.314  -8.314
  930    H    VAL 126           H        VAL 126 106.567  -7.273  -7.273
  931    HA   VAL 126           HA       VAL 126 108.359  -8.100  -8.100
  932    HB   VAL 126           HB       VAL 126 108.583  -5.552  -5.552
  933   1HG1  VAL 126          2HG1      VAL 126 109.174  -6.512  -6.512
  934   2HG1  VAL 126          1HG1      VAL 126 108.918  -4.795  -4.795
  935   3HG1  VAL 126          3HG1      VAL 126 110.218  -5.646  -5.646
  936   1HG2  VAL 126          2HG2      VAL 126 106.192  -6.472  -6.472
  937   2HG2  VAL 126          1HG2      VAL 126 106.456  -4.952  -4.952
  938   3HG2  VAL 126          3HG2      VAL 126 106.871  -5.092  -5.092
  939    H    ALA 127           H        ALA 127 108.543  -7.537  -7.537
  940    HA   ALA 127           HA       ALA 127 111.406  -7.684  -7.684
  941   1HB   ALA 127          3HB       ALA 127 109.047  -7.496  -7.496
  942   2HB   ALA 127          2HB       ALA 127 110.076  -8.771  -8.771
  943   3HB   ALA 127          1HB       ALA 127 110.713  -7.141  -7.141
  944    H    ARG 128           H        ARG 128 108.848 -10.139 -10.139
  945    HA   ARG 128           HA       ARG 128 110.605 -12.374 -12.374
  946   1HB   ARG 128          2HB       ARG 128 108.225 -12.317 -12.317
  947   2HB   ARG 128          1HB       ARG 128 107.766 -12.159 -12.159
  948   1HG   ARG 128          2HG       ARG 128 109.512 -14.466 -14.466
  949   2HG   ARG 128          1HG       ARG 128 107.825 -14.538 -14.538
  950   1HD   ARG 128          2HD       ARG 128 107.129 -14.036 -14.036
  951   2HD   ARG 128          1HD       ARG 128 108.833 -14.158 -14.158
  952    HE   ARG 128           HE       ARG 128 107.805 -16.437 -16.437
  953   1HH1  ARG 128          2HH1      ARG 128 106.606 -15.800 -15.800
  954   2HH1  ARG 128          1HH1      ARG 128 107.495 -16.962 -16.962
  955   1HH2  ARG 128          1HH2      ARG 128 109.782 -17.613 -17.613
  956   2HH2  ARG 128          2HH2      ARG 128 109.293 -17.993 -17.993
  957    H    TYR 129           H        TYR 129 108.771 -11.320 -11.320
  958    HA   TYR 129           HA       TYR 129 109.697 -13.213 -13.213
  959   1HB   TYR 129          2HB       TYR 129 107.972 -11.501 -11.501
  960   2HB   TYR 129          1HB       TYR 129 109.191 -10.231 -10.231
  961    HD1  TYR 129           HD1      TYR 129 111.238 -10.437 -10.437
  962    HD2  TYR 129           HD2      TYR 129 107.505 -12.485 -12.485
  963    HE1  TYR 129           HE1      TYR 129 111.782 -10.756 -10.756
  964    HE2  TYR 129           HE2      TYR 129 108.052 -12.802 -12.802
  965    HH   TYR 129           HH       TYR 129 109.852 -11.264 -11.264
  966    H    LEU 130           H        LEU 130 111.234 -10.219 -10.219
  967    HA   LEU 130           HA       LEU 130 113.502 -10.285 -10.285
  968   1HB   LEU 130          2HB       LEU 130 112.779  -9.030  -9.030
  969   2HB   LEU 130          1HB       LEU 130 114.416  -8.854  -8.854
  970    HG   LEU 130           HG       LEU 130 111.912  -8.185  -8.185
  971   1HD1  LEU 130          1HD1      LEU 130 112.451  -6.759  -6.759
  972   2HD1  LEU 130          3HD1      LEU 130 113.856  -6.204  -6.204
  973   3HD1  LEU 130          2HD1      LEU 130 112.232  -5.918  -5.918
  974   1HD2  LEU 130          1HD2      LEU 130 114.759  -8.397  -8.397
  975   2HD2  LEU 130          3HD2      LEU 130 113.387  -8.231  -8.231
  976   3HD2  LEU 130          2HD2      LEU 130 114.120  -6.797  -6.797
  977    H    ARG 131           H        ARG 131 113.174 -11.265 -11.265
  978    HA   ARG 131           HA       ARG 131 115.717 -12.330 -12.330
  979   1HB   ARG 131          2HB       ARG 131 113.620 -12.056 -12.056
  980   2HB   ARG 131          1HB       ARG 131 113.154 -13.649 -13.649
  981   1HG   ARG 131          2HG       ARG 131 115.828 -13.972 -13.972
  982   2HG   ARG 131          1HG       ARG 131 115.189 -12.927 -12.927
  983   1HD   ARG 131          2HD       ARG 131 114.280 -14.772 -14.772
  984   2HD   ARG 131          1HD       ARG 131 113.214 -14.921 -14.921
  985    HE   ARG 131           HE       ARG 131 115.902 -15.918 -15.918
  986   1HH1  ARG 131          1HH2      ARG 131 114.410 -17.184 -17.184
  987   2HH1  ARG 131          2HH2      ARG 131 113.833 -18.639 -18.639
  988   1HH2  ARG 131          2HH1      ARG 131 114.464 -17.558 -17.558
  989   2HH2  ARG 131          1HH1      ARG 131 113.869 -18.852 -18.852
  990    H    ALA 132           H        ALA 132 113.225 -13.623 -13.623
  991    HA   ALA 132           HA       ALA 132 114.401 -16.321 -16.321
  992   1HB   ALA 132          2HB       ALA 132 111.960 -14.919 -14.919
  993   2HB   ALA 132          1HB       ALA 132 112.521 -16.088 -16.088
  994   3HB   ALA 132          3HB       ALA 132 112.180 -16.608 -16.608
  995    H    ALA 133           H        ALA 133 113.809 -13.725 -13.725
  996    HA   ALA 133           HA       ALA 133 115.671 -14.977 -14.977
  997   1HB   ALA 133          3HB       ALA 133 113.503 -13.836 -13.836
  998   2HB   ALA 133          2HB       ALA 133 114.234 -12.308 -12.308
  999   3HB   ALA 133          1HB       ALA 133 114.889 -13.199 -13.199
 1000    H    ALA 134           H        ALA 134 115.950 -12.783 -12.783
 1001    HA   ALA 134           HA       ALA 134 118.344 -11.420 -11.420
 1002   1HB   ALA 134          2HB       ALA 134 116.422 -10.251 -10.251
 1003   2HB   ALA 134          1HB       ALA 134 116.988 -11.050 -11.050
 1004   3HB   ALA 134          3HB       ALA 134 118.034  -9.906  -9.906
 1005    H    GLY 135           H        GLY 135 117.379 -13.877 -13.877
 1006   1HA   GLY 135          2HA       GLY 135 119.782 -13.907 -13.907
 1007   2HA   GLY 135          1HA       GLY 135 118.629 -15.238 -15.238
 1008    H    GLY 136           H        GLY 136 121.667 -15.142 -15.142
 1009   1HA   GLY 136          2HA       GLY 136 122.205 -15.995 -15.995
 1010   2HA   GLY 136          1HA       GLY 136 123.394 -15.883 -15.883
 1011    H    THR 137           H        THR 137 121.003 -17.454 -17.454
 1012    HA   THR 137           HA       THR 137 122.051 -20.140 -20.140
 1013    HB   THR 137           HB       THR 137 121.462 -20.733 -20.733
 1014    HG1  THR 137           HG1      THR 137 121.175 -18.624 -18.624
 1015   1HG2  THR 137          2HG2      THR 137 123.413 -18.621 -18.621
 1016   2HG2  THR 137          1HG2      THR 137 123.153 -18.873 -18.873
 1017   3HG2  THR 137          3HG2      THR 137 123.697 -20.208 -20.208
 1018    H    ARG 138           H        ARG 138 120.111 -19.572 -19.572
 1019    HA   ARG 138           HA       ARG 138 117.395 -19.903 -19.903
 1020   1HB   ARG 138          2HB       ARG 138 118.003 -18.818 -18.818
 1021   2HB   ARG 138          1HB       ARG 138 118.726 -20.315 -20.315
 1022   1HG   ARG 138          2HG       ARG 138 115.919 -20.535 -20.535
 1023   2HG   ARG 138          1HG       ARG 138 116.164 -19.582 -19.582
 1024   1HD   ARG 138          2HD       ARG 138 117.559 -21.543 -21.543
 1025   2HD   ARG 138          1HD       ARG 138 116.912 -22.484 -22.484
 1026    HE   ARG 138           HE       ARG 138 115.446 -21.893 -21.893
 1027   1HH1  ARG 138          1HH2      ARG 138 115.073 -23.025 -23.025
 1028   2HH1  ARG 138          2HH2      ARG 138 113.403 -22.598 -22.598
 1029   1HH2  ARG 138          2HH1      ARG 138 113.322 -20.751 -20.751
 1030   2HH2  ARG 138          1HH1      ARG 138 112.411 -21.315 -21.315
 1031    H    GLY 139           H        GLY 139 116.974 -21.806 -21.806
 1032   1HA   GLY 139          2HA       GLY 139 116.192 -24.127 -24.127
 1033   2HA   GLY 139          1HA       GLY 139 117.589 -24.356 -24.356
 1034    H    SER 140           H        SER 140 116.558 -24.048 -24.048
 1035    HA   SER 140           HA       SER 140 119.194 -24.356 -24.356
 1036   1HB   SER 140          2HB       SER 140 116.820 -25.270 -25.270
 1037   2HB   SER 140          1HB       SER 140 118.017 -24.053 -24.053
 1038    HG   SER 140           HG       SER 140 116.330 -22.814 -22.814
 1039    H    ASN 141           H        ASN 141 119.808 -26.235 -26.235
 1040    HA   ASN 141           HA       ASN 141 119.702 -28.741 -28.741
 1041   1HB   ASN 141          2HB       ASN 141 117.386 -28.150 -28.150
 1042   2HB   ASN 141          1HB       ASN 141 118.278 -29.099 -29.099
 1043   1HD2  ASN 141          1HD2      ASN 141 117.935 -31.313 -31.313
 1044   2HD2  ASN 141          2HD2      ASN 141 117.510 -32.119 -32.119
 1045    H    HIS 142           H        HIS 142 121.857 -27.351 -27.351
 1046    HA   HIS 142           HA       HIS 142 122.927 -29.248 -29.248
 1047   1HB   HIS 142          2HB       HIS 142 121.704 -26.790 -26.790
 1048   2HB   HIS 142          1HB       HIS 142 123.438 -26.552 -26.552
 1049    HD1  HIS 142           HD1      HIS 142 122.616 -26.484 -26.484
 1050    HD2  HIS 142           HD2      HIS 142 122.579 -30.201 -30.201
 1051    HE1  HIS 142           HE1      HIS 142 122.554 -28.223 -28.223
 1052    H    ALA 143           H        ALA 143 125.261 -28.257 -28.257
 1053    HA   ALA 143           HA       ALA 143 126.594 -27.624 -27.624
 1054   1HB   ALA 143          3HB       ALA 143 127.541 -28.766 -28.766
 1055   2HB   ALA 143          2HB       ALA 143 128.605 -28.458 -28.458
 1056   3HB   ALA 143          1HB       ALA 143 127.313 -29.650 -29.650
 1057    H    ARG 144           H        ARG 144 126.832 -25.423 -25.423
 1058    HA   ARG 144           HA       ARG 144 128.437 -23.926 -23.926
 1059   1HB   ARG 144          2HB       ARG 144 125.918 -24.270 -24.270
 1060   2HB   ARG 144          1HB       ARG 144 125.636 -22.893 -22.893
 1061   1HG   ARG 144          2HG       ARG 144 128.013 -22.557 -22.557
 1062   2HG   ARG 144          1HG       ARG 144 126.530 -22.744 -22.744
 1063   1HD   ARG 144          2HD       ARG 144 125.484 -20.888 -20.888
 1064   2HD   ARG 144          1HD       ARG 144 126.780 -20.805 -20.805
 1065    HE   ARG 144           HE       ARG 144 128.069 -20.585 -20.585
 1066   1HH1  ARG 144          1HH2      ARG 144 126.266 -18.753 -18.753
 1067   2HH1  ARG 144          2HH2      ARG 144 126.330 -17.287 -17.287
 1068   1HH2  ARG 144          2HH1      ARG 144 127.862 -18.752 -18.752
 1069   2HH2  ARG 144          1HH1      ARG 144 127.222 -17.289 -17.289
 1070    H    ILE 145           H        ILE 145 129.325 -23.858 -23.858
 1071    HA   ILE 145           HA       ILE 145 128.015 -22.448 -22.448
 1072    HB   ILE 145           HB       ILE 145 130.209 -22.367 -22.367
 1073   1HG1  ILE 145          2HG1      ILE 145 132.116 -23.078 -23.078
 1074   2HG1  ILE 145          1HG1      ILE 145 131.041 -22.127 -22.127
 1075   1HG2  ILE 145          3HG2      ILE 145 129.243 -24.723 -24.723
 1076   2HG2  ILE 145          2HG2      ILE 145 130.996 -24.711 -24.711
 1077   3HG2  ILE 145          1HG2      ILE 145 130.287 -24.608 -24.608
 1078   1HD1  ILE 145          2HD1      ILE 145 131.980 -21.138 -21.138
 1079   2HD1  ILE 145          1HD1      ILE 145 132.883 -20.824 -20.824
 1080   3HD1  ILE 145          3HD1      ILE 145 131.242 -20.205 -20.205
 1081    H    ASP 146           H        ASP 146 128.155 -20.226 -20.226
 1082    HA   ASP 146           HA       ASP 146 129.655 -18.188 -18.188
 1083   1HB   ASP 146          2HB       ASP 146 127.687 -19.235 -19.235
 1084   2HB   ASP 146          1HB       ASP 146 127.000 -17.726 -17.726
 1085    H    ALA 147           H        ALA 147 129.619 -17.347 -17.347
 1086    HA   ALA 147           HA       ALA 147 127.282 -15.711 -15.711
 1087   1HB   ALA 147          1HB       ALA 147 127.924 -18.311 -18.311
 1088   2HB   ALA 147          3HB       ALA 147 127.185 -17.007 -17.007
 1089   3HB   ALA 147          2HB       ALA 147 126.353 -17.666 -17.666
 1090    H    ALA 148           H        ALA 148 129.208 -14.217 -14.217
 1091    HA   ALA 148           HA       ALA 148 130.895 -12.881 -12.881
 1092   1HB   ALA 148          3HB       ALA 148 128.926 -12.762 -12.762
 1093   2HB   ALA 148          2HB       ALA 148 129.719 -14.024 -14.024
 1094   3HB   ALA 148          1HB       ALA 148 130.497 -12.455 -12.455
 1095    H    GLU 149           H        GLU 149 132.738 -13.071 -13.071
 1096    HA   GLU 149           HA       GLU 149 133.838 -15.863 -15.863
 1097   1HB   GLU 149          2HB       GLU 149 134.828 -13.941 -13.941
 1098   2HB   GLU 149          1HB       GLU 149 135.477 -13.333 -13.333
 1099   1HG   GLU 149          2HG       GLU 149 136.584 -15.508 -15.508
 1100   2HG   GLU 149          1HG       GLU 149 135.950 -16.103 -16.103
 1101    H    GLY 150           H        GLY 150 132.945 -13.179 -13.179
 1102   1HA   GLY 150          2HA       GLY 150 132.804 -14.002 -14.002
 1103   2HA   GLY 150          1HA       GLY 150 134.547 -14.213 -14.213
 1104    HA   PRO 151           HA       PRO 151 134.578 -10.010 -10.010
 1105   1HB   PRO 151          2HB       PRO 151 137.297  -9.707  -9.707
 1106   2HB   PRO 151          1HB       PRO 151 136.391 -10.592 -10.592
 1107   1HG   PRO 151          2HG       PRO 151 137.992 -11.634 -11.634
 1108   2HG   PRO 151          1HG       PRO 151 137.804 -12.275 -12.275
 1109   1HD   PRO 151          2HD       PRO 151 136.511 -13.272 -13.272
 1110   2HD   PRO 151          1HD       PRO 151 135.923 -13.443 -13.443
 1111    H    SER 152           H        SER 152 134.769  -8.010  -8.010
 1112    HA   SER 152           HA       SER 152 135.061  -8.050  -8.050
 1113   1HB   SER 152          2HB       SER 152 135.019  -5.718  -5.718
 1114   2HB   SER 152          1HB       SER 152 134.571  -5.681  -5.681
 1115    HG   SER 152           HG       SER 152 133.237  -6.797  -6.797
 1116    H    ASP 153           H        ASP 153 136.865  -7.621  -7.621
 1117    HA   ASP 153           HA       ASP 153 139.483  -7.483  -7.483
 1118   1HB   ASP 153          2HB       ASP 153 140.072  -6.778  -6.778
 1119   2HB   ASP 153          1HB       ASP 153 139.270  -8.334  -8.334
 1120    H    ILE 154           H        ILE 154 139.637  -5.740  -5.740
 1121    HA   ILE 154           HA       ILE 154 139.197  -3.005  -3.005
 1122    HB   ILE 154           HB       ILE 154 137.785  -3.606  -3.606
 1123   1HG1  ILE 154          2HG1      ILE 154 139.987  -1.852  -1.852
 1124   2HG1  ILE 154          1HG1      ILE 154 138.885  -1.293  -1.293
 1125   1HG2  ILE 154          2HG2      ILE 154 140.249  -4.853  -4.853
 1126   2HG2  ILE 154          1HG2      ILE 154 139.544  -3.826  -3.826
 1127   3HG2  ILE 154          3HG2      ILE 154 138.591  -5.127  -5.127
 1128   1HD1  ILE 154          1HD1      ILE 154 137.824  -2.523  -2.523
 1129   2HD1  ILE 154          3HD1      ILE 154 138.247  -0.813  -0.813
 1130   3HD1  ILE 154          2HD1      ILE 154 136.998  -1.454  -1.454
 1131    HA   PRO 155           HA       PRO 155 143.750  -3.508  -3.508
 1132   1HB   PRO 155          2HB       PRO 155 144.399  -2.297  -2.297
 1133   2HB   PRO 155          1HB       PRO 155 144.032  -4.029  -4.029
 1134   1HG   PRO 155          2HG       PRO 155 142.309  -1.796  -1.796
 1135   2HG   PRO 155          1HG       PRO 155 142.436  -3.456  -3.456
 1136   1HD   PRO 155          2HD       PRO 155 140.412  -2.573  -2.573
 1137   2HD   PRO 155          1HD       PRO 155 140.955  -4.261  -4.261
 1138    H    ASP 156           HN       ASP 156 145.241  -1.804  -1.804
 1139    HA   ASP 156           HA       ASP 156 144.029   0.940   0.940
 1140   1HB   ASP 156          2HB       ASP 156 144.909  -0.838  -0.838
 1141   2HB   ASP 156          1HB       ASP 156 146.040   0.513   0.513

  Start of MODEL    7
    1   1H    MET   1          3H        MET   1 137.453  31.435  31.435
    2   2H    MET   1          2H        MET   1 138.951  30.910  30.910
    3   3H    MET   1          1H        MET   1 137.930  31.859  31.859
    4    HA   MET   1           HA       MET   1 137.743  29.608  29.608
    5   1HB   MET   1          2HB       MET   1 138.675  28.819  28.819
    6   2HB   MET   1          1HB       MET   1 137.040  28.969  28.969
    7   1HG   MET   1          2HG       MET   1 136.199  27.365  27.365
    8   2HG   MET   1          1HG       MET   1 137.782  27.279  27.279
    9   1HE   MET   1          2HE       MET   1 136.877  24.914  24.914
   10   2HE   MET   1          1HE       MET   1 138.601  24.618  24.618
   11   3HE   MET   1          3HE       MET   1 137.433  23.828  23.828
   12    H    GLU   2           H        GLU   2 135.730  28.977  28.977
   13    HA   GLU   2           HA       GLU   2 133.348  30.440  30.440
   14   1HB   GLU   2          2HB       GLU   2 133.825  29.192  29.192
   15   2HB   GLU   2          1HB       GLU   2 132.518  30.288  30.288
   16   1HG   GLU   2          2HG       GLU   2 135.142  31.416  31.416
   17   2HG   GLU   2          1HG       GLU   2 134.979  31.028  31.028
   18    HA   PRO   3           HA       PRO   3 131.619  26.505  26.505
   19   1HB   PRO   3          2HB       PRO   3 128.967  27.168  27.168
   20   2HB   PRO   3          1HB       PRO   3 130.111  27.672  27.672
   21   1HG   PRO   3          2HG       PRO   3 128.994  29.227  29.227
   22   2HG   PRO   3          1HG       PRO   3 129.380  29.747  29.747
   23   1HD   PRO   3          2HD       PRO   3 130.957  30.250  30.250
   24   2HD   PRO   3          1HD       PRO   3 131.549  30.203  30.203
   25    H    ALA   4           H        ALA   4 132.174  25.475  25.475
   26    HA   ALA   4           HA       ALA   4 129.889  25.370  25.370
   27   1HB   ALA   4          3HB       ALA   4 132.858  25.480  25.480
   28   2HB   ALA   4          2HB       ALA   4 132.021  24.480  24.480
   29   3HB   ALA   4          1HB       ALA   4 131.635  26.196  26.196
   30    H    ALA   5           H        ALA   5 129.351  23.690  23.690
   31    HA   ALA   5           HA       ALA   5 129.854  21.026  21.026
   32   1HB   ALA   5          1HB       ALA   5 131.881  21.503  21.503
   33   2HB   ALA   5          3HB       ALA   5 130.874  21.833  21.833
   34   3HB   ALA   5          2HB       ALA   5 130.939  20.205  20.205
   35    H    GLY   6           H        GLY   6 127.388  21.807  21.807
   36   1HA   GLY   6          2HA       GLY   6 125.481  20.488  20.488
   37   2HA   GLY   6          1HA       GLY   6 126.173  20.789  20.789
   38    H    SER   7           H        SER   7 123.559  21.594  21.594
   39    HA   SER   7           HA       SER   7 123.660  24.493  24.493
   40   1HB   SER   7          2HB       SER   7 122.341  24.963  24.963
   41   2HB   SER   7          1HB       SER   7 123.487  23.755  23.755
   42    HG   SER   7           HG       SER   7 121.930  22.244  22.244
   43    H    SER   8           H        SER   8 122.770  21.857  21.857
   44    HA   SER   8           HA       SER   8 120.308  22.980  22.980
   45   1HB   SER   8          2HB       SER   8 120.359  20.938  20.938
   46   2HB   SER   8          1HB       SER   8 119.581  20.337  20.337
   47    HG   SER   8           HG       SER   8 118.220  21.516  21.516
   48    H    MET   9           H        MET   9 120.241  22.403  22.403
   49    HA   MET   9           HA       MET   9 122.378  20.885  20.885
   50   1HB   MET   9          2HB       MET   9 120.513  22.724  22.724
   51   2HB   MET   9          1HB       MET   9 119.821  21.249  21.249
   52   1HG   MET   9          2HG       MET   9 122.725  21.478  21.478
   53   2HG   MET   9          1HG       MET   9 121.801  22.766  22.766
   54   1HE   MET   9          3HE       MET   9 119.195  21.846  21.846
   55   2HE   MET   9          2HE       MET   9 119.400  21.066  21.066
   56   3HE   MET   9          1HE       MET   9 120.299  22.535  22.535
   57    H    GLU  10           H        GLU  10 122.466  18.707  18.707
   58    HA   GLU  10           HA       GLU  10 120.694  16.833  16.833
   59   1HB   GLU  10          2HB       GLU  10 122.019  15.215  15.215
   60   2HB   GLU  10          1HB       GLU  10 123.094  16.546  16.546
   61   1HG   GLU  10          2HG       GLU  10 122.782  17.509  17.509
   62   2HG   GLU  10          1HG       GLU  10 121.718  16.168  16.168
   63    HA   PRO  11           HA       PRO  11 117.363  16.978  16.978
   64   1HB   PRO  11          2HB       PRO  11 116.117  14.641  14.641
   65   2HB   PRO  11          1HB       PRO  11 116.009  16.121  16.121
   66   1HG   PRO  11          2HG       PRO  11 117.710  13.712  13.712
   67   2HG   PRO  11          1HG       PRO  11 116.868  14.711  14.711
   68   1HD   PRO  11          2HD       PRO  11 119.541  14.896  14.896
   69   2HD   PRO  11          1HD       PRO  11 118.557  16.253  16.253
   70    H    SER  12           H        SER  12 118.728  16.645  16.645
   71    HA   SER  12           HA       SER  12 119.947  14.288  14.288
   72   1HB   SER  12          2HB       SER  12 120.167  16.418  16.418
   73   2HB   SER  12          1HB       SER  12 118.442  16.465  16.465
   74    HG   SER  12           HG       SER  12 119.125  15.591  15.591
   75    H    ALA  13           H        ALA  13 118.778  12.393  12.393
   76    HA   ALA  13           HA       ALA  13 116.052  11.858  11.858
   77   1HB   ALA  13          3HB       ALA  13 118.450  10.476  10.476
   78   2HB   ALA  13          2HB       ALA  13 117.716   9.655   9.655
   79   3HB   ALA  13          1HB       ALA  13 116.816   9.825   9.825
   80    H    ASP  14           H        ASP  14 115.136  12.793  12.793
   81    HA   ASP  14           HA       ASP  14 115.835  11.437  11.437
   82   1HB   ASP  14          2HB       ASP  14 115.442  13.737  13.737
   83   2HB   ASP  14          1HB       ASP  14 116.915  13.569  13.569
   84    H    TRP  15           H        TRP  15 113.405  12.645  12.645
   85    HA   TRP  15           HA       TRP  15 111.163  13.063  13.063
   86   1HB   TRP  15          2HB       TRP  15 111.595  11.864  11.864
   87   2HB   TRP  15          1HB       TRP  15 109.969  12.027  12.027
   88    HD1  TRP  15           HD1      TRP  15 111.192  14.861  14.861
   89    HE1  TRP  15           HE1      TRP  15 111.070  16.993  16.993
   90    HE3  TRP  15           HE3      TRP  15 110.631  12.765  12.765
   91    HZ2  TRP  15           HZ2      TRP  15 110.776  17.713  17.713
   92    HZ3  TRP  15           HZ3      TRP  15 110.432  14.195  14.195
   93    HH2  TRP  15           HH2      TRP  15 110.504  16.664  16.664
   94    H    LEU  16           H        LEU  16 112.205   9.921   9.921
   95    HA   LEU  16           HA       LEU  16 110.252   8.247   8.247
   96   1HB   LEU  16          2HB       LEU  16 112.049   6.508   6.508
   97   2HB   LEU  16          1HB       LEU  16 111.928   7.507   7.507
   98    HG   LEU  16           HG       LEU  16 113.713   8.912   8.912
   99   1HD1  LEU  16          2HD1      LEU  16 113.649   6.595   6.595
  100   2HD1  LEU  16          1HD1      LEU  16 114.736   6.099   6.099
  101   3HD1  LEU  16          3HD1      LEU  16 115.175   7.447   7.447
  102   1HD2  LEU  16          1HD2      LEU  16 114.265   6.879   6.879
  103   2HD2  LEU  16          3HD2      LEU  16 113.878   8.582   8.582
  104   3HD2  LEU  16          2HD2      LEU  16 115.392   8.125   8.125
  105    H    ALA  17           H        ALA  17 112.992   9.822   9.822
  106    HA   ALA  17           HA       ALA  17 112.801   8.239   8.239
  107   1HB   ALA  17          1HB       ALA  17 114.709   9.780   9.780
  108   2HB   ALA  17          3HB       ALA  17 114.205  10.824  10.824
  109   3HB   ALA  17          2HB       ALA  17 114.827   9.210   9.210
  110    H    THR  18           H        THR  18 111.976  11.543  11.543
  111    HA   THR  18           HA       THR  18 110.887  12.445  12.445
  112    HB   THR  18           HB       THR  18 109.609  13.798  13.798
  113    HG1  THR  18           HG1      THR  18 111.827  14.033  14.033
  114   1HG2  THR  18          3HG2      THR  18 111.129  14.488  14.488
  115   2HG2  THR  18          2HG2      THR  18 112.371  14.587  14.587
  116   3HG2  THR  18          1HG2      THR  18 110.916  15.576  15.576
  117    H    ALA  19           H        ALA  19 109.369  11.017  11.017
  118    HA   ALA  19           HA       ALA  19 106.654  11.124  11.124
  119   1HB   ALA  19          1HB       ALA  19 108.313   9.384   9.384
  120   2HB   ALA  19          3HB       ALA  19 106.613   8.995   8.995
  121   3HB   ALA  19          2HB       ALA  19 107.063  10.553  10.553
  122    H    ALA  20           H        ALA  20 109.124   8.581   8.581
  123    HA   ALA  20           HA       ALA  20 107.542   6.685   6.685
  124   1HB   ALA  20          1HB       ALA  20 110.246   7.130   7.130
  125   2HB   ALA  20          3HB       ALA  20 110.260   6.825   6.825
  126   3HB   ALA  20          2HB       ALA  20 109.552   5.643   5.643
  127    H    ALA  21           H        ALA  21 109.525   9.394   9.394
  128    HA   ALA  21           HA       ALA  21 109.095   8.963   8.963
  129   1HB   ALA  21          1HB       ALA  21 110.502  10.684  10.684
  130   2HB   ALA  21          3HB       ALA  21 109.378  11.752  11.752
  131   3HB   ALA  21          2HB       ALA  21 110.494  10.746  10.746
  132    H    ARG  22           H        ARG  22 107.162  10.590  10.590
  133    HA   ARG  22           HA       ARG  22 105.282  11.613  11.613
  134   1HB   ARG  22          2HB       ARG  22 105.392  11.942  11.942
  135   2HB   ARG  22          1HB       ARG  22 104.345  12.843  12.843
  136   1HG   ARG  22          2HG       ARG  22 107.224  12.896  12.896
  137   2HG   ARG  22          1HG       ARG  22 106.800  13.714  13.714
  138   1HD   ARG  22          2HD       ARG  22 104.921  14.858  14.858
  139   2HD   ARG  22          1HD       ARG  22 105.813  14.307  14.307
  140    HE   ARG  22           HE       ARG  22 107.843  15.407  15.407
  141   1HH1  ARG  22          1HH2      ARG  22 105.005  16.479  16.479
  142   2HH1  ARG  22          2HH2      ARG  22 105.195  18.143  18.143
  143   1HH2  ARG  22          2HH1      ARG  22 107.933  17.549  17.549
  144   2HH2  ARG  22          1HH1      ARG  22 106.858  18.750  18.750
  145    H    GLY  23           H        GLY  23 105.606   8.658   8.658
  146   1HA   GLY  23          2HA       GLY  23 104.214   6.845   6.845
  147   2HA   GLY  23          1HA       GLY  23 102.970   7.792   7.792
  148    H    ARG  24           H        ARG  24 104.717   7.935   7.935
  149    HA   ARG  24           HA       ARG  24 102.060   8.394   8.394
  150   1HB   ARG  24          2HB       ARG  24 104.195  10.132  10.132
  151   2HB   ARG  24          1HB       ARG  24 104.463   9.444   9.444
  152   1HG   ARG  24          2HG       ARG  24 103.028  11.167  11.167
  153   2HG   ARG  24          1HG       ARG  24 101.853   9.892   9.892
  154   1HD   ARG  24          2HD       ARG  24 102.505  11.157  11.157
  155   2HD   ARG  24          1HD       ARG  24 102.056  12.405  12.405
  156    HE   ARG  24           HE       ARG  24 100.266  10.154  10.154
  157   1HH1  ARG  24          1HH2      ARG  24  99.356  12.989  12.989
  158   2HH1  ARG  24          2HH2      ARG  24  98.519  13.150  13.150
  159   1HH2  ARG  24          2HH1      ARG  24  99.936  10.308  10.308
  160   2HH2  ARG  24          1HH1      ARG  24  98.849  11.633  11.633
  161    H    VAL  25           H        VAL  25 102.396   5.864   5.864
  162    HA   VAL  25           HA       VAL  25 104.303   4.537   4.537
  163    HB   VAL  25           HB       VAL  25 101.321   4.034   4.034
  164   1HG1  VAL  25          3HG1      VAL  25 103.596   2.444   2.444
  165   2HG1  VAL  25          2HG1      VAL  25 102.356   1.585   1.585
  166   3HG1  VAL  25          1HG1      VAL  25 101.913   2.511   2.511
  167   1HG2  VAL  25          1HG2      VAL  25 103.380   4.084   4.084
  168   2HG2  VAL  25          3HG2      VAL  25 101.752   3.435   3.435
  169   3HG2  VAL  25          2HG2      VAL  25 103.064   2.378   2.378
  170    H    GLU  26           H        GLU  26 101.062   5.596   5.596
  171    HA   GLU  26           HA       GLU  26 101.165   5.081   5.081
  172   1HB   GLU  26          2HB       GLU  26  99.969   7.138   7.138
  173   2HB   GLU  26          1HB       GLU  26  99.995   7.548   7.548
  174   1HG   GLU  26          2HG       GLU  26  99.141   4.992   4.992
  175   2HG   GLU  26          1HG       GLU  26  98.490   5.411   5.411
  176    H    GLU  27           H        GLU  27 102.653   7.892   7.892
  177    HA   GLU  27           HA       GLU  27 103.597   9.181   9.181
  178   1HB   GLU  27          2HB       GLU  27 103.422   9.734   9.734
  179   2HB   GLU  27          1HB       GLU  27 105.153   9.444   9.444
  180   1HG   GLU  27          2HG       GLU  27 104.661  11.819  11.819
  181   2HG   GLU  27          1HG       GLU  27 105.224  11.078  11.078
  182    H    VAL  28           H        VAL  28 105.207   6.970   6.970
  183    HA   VAL  28           HA       VAL  28 107.724   6.910   6.910
  184    HB   VAL  28           HB       VAL  28 106.510   4.868   4.868
  185   1HG1  VAL  28          2HG1      VAL  28 108.769   4.574   4.574
  186   2HG1  VAL  28          1HG1      VAL  28 109.406   5.606   5.606
  187   3HG1  VAL  28          3HG1      VAL  28 108.659   4.061   4.061
  188   1HG2  VAL  28          1HG2      VAL  28 107.946   7.485   7.485
  189   2HG2  VAL  28          3HG2      VAL  28 106.350   7.004   7.004
  190   3HG2  VAL  28          2HG2      VAL  28 107.789   6.219   6.219
  191    H    ARG  29           H        ARG  29 104.873   4.748   4.748
  192    HA   ARG  29           HA       ARG  29 105.850   2.600   2.600
  193   1HB   ARG  29          2HB       ARG  29 103.154   3.999   3.999
  194   2HB   ARG  29          1HB       ARG  29 103.469   2.359   2.359
  195   1HG   ARG  29          2HG       ARG  29 104.027   3.216   3.216
  196   2HG   ARG  29          1HG       ARG  29 102.462   2.590   2.590
  197   1HD   ARG  29          2HD       ARG  29 105.007   1.063   1.063
  198   2HD   ARG  29          1HD       ARG  29 104.150   0.877   0.877
  199    HE   ARG  29           HE       ARG  29 103.292  -0.278  -0.278
  200   1HH1  ARG  29          2HH1      ARG  29 102.211  -0.877  -0.877
  201   2HH1  ARG  29          1HH1      ARG  29 100.554  -0.403  -0.403
  202   1HH2  ARG  29          1HH2      ARG  29 101.102   1.418   1.418
  203   2HH2  ARG  29          2HH2      ARG  29  99.926   0.897   0.897
  204    H    ALA  30           H        ALA  30 104.483   5.682   5.682
  205    HA   ALA  30           HA       ALA  30 104.982   5.032   5.032
  206   1HB   ALA  30          3HB       ALA  30 103.659   7.029   7.029
  207   2HB   ALA  30          2HB       ALA  30 104.651   7.821   7.821
  208   3HB   ALA  30          1HB       ALA  30 103.416   6.658   6.658
  209    H    LEU  31           H        LEU  31 106.515   7.141   7.141
  210    HA   LEU  31           HA       LEU  31 108.507   8.321   8.321
  211   1HB   LEU  31          2HB       LEU  31 108.111   7.692   7.692
  212   2HB   LEU  31          1HB       LEU  31 109.719   8.209   8.209
  213    HG   LEU  31           HG       LEU  31 107.444   9.791   9.791
  214   1HD1  LEU  31          2HD1      LEU  31 107.573   9.207   9.207
  215   2HD1  LEU  31          1HD1      LEU  31 108.151  10.861  10.861
  216   3HD1  LEU  31          3HD1      LEU  31 106.558  10.402  10.402
  217   1HD2  LEU  31          1HD2      LEU  31 110.001  10.152  10.152
  218   2HD2  LEU  31          3HD2      LEU  31 109.011  11.556  11.556
  219   3HD2  LEU  31          2HD2      LEU  31 109.953  10.761  10.761
  220    H    LEU  32           H        LEU  32 108.825   5.412   5.412
  221    HA   LEU  32           HA       LEU  32 111.447   4.682   4.682
  222   1HB   LEU  32          2HB       LEU  32 108.979   3.296   3.296
  223   2HB   LEU  32          1HB       LEU  32 110.312   2.286   2.286
  224    HG   LEU  32           HG       LEU  32 110.582   4.484   4.484
  225   1HD1  LEU  32          1HD1      LEU  32 110.366   1.476   1.476
  226   2HD1  LEU  32          3HD1      LEU  32 110.924   2.541   2.541
  227   3HD1  LEU  32          2HD1      LEU  32 109.282   2.691   2.691
  228   1HD2  LEU  32          3HD2      LEU  32 112.508   3.296   3.296
  229   2HD2  LEU  32          2HD2      LEU  32 112.813   4.121   4.121
  230   3HD2  LEU  32          1HD2      LEU  32 112.604   2.371   2.371
  231    H    GLU  33           H        GLU  33 108.379   3.804   3.804
  232    HA   GLU  33           HA       GLU  33 109.653   2.229   2.229
  233   1HB   GLU  33          2HB       GLU  33 106.970   3.553   3.553
  234   2HB   GLU  33          1HB       GLU  33 107.345   2.687   2.687
  235   1HG   GLU  33          2HG       GLU  33 107.625   0.627   0.627
  236   2HG   GLU  33          1HG       GLU  33 107.764   1.415   1.415
  237    H    ALA  34           H        ALA  34 109.350   5.625   5.625
  238    HA   ALA  34           HA       ALA  34 109.564   6.369   6.369
  239   1HB   ALA  34          2HB       ALA  34 108.458   7.540   7.540
  240   2HB   ALA  34          1HB       ALA  34 110.067   8.252   8.252
  241   3HB   ALA  34          3HB       ALA  34 109.109   8.492   8.492
  242    H    GLY  35           H        GLY  35 111.720   5.378   5.378
  243   1HA   GLY  35          2HA       GLY  35 114.066   5.015   5.015
  244   2HA   GLY  35          1HA       GLY  35 113.989   6.654   6.654
  245    H    ALA  36           H        ALA  36 112.527   6.031   6.031
  246    HA   ALA  36           HA       ALA  36 114.073   8.027   8.027
  247   1HB   ALA  36          2HB       ALA  36 111.788   6.705   6.705
  248   2HB   ALA  36          1HB       ALA  36 112.861   5.743   5.743
  249   3HB   ALA  36          3HB       ALA  36 112.701   7.477   7.477
  250    H    LEU  37           H        LEU  37 116.044   7.888   7.888
  251    HA   LEU  37           HA       LEU  37 117.611   5.422   5.422
  252   1HB   LEU  37          2HB       LEU  37 118.362   7.855   7.855
  253   2HB   LEU  37          1HB       LEU  37 118.331   7.981   7.981
  254    HG   LEU  37           HG       LEU  37 119.750   5.711   5.711
  255   1HD1  LEU  37          2HD1      LEU  37 119.532   6.360   6.360
  256   2HD1  LEU  37          1HD1      LEU  37 121.034   7.188   7.188
  257   3HD1  LEU  37          3HD1      LEU  37 120.885   5.449   5.449
  258   1HD2  LEU  37          1HD2      LEU  37 120.310   8.522   8.522
  259   2HD2  LEU  37          3HD2      LEU  37 121.082   7.119   7.119
  260   3HD2  LEU  37          2HD2      LEU  37 121.676   7.742   7.742
  261    HA   PRO  38           HA       PRO  38 116.214   4.162   4.162
  262   1HB   PRO  38          2HB       PRO  38 117.474   1.732   1.732
  263   2HB   PRO  38          1HB       PRO  38 115.938   2.027   2.027
  264   1HG   PRO  38          2HG       PRO  38 118.705   1.907   1.907
  265   2HG   PRO  38          1HG       PRO  38 117.190   1.303   1.303
  266   1HD   PRO  38          2HD       PRO  38 118.381   3.619   3.619
  267   2HD   PRO  38          1HD       PRO  38 116.627   3.339   3.339
  268    H    ASN  39           H        ASN  39 119.572   3.735   3.735
  269    HA   ASN  39           HA       ASN  39 120.611   3.963   3.963
  270   1HB   ASN  39          2HB       ASN  39 121.484   3.029   3.029
  271   2HB   ASN  39          1HB       ASN  39 122.742   3.898   3.898
  272   1HD2  ASN  39          1HD2      ASN  39 120.134   1.601   1.601
  273   2HD2  ASN  39          2HD2      ASN  39 121.175   0.586   0.586
  274    H    ALA  40           H        ALA  40 119.294   6.291   6.291
  275    HA   ALA  40           HA       ALA  40 121.286   8.236   8.236
  276   1HB   ALA  40          3HB       ALA  40 118.807   8.087   8.087
  277   2HB   ALA  40          2HB       ALA  40 118.469   8.681   8.681
  278   3HB   ALA  40          1HB       ALA  40 119.376   9.680   9.680
  279    HA   PRO  41           HA       PRO  41 122.351   8.963   8.963
  280   1HB   PRO  41          2HB       PRO  41 124.353  10.763  10.763
  281   2HB   PRO  41          1HB       PRO  41 124.571   9.008   9.008
  282   1HG   PRO  41          2HG       PRO  41 124.119  11.053  11.053
  283   2HG   PRO  41          1HG       PRO  41 125.157   9.619   9.619
  284   1HD   PRO  41          2HD       PRO  41 122.716   9.738   9.738
  285   2HD   PRO  41          1HD       PRO  41 123.451   8.232   8.232
  286    H    ASN  42           H        ASN  42 120.422  10.120  10.120
  287    HA   ASN  42           HA       ASN  42 119.955  12.861  12.861
  288   1HB   ASN  42          2HB       ASN  42 118.686  10.777  10.777
  289   2HB   ASN  42          1HB       ASN  42 118.339  12.432  12.432
  290   1HD2  ASN  42          1HD2      ASN  42 116.070  11.620  11.620
  291   2HD2  ASN  42          2HD2      ASN  42 115.726  11.904  11.904
  292    H    SER  43           H        SER  43 119.463  14.488  14.488
  293    HA   SER  43           HA       SER  43 122.016  14.746  14.746
  294   1HB   SER  43          2HB       SER  43 121.308  16.718  16.718
  295   2HB   SER  43          1HB       SER  43 119.627  16.477  16.477
  296    HG   SER  43           HG       SER  43 121.410  17.935  17.935
  297    H    TYR  44           H        TYR  44 119.755  12.773  12.773
  298    HA   TYR  44           HA       TYR  44 119.228  13.752  13.752
  299   1HB   TYR  44          2HB       TYR  44 117.553  12.830  12.830
  300   2HB   TYR  44          1HB       TYR  44 117.713  11.440  11.440
  301    HD1  TYR  44           HD1      TYR  44 117.937  12.543  12.543
  302    HD2  TYR  44           HD2      TYR  44 115.521  13.902  13.902
  303    HE1  TYR  44           HE1      TYR  44 116.349  13.579  13.579
  304    HE2  TYR  44           HE2      TYR  44 113.935  14.942  14.942
  305    HH   TYR  44           HH       TYR  44 113.518  14.240  14.240
  306    H    GLY  45           H        GLY  45 120.807  11.307  11.307
  307   1HA   GLY  45          2HA       GLY  45 122.108   9.459   9.459
  308   2HA   GLY  45          1HA       GLY  45 122.227  10.216  10.216
  309    H    ARG  46           H        ARG  46 119.225   9.216   9.216
  310    HA   ARG  46           HA       ARG  46 118.876   7.149   7.149
  311   1HB   ARG  46          2HB       ARG  46 116.935   9.130   9.130
  312   2HB   ARG  46          1HB       ARG  46 116.431   7.812   7.812
  313   1HG   ARG  46          2HG       ARG  46 118.083   8.718   8.718
  314   2HG   ARG  46          1HG       ARG  46 118.235  10.142  10.142
  315   1HD   ARG  46          2HD       ARG  46 116.054  10.848  10.848
  316   2HD   ARG  46          1HD       ARG  46 115.487   9.209   9.209
  317    HE   ARG  46           HE       ARG  46 117.114  10.915  10.915
  318   1HH1  ARG  46          1HH2      ARG  46 114.380   9.040   9.040
  319   2HH1  ARG  46          2HH2      ARG  46 114.680   8.102   8.102
  320   1HH2  ARG  46          2HH1      ARG  46 117.899   9.313   9.313
  321   2HH2  ARG  46          1HH1      ARG  46 116.674   8.256   8.256
  322    H    ARG  47           H        ARG  47 119.880   6.836   6.836
  323    HA   ARG  47           HA       ARG  47 119.517   5.463   5.463
  324   1HB   ARG  47          2HB       ARG  47 117.633   3.948   3.948
  325   2HB   ARG  47          1HB       ARG  47 118.751   3.308   3.308
  326   1HG   ARG  47          2HG       ARG  47 119.601   4.696   4.696
  327   2HG   ARG  47          1HG       ARG  47 119.536   2.947   2.947
  328   1HD   ARG  47          2HD       ARG  47 121.304   2.949   2.949
  329   2HD   ARG  47          1HD       ARG  47 121.113   4.681   4.681
  330    HE   ARG  47           HE       ARG  47 122.089   3.641   3.641
  331   1HH1  ARG  47          1HH2      ARG  47 124.193   4.568   4.568
  332   2HH1  ARG  47          2HH2      ARG  47 124.354   6.246   6.246
  333   1HH2  ARG  47          2HH1      ARG  47 121.316   6.409   6.409
  334   2HH2  ARG  47          1HH1      ARG  47 122.724   7.287   7.287
  335    HA   PRO  48           HA       PRO  48 115.641   6.362   6.362
  336   1HB   PRO  48          2HB       PRO  48 115.077   4.158   4.158
  337   2HB   PRO  48          1HB       PRO  48 116.389   5.283   5.283
  338   1HG   PRO  48          2HG       PRO  48 116.512   2.597   2.597
  339   2HG   PRO  48          1HG       PRO  48 117.668   3.404   3.404
  340   1HD   PRO  48          2HD       PRO  48 117.907   3.140   3.140
  341   2HD   PRO  48          1HD       PRO  48 118.804   4.295   4.295
  342    H    ILE  49           H        ILE  49 115.830   3.478   3.478
  343    HA   ILE  49           HA       ILE  49 112.847   3.351   3.351
  344    HB   ILE  49           HB       ILE  49 115.089   1.388   1.388
  345   1HG1  ILE  49          2HG1      ILE  49 112.873   1.647   1.647
  346   2HG1  ILE  49          1HG1      ILE  49 114.607   1.518   1.518
  347   1HG2  ILE  49          3HG2      ILE  49 113.257   1.191   1.191
  348   2HG2  ILE  49          2HG2      ILE  49 112.107   0.968   0.968
  349   3HG2  ILE  49          1HG2      ILE  49 113.378  -0.223  -0.223
  350   1HD1  ILE  49          2HD1      ILE  49 114.195  -0.799  -0.799
  351   2HD1  ILE  49          1HD1      ILE  49 112.615  -0.611  -0.611
  352   3HD1  ILE  49          3HD1      ILE  49 114.069  -0.675  -0.675
  353    H    GLN  50           H        GLN  50 115.803   3.374   3.374
  354    HA   GLN  50           HA       GLN  50 114.662   3.270   3.270
  355   1HB   GLN  50          2HB       GLN  50 117.132   3.826   3.826
  356   2HB   GLN  50          1HB       GLN  50 116.755   5.304   5.304
  357   1HG   GLN  50          2HG       GLN  50 116.677   4.220   4.220
  358   2HG   GLN  50          1HG       GLN  50 116.351   2.647   2.647
  359   1HE2  GLN  50          1HE2      GLN  50 118.928   5.057   5.057
  360   2HE2  GLN  50          2HE2      GLN  50 120.215   3.979   3.979
  361    H    VAL  51           H        VAL  51 114.472   5.834   5.834
  362    HA   VAL  51           HA       VAL  51 113.394   7.744   7.744
  363    HB   VAL  51           HB       VAL  51 115.213   8.343   8.343
  364   1HG1  VAL  51          2HG1      VAL  51 113.967   6.937   6.937
  365   2HG1  VAL  51          1HG1      VAL  51 113.095   8.442   8.442
  366   3HG1  VAL  51          3HG1      VAL  51 114.847   8.393   8.393
  367   1HG2  VAL  51          1HG2      VAL  51 113.246   9.894   9.894
  368   2HG2  VAL  51          3HG2      VAL  51 114.449  10.510  10.510
  369   3HG2  VAL  51          2HG2      VAL  51 112.862  10.014  10.014
  370    H    MET  52           H        MET  52 112.124   5.288   5.288
  371    HA   MET  52           HA       MET  52 109.791   6.746   6.746
  372   1HB   MET  52          2HB       MET  52 109.253   4.645   4.645
  373   2HB   MET  52          1HB       MET  52 111.004   4.807   4.807
  374   1HG   MET  52          2HG       MET  52 111.111   2.765   2.765
  375   2HG   MET  52          1HG       MET  52 110.627   3.577   3.577
  376   1HE   MET  52          2HE       MET  52 110.461   0.894   0.894
  377   2HE   MET  52          1HE       MET  52 109.081   0.938   0.938
  378   3HE   MET  52          3HE       MET  52 108.977   0.055   0.055
  379    H    MET  53           H        MET  53 107.675   6.522   6.522
  380    HA   MET  53           HA       MET  53 107.256   6.274   6.274
  381   1HB   MET  53          2HB       MET  53 105.755   6.644   6.644
  382   2HB   MET  53          1HB       MET  53 104.912   5.458   5.458
  383   1HG   MET  53          2HG       MET  53 105.935   7.753   7.753
  384   2HG   MET  53          1HG       MET  53 104.743   8.199   8.199
  385   1HE   MET  53          3HE       MET  53 102.965   6.685   6.685
  386   2HE   MET  53          2HE       MET  53 102.773   5.137   5.137
  387   3HE   MET  53          1HE       MET  53 101.669   6.462   6.462
  388    H    MET  54           H        MET  54 107.915   4.409   4.409
  389    HA   MET  54           HA       MET  54 107.979   1.784   1.784
  390   1HB   MET  54          2HB       MET  54 107.836   2.933   2.933
  391   2HB   MET  54          1HB       MET  54 107.984   1.197   1.197
  392   1HG   MET  54          2HG       MET  54 109.852   3.222   3.222
  393   2HG   MET  54          1HG       MET  54 110.190   2.429   2.429
  394   1HE   MET  54          3HE       MET  54 112.005   2.410   2.410
  395   2HE   MET  54          2HE       MET  54 111.908   1.025   1.025
  396   3HE   MET  54          1HE       MET  54 110.709   2.309   2.309
  397    H    GLY  55           H        GLY  55 105.253   3.652   3.652
  398   1HA   GLY  55          2HA       GLY  55 103.550   1.417   1.417
  399   2HA   GLY  55          1HA       GLY  55 103.017   3.067   3.067
  400    H    SER  56           H        SER  56 105.001   1.880   1.880
  401    HA   SER  56           HA       SER  56 102.706   0.817   0.817
  402   1HB   SER  56          2HB       SER  56 104.315   3.318   3.318
  403   2HB   SER  56          1HB       SER  56 103.700   2.451   2.451
  404    HG   SER  56           HG       SER  56 102.313   4.135   4.135
  405    H    ALA  57           H        ALA  57 103.928  -1.234  -1.234
  406    HA   ALA  57           HA       ALA  57 106.676  -1.528  -1.528
  407   1HB   ALA  57          1HB       ALA  57 104.217  -3.239  -3.239
  408   2HB   ALA  57          3HB       ALA  57 105.632  -3.880  -3.880
  409   3HB   ALA  57          2HB       ALA  57 105.746  -3.415  -3.415
  410    H    ARG  58           H        ARG  58 103.706  -1.210  -1.210
  411    HA   ARG  58           HA       ARG  58 104.427  -2.175  -2.175
  412   1HB   ARG  58          2HB       ARG  58 102.785   0.144   0.144
  413   2HB   ARG  58          1HB       ARG  58 102.958  -0.128  -0.128
  414   1HG   ARG  58          2HG       ARG  58 101.309  -1.650  -1.650
  415   2HG   ARG  58          1HG       ARG  58 102.393  -2.659  -2.659
  416   1HD   ARG  58          2HD       ARG  58 101.288  -0.577  -0.577
  417   2HD   ARG  58          1HD       ARG  58  99.976  -1.463  -1.463
  418    HE   ARG  58           HE       ARG  58 102.019  -2.654  -2.654
  419   1HH1  ARG  58          2HH1      ARG  58 100.816  -3.926  -3.926
  420   2HH1  ARG  58          1HH1      ARG  58  99.810  -5.131  -5.131
  421   1HH2  ARG  58          1HH2      ARG  58 100.073  -3.798  -3.798
  422   2HH2  ARG  58          2HH2      ARG  58  99.389  -5.060  -5.060
  423    H    VAL  59           H        VAL  59 105.499   0.743   0.743
  424    HA   VAL  59           HA       VAL  59 106.738   1.962   1.962
  425    HB   VAL  59           HB       VAL  59 107.384   2.391   2.391
  426   1HG1  VAL  59          1HG1      VAL  59 108.398   3.507   3.507
  427   2HG1  VAL  59          3HG1      VAL  59 107.186   4.683   4.683
  428   3HG1  VAL  59          2HG1      VAL  59 108.487   4.218   4.218
  429   1HG2  VAL  59          3HG2      VAL  59 104.826   2.585   2.585
  430   2HG2  VAL  59          2HG2      VAL  59 105.354   3.315   3.315
  431   3HG2  VAL  59          1HG2      VAL  59 105.434   4.239   4.239
  432    H    ALA  60           H        ALA  60 108.079   0.357   0.357
  433    HA   ALA  60           HA       ALA  60 110.781   0.228   0.228
  434   1HB   ALA  60          3HB       ALA  60 108.913  -1.113  -1.113
  435   2HB   ALA  60          2HB       ALA  60 110.148  -2.231  -2.231
  436   3HB   ALA  60          1HB       ALA  60 110.619  -0.748  -0.748
  437    H    GLU  61           H        GLU  61 108.192  -2.119  -2.119
  438    HA   GLU  61           HA       GLU  61 109.705  -3.983  -3.983
  439   1HB   GLU  61          2HB       GLU  61 107.327  -4.166  -4.166
  440   2HB   GLU  61          1HB       GLU  61 106.885  -2.959  -2.959
  441   1HG   GLU  61          2HG       GLU  61 106.513  -4.801  -4.801
  442   2HG   GLU  61          1HG       GLU  61 108.255  -4.705  -4.705
  443    H    LEU  62           H        LEU  62 108.112  -0.978  -0.978
  444    HA   LEU  62           HA       LEU  62 108.624  -1.035  -1.035
  445   1HB   LEU  62          2HB       LEU  62 107.903   0.825   0.825
  446   2HB   LEU  62          1HB       LEU  62 109.135   1.585   1.585
  447    HG   LEU  62           HG       LEU  62 106.465   0.461   0.461
  448   1HD1  LEU  62          1HD1      LEU  62 107.108   2.926   2.926
  449   2HD1  LEU  62          3HD1      LEU  62 107.463   3.140   3.140
  450   3HD1  LEU  62          2HD1      LEU  62 105.855   2.645   2.645
  451   1HD2  LEU  62          1HD2      LEU  62 108.850   0.331   0.331
  452   2HD2  LEU  62          3HD2      LEU  62 107.210   0.198   0.198
  453   3HD2  LEU  62          2HD2      LEU  62 108.021   1.763   1.763
  454    H    LEU  63           H        LEU  63 110.639   0.768   0.768
  455    HA   LEU  63           HA       LEU  63 112.888   0.988   0.988
  456   1HB   LEU  63          2HB       LEU  63 112.599   1.258   1.258
  457   2HB   LEU  63          1HB       LEU  63 113.983   1.831   1.831
  458    HG   LEU  63           HG       LEU  63 111.163   2.698   2.698
  459   1HD1  LEU  63          2HD1      LEU  63 113.104   3.790   3.790
  460   2HD1  LEU  63          1HD1      LEU  63 111.915   4.835   4.835
  461   3HD1  LEU  63          3HD1      LEU  63 111.382   3.460   3.460
  462   1HD2  LEU  63          2HD2      LEU  63 112.957   3.023   3.023
  463   2HD2  LEU  63          1HD2      LEU  63 112.345   4.560   4.560
  464   3HD2  LEU  63          3HD2      LEU  63 113.889   3.934   3.934
  465    H    LEU  64           H        LEU  64 112.365  -1.062  -1.062
  466    HA   LEU  64           HA       LEU  64 114.764  -2.429  -2.429
  467   1HB   LEU  64          2HB       LEU  64 112.820  -2.713  -2.713
  468   2HB   LEU  64          1HB       LEU  64 111.944  -3.531  -3.531
  469    HG   LEU  64           HG       LEU  64 114.554  -4.743  -4.743
  470   1HD1  LEU  64          1HD1      LEU  64 112.934  -4.054  -4.054
  471   2HD1  LEU  64          3HD1      LEU  64 113.362  -5.761  -5.761
  472   3HD1  LEU  64          2HD1      LEU  64 114.626  -4.532  -4.532
  473   1HD2  LEU  64          2HD2      LEU  64 111.848  -5.463  -5.463
  474   2HD2  LEU  64          1HD2      LEU  64 113.308  -6.438  -6.438
  475   3HD2  LEU  64          3HD2      LEU  64 112.387  -6.467  -6.467
  476    H    LEU  65           H        LEU  65 112.024  -3.877  -3.877
  477    HA   LEU  65           HA       LEU  65 113.557  -5.798  -5.798
  478   1HB   LEU  65          2HB       LEU  65 111.551  -6.242  -6.242
  479   2HB   LEU  65          1HB       LEU  65 110.954  -5.269  -5.269
  480    HG   LEU  65           HG       LEU  65 111.406  -3.261  -3.261
  481   1HD1  LEU  65          3HD1      LEU  65 111.526  -5.722  -5.722
  482   2HD1  LEU  65          2HD1      LEU  65 110.566  -4.387  -4.387
  483   3HD1  LEU  65          1HD1      LEU  65 112.271  -4.146  -4.146
  484   1HD2  LEU  65          1HD2      LEU  65 109.117  -5.149  -5.149
  485   2HD2  LEU  65          3HD2      LEU  65 109.190  -3.419  -3.419
  486   3HD2  LEU  65          2HD2      LEU  65 109.035  -3.998  -3.998
  487    H    HIS  66           H        HIS  66 113.221  -2.373  -2.373
  488    HA   HIS  66           HA       HIS  66 114.171  -2.393  -2.393
  489   1HB   HIS  66          2HB       HIS  66 113.113  -0.609  -0.609
  490   2HB   HIS  66          1HB       HIS  66 114.503   0.111   0.111
  491    HD1  HIS  66           HD1      HIS  66 113.589   1.643   1.643
  492    HD2  HIS  66           HD2      HIS  66 111.589  -2.013  -2.013
  493    HE1  HIS  66           HE1      HIS  66 111.927   1.694   1.694
  494    H    GLY  67           H        GLY  67 115.557  -1.658  -1.658
  495   1HA   GLY  67          2HA       GLY  67 118.001  -2.680  -2.680
  496   2HA   GLY  67          1HA       GLY  67 118.210  -1.369  -1.369
  497    H    ALA  68           H        ALA  68 116.174  -1.173  -1.173
  498    HA   ALA  68           HA       ALA  68 117.419   1.314   1.314
  499   1HB   ALA  68          3HB       ALA  68 115.288  -0.510  -0.510
  500   2HB   ALA  68          2HB       ALA  68 116.110   0.227   0.227
  501   3HB   ALA  68          1HB       ALA  68 115.369   1.244   1.244
  502    H    GLU  69           H        GLU  69 118.037   1.186   1.186
  503    HA   GLU  69           HA       GLU  69 120.316  -0.756  -0.756
  504   1HB   GLU  69          2HB       GLU  69 119.854   2.065   2.065
  505   2HB   GLU  69          1HB       GLU  69 121.023   1.083   1.083
  506   1HG   GLU  69          2HG       GLU  69 122.217   0.590   0.590
  507   2HG   GLU  69          1HG       GLU  69 121.043   1.551   1.551
  508    HA   PRO  70           HA       PRO  70 117.288  -1.941  -1.941
  509   1HB   PRO  70          2HB       PRO  70 117.352  -4.626  -4.626
  510   2HB   PRO  70          1HB       PRO  70 116.231  -3.504  -3.504
  511   1HG   PRO  70          2HG       PRO  70 118.803  -4.633  -4.633
  512   2HG   PRO  70          1HG       PRO  70 117.278  -4.373  -4.373
  513   1HD   PRO  70          2HD       PRO  70 119.402  -2.708  -2.708
  514   2HD   PRO  70          1HD       PRO  70 117.719  -2.156  -2.156
  515    H    ASN  71           H        ASN  71 120.541  -2.536  -2.536
  516    HA   ASN  71           HA       ASN  71 121.075  -3.999  -3.999
  517   1HB   ASN  71          2HB       ASN  71 121.721  -4.751  -4.751
  518   2HB   ASN  71          1HB       ASN  71 123.053  -3.618  -3.618
  519   1HD2  ASN  71          1HD2      ASN  71 123.529  -6.435  -6.435
  520   2HD2  ASN  71          2HD2      ASN  71 124.090  -7.005  -7.005
  521    H    CYS  72           H        CYS  72 122.651  -1.543  -1.543
  522    HA   CYS  72           HA       CYS  72 124.541  -0.524  -0.524
  523   1HB   CYS  72          2HB       CYS  72 123.624   0.063   0.063
  524   2HB   CYS  72          1HB       CYS  72 122.966   1.438   1.438
  525    HG   CYS  72           HG       CYS  72 125.525   1.810   1.810
  526    H    ALA  73           H        ALA  73 124.550   1.460   1.460
  527    HA   ALA  73           HA       ALA  73 121.934   2.358   2.358
  528   1HB   ALA  73          3HB       ALA  73 123.149   0.233   0.233
  529   2HB   ALA  73          2HB       ALA  73 124.027   1.514   1.514
  530   3HB   ALA  73          1HB       ALA  73 122.272   1.420   1.420
  531    H    ASP  74           H        ASP  74 123.510   3.432   3.432
  532    HA   ASP  74           HA       ASP  74 124.844   5.712   5.712
  533   1HB   ASP  74          2HB       ASP  74 122.697   6.098   6.098
  534   2HB   ASP  74          1HB       ASP  74 123.539   5.594   5.594
  535    HA   PRO  75           HA       PRO  75 128.458   4.196   4.196
  536   1HB   PRO  75          2HB       PRO  75 130.121   6.312   6.312
  537   2HB   PRO  75          1HB       PRO  75 129.711   5.094   5.094
  538   1HG   PRO  75          2HG       PRO  75 128.617   7.837   7.837
  539   2HG   PRO  75          1HG       PRO  75 129.005   6.971   6.971
  540   1HD   PRO  75          2HD       PRO  75 126.470   7.247   7.247
  541   2HD   PRO  75          1HD       PRO  75 126.991   5.884   5.884
  542    H    ALA  76           H        ALA  76 126.520   6.795   6.795
  543    HA   ALA  76           HA       ALA  76 128.259   7.621   7.621
  544   1HB   ALA  76          2HB       ALA  76 125.537   8.506   8.506
  545   2HB   ALA  76          1HB       ALA  76 126.411   9.277   9.277
  546   3HB   ALA  76          3HB       ALA  76 127.075   9.311   9.311
  547    H    THR  77           H        THR  77 125.099   6.077   6.077
  548    HA   THR  77           HA       THR  77 125.169   5.019   5.019
  549    HB   THR  77           HB       THR  77 122.495   5.398   5.398
  550    HG1  THR  77           HG1      THR  77 122.521   7.541   7.541
  551   1HG2  THR  77          2HG2      THR  77 123.800   5.384   5.384
  552   2HG2  THR  77          1HG2      THR  77 123.382   7.084   7.084
  553   3HG2  THR  77          3HG2      THR  77 122.121   5.852   5.852
  554    H    LEU  78           H        LEU  78 125.402   4.173   4.173
  555    HA   LEU  78           HA       LEU  78 124.932   2.241   2.241
  556   1HB   LEU  78          2HB       LEU  78 125.710   1.617   1.617
  557   2HB   LEU  78          1HB       LEU  78 124.649   0.360   0.360
  558    HG   LEU  78           HG       LEU  78 127.264   1.328   1.328
  559   1HD1  LEU  78          2HD1      LEU  78 126.339  -0.970  -0.970
  560   2HD1  LEU  78          1HD1      LEU  78 127.151  -1.454  -1.454
  561   3HD1  LEU  78          3HD1      LEU  78 127.984  -0.425  -0.425
  562   1HD2  LEU  78          1HD2      LEU  78 124.920   0.235   0.235
  563   2HD2  LEU  78          3HD2      LEU  78 126.403   0.901   0.901
  564   3HD2  LEU  78          2HD2      LEU  78 126.337  -0.795  -0.795
  565    H    THR  79           H        THR  79 122.587   3.765   3.765
  566    HA   THR  79           HA       THR  79 120.462   2.058   2.058
  567    HB   THR  79           HB       THR  79 120.592   4.635   4.635
  568    HG1  THR  79           HG1      THR  79 121.280   4.698   4.698
  569   1HG2  THR  79          3HG2      THR  79 118.319   2.881   2.881
  570   2HG2  THR  79          2HG2      THR  79 118.089   4.500   4.500
  571   3HG2  THR  79          1HG2      THR  79 118.421   4.291   4.291
  572    H    ARG  80           H        ARG  80 120.518   0.098   0.098
  573    HA   ARG  80           HA       ARG  80 120.514   0.108   0.108
  574   1HB   ARG  80          2HB       ARG  80 120.770  -1.725  -1.725
  575   2HB   ARG  80          1HB       ARG  80 119.267  -2.195  -2.195
  576   1HG   ARG  80          2HG       ARG  80 120.593  -3.283  -3.283
  577   2HG   ARG  80          1HG       ARG  80 120.929  -1.685  -1.685
  578   1HD   ARG  80          2HD       ARG  80 123.081  -1.763  -1.763
  579   2HD   ARG  80          1HD       ARG  80 122.601  -2.257  -2.257
  580    HE   ARG  80           HE       ARG  80 122.198  -4.578  -4.578
  581   1HH1  ARG  80          2HH1      ARG  80 123.721  -2.906  -2.906
  582   2HH1  ARG  80          1HH1      ARG  80 125.221  -3.770  -3.770
  583   1HH2  ARG  80          1HH2      ARG  80 124.526  -5.431  -5.431
  584   2HH2  ARG  80          2HH2      ARG  80 125.676  -5.195  -5.195
  585    HA   PRO  81           HA       PRO  81 116.210   0.812   0.812
  586   1HB   PRO  81          2HB       PRO  81 115.537  -0.943  -0.943
  587   2HB   PRO  81          1HB       PRO  81 116.527   0.503   0.503
  588   1HG   PRO  81          2HG       PRO  81 117.341  -2.333  -2.333
  589   2HG   PRO  81          1HG       PRO  81 118.031  -1.034  -1.034
  590   1HD   PRO  81          2HD       PRO  81 119.100  -1.981  -1.981
  591   2HD   PRO  81          1HD       PRO  81 119.461  -0.397  -0.397
  592    H    VAL  82           H        VAL  82 117.269  -2.036  -2.036
  593    HA   VAL  82           HA       VAL  82 114.777  -3.537  -3.537
  594    HB   VAL  82           HB       VAL  82 117.156  -3.670  -3.670
  595   1HG1  VAL  82          2HG1      VAL  82 114.812  -5.067  -5.067
  596   2HG1  VAL  82          1HG1      VAL  82 115.820  -6.104  -6.104
  597   3HG1  VAL  82          3HG1      VAL  82 116.340  -5.690  -5.690
  598   1HG2  VAL  82          3HG2      VAL  82 117.146  -4.030  -4.030
  599   2HG2  VAL  82          2HG2      VAL  82 118.481  -4.259  -4.259
  600   3HG2  VAL  82          1HG2      VAL  82 117.392  -5.599  -5.599
  601    H    HIS  83           H        HIS  83 116.402  -1.153  -1.153
  602    HA   HIS  83           HA       HIS  83 114.679  -1.433  -1.433
  603   1HB   HIS  83          2HB       HIS  83 116.351   0.873   0.873
  604   2HB   HIS  83          1HB       HIS  83 115.663   0.798   0.798
  605    HD2  HIS  83           HD2      HIS  83 117.380  -0.446  -0.446
  606    HE1  HIS  83           HE1      HIS  83 119.636  -2.671  -2.671
  607    HE2  HIS  83           HE2      HIS  83 119.353  -2.088  -2.088
  608    H    ASP  84           H        ASP  84 114.593   0.525   0.525
  609    HA   ASP  84           HA       ASP  84 112.508   2.334   2.334
  610   1HB   ASP  84          2HB       ASP  84 113.081   0.902   0.902
  611   2HB   ASP  84          1HB       ASP  84 112.266   2.453   2.453
  612    H    ALA  85           H        ALA  85 112.185  -0.827  -0.827
  613    HA   ALA  85           HA       ALA  85 109.362  -0.907  -0.907
  614   1HB   ALA  85          1HB       ALA  85 111.470  -2.478  -2.478
  615   2HB   ALA  85          3HB       ALA  85 110.800  -3.433  -3.433
  616   3HB   ALA  85          2HB       ALA  85 109.794  -3.019  -3.019
  617    H    ALA  86           H        ALA  86 111.351  -2.643  -2.643
  618    HA   ALA  86           HA       ALA  86 109.269  -3.361  -3.361
  619   1HB   ALA  86          1HB       ALA  86 111.913  -3.818  -3.818
  620   2HB   ALA  86          3HB       ALA  86 111.940  -2.621  -2.621
  621   3HB   ALA  86          2HB       ALA  86 111.024  -4.113  -4.113
  622    H    ARG  87           H        ARG  87 111.409  -0.474  -0.474
  623    HA   ARG  87           HA       ARG  87 110.425   0.685   0.685
  624   1HB   ARG  87          2HB       ARG  87 112.305   1.502   1.502
  625   2HB   ARG  87          1HB       ARG  87 111.153   2.063   2.063
  626   1HG   ARG  87          2HG       ARG  87 110.795   2.973   2.973
  627   2HG   ARG  87          1HG       ARG  87 112.067   3.720   3.720
  628   1HD   ARG  87          2HD       ARG  87 110.541   4.971   4.971
  629   2HD   ARG  87          1HD       ARG  87 109.611   3.522   3.522
  630    HE   ARG  87           HE       ARG  87 108.430   3.710   3.710
  631   1HH1  ARG  87          2HH1      ARG  87 110.868   5.387   5.387
  632   2HH1  ARG  87          1HH1      ARG  87 110.059   6.892   6.892
  633   1HH2  ARG  87          1HH2      ARG  87 107.247   6.037   6.037
  634   2HH2  ARG  87          2HH2      ARG  87 108.015   7.260   7.260
  635    H    GLU  88           H        GLU  88 108.891   0.645   0.645
  636    HA   GLU  88           HA       GLU  88 106.711   2.428   2.428
  637   1HB   GLU  88          2HB       GLU  88 107.927   2.472   2.472
  638   2HB   GLU  88          1HB       GLU  88 106.972   1.040   1.040
  639   1HG   GLU  88          2HG       GLU  88 105.575   2.731   2.731
  640   2HG   GLU  88          1HG       GLU  88 104.959   2.510   2.510
  641    H    GLY  89           H        GLY  89 107.402  -0.868  -0.868
  642   1HA   GLY  89          2HA       GLY  89 106.004  -2.611  -2.611
  643   2HA   GLY  89          1HA       GLY  89 104.626  -1.518  -1.518
  644    H    PHE  90           H        PHE  90 106.782  -1.909  -1.909
  645    HA   PHE  90           HA       PHE  90 104.545  -3.152  -3.152
  646   1HB   PHE  90          2HB       PHE  90 106.314  -1.074  -1.074
  647   2HB   PHE  90          1HB       PHE  90 106.990  -2.392  -2.392
  648    HD1  PHE  90           HD2      PHE  90 103.832  -0.530  -0.530
  649    HD2  PHE  90           HD1      PHE  90 105.976  -3.059  -3.059
  650    HE1  PHE  90           HE2      PHE  90 102.061  -0.198  -0.198
  651    HE2  PHE  90           HE1      PHE  90 104.202  -2.733  -2.733
  652    HZ   PHE  90           HZ       PHE  90 102.259  -1.297  -1.297
  653    H    LEU  91           H        LEU  91 104.775  -5.135  -5.135
  654    HA   LEU  91           HA       LEU  91 107.263  -6.683  -6.683
  655   1HB   LEU  91          2HB       LEU  91 104.581  -7.103  -7.103
  656   2HB   LEU  91          1HB       LEU  91 104.866  -8.210  -8.210
  657    HG   LEU  91           HG       LEU  91 106.858  -8.027  -8.027
  658   1HD1  LEU  91          1HD1      LEU  91 104.198  -9.440  -9.440
  659   2HD1  LEU  91          3HD1      LEU  91 105.551 -10.082 -10.082
  660   3HD1  LEU  91          2HD1      LEU  91 104.917  -8.478  -8.478
  661   1HD2  LEU  91          1HD2      LEU  91 106.206  -9.811  -9.811
  662   2HD2  LEU  91          3HD2      LEU  91 107.771  -9.434  -9.434
  663   3HD2  LEU  91          2HD2      LEU  91 106.710 -10.618 -10.618
  664    H    ASP  92           H        ASP  92 104.718  -6.096  -6.096
  665    HA   ASP  92           HA       ASP  92 105.535  -7.813  -7.813
  666   1HB   ASP  92          2HB       ASP  92 103.629  -5.937  -5.937
  667   2HB   ASP  92          1HB       ASP  92 104.723  -5.035  -5.035
  668    H    THR  93           H        THR  93 106.816  -4.657  -4.657
  669    HA   THR  93           HA       THR  93 108.552  -4.197  -4.197
  670    HB   THR  93           HB       THR  93 108.443  -3.399  -3.399
  671    HG1  THR  93           HG1      THR  93 107.832  -2.313  -2.313
  672   1HG2  THR  93          3HG2      THR  93 110.550  -2.611  -2.611
  673   2HG2  THR  93          2HG2      THR  93 110.251  -1.725  -1.725
  674   3HG2  THR  93          1HG2      THR  93 110.819  -3.394  -3.394
  675    H    LEU  94           H        LEU  94 109.216  -5.748  -5.748
  676    HA   LEU  94           HA       LEU  94 111.933  -6.441  -6.441
  677   1HB   LEU  94          2HB       LEU  94 109.697  -7.717  -7.717
  678   2HB   LEU  94          1HB       LEU  94 111.375  -8.246  -8.246
  679    HG   LEU  94           HG       LEU  94 111.558  -5.483  -5.483
  680   1HD1  LEU  94          2HD1      LEU  94 109.118  -6.522  -6.522
  681   2HD1  LEU  94          1HD1      LEU  94 109.942  -5.021  -5.021
  682   3HD1  LEU  94          3HD1      LEU  94 109.178  -5.197  -5.197
  683   1HD2  LEU  94          1HD2      LEU  94 112.051  -7.853  -7.853
  684   2HD2  LEU  94          3HD2      LEU  94 112.832  -6.279  -6.279
  685   3HD2  LEU  94          2HD2      LEU  94 111.372  -6.618  -6.618
  686    H    VAL  95           H        VAL  95 108.941  -8.279  -8.279
  687    HA   VAL  95           HA       VAL  95 110.111 -10.644 -10.644
  688    HB   VAL  95           HB       VAL  95 107.581  -9.118  -9.118
  689   1HG1  VAL  95          2HG1      VAL  95 108.357 -10.790 -10.790
  690   2HG1  VAL  95          1HG1      VAL  95 108.159 -12.043 -12.043
  691   3HG1  VAL  95          3HG1      VAL  95 106.765 -11.105 -11.105
  692   1HG2  VAL  95          2HG2      VAL  95 108.420 -10.814 -10.814
  693   2HG2  VAL  95          1HG2      VAL  95 106.960  -9.837  -9.837
  694   3HG2  VAL  95          3HG2      VAL  95 107.003 -11.476 -11.476
  695    H    VAL  96           H        VAL  96 109.288  -7.576  -7.576
  696    HA   VAL  96           HA       VAL  96 110.057  -8.275  -8.275
  697    HB   VAL  96           HB       VAL  96 110.220  -5.614  -5.614
  698   1HG1  VAL  96          2HG1      VAL  96 110.324  -6.458  -6.458
  699   2HG1  VAL  96          1HG1      VAL  96 109.502  -4.948  -4.948
  700   3HG1  VAL  96          3HG1      VAL  96 111.197  -5.166  -5.166
  701   1HG2  VAL  96          1HG2      VAL  96 107.981  -7.243  -7.243
  702   2HG2  VAL  96          3HG2      VAL  96 107.955  -5.506  -5.506
  703   3HG2  VAL  96          2HG2      VAL  96 107.873  -6.115  -6.115
  704    H    LEU  97           H        LEU  97 111.903  -6.775  -6.775
  705    HA   LEU  97           HA       LEU  97 114.372  -6.384  -6.384
  706   1HB   LEU  97          2HB       LEU  97 113.699  -7.077  -7.077
  707   2HB   LEU  97          1HB       LEU  97 115.263  -6.457  -6.457
  708    HG   LEU  97           HG       LEU  97 112.623  -5.036  -5.036
  709   1HD1  LEU  97          2HD1      LEU  97 114.707  -4.853  -4.853
  710   2HD1  LEU  97          1HD1      LEU  97 113.797  -3.416  -3.416
  711   3HD1  LEU  97          3HD1      LEU  97 112.949  -4.832  -4.832
  712   1HD2  LEU  97          2HD2      LEU  97 115.127  -4.752  -4.752
  713   2HD2  LEU  97          1HD2      LEU  97 113.778  -3.620  -3.620
  714   3HD2  LEU  97          3HD2      LEU  97 115.036  -3.429  -3.429
  715    H    HIS  98           H        HIS  98 113.237  -9.230  -9.230
  716    HA   HIS  98           HA       HIS  98 115.630 -10.793 -10.793
  717   1HB   HIS  98          2HB       HIS  98 113.801 -10.819 -10.819
  718   2HB   HIS  98          1HB       HIS  98 113.030 -11.982 -11.982
  719    HD1  HIS  98           HD1      HIS  98 113.851 -13.355 -13.355
  720    HD2  HIS  98           HD2      HIS  98 116.666 -12.573 -12.573
  721    HE1  HIS  98           HE1      HIS  98 115.773 -14.958 -14.958
  722    H    ARG  99           H        ARG  99 112.471 -10.270 -10.270
  723    HA   ARG  99           HA       ARG  99 112.347 -12.611 -12.611
  724   1HB   ARG  99          2HB       ARG  99 110.432 -11.159 -11.159
  725   2HB   ARG  99          1HB       ARG  99 111.172  -9.831  -9.831
  726   1HG   ARG  99          2HG       ARG  99 110.651 -10.733 -10.733
  727   2HG   ARG  99          1HG       ARG  99 110.804 -12.394 -12.394
  728   1HD   ARG  99          2HD       ARG  99 108.656 -12.205 -12.205
  729   2HD   ARG  99          1HD       ARG  99 108.505 -10.516 -10.516
  730    HE   ARG  99           HE       ARG  99 108.981 -12.093 -12.093
  731   1HH1  ARG  99          1HH2      ARG  99 106.629 -10.188 -10.188
  732   2HH1  ARG  99          2HH2      ARG  99 105.288 -11.250 -11.250
  733   1HH2  ARG  99          2HH1      ARG  99 107.252 -14.102 -14.102
  734   2HH2  ARG  99          1HH1      ARG  99 105.642 -13.470 -13.470
  735    H    ALA 100           H        ALA 100 114.324  -9.833  -9.833
  736    HA   ALA 100           HA       ALA 100 115.057 -10.483 -10.483
  737   1HB   ALA 100          2HB       ALA 100 114.170  -8.041  -8.041
  738   2HB   ALA 100          1HB       ALA 100 115.700  -7.817  -7.817
  739   3HB   ALA 100          3HB       ALA 100 114.285  -8.397  -8.397
  740    H    GLY 101           H        GLY 101 116.482  -8.306  -8.306
  741   1HA   GLY 101          2HA       GLY 101 118.677 -10.034 -10.034
  742   2HA   GLY 101          1HA       GLY 101 119.151  -8.902  -8.902
  743    H    ALA 102           H        ALA 102 118.694  -9.290  -9.290
  744    HA   ALA 102           HA       ALA 102 119.500  -6.461  -6.461
  745   1HB   ALA 102          3HB       ALA 102 116.871  -7.156  -7.156
  746   2HB   ALA 102          2HB       ALA 102 117.344  -7.470  -7.470
  747   3HB   ALA 102          1HB       ALA 102 117.569  -5.865  -5.865
  748    H    ARG 103           H        ARG 103 119.326  -6.420  -6.420
  749    HA   ARG 103           HA       ARG 103 120.662  -8.865  -8.865
  750   1HB   ARG 103          2HB       ARG 103 122.474  -7.572  -7.572
  751   2HB   ARG 103          1HB       ARG 103 121.884  -6.097  -6.097
  752   1HG   ARG 103          2HG       ARG 103 123.047  -6.557  -6.557
  753   2HG   ARG 103          1HG       ARG 103 122.242  -8.114  -8.114
  754   1HD   ARG 103          2HD       ARG 103 124.191  -8.249  -8.249
  755   2HD   ARG 103          1HD       ARG 103 124.959  -7.672  -7.672
  756    HE   ARG 103           HE       ARG 103 123.254  -9.770  -9.770
  757   1HH1  ARG 103          2HH1      ARG 103 126.382  -9.485  -9.485
  758   2HH1  ARG 103          1HH1      ARG 103 126.818 -10.991 -10.991
  759   1HH2  ARG 103          1HH2      ARG 103 123.626 -11.630 -11.630
  760   2HH2  ARG 103          2HH2      ARG 103 125.257 -12.204 -12.204
  761    H    LEU 104           H        LEU 104 119.135  -9.163  -9.163
  762    HA   LEU 104           HA       LEU 104 118.342  -6.865  -6.865
  763   1HB   LEU 104          2HB       LEU 104 117.541  -9.798  -9.798
  764   2HB   LEU 104          1HB       LEU 104 116.704  -8.456  -8.456
  765    HG   LEU 104           HG       LEU 104 116.881  -7.684  -7.684
  766   1HD1  LEU 104          2HD1      LEU 104 117.548 -10.102 -10.102
  767   2HD1  LEU 104          1HD1      LEU 104 115.939 -10.557 -10.557
  768   3HD1  LEU 104          3HD1      LEU 104 116.124  -9.552  -9.552
  769   1HD2  LEU 104          2HD2      LEU 104 114.927  -8.096  -8.096
  770   2HD2  LEU 104          1HD2      LEU 104 114.691  -7.319  -7.319
  771   3HD2  LEU 104          3HD2      LEU 104 114.382  -9.046  -9.046
  772    H    ASP 105           H        ASP 105 121.033  -8.624  -8.624
  773    HA   ASP 105           HA       ASP 105 121.165  -9.316  -9.316
  774   1HB   ASP 105          2HB       ASP 105 123.211  -9.927  -9.927
  775   2HB   ASP 105          1HB       ASP 105 122.895 -10.808 -10.808
  776    H    VAL 106           H        VAL 106 121.353  -6.502  -6.502
  777    HA   VAL 106           HA       VAL 106 124.214  -5.875  -5.875
  778    HB   VAL 106           HB       VAL 106 122.895  -5.107  -5.107
  779   1HG1  VAL 106          3HG1      VAL 106 121.041  -4.282  -4.282
  780   2HG1  VAL 106          2HG1      VAL 106 121.925  -2.784  -2.784
  781   3HG1  VAL 106          1HG1      VAL 106 121.178  -3.640  -3.640
  782   1HG2  VAL 106          1HG2      VAL 106 125.017  -4.047  -4.047
  783   2HG2  VAL 106          3HG2      VAL 106 124.387  -3.399  -3.399
  784   3HG2  VAL 106          2HG2      VAL 106 123.911  -2.674  -2.674
  785    H    ARG 107           H        ARG 107 124.209  -3.484  -3.484
  786    HA   ARG 107           HA       ARG 107 122.254  -3.431  -3.431
  787   1HB   ARG 107          2HB       ARG 107 124.295  -2.952  -2.952
  788   2HB   ARG 107          1HB       ARG 107 124.164  -4.604  -4.604
  789   1HG   ARG 107          2HG       ARG 107 125.820  -4.238  -4.238
  790   2HG   ARG 107          1HG       ARG 107 125.746  -2.488  -2.488
  791   1HD   ARG 107          2HD       ARG 107 126.851  -2.576  -2.576
  792   2HD   ARG 107          1HD       ARG 107 126.612  -4.331  -4.331
  793    HE   ARG 107           HE       ARG 107 128.708  -3.028  -3.028
  794   1HH1  ARG 107          1HH2      ARG 107 129.086  -5.705  -5.705
  795   2HH1  ARG 107          2HH2      ARG 107 128.994  -6.752  -6.752
  796   1HH2  ARG 107          2HH1      ARG 107 127.481  -4.387  -4.387
  797   2HH2  ARG 107          1HH1      ARG 107 128.087  -6.007  -6.007
  798    H    ASP 108           H        ASP 108 121.813  -1.306  -1.306
  799    HA   ASP 108           HA       ASP 108 122.372   0.846   0.846
  800   1HB   ASP 108          2HB       ASP 108 120.653   0.252   0.252
  801   2HB   ASP 108          1HB       ASP 108 121.506   1.733   1.733
  802    H    ALA 109           H        ALA 109 124.867   0.208   0.208
  803    HA   ALA 109           HA       ALA 109 126.975   0.994   0.994
  804   1HB   ALA 109          1HB       ALA 109 125.025   3.184   3.184
  805   2HB   ALA 109          3HB       ALA 109 126.490   3.383   3.383
  806   3HB   ALA 109          2HB       ALA 109 126.599   3.187   3.187
  807    H    TRP 110           H        TRP 110 124.799   2.109   2.109
  808    HA   TRP 110           HA       TRP 110 126.600   1.610   1.610
  809   1HB   TRP 110          2HB       TRP 110 123.580   1.635   1.635
  810   2HB   TRP 110          1HB       TRP 110 124.459   1.604   1.604
  811    HD1  TRP 110           HD1      TRP 110 126.589   3.590   3.590
  812    HE1  TRP 110           HE1      TRP 110 126.277   6.084   6.084
  813    HE3  TRP 110           HE3      TRP 110 122.175   3.348   3.348
  814    HZ2  TRP 110           HZ2      TRP 110 124.394   7.754   7.754
  815    HZ3  TRP 110           HZ3      TRP 110 121.147   5.398   5.398
  816    HH2  TRP 110           HH2      TRP 110 122.252   7.593   7.593
  817    H    GLY 111           H        GLY 111 123.662  -0.384  -0.384
  818   1HA   GLY 111          2HA       GLY 111 124.936  -2.881  -2.881
  819   2HA   GLY 111          1HA       GLY 111 124.697  -2.593  -2.593
  820    H    ARG 112           H        ARG 112 122.214  -1.069  -1.069
  821    HA   ARG 112           HA       ARG 112 120.250  -3.030  -3.030
  822   1HB   ARG 112          2HB       ARG 112 120.131  -0.235  -0.235
  823   2HB   ARG 112          1HB       ARG 112 118.697  -1.151  -1.151
  824   1HG   ARG 112          2HG       ARG 112 120.914  -0.883  -0.883
  825   2HG   ARG 112          1HG       ARG 112 119.874   0.513   0.513
  826   1HD   ARG 112          2HD       ARG 112 118.344  -1.978  -1.978
  827   2HD   ARG 112          1HD       ARG 112 119.279  -1.574  -1.574
  828    HE   ARG 112           HE       ARG 112 117.220   0.168   0.168
  829   1HH1  ARG 112          2HH1      ARG 112 119.856   1.261   1.261
  830   2HH1  ARG 112          1HH1      ARG 112 119.159   1.749   1.749
  831   1HH2  ARG 112          1HH2      ARG 112 116.189   0.041   0.041
  832   2HH2  ARG 112          2HH2      ARG 112 117.088   1.060   1.060
  833    H    LEU 113           H        LEU 113 119.441  -4.546  -4.546
  834    HA   LEU 113           HA       LEU 113 120.033  -4.395  -4.395
  835   1HB   LEU 113          2HB       LEU 113 118.733  -6.383  -6.383
  836   2HB   LEU 113          1HB       LEU 113 118.812  -6.662  -6.662
  837    HG   LEU 113           HG       LEU 113 121.180  -6.192  -6.192
  838   1HD1  LEU 113          1HD1      LEU 113 119.904  -8.447  -8.447
  839   2HD1  LEU 113          3HD1      LEU 113 120.549  -8.683  -8.683
  840   3HD1  LEU 113          2HD1      LEU 113 121.648  -8.501  -8.501
  841   1HD2  LEU 113          1HD2      LEU 113 120.855  -6.374  -6.374
  842   2HD2  LEU 113          3HD2      LEU 113 121.953  -5.364  -5.364
  843   3HD2  LEU 113          2HD2      LEU 113 122.299  -7.080  -7.080
  844    HA   PRO 114           HA       PRO 114 116.111  -2.947  -2.947
  845   1HB   PRO 114          2HB       PRO 114 115.542  -4.613  -4.613
  846   2HB   PRO 114          1HB       PRO 114 116.772  -3.334  -3.334
  847   1HG   PRO 114          2HG       PRO 114 117.118  -6.258  -6.258
  848   2HG   PRO 114          1HG       PRO 114 118.069  -5.169  -5.169
  849   1HD   PRO 114          2HD       PRO 114 118.915  -5.924  -5.924
  850   2HD   PRO 114          1HD       PRO 114 119.259  -4.310  -4.310
  851    H    VAL 115           H        VAL 115 116.485  -6.287  -6.287
  852    HA   VAL 115           HA       VAL 115 113.607  -6.883  -6.883
  853    HB   VAL 115           HB       VAL 115 115.488  -8.515  -8.515
  854   1HG1  VAL 115          3HG1      VAL 115 116.984  -7.617  -7.617
  855   2HG1  VAL 115          2HG1      VAL 115 115.895  -8.327  -8.327
  856   3HG1  VAL 115          1HG1      VAL 115 116.775  -9.366  -9.366
  857   1HG2  VAL 115          3HG2      VAL 115 113.149  -9.144  -9.144
  858   2HG2  VAL 115          2HG2      VAL 115 114.409 -10.336 -10.336
  859   3HG2  VAL 115          1HG2      VAL 115 113.842  -9.293  -9.293
  860    H    ASP 116           H        ASP 116 116.140  -6.047  -6.047
  861    HA   ASP 116           HA       ASP 116 114.480  -6.373  -6.373
  862   1HB   ASP 116          2HB       ASP 116 117.160  -5.891  -5.891
  863   2HB   ASP 116          1HB       ASP 116 116.649  -4.420  -4.420
  864    H    LEU 117           H        LEU 117 115.289  -3.635  -3.635
  865    HA   LEU 117           HA       LEU 117 114.025  -1.581  -1.581
  866   1HB   LEU 117          2HB       LEU 117 115.681  -1.182  -1.182
  867   2HB   LEU 117          1HB       LEU 117 114.587  -1.859  -1.859
  868    HG   LEU 117           HG       LEU 117 113.398   0.303   0.303
  869   1HD1  LEU 117          2HD1      LEU 117 115.758   1.089   1.089
  870   2HD1  LEU 117          1HD1      LEU 117 115.618   0.929   0.929
  871   3HD1  LEU 117          3HD1      LEU 117 114.621   2.102   2.102
  872   1HD2  LEU 117          1HD2      LEU 117 112.483  -0.847  -0.847
  873   2HD2  LEU 117          3HD2      LEU 117 112.459   0.918   0.918
  874   3HD2  LEU 117          2HD2      LEU 117 113.709   0.050   0.050
  875    H    ALA 118           H        ALA 118 112.863  -3.642  -3.642
  876    HA   ALA 118           HA       ALA 118 110.307  -2.475  -2.475
  877   1HB   ALA 118          3HB       ALA 118 111.727  -4.430  -4.430
  878   2HB   ALA 118          2HB       ALA 118 110.692  -5.441  -5.441
  879   3HB   ALA 118          1HB       ALA 118 109.975  -4.354  -4.354
  880    H    GLU 119           H        GLU 119 111.037  -5.419  -5.419
  881    HA   GLU 119           HA       GLU 119 108.514  -5.768  -5.768
  882   1HB   GLU 119          2HB       GLU 119 111.007  -6.918  -6.918
  883   2HB   GLU 119          1HB       GLU 119 110.844  -6.252  -6.252
  884   1HG   GLU 119          2HG       GLU 119 108.482  -7.687  -7.687
  885   2HG   GLU 119          1HG       GLU 119 109.873  -8.669  -8.669
  886    H    GLU 120           H        GLU 120 111.076  -3.498  -3.498
  887    HA   GLU 120           HA       GLU 120 109.913  -2.717  -2.717
  888   1HB   GLU 120          2HB       GLU 120 112.283  -2.299  -2.299
  889   2HB   GLU 120          1HB       GLU 120 111.607  -0.711  -0.711
  890   1HG   GLU 120          2HG       GLU 120 112.178  -0.860  -0.860
  891   2HG   GLU 120          1HG       GLU 120 111.481  -2.473  -2.473
  892    H    LEU 121           H        LEU 121 109.463  -1.771  -1.771
  893    HA   LEU 121           HA       LEU 121 108.049   0.717   0.717
  894   1HB   LEU 121          2HB       LEU 121 109.178  -0.617  -0.617
  895   2HB   LEU 121          1HB       LEU 121 107.702   0.296   0.296
  896    HG   LEU 121           HG       LEU 121 109.326   1.886   1.886
  897   1HD1  LEU 121          2HD1      LEU 121 110.908   0.195   0.195
  898   2HD1  LEU 121          1HD1      LEU 121 111.040   1.858   1.858
  899   3HD1  LEU 121          3HD1      LEU 121 111.450   1.461   1.461
  900   1HD2  LEU 121          1HD2      LEU 121 107.879   2.049   2.049
  901   2HD2  LEU 121          3HD2      LEU 121 108.334   3.354   3.354
  902   3HD2  LEU 121          2HD2      LEU 121 109.438   2.851   2.851
  903    H    GLY 122           H        GLY 122 107.236  -2.548  -2.548
  904   1HA   GLY 122          2HA       GLY 122 105.019  -3.346  -3.346
  905   2HA   GLY 122          1HA       GLY 122 104.372  -1.856  -1.856
  906    H    HIS 123           H        HIS 123 106.849  -3.278  -3.278
  907    HA   HIS 123           HA       HIS 123 104.788  -4.102  -4.102
  908   1HB   HIS 123          2HB       HIS 123 107.793  -3.708  -3.708
  909   2HB   HIS 123          1HB       HIS 123 106.681  -3.916  -3.916
  910    HD1  HIS 123           HD1      HIS 123 104.398  -2.072  -2.072
  911    HD2  HIS 123           HD2      HIS 123 108.399  -1.004  -1.004
  912    HE1  HIS 123           HE1      HIS 123 104.459   0.460   0.460
  913    H    ARG 124           H        ARG 124 104.958  -5.869  -5.869
  914    HA   ARG 124           HA       ARG 124 106.816  -7.941  -7.941
  915   1HB   ARG 124          2HB       ARG 124 104.898  -9.312  -9.312
  916   2HB   ARG 124          1HB       ARG 124 104.871  -7.699  -7.699
  917   1HG   ARG 124          2HG       ARG 124 103.398  -7.176  -7.176
  918   2HG   ARG 124          1HG       ARG 124 103.057  -8.901  -8.901
  919   1HD   ARG 124          2HD       ARG 124 102.890  -7.735  -7.735
  920   2HD   ARG 124          1HD       ARG 124 101.866  -6.815  -6.815
  921    HE   ARG 124           HE       ARG 124 100.714  -8.897  -8.897
  922   1HH1  ARG 124          1HH2      ARG 124 103.483  -9.846  -9.846
  923   2HH1  ARG 124          2HH2      ARG 124 102.700 -11.002 -11.002
  924   1HH2  ARG 124          2HH1      ARG 124  99.499 -10.088 -10.088
  925   2HH2  ARG 124          1HH1      ARG 124 100.447 -11.141 -11.141
  926    H    ASP 125           H        ASP 125 104.346  -7.297  -7.297
  927    HA   ASP 125           HA       ASP 125 104.433  -9.834  -9.834
  928   1HB   ASP 125          2HB       ASP 125 103.921  -7.073  -7.073
  929   2HB   ASP 125          1HB       ASP 125 103.293  -8.608  -8.608
  930    H    VAL 126           H        VAL 126 106.244  -6.790  -6.790
  931    HA   VAL 126           HA       VAL 126 107.875  -7.866  -7.866
  932    HB   VAL 126           HB       VAL 126 108.362  -5.359  -5.359
  933   1HG1  VAL 126          2HG1      VAL 126 109.280  -6.527  -6.527
  934   2HG1  VAL 126          1HG1      VAL 126 108.876  -4.812  -4.812
  935   3HG1  VAL 126          3HG1      VAL 126 110.091  -5.393  -5.393
  936   1HG2  VAL 126          1HG2      VAL 126 106.421  -5.790  -5.790
  937   2HG2  VAL 126          3HG2      VAL 126 106.003  -5.313  -5.313
  938   3HG2  VAL 126          2HG2      VAL 126 106.906  -4.209  -4.209
  939    H    ALA 127           H        ALA 127 108.237  -7.222  -7.222
  940    HA   ALA 127           HA       ALA 127 111.025  -7.791  -7.791
  941   1HB   ALA 127          2HB       ALA 127 109.257  -6.814  -6.814
  942   2HB   ALA 127          1HB       ALA 127 108.925  -8.498  -8.498
  943   3HB   ALA 127          3HB       ALA 127 110.534  -7.829  -7.829
  944    H    ARG 128           H        ARG 128 108.158  -9.916  -9.916
  945    HA   ARG 128           HA       ARG 128 109.465 -12.358 -12.358
  946   1HB   ARG 128          2HB       ARG 128 107.050 -12.035 -12.035
  947   2HB   ARG 128          1HB       ARG 128 107.002 -11.704 -11.704
  948   1HG   ARG 128          2HG       ARG 128 108.138 -14.122 -14.122
  949   2HG   ARG 128          1HG       ARG 128 107.309 -14.311 -14.311
  950   1HD   ARG 128          2HD       ARG 128 105.198 -13.464 -13.464
  951   2HD   ARG 128          1HD       ARG 128 106.071 -13.654 -13.654
  952    HE   ARG 128           HE       ARG 128 106.502 -16.065 -16.065
  953   1HH1  ARG 128          2HH1      ARG 128 104.156 -14.582 -14.582
  954   2HH1  ARG 128          1HH1      ARG 128 102.906 -15.735 -15.735
  955   1HH2  ARG 128          1HH2      ARG 128 104.701 -17.383 -17.383
  956   2HH2  ARG 128          2HH2      ARG 128 103.217 -17.323 -17.323
  957    H    TYR 129           H        TYR 129 108.245 -11.496 -11.496
  958    HA   TYR 129           HA       TYR 129 109.661 -13.407 -13.407
  959   1HB   TYR 129          2HB       TYR 129 107.883 -11.900 -11.900
  960   2HB   TYR 129          1HB       TYR 129 108.986 -10.531 -10.531
  961    HD1  TYR 129           HD1      TYR 129 109.065 -14.022 -14.022
  962    HD2  TYR 129           HD2      TYR 129 109.978  -9.866  -9.866
  963    HE1  TYR 129           HE1      TYR 129 109.970 -14.545 -14.545
  964    HE2  TYR 129           HE2      TYR 129 110.883 -10.390 -10.390
  965    HH   TYR 129           HH       TYR 129 111.288 -13.705 -13.705
  966    H    LEU 130           H        LEU 130 110.740 -10.175 -10.175
  967    HA   LEU 130           HA       LEU 130 113.246 -10.066 -10.066
  968   1HB   LEU 130          2HB       LEU 130 112.027  -8.960  -8.960
  969   2HB   LEU 130          1HB       LEU 130 113.761  -8.744  -8.744
  970    HG   LEU 130           HG       LEU 130 111.636  -7.986  -7.986
  971   1HD1  LEU 130          3HD1      LEU 130 111.684  -6.637  -6.637
  972   2HD1  LEU 130          2HD1      LEU 130 113.317  -6.146  -6.146
  973   3HD1  LEU 130          1HD1      LEU 130 111.952  -5.717  -5.717
  974   1HD2  LEU 130          1HD2      LEU 130 114.619  -7.983  -7.983
  975   2HD2  LEU 130          3HD2      LEU 130 113.530  -8.208  -8.208
  976   3HD2  LEU 130          2HD2      LEU 130 113.839  -6.588  -6.588
  977    H    ARG 131           H        ARG 131 112.475 -11.302 -11.302
  978    HA   ARG 131           HA       ARG 131 115.053 -12.191 -12.191
  979   1HB   ARG 131          2HB       ARG 131 113.035 -12.023 -12.023
  980   2HB   ARG 131          1HB       ARG 131 112.342 -13.413 -13.413
  981   1HG   ARG 131          2HG       ARG 131 113.708 -14.904 -14.904
  982   2HG   ARG 131          1HG       ARG 131 115.084 -13.799 -13.799
  983   1HD   ARG 131          2HD       ARG 131 114.566 -13.810 -13.810
  984   2HD   ARG 131          1HD       ARG 131 113.548 -12.460 -12.460
  985    HE   ARG 131           HE       ARG 131 111.837 -14.481 -14.481
  986   1HH1  ARG 131          1HH2      ARG 131 113.666 -13.442 -13.442
  987   2HH1  ARG 131          2HH2      ARG 131 112.865 -14.494 -14.494
  988   1HH2  ARG 131          2HH1      ARG 131 110.965 -16.078 -16.078
  989   2HH2  ARG 131          1HH1      ARG 131 111.344 -15.983 -15.983
  990    H    ALA 132           H        ALA 132 112.815 -13.556 -13.556
  991    HA   ALA 132           HA       ALA 132 114.154 -16.185 -16.185
  992   1HB   ALA 132          3HB       ALA 132 111.640 -14.998 -14.998
  993   2HB   ALA 132          2HB       ALA 132 112.343 -15.854 -15.854
  994   3HB   ALA 132          1HB       ALA 132 112.052 -16.708 -16.708
  995    H    ALA 133           H        ALA 133 113.316 -13.868 -13.868
  996    HA   ALA 133           HA       ALA 133 115.444 -14.819 -14.819
  997   1HB   ALA 133          2HB       ALA 133 113.276 -12.779 -12.779
  998   2HB   ALA 133          1HB       ALA 133 114.599 -12.508 -12.508
  999   3HB   ALA 133          3HB       ALA 133 113.656 -13.995 -13.995
 1000    H    ALA 134           H        ALA 134 115.477 -12.698 -12.698
 1001    HA   ALA 134           HA       ALA 134 118.006 -11.428 -11.428
 1002   1HB   ALA 134          2HB       ALA 134 115.707 -10.107 -10.107
 1003   2HB   ALA 134          1HB       ALA 134 116.232 -10.066 -10.066
 1004   3HB   ALA 134          3HB       ALA 134 117.247  -9.365  -9.365
 1005    H    GLY 135           H        GLY 135 116.140 -12.413 -12.413
 1006   1HA   GLY 135          2HA       GLY 135 118.393 -12.147 -12.147
 1007   2HA   GLY 135          1HA       GLY 135 116.872 -12.967 -12.967
 1008    H    GLY 136           H        GLY 136 119.720 -13.437 -13.437
 1009   1HA   GLY 136          2HA       GLY 136 119.402 -16.272 -16.272
 1010   2HA   GLY 136          1HA       GLY 136 120.899 -15.394 -15.394
 1011    H    THR 137           H        THR 137 119.639 -17.746 -17.746
 1012    HA   THR 137           HA       THR 137 120.956 -17.010 -17.010
 1013    HB   THR 137           HB       THR 137 120.067 -19.226 -19.226
 1014    HG1  THR 137           HG1      THR 137 118.651 -19.928 -19.928
 1015   1HG2  THR 137          1HG2      THR 137 118.138 -17.563 -17.563
 1016   2HG2  THR 137          3HG2      THR 137 117.675 -18.736 -18.736
 1017   3HG2  THR 137          2HG2      THR 137 118.565 -17.282 -17.282
 1018    H    ARG 138           H        ARG 138 123.203 -17.017 -17.017
 1019    HA   ARG 138           HA       ARG 138 124.447 -19.606 -19.606
 1020   1HB   ARG 138          2HB       ARG 138 126.056 -18.374 -18.374
 1021   2HB   ARG 138          1HB       ARG 138 124.436 -17.880 -17.880
 1022   1HG   ARG 138          2HG       ARG 138 124.948 -16.090 -16.090
 1023   2HG   ARG 138          1HG       ARG 138 126.559 -16.313 -16.313
 1024   1HD   ARG 138          2HD       ARG 138 125.982 -14.918 -14.918
 1025   2HD   ARG 138          1HD       ARG 138 124.759 -16.098 -16.098
 1026    HE   ARG 138           HE       ARG 138 123.195 -15.001 -15.001
 1027   1HH1  ARG 138          1HH2      ARG 138 125.697 -13.457 -13.457
 1028   2HH1  ARG 138          2HH2      ARG 138 125.295 -11.855 -11.855
 1029   1HH2  ARG 138          2HH1      ARG 138 122.832 -12.907 -12.907
 1030   2HH2  ARG 138          1HH1      ARG 138 123.670 -11.542 -11.542
 1031    H    GLY 139           H        GLY 139 125.966 -20.274 -20.274
 1032   1HA   GLY 139          2HA       GLY 139 127.999 -19.146 -19.146
 1033   2HA   GLY 139          1HA       GLY 139 126.670 -18.439 -18.439
 1034    H    SER 140           H        SER 140 128.407 -21.394 -21.394
 1035    HA   SER 140           HA       SER 140 128.505 -23.432 -23.432
 1036   1HB   SER 140          2HB       SER 140 128.027 -21.339 -21.339
 1037   2HB   SER 140          1HB       SER 140 126.916 -22.625 -22.625
 1038    HG   SER 140           HG       SER 140 129.681 -22.999 -22.999
 1039    H    ASN 141           H        ASN 141 127.197 -25.296 -25.296
 1040    HA   ASN 141           HA       ASN 141 124.654 -25.273 -25.273
 1041   1HB   ASN 141          2HB       ASN 141 126.332 -27.208 -27.208
 1042   2HB   ASN 141          1HB       ASN 141 124.679 -27.664 -27.664
 1043   1HD2  ASN 141          1HD2      ASN 141 124.170 -27.984 -27.984
 1044   2HD2  ASN 141          2HD2      ASN 141 125.378 -28.055 -28.055
 1045    H    HIS 142           H        HIS 142 125.017 -26.643 -26.643
 1046    HA   HIS 142           HA       HIS 142 123.543 -26.546 -26.546
 1047   1HB   HIS 142          2HB       HIS 142 124.349 -23.942 -23.942
 1048   2HB   HIS 142          1HB       HIS 142 122.678 -23.831 -23.831
 1049    HD1  HIS 142           HD1      HIS 142 125.161 -26.264 -26.264
 1050    HD2  HIS 142           HD2      HIS 142 123.287 -22.687 -22.687
 1051    HE1  HIS 142           HE1      HIS 142 125.683 -25.867 -25.867
 1052    H    ALA 143           H        ALA 143 121.161 -25.574 -25.574
 1053    HA   ALA 143           HA       ALA 143 119.422 -26.175 -26.175
 1054   1HB   ALA 143          3HB       ALA 143 119.766 -27.625 -27.625
 1055   2HB   ALA 143          2HB       ALA 143 118.327 -26.667 -26.667
 1056   3HB   ALA 143          1HB       ALA 143 118.359 -27.728 -27.728
 1057    H    ARG 144           H        ARG 144 118.938 -23.996 -23.996
 1058    HA   ARG 144           HA       ARG 144 118.474 -21.807 -21.807
 1059   1HB   ARG 144          2HB       ARG 144 117.880 -22.677 -22.677
 1060   2HB   ARG 144          1HB       ARG 144 116.568 -21.681 -21.681
 1061   1HG   ARG 144          2HG       ARG 144 119.129 -20.545 -20.545
 1062   2HG   ARG 144          1HG       ARG 144 119.041 -20.784 -20.784
 1063   1HD   ARG 144          2HD       ARG 144 117.616 -19.037 -19.037
 1064   2HD   ARG 144          1HD       ARG 144 116.532 -19.710 -19.710
 1065    HE   ARG 144           HE       ARG 144 119.034 -18.286 -18.286
 1066   1HH1  ARG 144          2HH1      ARG 144 116.064 -17.193 -17.193
 1067   2HH1  ARG 144          1HH1      ARG 144 115.586 -16.773 -16.773
 1068   1HH2  ARG 144          1HH2      ARG 144 118.228 -18.442 -18.442
 1069   2HH2  ARG 144          2HH2      ARG 144 116.813 -17.477 -17.477
 1070    H    ILE 145           H        ILE 145 116.897 -21.314 -21.314
 1071    HA   ILE 145           HA       ILE 145 114.988 -21.620 -21.620
 1072    HB   ILE 145           HB       ILE 145 113.776 -22.515 -22.515
 1073   1HG1  ILE 145          2HG1      ILE 145 115.090 -20.435 -20.435
 1074   2HG1  ILE 145          1HG1      ILE 145 113.359 -20.124 -20.124
 1075   1HG2  ILE 145          2HG2      ILE 145 112.376 -22.711 -22.711
 1076   2HG2  ILE 145          1HG2      ILE 145 112.601 -20.984 -20.984
 1077   3HG2  ILE 145          3HG2      ILE 145 111.733 -21.538 -21.538
 1078   1HD1  ILE 145          2HD1      ILE 145 114.971 -19.721 -19.721
 1079   2HD1  ILE 145          1HD1      ILE 145 114.571 -18.431 -18.431
 1080   3HD1  ILE 145          3HD1      ILE 145 113.287 -19.271 -19.271
 1081    H    ASP 146           H        ASP 146 116.393 -23.575 -23.575
 1082    HA   ASP 146           HA       ASP 146 116.194 -26.209 -26.209
 1083   1HB   ASP 146          2HB       ASP 146 116.352 -24.778 -24.778
 1084   2HB   ASP 146          1HB       ASP 146 116.189 -26.535 -26.535
 1085    H    ALA 147           H        ALA 147 114.901 -28.000 -28.000
 1086    HA   ALA 147           HA       ALA 147 112.214 -28.028 -28.028
 1087   1HB   ALA 147          3HB       ALA 147 113.803 -29.370 -29.370
 1088   2HB   ALA 147          2HB       ALA 147 112.120 -29.793 -29.793
 1089   3HB   ALA 147          1HB       ALA 147 113.336 -30.033 -30.033
 1090    H    ALA 148           H        ALA 148 110.826 -26.377 -26.377
 1091    HA   ALA 148           HA       ALA 148 109.432 -25.075 -25.075
 1092   1HB   ALA 148          2HB       ALA 148 109.564 -27.507 -27.507
 1093   2HB   ALA 148          1HB       ALA 148 110.369 -26.598 -26.598
 1094   3HB   ALA 148          3HB       ALA 148 108.726 -26.175 -26.175
 1095    H    GLU 149           H        GLU 149 109.614 -23.296 -23.296
 1096    HA   GLU 149           HA       GLU 149 112.233 -22.080 -22.080
 1097   1HB   GLU 149          2HB       GLU 149 109.532 -21.357 -21.357
 1098   2HB   GLU 149          1HB       GLU 149 110.214 -21.003 -21.003
 1099   1HG   GLU 149          2HG       GLU 149 110.642 -19.024 -19.024
 1100   2HG   GLU 149          1HG       GLU 149 112.158 -19.904 -19.904
 1101    H    GLY 150           H        GLY 150 113.327 -21.451 -21.451
 1102   1HA   GLY 150          2HA       GLY 150 114.128 -21.843 -21.843
 1103   2HA   GLY 150          1HA       GLY 150 112.607 -22.665 -22.665
 1104    HA   PRO 151           HA       PRO 151 116.137 -25.698 -25.698
 1105   1HB   PRO 151          2HB       PRO 151 117.337 -26.018 -26.018
 1106   2HB   PRO 151          1HB       PRO 151 117.880 -24.823 -24.823
 1107   1HG   PRO 151          2HG       PRO 151 116.283 -24.441 -24.441
 1108   2HG   PRO 151          1HG       PRO 151 117.475 -23.373 -23.373
 1109   1HD   PRO 151          2HD       PRO 151 114.731 -23.065 -23.065
 1110   2HD   PRO 151          1HD       PRO 151 115.910 -22.351 -22.351
 1111    H    SER 152           H        SER 152 114.879 -27.522 -27.522
 1112    HA   SER 152           HA       SER 152 113.570 -28.512 -28.512
 1113   1HB   SER 152          2HB       SER 152 111.954 -27.819 -27.819
 1114   2HB   SER 152          1HB       SER 152 112.814 -28.676 -28.676
 1115    HG   SER 152           HG       SER 152 111.114 -29.620 -29.620
 1116    H    ASP 153           H        ASP 153 116.239 -29.070 -29.070
 1117    HA   ASP 153           HA       ASP 153 116.086 -31.889 -31.889
 1118   1HB   ASP 153          2HB       ASP 153 117.922 -29.673 -29.673
 1119   2HB   ASP 153          1HB       ASP 153 118.765 -31.062 -31.062
 1120    H    ILE 154           H        ILE 154 117.369 -33.573 -33.573
 1121    HA   ILE 154           HA       ILE 154 117.542 -33.063 -33.063
 1122    HB   ILE 154           HB       ILE 154 116.811 -35.673 -35.673
 1123   1HG1  ILE 154          2HG1      ILE 154 114.441 -34.806 -34.806
 1124   2HG1  ILE 154          1HG1      ILE 154 115.161 -33.248 -33.248
 1125   1HG2  ILE 154          2HG2      ILE 154 116.944 -34.620 -34.620
 1126   2HG2  ILE 154          1HG2      ILE 154 115.569 -35.657 -35.657
 1127   3HG2  ILE 154          3HG2      ILE 154 117.212 -36.258 -36.258
 1128   1HD1  ILE 154          3HD1      ILE 154 115.558 -35.289 -35.289
 1129   2HD1  ILE 154          2HD1      ILE 154 113.860 -34.915 -34.915
 1130   3HD1  ILE 154          1HD1      ILE 154 114.981 -33.629 -33.629
 1131    HA   PRO 155           HA       PRO 155 121.629 -34.522 -34.522
 1132   1HB   PRO 155          2HB       PRO 155 123.124 -32.823 -32.823
 1133   2HB   PRO 155          1HB       PRO 155 122.476 -32.375 -32.375
 1134   1HG   PRO 155          2HG       PRO 155 121.492 -31.669 -31.669
 1135   2HG   PRO 155          1HG       PRO 155 121.501 -30.709 -30.709
 1136   1HD   PRO 155          2HD       PRO 155 119.286 -31.982 -31.982
 1137   2HD   PRO 155          1HD       PRO 155 119.502 -31.548 -31.548
 1138    H    ASP 156           HN       ASP 156 122.563 -36.273 -36.273
 1139    HA   ASP 156           HA       ASP 156 122.264 -36.528 -36.528
 1140   1HB   ASP 156          2HB       ASP 156 120.968 -38.109 -38.109
 1141   2HB   ASP 156          1HB       ASP 156 122.475 -38.647 -38.647

  Start of MODEL    8
    1   1H    MET   1          2H        MET   1  98.296  24.670  24.670
    2   2H    MET   1          1H        MET   1  98.532  23.215  23.215
    3   3H    MET   1          3H        MET   1  98.071  24.615  24.615
    4    HA   MET   1           HA       MET   1 100.281  24.725  24.725
    5   1HB   MET   1          2HB       MET   1 100.262  22.548  22.548
    6   2HB   MET   1          1HB       MET   1 101.190  23.669  23.669
    7   1HG   MET   1          2HG       MET   1 102.987  23.583  23.583
    8   2HG   MET   1          1HG       MET   1 101.990  23.705  23.705
    9   1HE   MET   1          2HE       MET   1 104.018  21.667  21.667
   10   2HE   MET   1          1HE       MET   1 104.678  21.844  21.844
   11   3HE   MET   1          3HE       MET   1 104.287  20.238  20.238
   12    H    GLU   2           H        GLU   2  98.540  26.556  26.556
   13    HA   GLU   2           HA       GLU   2  99.938  27.818  27.818
   14   1HB   GLU   2          2HB       GLU   2  97.646  28.228  28.228
   15   2HB   GLU   2          1HB       GLU   2  98.585  29.712  29.712
   16   1HG   GLU   2          2HG       GLU   2  97.950  28.413  28.413
   17   2HG   GLU   2          1HG       GLU   2  96.998  29.719  29.719
   18    HA   PRO   3           HA       PRO   3 102.119  30.629  30.629
   19   1HB   PRO   3          2HB       PRO   3 101.920  29.990  29.990
   20   2HB   PRO   3          1HB       PRO   3 100.775  31.063  31.063
   21   1HG   PRO   3          2HG       PRO   3 100.481  28.219  28.219
   22   2HG   PRO   3          1HG       PRO   3  99.274  29.510  29.510
   23   1HD   PRO   3          2HD       PRO   3  99.536  27.532  27.532
   24   2HD   PRO   3          1HD       PRO   3  98.759  29.105  29.105
   25    H    ALA   4           H        ALA   4 104.302  30.389  30.389
   26    HA   ALA   4           HA       ALA   4 105.654  27.960  27.960
   27   1HB   ALA   4          2HB       ALA   4 106.240  30.618  30.618
   28   2HB   ALA   4          1HB       ALA   4 107.070  29.536  29.536
   29   3HB   ALA   4          3HB       ALA   4 107.371  29.415  29.415
   30    H    ALA   5           H        ALA   5 106.275  26.224  26.224
   31    HA   ALA   5           HA       ALA   5 106.221  26.209  26.209
   32   1HB   ALA   5          1HB       ALA   5 103.777  25.364  25.364
   33   2HB   ALA   5          3HB       ALA   5 104.139  24.602  24.602
   34   3HB   ALA   5          2HB       ALA   5 103.876  26.343  26.343
   35    H    GLY   6           H        GLY   6 107.494  24.512  24.512
   36   1HA   GLY   6          2HA       GLY   6 107.767  21.982  21.982
   37   2HA   GLY   6          1HA       GLY   6 107.875  22.303  22.303
   38    H    SER   7           H        SER   7 109.654  23.883  23.883
   39    HA   SER   7           HA       SER   7 111.958  24.426  24.426
   40   1HB   SER   7          2HB       SER   7 110.842  25.209  25.209
   41   2HB   SER   7          1HB       SER   7 112.201  24.226  24.226
   42    HG   SER   7           HG       SER   7 113.543  25.507  25.507
   43    H    SER   8           H        SER   8 113.920  23.545  23.545
   44    HA   SER   8           HA       SER   8 113.740  20.597  20.597
   45   1HB   SER   8          2HB       SER   8 114.489  20.969  20.969
   46   2HB   SER   8          1HB       SER   8 115.642  22.195  22.195
   47    HG   SER   8           HG       SER   8 116.145  19.696  19.696
   48    H    MET   9           H        MET   9 115.093  19.732  19.732
   49    HA   MET   9           HA       MET   9 117.323  21.262  21.262
   50   1HB   MET   9          2HB       MET   9 115.205  22.268  22.268
   51   2HB   MET   9          1HB       MET   9 114.830  20.698  20.698
   52   1HG   MET   9          2HG       MET   9 116.180  21.128  21.128
   53   2HG   MET   9          1HG       MET   9 117.539  21.407  21.407
   54   1HE   MET   9          3HE       MET   9 114.218  22.674  22.674
   55   2HE   MET   9          2HE       MET   9 115.008  23.239  23.239
   56   3HE   MET   9          1HE       MET   9 114.375  24.407  24.407
   57    H    GLU  10           H        GLU  10 114.978  18.688  18.688
   58    HA   GLU  10           HA       GLU  10 115.347  16.484  16.484
   59   1HB   GLU  10          2HB       GLU  10 116.242  16.487  16.487
   60   2HB   GLU  10          1HB       GLU  10 117.838  16.854  16.854
   61   1HG   GLU  10          2HG       GLU  10 118.080  14.590  14.590
   62   2HG   GLU  10          1HG       GLU  10 117.141  14.713  14.713
   63    HA   PRO  11           HA       PRO  11 118.362  17.973  17.973
   64   1HB   PRO  11          2HB       PRO  11 116.806  17.304  17.304
   65   2HB   PRO  11          1HB       PRO  11 116.678  18.862  18.862
   66   1HG   PRO  11          2HG       PRO  11 114.952  16.450  16.450
   67   2HG   PRO  11          1HG       PRO  11 114.511  18.162  18.162
   68   1HD   PRO  11          2HD       PRO  11 114.680  16.626  16.626
   69   2HD   PRO  11          1HD       PRO  11 114.934  18.386  18.386
   70    H    SER  12           H        SER  12 119.296  15.891  15.891
   71    HA   SER  12           HA       SER  12 120.309  13.790  13.790
   72   1HB   SER  12          2HB       SER  12 119.261  14.049  14.049
   73   2HB   SER  12          1HB       SER  12 120.701  13.192  13.192
   74    HG   SER  12           HG       SER  12 121.039  15.610  15.610
   75    H    ALA  13           H        ALA  13 117.133  14.225  14.225
   76    HA   ALA  13           HA       ALA  13 115.303  12.762  12.762
   77   1HB   ALA  13          3HB       ALA  13 117.764  11.350  11.350
   78   2HB   ALA  13          2HB       ALA  13 116.586  10.237  10.237
   79   3HB   ALA  13          1HB       ALA  13 116.181  11.162  11.162
   80    H    ASP  14           H        ASP  14 116.079  13.563  13.563
   81    HA   ASP  14           HA       ASP  14 115.808  11.184  11.184
   82   1HB   ASP  14          2HB       ASP  14 117.122  13.470  13.470
   83   2HB   ASP  14          1HB       ASP  14 115.569  14.020  14.020
   84    H    TRP  15           H        TRP  15 113.552  12.286  12.286
   85    HA   TRP  15           HA       TRP  15 111.431  13.165  13.165
   86   1HB   TRP  15          2HB       TRP  15 111.643  12.156  12.156
   87   2HB   TRP  15          1HB       TRP  15 110.087  12.571  12.571
   88    HD1  TRP  15           HD1      TRP  15 112.366  14.868  14.868
   89    HE1  TRP  15           HE1      TRP  15 112.431  17.150  17.150
   90    HE3  TRP  15           HE3      TRP  15 110.127  13.613  13.613
   91    HZ2  TRP  15           HZ2      TRP  15 111.639  18.293  18.293
   92    HZ3  TRP  15           HZ3      TRP  15 109.796  15.316  15.316
   93    HH2  TRP  15           HH2      TRP  15 110.550  17.651  17.651
   94    H    LEU  16           H        LEU  16 112.682  10.062  10.062
   95    HA   LEU  16           HA       LEU  16 110.361   8.442   8.442
   96   1HB   LEU  16          2HB       LEU  16 112.040   6.614   6.614
   97   2HB   LEU  16          1HB       LEU  16 112.242   7.734   7.734
   98    HG   LEU  16           HG       LEU  16 113.847   8.883   8.883
   99   1HD1  LEU  16          2HD1      LEU  16 113.407   6.836   6.836
  100   2HD1  LEU  16          1HD1      LEU  16 114.271   5.892   5.892
  101   3HD1  LEU  16          3HD1      LEU  16 115.109   7.167   7.167
  102   1HD2  LEU  16          2HD2      LEU  16 114.394   8.429   8.429
  103   2HD2  LEU  16          1HD2      LEU  16 115.709   7.940   7.940
  104   3HD2  LEU  16          3HD2      LEU  16 114.625   6.726   6.726
  105    H    ALA  17           H        ALA  17 113.078   9.578   9.578
  106    HA   ALA  17           HA       ALA  17 112.333   7.985   7.985
  107   1HB   ALA  17          1HB       ALA  17 114.632   8.927   8.927
  108   2HB   ALA  17          3HB       ALA  17 114.052  10.476  10.476
  109   3HB   ALA  17          2HB       ALA  17 114.198   9.094   9.094
  110    H    THR  18           H        THR  18 112.170  11.465  11.465
  111    HA   THR  18           HA       THR  18 110.834  12.467  12.467
  112    HB   THR  18           HB       THR  18 109.729  13.808  13.808
  113    HG1  THR  18           HG1      THR  18 112.311  13.357  13.357
  114   1HG2  THR  18          2HG2      THR  18 112.035  14.110  14.110
  115   2HG2  THR  18          1HG2      THR  18 112.174  15.014  15.014
  116   3HG2  THR  18          3HG2      THR  18 110.792  15.280  15.280
  117    H    ALA  19           H        ALA  19 109.347  11.200  11.200
  118    HA   ALA  19           HA       ALA  19 106.632  11.378  11.378
  119   1HB   ALA  19          2HB       ALA  19 108.214   9.620   9.620
  120   2HB   ALA  19          1HB       ALA  19 106.468   9.422   9.422
  121   3HB   ALA  19          3HB       ALA  19 107.136  10.955  10.955
  122    H    ALA  20           H        ALA  20 109.037   8.806   8.806
  123    HA   ALA  20           HA       ALA  20 107.280   6.822   6.822
  124   1HB   ALA  20          3HB       ALA  20 109.775   6.769   6.769
  125   2HB   ALA  20          2HB       ALA  20 110.123   7.307   7.307
  126   3HB   ALA  20          1HB       ALA  20 109.304   5.766   5.766
  127    H    ALA  21           H        ALA  21 109.493   8.983   8.983
  128    HA   ALA  21           HA       ALA  21 108.688   8.515   8.515
  129   1HB   ALA  21          2HB       ALA  21 110.376  10.182  10.182
  130   2HB   ALA  21          1HB       ALA  21 109.094  11.340  11.340
  131   3HB   ALA  21          3HB       ALA  21 109.864  10.463  10.463
  132    H    ARG  22           H        ARG  22 106.946  10.340  10.340
  133    HA   ARG  22           HA       ARG  22 104.974  11.345  11.345
  134   1HB   ARG  22          2HB       ARG  22 105.650  11.740  11.740
  135   2HB   ARG  22          1HB       ARG  22 104.038  12.190  12.190
  136   1HG   ARG  22          2HG       ARG  22 105.559  13.274  13.274
  137   2HG   ARG  22          1HG       ARG  22 106.658  13.434  13.434
  138   1HD   ARG  22          2HD       ARG  22 103.756  14.312  14.312
  139   2HD   ARG  22          1HD       ARG  22 105.086  15.403  15.403
  140    HE   ARG  22           HE       ARG  22 104.798  14.030  14.030
  141   1HH1  ARG  22          2HH1      ARG  22 107.655  14.441  14.441
  142   2HH1  ARG  22          1HH1      ARG  22 107.985  16.015  16.015
  143   1HH2  ARG  22          1HH2      ARG  22 104.641  16.870  16.870
  144   2HH2  ARG  22          2HH2      ARG  22 106.276  17.395  17.395
  145    H    GLY  23           H        GLY  23 105.162   8.398   8.398
  146   1HA   GLY  23          2HA       GLY  23 103.784   6.577   6.577
  147   2HA   GLY  23          1HA       GLY  23 102.527   7.608   7.608
  148    H    ARG  24           H        ARG  24 104.381   8.311   8.311
  149    HA   ARG  24           HA       ARG  24 101.806   8.237   8.237
  150   1HB   ARG  24          2HB       ARG  24 104.088  10.041  10.041
  151   2HB   ARG  24          1HB       ARG  24 103.794   9.578   9.578
  152   1HG   ARG  24          2HG       ARG  24 102.455  11.537  11.537
  153   2HG   ARG  24          1HG       ARG  24 101.359  10.156  10.156
  154   1HD   ARG  24          2HD       ARG  24 101.387   9.962   9.962
  155   2HD   ARG  24          1HD       ARG  24 102.446  11.380  11.380
  156    HE   ARG  24           HE       ARG  24 100.496  12.481  12.481
  157   1HH1  ARG  24          2HH1      ARG  24 100.549  11.029  11.029
  158   2HH1  ARG  24          1HH1      ARG  24  98.840  11.120  11.120
  159   1HH2  ARG  24          1HH2      ARG  24  98.140  12.219  12.219
  160   2HH2  ARG  24          2HH2      ARG  24  97.475  11.792  11.792
  161    H    VAL  25           H        VAL  25 101.849   6.022   6.022
  162    HA   VAL  25           HA       VAL  25 104.222   4.750   4.750
  163    HB   VAL  25           HB       VAL  25 101.259   4.090   4.090
  164   1HG1  VAL  25          1HG1      VAL  25 103.705   2.524   2.524
  165   2HG1  VAL  25          3HG1      VAL  25 102.197   1.729   1.729
  166   3HG1  VAL  25          2HG1      VAL  25 102.234   2.829   2.829
  167   1HG2  VAL  25          1HG2      VAL  25 103.472   3.686   3.686
  168   2HG2  VAL  25          3HG2      VAL  25 101.741   3.835   3.835
  169   3HG2  VAL  25          2HG2      VAL  25 102.413   2.300   2.300
  170    H    GLU  26           H        GLU  26 101.115   5.595   5.595
  171    HA   GLU  26           HA       GLU  26 101.619   5.109   5.109
  172   1HB   GLU  26          2HB       GLU  26 100.214   7.378   7.378
  173   2HB   GLU  26          1HB       GLU  26 100.128   7.182   7.182
  174   1HG   GLU  26          2HG       GLU  26  99.165   4.964   4.964
  175   2HG   GLU  26          1HG       GLU  26  99.376   5.024   5.024
  176    H    GLU  27           H        GLU  27 102.941   7.792   7.792
  177    HA   GLU  27           HA       GLU  27 103.904   9.364   9.364
  178   1HB   GLU  27          2HB       GLU  27 104.282   9.147   9.147
  179   2HB   GLU  27          1HB       GLU  27 105.547   9.991   9.991
  180   1HG   GLU  27          2HG       GLU  27 103.226  11.000  11.000
  181   2HG   GLU  27          1HG       GLU  27 102.795  10.832  10.832
  182    H    VAL  28           H        VAL  28 105.604   7.101   7.101
  183    HA   VAL  28           HA       VAL  28 108.099   7.187   7.187
  184    HB   VAL  28           HB       VAL  28 107.058   4.950   4.950
  185   1HG1  VAL  28          1HG1      VAL  28 109.795   6.136   6.136
  186   2HG1  VAL  28          3HG1      VAL  28 109.468   4.907   4.907
  187   3HG1  VAL  28          2HG1      VAL  28 109.226   4.542   4.542
  188   1HG2  VAL  28          2HG2      VAL  28 107.917   7.754   7.754
  189   2HG2  VAL  28          1HG2      VAL  28 106.557   6.827   6.827
  190   3HG2  VAL  28          3HG2      VAL  28 108.197   6.432   6.432
  191    H    ARG  29           H        ARG  29 105.340   4.908   4.908
  192    HA   ARG  29           HA       ARG  29 106.334   2.860   2.860
  193   1HB   ARG  29          2HB       ARG  29 103.793   4.036   4.036
  194   2HB   ARG  29          1HB       ARG  29 103.735   3.519   3.519
  195   1HG   ARG  29          2HG       ARG  29 103.332   1.446   1.446
  196   2HG   ARG  29          1HG       ARG  29 105.038   1.412   1.412
  197   1HD   ARG  29          2HD       ARG  29 104.472   1.351   1.351
  198   2HD   ARG  29          1HD       ARG  29 103.581   2.872   2.872
  199    HE   ARG  29           HE       ARG  29 101.576   1.622   1.622
  200   1HH1  ARG  29          1HH2      ARG  29 103.963  -0.235  -0.235
  201   2HH1  ARG  29          2HH2      ARG  29 103.292  -1.768  -1.768
  202   1HH2  ARG  29          2HH1      ARG  29 100.865  -0.416  -0.416
  203   2HH2  ARG  29          1HH1      ARG  29 101.522  -1.870  -1.870
  204    H    ALA  30           H        ALA  30 104.860   5.924   5.924
  205    HA   ALA  30           HA       ALA  30 105.360   5.498   5.498
  206   1HB   ALA  30          1HB       ALA  30 103.865   7.179   7.179
  207   2HB   ALA  30          3HB       ALA  30 105.258   8.234   8.234
  208   3HB   ALA  30          2HB       ALA  30 104.381   7.594   7.594
  209    H    LEU  31           H        LEU  31 107.085   7.453   7.453
  210    HA   LEU  31           HA       LEU  31 109.182   8.413   8.413
  211   1HB   LEU  31          2HB       LEU  31 108.879   7.800   7.800
  212   2HB   LEU  31          1HB       LEU  31 110.397   8.433   8.433
  213    HG   LEU  31           HG       LEU  31 107.944   9.836   9.836
  214   1HD1  LEU  31          2HD1      LEU  31 108.511   9.353   9.353
  215   2HD1  LEU  31          1HD1      LEU  31 108.594  11.072  11.072
  216   3HD1  LEU  31          3HD1      LEU  31 107.127  10.164  10.164
  217   1HD2  LEU  31          1HD2      LEU  31 110.645  10.724  10.724
  218   2HD2  LEU  31          3HD2      LEU  31 110.222  10.551  10.551
  219   3HD2  LEU  31          2HD2      LEU  31 109.433  11.786  11.786
  220    H    LEU  32           H        LEU  32 109.376   5.683   5.683
  221    HA   LEU  32           HA       LEU  32 111.860   4.630   4.630
  222   1HB   LEU  32          2HB       LEU  32 109.210   3.559   3.559
  223   2HB   LEU  32          1HB       LEU  32 110.434   2.379   2.379
  224    HG   LEU  32           HG       LEU  32 110.840   4.563   4.563
  225   1HD1  LEU  32          2HD1      LEU  32 109.275   2.707   2.707
  226   2HD1  LEU  32          1HD1      LEU  32 110.595   1.569   1.569
  227   3HD1  LEU  32          3HD1      LEU  32 110.720   2.806   2.806
  228   1HD2  LEU  32          1HD2      LEU  32 112.711   3.176   3.176
  229   2HD2  LEU  32          3HD2      LEU  32 113.035   4.016   4.016
  230   3HD2  LEU  32          2HD2      LEU  32 112.672   2.290   2.290
  231    H    GLU  33           H        GLU  33 108.806   3.873   3.873
  232    HA   GLU  33           HA       GLU  33 110.062   2.261   2.261
  233   1HB   GLU  33          2HB       GLU  33 107.417   3.414   3.414
  234   2HB   GLU  33          1HB       GLU  33 107.661   3.037   3.037
  235   1HG   GLU  33          2HG       GLU  33 108.626   0.770   0.770
  236   2HG   GLU  33          1HG       GLU  33 107.618   1.195   1.195
  237    H    ALA  34           H        ALA  34 109.804   5.654   5.654
  238    HA   ALA  34           HA       ALA  34 110.025   6.329   6.329
  239   1HB   ALA  34          1HB       ALA  34 109.340   7.637   7.637
  240   2HB   ALA  34          3HB       ALA  34 110.191   8.664   8.664
  241   3HB   ALA  34          2HB       ALA  34 108.671   7.900   7.900
  242    H    GLY  35           H        GLY  35 112.167   5.469   5.469
  243   1HA   GLY  35          2HA       GLY  35 114.558   5.408   5.408
  244   2HA   GLY  35          1HA       GLY  35 114.334   7.068   7.068
  245    H    ALA  36           H        ALA  36 113.060   5.804   5.804
  246    HA   ALA  36           HA       ALA  36 114.457   7.925   7.925
  247   1HB   ALA  36          2HB       ALA  36 112.117   6.524   6.524
  248   2HB   ALA  36          1HB       ALA  36 113.148   5.707   5.707
  249   3HB   ALA  36          3HB       ALA  36 112.872   7.443   7.443
  250    H    LEU  37           H        LEU  37 116.297   7.622   7.622
  251    HA   LEU  37           HA       LEU  37 117.903   5.250   5.250
  252   1HB   LEU  37          2HB       LEU  37 118.340   7.893   7.893
  253   2HB   LEU  37          1HB       LEU  37 118.727   7.107   7.107
  254    HG   LEU  37           HG       LEU  37 120.180   5.496   5.496
  255   1HD1  LEU  37          2HD1      LEU  37 118.959   6.887   6.887
  256   2HD1  LEU  37          1HD1      LEU  37 120.702   7.150   7.150
  257   3HD1  LEU  37          3HD1      LEU  37 120.059   5.508   5.508
  258   1HD2  LEU  37          1HD2      LEU  37 121.027   7.536   7.536
  259   2HD2  LEU  37          3HD2      LEU  37 122.040   7.041   7.041
  260   3HD2  LEU  37          2HD2      LEU  37 120.944   8.414   8.414
  261    HA   PRO  38           HA       PRO  38 116.303   3.104   3.104
  262   1HB   PRO  38          2HB       PRO  38 117.874   0.880   0.880
  263   2HB   PRO  38          1HB       PRO  38 116.405   1.152   1.152
  264   1HG   PRO  38          2HG       PRO  38 119.253   1.547   1.547
  265   2HG   PRO  38          1HG       PRO  38 117.902   0.939   0.939
  266   1HD   PRO  38          2HD       PRO  38 118.866   3.478   3.478
  267   2HD   PRO  38          1HD       PRO  38 117.177   3.039   3.039
  268    H    ASN  39           H        ASN  39 119.613   3.992   3.992
  269    HA   ASN  39           HA       ASN  39 120.249   3.833   3.833
  270   1HB   ASN  39          2HB       ASN  39 121.586   2.762   2.762
  271   2HB   ASN  39          1HB       ASN  39 122.669   3.735   3.735
  272   1HD2  ASN  39          1HD2      ASN  39 119.899   1.721   1.721
  273   2HD2  ASN  39          2HD2      ASN  39 120.821   0.680   0.680
  274    H    ALA  40           H        ALA  40 119.094   6.137   6.137
  275    HA   ALA  40           HA       ALA  40 121.143   8.059   8.059
  276   1HB   ALA  40          2HB       ALA  40 118.205   8.002   8.002
  277   2HB   ALA  40          1HB       ALA  40 119.019   9.565   9.565
  278   3HB   ALA  40          3HB       ALA  40 119.046   8.572   8.572
  279    HA   PRO  41           HA       PRO  41 122.189   9.346   9.346
  280   1HB   PRO  41          2HB       PRO  41 123.096  11.871  11.871
  281   2HB   PRO  41          1HB       PRO  41 124.008  10.414  10.414
  282   1HG   PRO  41          2HG       PRO  41 122.441  12.235  12.235
  283   2HG   PRO  41          1HG       PRO  41 123.869  11.264  11.264
  284   1HD   PRO  41          2HD       PRO  41 121.238  10.637  10.637
  285   2HD   PRO  41          1HD       PRO  41 122.615   9.518   9.518
  286    H    ASN  42           H        ASN  42 120.922  10.154  10.154
  287    HA   ASN  42           HA       ASN  42 118.606  11.887  11.887
  288   1HB   ASN  42          2HB       ASN  42 118.808   9.600   9.600
  289   2HB   ASN  42          1HB       ASN  42 119.090  10.728  10.728
  290   1HD2  ASN  42          1HD2      ASN  42 116.988  10.235  10.235
  291   2HD2  ASN  42          2HD2      ASN  42 115.547  10.787  10.787
  292    H    SER  43           H        SER  43 118.056  13.224  13.224
  293    HA   SER  43           HA       SER  43 120.463  14.955  14.955
  294   1HB   SER  43          2HB       SER  43 117.492  15.459  15.459
  295   2HB   SER  43          1HB       SER  43 118.566  16.631  16.631
  296    HG   SER  43           HG       SER  43 119.628  15.814  15.814
  297    H    TYR  44           H        TYR  44 118.725  12.570  12.570
  298    HA   TYR  44           HA       TYR  44 119.015  13.817  13.817
  299   1HB   TYR  44          2HB       TYR  44 117.187  11.585  11.585
  300   2HB   TYR  44          1HB       TYR  44 117.165  12.337  12.337
  301    HD1  TYR  44           HD1      TYR  44 116.651  14.838  14.838
  302    HD2  TYR  44           HD2      TYR  44 116.004  12.534  12.534
  303    HE1  TYR  44           HE1      TYR  44 115.118  16.590  16.590
  304    HE2  TYR  44           HE2      TYR  44 114.471  14.286  14.286
  305    HH   TYR  44           HH       TYR  44 113.472  16.234  16.234
  306    H    GLY  45           H        GLY  45 120.882  12.123  12.123
  307   1HA   GLY  45          2HA       GLY  45 122.443  10.414  10.414
  308   2HA   GLY  45          1HA       GLY  45 122.269  10.703  10.703
  309    H    ARG  46           H        ARG  46 119.443   9.811   9.811
  310    HA   ARG  46           HA       ARG  46 119.502   7.128   7.128
  311   1HB   ARG  46          2HB       ARG  46 117.421   9.164   9.164
  312   2HB   ARG  46          1HB       ARG  46 116.932   7.470   7.470
  313   1HG   ARG  46          2HG       ARG  46 116.713   7.633   7.633
  314   2HG   ARG  46          1HG       ARG  46 118.468   7.778   7.778
  315   1HD   ARG  46          2HD       ARG  46 118.148   9.860   9.860
  316   2HD   ARG  46          1HD       ARG  46 117.547  10.338  10.338
  317    HE   ARG  46           HE       ARG  46 115.292   9.951   9.951
  318   1HH1  ARG  46          2HH1      ARG  46 117.308   8.248   8.248
  319   2HH1  ARG  46          1HH1      ARG  46 116.390   8.601   8.601
  320   1HH2  ARG  46          1HH2      ARG  46 114.265  10.830  10.830
  321   2HH2  ARG  46          2HH2      ARG  46 114.660  10.054  10.054
  322    H    ARG  47           H        ARG  47 117.665   5.772   5.772
  323    HA   ARG  47           HA       ARG  47 118.950   5.618   5.618
  324   1HB   ARG  47          2HB       ARG  47 117.301   3.602   3.602
  325   2HB   ARG  47          1HB       ARG  47 118.162   3.279   3.279
  326   1HG   ARG  47          2HG       ARG  47 119.353   3.975   3.975
  327   2HG   ARG  47          1HG       ARG  47 119.574   2.490   2.490
  328   1HD   ARG  47          2HD       ARG  47 120.631   3.927   3.927
  329   2HD   ARG  47          1HD       ARG  47 120.643   5.250   5.250
  330    HE   ARG  47           HE       ARG  47 121.756   2.712   2.712
  331   1HH1  ARG  47          1HH2      ARG  47 123.304   3.928   3.928
  332   2HH1  ARG  47          2HH2      ARG  47 124.517   4.835   4.835
  333   1HH2  ARG  47          2HH1      ARG  47 122.856   4.721   4.721
  334   2HH2  ARG  47          1HH1      ARG  47 124.274   5.262   5.262
  335    HA   PRO  48           HA       PRO  48 115.262   6.735   6.735
  336   1HB   PRO  48          2HB       PRO  48 114.963   4.761   4.761
  337   2HB   PRO  48          1HB       PRO  48 116.172   6.058   6.058
  338   1HG   PRO  48          2HG       PRO  48 116.508   3.260   3.260
  339   2HG   PRO  48          1HG       PRO  48 117.538   4.185   4.185
  340   1HD   PRO  48          2HD       PRO  48 118.201   3.927   3.927
  341   2HD   PRO  48          1HD       PRO  48 118.458   5.466   5.466
  342    H    ILE  49           H        ILE  49 115.520   3.747   3.747
  343    HA   ILE  49           HA       ILE  49 112.553   3.349   3.349
  344    HB   ILE  49           HB       ILE  49 114.936   1.564   1.564
  345   1HG1  ILE  49          2HG1      ILE  49 112.628   1.673   1.673
  346   2HG1  ILE  49          1HG1      ILE  49 114.350   1.581   1.581
  347   1HG2  ILE  49          1HG2      ILE  49 112.023   0.958   0.958
  348   2HG2  ILE  49          3HG2      ILE  49 113.338  -0.219  -0.219
  349   3HG2  ILE  49          2HG2      ILE  49 113.329   1.124   1.124
  350   1HD1  ILE  49          2HD1      ILE  49 114.350  -0.730  -0.730
  351   2HD1  ILE  49          1HD1      ILE  49 112.593  -0.621  -0.621
  352   3HD1  ILE  49          3HD1      ILE  49 113.390  -0.598  -0.598
  353    H    GLN  50           H        GLN  50 115.378   3.693   3.693
  354    HA   GLN  50           HA       GLN  50 114.121   3.235   3.235
  355   1HB   GLN  50          2HB       GLN  50 116.618   3.715   3.715
  356   2HB   GLN  50          1HB       GLN  50 116.221   5.344   5.344
  357   1HG   GLN  50          2HG       GLN  50 115.794   4.609   4.609
  358   2HG   GLN  50          1HG       GLN  50 115.684   2.920   2.920
  359   1HE2  GLN  50          1HE2      GLN  50 118.237   5.196   5.196
  360   2HE2  GLN  50          2HE2      GLN  50 119.506   4.368   4.368
  361    H    VAL  51           H        VAL  51 113.709   5.808   5.808
  362    HA   VAL  51           HA       VAL  51 112.321   7.451   7.451
  363    HB   VAL  51           HB       VAL  51 114.291   8.548   8.548
  364   1HG1  VAL  51          2HG1      VAL  51 113.422   7.178   7.178
  365   2HG1  VAL  51          1HG1      VAL  51 113.403   8.905   8.905
  366   3HG1  VAL  51          3HG1      VAL  51 114.882   8.141   8.141
  367   1HG2  VAL  51          2HG2      VAL  51 111.834   9.669   9.669
  368   2HG2  VAL  51          1HG2      VAL  51 113.251  10.567  10.567
  369   3HG2  VAL  51          3HG2      VAL  51 112.122   9.902   9.902
  370    H    MET  52           H        MET  52 111.079   5.200   5.200
  371    HA   MET  52           HA       MET  52 109.361   6.575   6.575
  372   1HB   MET  52          2HB       MET  52 108.727   4.302   4.302
  373   2HB   MET  52          1HB       MET  52 110.481   4.398   4.398
  374   1HG   MET  52          2HG       MET  52 110.481   2.742   2.742
  375   2HG   MET  52          1HG       MET  52 109.500   3.721   3.721
  376   1HE   MET  52          2HE       MET  52 109.903   0.547   0.547
  377   2HE   MET  52          1HE       MET  52 109.146   0.752   0.752
  378   3HE   MET  52          3HE       MET  52 108.323  -0.167  -0.167
  379    H    MET  53           H        MET  53 109.185   7.011   7.011
  380    HA   MET  53           HA       MET  53 107.390   7.434   7.434
  381   1HB   MET  53          2HB       MET  53 106.186   7.404   7.404
  382   2HB   MET  53          1HB       MET  53 105.546   5.869   5.869
  383   1HG   MET  53          2HG       MET  53 105.437   8.218   8.218
  384   2HG   MET  53          1HG       MET  53 104.292   8.166   8.166
  385   1HE   MET  53          3HE       MET  53 102.821   6.413   6.413
  386   2HE   MET  53          2HE       MET  53 103.703   4.909   4.909
  387   3HE   MET  53          1HE       MET  53 102.156   5.161   5.161
  388    H    MET  54           H        MET  54 108.457   4.372   4.372
  389    HA   MET  54           HA       MET  54 108.303   2.198   2.198
  390   1HB   MET  54          2HB       MET  54 108.581   4.262   4.262
  391   2HB   MET  54          1HB       MET  54 108.125   2.657   2.657
  392   1HG   MET  54          2HG       MET  54 110.614   3.026   3.026
  393   2HG   MET  54          1HG       MET  54 110.049   1.656   1.656
  394   1HE   MET  54          3HE       MET  54 110.827   1.095   1.095
  395   2HE   MET  54          2HE       MET  54 110.606   1.910   1.910
  396   3HE   MET  54          1HE       MET  54 112.196   1.878   1.878
  397    H    GLY  55           H        GLY  55 105.718   3.691   3.691
  398   1HA   GLY  55          2HA       GLY  55 103.907   1.994   1.994
  399   2HA   GLY  55          1HA       GLY  55 103.497   3.666   3.666
  400    H    SER  56           H        SER  56 105.200   1.988   1.988
  401    HA   SER  56           HA       SER  56 102.710   1.177   1.177
  402   1HB   SER  56          2HB       SER  56 103.540   3.690   3.690
  403   2HB   SER  56          1HB       SER  56 104.664   2.952   2.952
  404    HG   SER  56           HG       SER  56 102.649   3.595   3.595
  405    H    ALA  57           H        ALA  57 104.258  -0.799  -0.799
  406    HA   ALA  57           HA       ALA  57 106.656  -1.575  -1.575
  407   1HB   ALA  57          2HB       ALA  57 105.124  -2.975  -2.975
  408   2HB   ALA  57          1HB       ALA  57 104.070  -3.172  -3.172
  409   3HB   ALA  57          3HB       ALA  57 105.696  -3.853  -3.853
  410    H    ARG  58           H        ARG  58 103.621  -1.164  -1.164
  411    HA   ARG  58           HA       ARG  58 104.177  -2.368  -2.368
  412   1HB   ARG  58          2HB       ARG  58 102.887   0.306   0.306
  413   2HB   ARG  58          1HB       ARG  58 102.701  -0.547  -0.547
  414   1HG   ARG  58          2HG       ARG  58 102.143  -2.324  -2.324
  415   2HG   ARG  58          1HG       ARG  58 101.141  -0.878  -0.878
  416   1HD   ARG  58          2HD       ARG  58 100.574  -1.246  -1.246
  417   2HD   ARG  58          1HD       ARG  58 101.330  -2.844  -2.844
  418    HE   ARG  58           HE       ARG  58  99.509  -3.514  -3.514
  419   1HH1  ARG  58          2HH1      ARG  58  98.368  -0.978  -0.978
  420   2HH1  ARG  58          1HH1      ARG  58  97.393  -0.310  -0.310
  421   1HH2  ARG  58          1HH2      ARG  58  98.805  -2.265  -2.265
  422   2HH2  ARG  58          2HH2      ARG  58  97.647  -1.030  -1.030
  423    H    VAL  59           H        VAL  59 105.248   0.805   0.805
  424    HA   VAL  59           HA       VAL  59 106.601   1.710   1.710
  425    HB   VAL  59           HB       VAL  59 107.277   2.229   2.229
  426   1HG1  VAL  59          1HG1      VAL  59 108.186   3.298   3.298
  427   2HG1  VAL  59          3HG1      VAL  59 107.693   4.542   4.542
  428   3HG1  VAL  59          2HG1      VAL  59 108.954   3.390   3.390
  429   1HG2  VAL  59          1HG2      VAL  59 104.854   2.627   2.627
  430   2HG2  VAL  59          3HG2      VAL  59 105.716   4.086   4.086
  431   3HG2  VAL  59          2HG2      VAL  59 105.398   3.773   3.773
  432    H    ALA  60           H        ALA  60 108.083   0.344   0.344
  433    HA   ALA  60           HA       ALA  60 110.690  -0.044  -0.044
  434   1HB   ALA  60          3HB       ALA  60 109.351  -0.892  -0.892
  435   2HB   ALA  60          2HB       ALA  60 108.982  -2.317  -2.317
  436   3HB   ALA  60          1HB       ALA  60 110.655  -1.941  -1.941
  437    H    GLU  61           H        GLU  61 108.117  -2.356  -2.356
  438    HA   GLU  61           HA       GLU  61 109.626  -4.108  -4.108
  439   1HB   GLU  61          2HB       GLU  61 106.909  -3.446  -3.446
  440   2HB   GLU  61          1HB       GLU  61 107.099  -3.478  -3.478
  441   1HG   GLU  61          2HG       GLU  61 108.493  -5.707  -5.707
  442   2HG   GLU  61          1HG       GLU  61 107.324  -5.690  -5.690
  443    H    LEU  62           H        LEU  62 107.885  -1.196  -1.196
  444    HA   LEU  62           HA       LEU  62 108.624  -1.106  -1.106
  445   1HB   LEU  62          2HB       LEU  62 107.685   0.658   0.658
  446   2HB   LEU  62          1HB       LEU  62 109.015   1.488   1.488
  447    HG   LEU  62           HG       LEU  62 106.480   0.399   0.399
  448   1HD1  LEU  62          3HD1      LEU  62 107.214   2.894   2.894
  449   2HD1  LEU  62          2HD1      LEU  62 107.466   3.048   3.048
  450   3HD1  LEU  62          1HD1      LEU  62 105.892   2.577   2.577
  451   1HD2  LEU  62          3HD2      LEU  62 109.086   0.378   0.378
  452   2HD2  LEU  62          2HD2      LEU  62 107.537   0.043   0.043
  453   3HD2  LEU  62          1HD2      LEU  62 108.172   1.688   1.688
  454    H    LEU  63           H        LEU  63 110.505   0.668   0.668
  455    HA   LEU  63           HA       LEU  63 112.815   0.991   0.991
  456   1HB   LEU  63          2HB       LEU  63 112.481   1.055   1.055
  457   2HB   LEU  63          1HB       LEU  63 113.849   1.725   1.725
  458    HG   LEU  63           HG       LEU  63 110.984   2.589   2.589
  459   1HD1  LEU  63          2HD1      LEU  63 112.880   3.281   3.281
  460   2HD1  LEU  63          1HD1      LEU  63 112.358   4.689   4.689
  461   3HD1  LEU  63          3HD1      LEU  63 111.163   3.660   3.660
  462   1HD2  LEU  63          1HD2      LEU  63 112.692   2.911   2.911
  463   2HD2  LEU  63          3HD2      LEU  63 112.006   4.417   4.417
  464   3HD2  LEU  63          2HD2      LEU  63 113.619   3.917   3.917
  465    H    LEU  64           H        LEU  64 112.192  -1.197  -1.197
  466    HA   LEU  64           HA       LEU  64 114.557  -2.584  -2.584
  467   1HB   LEU  64          2HB       LEU  64 112.598  -3.078  -3.078
  468   2HB   LEU  64          1HB       LEU  64 111.720  -3.649  -3.649
  469    HG   LEU  64           HG       LEU  64 114.211  -5.062  -5.062
  470   1HD1  LEU  64          3HD1      LEU  64 113.167  -4.392  -4.392
  471   2HD1  LEU  64          2HD1      LEU  64 112.912  -6.116  -6.116
  472   3HD1  LEU  64          1HD1      LEU  64 114.533  -5.434  -5.434
  473   1HD2  LEU  64          2HD2      LEU  64 111.277  -5.699  -5.699
  474   2HD2  LEU  64          1HD2      LEU  64 112.466  -6.116  -6.116
  475   3HD2  LEU  64          3HD2      LEU  64 112.454  -6.977  -6.977
  476    H    LEU  65           H        LEU  65 111.995  -4.052  -4.052
  477    HA   LEU  65           HA       LEU  65 113.668  -5.781  -5.781
  478   1HB   LEU  65          2HB       LEU  65 111.792  -6.069  -6.069
  479   2HB   LEU  65          1HB       LEU  65 111.088  -5.547  -5.547
  480    HG   LEU  65           HG       LEU  65 111.562  -3.137  -3.137
  481   1HD1  LEU  65          2HD1      LEU  65 111.408  -5.236  -5.236
  482   2HD1  LEU  65          1HD1      LEU  65 110.310  -3.881  -3.881
  483   3HD1  LEU  65          3HD1      LEU  65 112.045  -3.596  -3.596
  484   1HD2  LEU  65          1HD2      LEU  65 109.325  -4.764  -4.764
  485   2HD2  LEU  65          3HD2      LEU  65 109.375  -3.013  -3.013
  486   3HD2  LEU  65          2HD2      LEU  65 108.975  -4.047  -4.047
  487    H    HIS  66           H        HIS  66 113.239  -2.343  -2.343
  488    HA   HIS  66           HA       HIS  66 114.374  -2.115  -2.115
  489   1HB   HIS  66          2HB       HIS  66 113.123  -0.533  -0.533
  490   2HB   HIS  66          1HB       HIS  66 114.503   0.301   0.301
  491    HD1  HIS  66           HD1      HIS  66 113.836   1.725   1.725
  492    HD2  HIS  66           HD2      HIS  66 111.543  -1.746  -1.746
  493    HE1  HIS  66           HE1      HIS  66 112.217   1.814   1.814
  494    H    GLY  67           H        GLY  67 115.541  -2.003  -2.003
  495   1HA   GLY  67          2HA       GLY  67 117.944  -2.768  -2.768
  496   2HA   GLY  67          1HA       GLY  67 118.276  -1.553  -1.553
  497    H    ALA  68           H        ALA  68 116.109  -1.230  -1.230
  498    HA   ALA  68           HA       ALA  68 117.090   1.377   1.377
  499   1HB   ALA  68          2HB       ALA  68 115.153  -0.571  -0.571
  500   2HB   ALA  68          1HB       ALA  68 115.986   0.123   0.123
  501   3HB   ALA  68          3HB       ALA  68 115.156   1.174   1.174
  502    H    GLU  69           H        GLU  69 117.513   1.103   1.103
  503    HA   GLU  69           HA       GLU  69 120.180  -0.256  -0.256
  504   1HB   GLU  69          2HB       GLU  69 119.496   2.437   2.437
  505   2HB   GLU  69          1HB       GLU  69 119.725   1.904   1.904
  506   1HG   GLU  69          2HG       GLU  69 121.955   1.770   1.770
  507   2HG   GLU  69          1HG       GLU  69 121.798   0.844   0.844
  508    HA   PRO  70           HA       PRO  70 117.185  -1.943  -1.943
  509   1HB   PRO  70          2HB       PRO  70 117.240  -4.541  -4.541
  510   2HB   PRO  70          1HB       PRO  70 116.080  -3.349  -3.349
  511   1HG   PRO  70          2HG       PRO  70 118.655  -4.277  -4.277
  512   2HG   PRO  70          1HG       PRO  70 117.082  -4.025  -4.025
  513   1HD   PRO  70          2HD       PRO  70 119.060  -2.217  -2.217
  514   2HD   PRO  70          1HD       PRO  70 117.349  -1.738  -1.738
  515    H    ASN  71           H        ASN  71 120.285  -2.809  -2.809
  516    HA   ASN  71           HA       ASN  71 121.046  -4.305  -4.305
  517   1HB   ASN  71          2HB       ASN  71 121.462  -4.679  -4.679
  518   2HB   ASN  71          1HB       ASN  71 123.004  -4.032  -4.032
  519   1HD2  ASN  71          1HD2      ASN  71 121.223  -6.899  -6.899
  520   2HD2  ASN  71          2HD2      ASN  71 122.091  -7.845  -7.845
  521    H    CYS  72           H        CYS  72 122.324  -1.766  -1.766
  522    HA   CYS  72           HA       CYS  72 124.443  -0.903  -0.903
  523   1HB   CYS  72          2HB       CYS  72 122.963  -0.050  -0.050
  524   2HB   CYS  72          1HB       CYS  72 123.585   1.313   1.313
  525    HG   CYS  72           HG       CYS  72 125.854   0.772   0.772
  526    H    ALA  73           H        ALA  73 124.489   0.379   0.379
  527    HA   ALA  73           HA       ALA  73 121.972   1.797   1.797
  528   1HB   ALA  73          2HB       ALA  73 123.968   0.109   0.109
  529   2HB   ALA  73          1HB       ALA  73 122.968   1.284   1.284
  530   3HB   ALA  73          3HB       ALA  73 122.211  -0.035  -0.035
  531    H    ASP  74           H        ASP  74 122.768   3.448   3.448
  532    HA   ASP  74           HA       ASP  74 124.698   5.214   5.214
  533   1HB   ASP  74          2HB       ASP  74 122.419   5.616   5.616
  534   2HB   ASP  74          1HB       ASP  74 123.637   5.897   5.897
  535    HA   PRO  75           HA       PRO  75 128.113   3.812   3.812
  536   1HB   PRO  75          2HB       PRO  75 129.798   5.924   5.924
  537   2HB   PRO  75          1HB       PRO  75 129.471   4.650   4.650
  538   1HG   PRO  75          2HG       PRO  75 128.365   7.403   7.403
  539   2HG   PRO  75          1HG       PRO  75 128.810   6.450   6.450
  540   1HD   PRO  75          2HD       PRO  75 126.238   6.798   6.798
  541   2HD   PRO  75          1HD       PRO  75 126.791   5.391   5.391
  542    H    ALA  76           H        ALA  76 126.704   7.026   7.026
  543    HA   ALA  76           HA       ALA  76 127.985   8.051   8.051
  544   1HB   ALA  76          1HB       ALA  76 125.312   8.104   8.104
  545   2HB   ALA  76          3HB       ALA  76 125.278   8.406   8.406
  546   3HB   ALA  76          2HB       ALA  76 126.253   9.431   9.431
  547    H    THR  77           H        THR  77 125.118   5.903   5.903
  548    HA   THR  77           HA       THR  77 126.345   4.657   4.657
  549    HB   THR  77           HB       THR  77 124.364   5.031   5.031
  550    HG1  THR  77           HG1      THR  77 122.489   5.820   5.820
  551   1HG2  THR  77          2HG2      THR  77 125.891   7.061   7.061
  552   2HG2  THR  77          1HG2      THR  77 124.475   7.594   7.594
  553   3HG2  THR  77          3HG2      THR  77 124.370   7.359   7.359
  554    H    LEU  78           H        LEU  78 126.241   3.628   3.628
  555    HA   LEU  78           HA       LEU  78 125.406   1.860   1.860
  556   1HB   LEU  78          2HB       LEU  78 126.285   1.120   1.120
  557   2HB   LEU  78          1HB       LEU  78 125.060  -0.025  -0.025
  558    HG   LEU  78           HG       LEU  78 127.646   0.728   0.728
  559   1HD1  LEU  78          3HD1      LEU  78 126.924  -1.368  -1.368
  560   2HD1  LEU  78          2HD1      LEU  78 127.061  -2.089  -2.089
  561   3HD1  LEU  78          1HD1      LEU  78 128.422  -1.203  -1.203
  562   1HD2  LEU  78          1HD2      LEU  78 125.106  -0.382  -0.382
  563   2HD2  LEU  78          3HD2      LEU  78 126.358   0.549   0.549
  564   3HD2  LEU  78          2HD2      LEU  78 126.587  -1.179  -1.179
  565    H    THR  79           H        THR  79 123.265   3.422   3.422
  566    HA   THR  79           HA       THR  79 120.994   2.169   2.169
  567    HB   THR  79           HB       THR  79 121.149   4.275   4.275
  568    HG1  THR  79           HG1      THR  79 121.735   5.587   5.587
  569   1HG2  THR  79          2HG2      THR  79 118.909   3.173   3.173
  570   2HG2  THR  79          1HG2      THR  79 119.015   3.817   3.817
  571   3HG2  THR  79          3HG2      THR  79 118.948   4.918   4.918
  572    H    ARG  80           H        ARG  80 120.504   0.133   0.133
  573    HA   ARG  80           HA       ARG  80 120.671  -0.510  -0.510
  574   1HB   ARG  80          2HB       ARG  80 120.913  -1.932  -1.932
  575   2HB   ARG  80          1HB       ARG  80 119.180  -2.147  -2.147
  576   1HG   ARG  80          2HG       ARG  80 120.478  -3.959  -3.959
  577   2HG   ARG  80          1HG       ARG  80 119.557  -3.021  -3.021
  578   1HD   ARG  80          2HD       ARG  80 121.450  -2.255  -2.255
  579   2HD   ARG  80          1HD       ARG  80 122.267  -1.969  -1.969
  580    HE   ARG  80           HE       ARG  80 121.881  -4.801  -4.801
  581   1HH1  ARG  80          1HH2      ARG  80 123.968  -2.493  -2.493
  582   2HH1  ARG  80          2HH2      ARG  80 125.410  -3.173  -3.173
  583   1HH2  ARG  80          2HH1      ARG  80 123.717  -5.466  -5.466
  584   2HH2  ARG  80          1HH1      ARG  80 125.264  -4.846  -4.846
  585    HA   PRO  81           HA       PRO  81 116.625   0.940   0.940
  586   1HB   PRO  81          2HB       PRO  81 116.127  -0.644  -0.644
  587   2HB   PRO  81          1HB       PRO  81 117.217   0.755   0.755
  588   1HG   PRO  81          2HG       PRO  81 117.870  -2.138  -2.138
  589   2HG   PRO  81          1HG       PRO  81 118.658  -0.915  -0.915
  590   1HD   PRO  81          2HD       PRO  81 119.693  -1.707  -1.707
  591   2HD   PRO  81          1HD       PRO  81 119.846  -0.028  -0.028
  592    H    VAL  82           H        VAL  82 117.412  -2.224  -2.224
  593    HA   VAL  82           HA       VAL  82 114.821  -3.495  -3.495
  594    HB   VAL  82           HB       VAL  82 117.421  -3.872  -3.872
  595   1HG1  VAL  82          3HG1      VAL  82 114.912  -5.539  -5.539
  596   2HG1  VAL  82          2HG1      VAL  82 116.515  -5.995  -5.995
  597   3HG1  VAL  82          1HG1      VAL  82 115.711  -4.576  -4.576
  598   1HG2  VAL  82          3HG2      VAL  82 115.933  -5.144  -5.144
  599   2HG2  VAL  82          2HG2      VAL  82 117.642  -4.727  -4.727
  600   3HG2  VAL  82          1HG2      VAL  82 117.018  -6.151  -6.151
  601    H    HIS  83           H        HIS  83 116.478  -1.523  -1.523
  602    HA   HIS  83           HA       HIS  83 114.710  -1.914  -1.914
  603   1HB   HIS  83          2HB       HIS  83 116.224   0.558   0.558
  604   2HB   HIS  83          1HB       HIS  83 115.557   0.322   0.322
  605    HD2  HIS  83           HD2      HIS  83 117.582  -0.596  -0.596
  606    HE1  HIS  83           HE1      HIS  83 119.701  -2.870  -2.870
  607    HE2  HIS  83           HE2      HIS  83 119.640  -2.085  -2.085
  608    H    ASP  84           H        ASP  84 114.586   0.309   0.309
  609    HA   ASP  84           HA       ASP  84 112.438   1.957   1.957
  610   1HB   ASP  84          2HB       ASP  84 113.582   0.753   0.753
  611   2HB   ASP  84          1HB       ASP  84 112.114   1.708   1.708
  612    H    ALA  85           H        ALA  85 112.114  -1.098  -1.098
  613    HA   ALA  85           HA       ALA  85 109.335  -1.256  -1.256
  614   1HB   ALA  85          3HB       ALA  85 111.191  -2.829  -2.829
  615   2HB   ALA  85          2HB       ALA  85 111.112  -3.592  -3.592
  616   3HB   ALA  85          1HB       ALA  85 109.696  -3.597  -3.597
  617    H    ALA  86           H        ALA  86 111.319  -2.640  -2.640
  618    HA   ALA  86           HA       ALA  86 109.099  -3.288  -3.288
  619   1HB   ALA  86          2HB       ALA  86 111.835  -3.711  -3.711
  620   2HB   ALA  86          1HB       ALA  86 111.668  -2.656  -2.656
  621   3HB   ALA  86          3HB       ALA  86 110.799  -4.185  -4.185
  622    H    ARG  87           H        ARG  87 111.171  -0.425  -0.425
  623    HA   ARG  87           HA       ARG  87 110.676   1.007   1.007
  624   1HB   ARG  87          2HB       ARG  87 111.952   1.501   1.501
  625   2HB   ARG  87          1HB       ARG  87 110.463   2.318   2.318
  626   1HG   ARG  87          2HG       ARG  87 111.812   2.893   2.893
  627   2HG   ARG  87          1HG       ARG  87 112.288   3.731   3.731
  628   1HD   ARG  87          2HD       ARG  87 109.364   3.636   3.636
  629   2HD   ARG  87          1HD       ARG  87 110.277   4.607   4.607
  630    HE   ARG  87           HE       ARG  87 111.290   5.792   5.792
  631   1HH1  ARG  87          2HH1      ARG  87 108.075   5.616   5.616
  632   2HH1  ARG  87          1HH1      ARG  87 107.704   5.685   5.685
  633   1HH2  ARG  87          1HH2      ARG  87 110.979   5.136   5.136
  634   2HH2  ARG  87          2HH2      ARG  87 109.351   5.418   5.418
  635    H    GLU  88           H        GLU  88 108.469   0.717   0.717
  636    HA   GLU  88           HA       GLU  88 106.403   2.261   2.261
  637   1HB   GLU  88          2HB       GLU  88 107.214   2.826   2.826
  638   2HB   GLU  88          1HB       GLU  88 106.363   1.368   1.368
  639   1HG   GLU  88          2HG       GLU  88 104.282   2.267   2.267
  640   2HG   GLU  88          1HG       GLU  88 104.876   3.299   3.299
  641    H    GLY  89           H        GLY  89 107.315  -0.921  -0.921
  642   1HA   GLY  89          2HA       GLY  89 106.175  -2.890  -2.890
  643   2HA   GLY  89          1HA       GLY  89 104.722  -1.925  -1.925
  644    H    PHE  90           H        PHE  90 106.635  -1.944  -1.944
  645    HA   PHE  90           HA       PHE  90 104.212  -2.923  -2.923
  646   1HB   PHE  90          2HB       PHE  90 105.711  -0.694  -0.694
  647   2HB   PHE  90          1HB       PHE  90 106.560  -1.779  -1.779
  648    HD1  PHE  90           HD1      PHE  90 105.017  -3.201  -3.201
  649    HD2  PHE  90           HD2      PHE  90 103.808   0.416   0.416
  650    HE1  PHE  90           HE1      PHE  90 103.222  -2.889  -2.889
  651    HE2  PHE  90           HE2      PHE  90 102.019   0.734   0.734
  652    HZ   PHE  90           HZ       PHE  90 101.727  -0.919  -0.919
  653    H    LEU  91           H        LEU  91 104.752  -5.194  -5.194
  654    HA   LEU  91           HA       LEU  91 107.202  -6.469  -6.469
  655   1HB   LEU  91          2HB       LEU  91 104.555  -7.138  -7.138
  656   2HB   LEU  91          1HB       LEU  91 104.986  -8.176  -8.176
  657    HG   LEU  91           HG       LEU  91 106.627  -7.777  -7.777
  658   1HD1  LEU  91          2HD1      LEU  91 104.863 -10.003 -10.003
  659   2HD1  LEU  91          1HD1      LEU  91 106.138 -10.291 -10.291
  660   3HD1  LEU  91          3HD1      LEU  91 104.820  -9.185  -9.185
  661   1HD2  LEU  91          2HD2      LEU  91 107.427  -8.559  -8.559
  662   2HD2  LEU  91          1HD2      LEU  91 108.379  -8.634  -8.634
  663   3HD2  LEU  91          3HD2      LEU  91 107.413 -10.021 -10.021
  664    H    ASP  92           H        ASP  92 104.397  -6.041  -6.041
  665    HA   ASP  92           HA       ASP  92 105.152  -7.457  -7.457
  666   1HB   ASP  92          2HB       ASP  92 104.163  -4.588  -4.588
  667   2HB   ASP  92          1HB       ASP  92 103.935  -5.742  -5.742
  668    H    THR  93           H        THR  93 106.487  -4.344  -4.344
  669    HA   THR  93           HA       THR  93 108.133  -3.811  -3.811
  670    HB   THR  93           HB       THR  93 108.384  -3.112  -3.112
  671    HG1  THR  93           HG1      THR  93 107.166  -1.935  -1.935
  672   1HG2  THR  93          3HG2      THR  93 110.284  -2.756  -2.756
  673   2HG2  THR  93          2HG2      THR  93 109.515  -1.187  -1.187
  674   3HG2  THR  93          1HG2      THR  93 110.281  -2.000  -2.000
  675    H    LEU  94           H        LEU  94 108.790  -5.548  -5.548
  676    HA   LEU  94           HA       LEU  94 111.530  -6.182  -6.182
  677   1HB   LEU  94          2HB       LEU  94 109.293  -7.472  -7.472
  678   2HB   LEU  94          1HB       LEU  94 110.941  -8.095  -8.095
  679    HG   LEU  94           HG       LEU  94 111.277  -5.367  -5.367
  680   1HD1  LEU  94          3HD1      LEU  94 108.788  -5.238  -5.238
  681   2HD1  LEU  94          2HD1      LEU  94 108.972  -6.327  -6.327
  682   3HD1  LEU  94          1HD1      LEU  94 109.725  -4.732  -4.732
  683   1HD2  LEU  94          2HD2      LEU  94 111.011  -7.575  -7.575
  684   2HD2  LEU  94          1HD2      LEU  94 112.473  -7.204  -7.204
  685   3HD2  LEU  94          3HD2      LEU  94 111.840  -6.038  -6.038
  686    H    VAL  95           H        VAL  95 108.624  -8.225  -8.225
  687    HA   VAL  95           HA       VAL  95 109.582 -10.522 -10.522
  688    HB   VAL  95           HB       VAL  95 107.294  -8.845  -8.845
  689   1HG1  VAL  95          2HG1      VAL  95 108.171 -11.665 -11.665
  690   2HG1  VAL  95          1HG1      VAL  95 106.443 -11.414 -11.414
  691   3HG1  VAL  95          3HG1      VAL  95 107.266 -10.643 -10.643
  692   1HG2  VAL  95          3HG2      VAL  95 107.578 -10.560 -10.560
  693   2HG2  VAL  95          2HG2      VAL  95 106.872  -8.950  -8.950
  694   3HG2  VAL  95          1HG2      VAL  95 106.005 -10.353 -10.353
  695    H    VAL  96           H        VAL  96 109.084  -7.452  -7.452
  696    HA   VAL  96           HA       VAL  96 109.997  -8.365  -8.365
  697    HB   VAL  96           HB       VAL  96 110.274  -5.584  -5.584
  698   1HG1  VAL  96          1HG1      VAL  96 110.428  -6.800  -6.800
  699   2HG1  VAL  96          3HG1      VAL  96 109.331  -5.420  -5.420
  700   3HG1  VAL  96          2HG1      VAL  96 111.014  -5.233  -5.233
  701   1HG2  VAL  96          2HG2      VAL  96 107.894  -7.165  -7.165
  702   2HG2  VAL  96          1HG2      VAL  96 108.037  -5.471  -5.471
  703   3HG2  VAL  96          3HG2      VAL  96 107.823  -5.902  -5.902
  704    H    LEU  97           H        LEU  97 111.666  -6.488  -6.488
  705    HA   LEU  97           HA       LEU  97 114.248  -6.309  -6.309
  706   1HB   LEU  97          2HB       LEU  97 113.194  -6.825  -6.825
  707   2HB   LEU  97          1HB       LEU  97 114.879  -6.420  -6.420
  708    HG   LEU  97           HG       LEU  97 112.486  -4.721  -4.721
  709   1HD1  LEU  97          1HD1      LEU  97 114.369  -4.765  -4.765
  710   2HD1  LEU  97          3HD1      LEU  97 113.897  -3.190  -3.190
  711   3HD1  LEU  97          2HD1      LEU  97 112.666  -4.310  -4.310
  712   1HD2  LEU  97          1HD2      LEU  97 115.351  -4.690  -4.690
  713   2HD2  LEU  97          3HD2      LEU  97 113.970  -3.951  -3.951
  714   3HD2  LEU  97          2HD2      LEU  97 114.719  -3.141  -3.141
  715    H    HIS  98           H        HIS  98 113.143  -8.917  -8.917
  716    HA   HIS  98           HA       HIS  98 115.445 -10.583 -10.583
  717   1HB   HIS  98          2HB       HIS  98 113.502 -10.479 -10.479
  718   2HB   HIS  98          1HB       HIS  98 112.690 -11.595 -11.595
  719    HD1  HIS  98           HD1      HIS  98 113.825 -12.328 -12.328
  720    HD2  HIS  98           HD2      HIS  98 115.684 -13.164 -13.164
  721    HE1  HIS  98           HE1      HIS  98 115.411 -14.259 -14.259
  722    H    ARG  99           H        ARG  99 112.434 -10.208 -10.208
  723    HA   ARG  99           HA       ARG  99 112.640 -12.669 -12.669
  724   1HB   ARG  99          2HB       ARG  99 110.516 -11.512 -11.512
  725   2HB   ARG  99          1HB       ARG  99 111.142 -10.066 -10.066
  726   1HG   ARG  99          2HG       ARG  99 111.352 -11.253 -11.253
  727   2HG   ARG  99          1HG       ARG  99 110.889 -12.773 -12.773
  728   1HD   ARG  99          2HD       ARG  99 108.728 -11.421 -11.421
  729   2HD   ARG  99          1HD       ARG  99 109.179 -10.405 -10.405
  730    HE   ARG  99           HE       ARG  99 109.218 -12.509 -12.509
  731   1HH1  ARG  99          2HH1      ARG  99 106.461 -11.841 -11.841
  732   2HH1  ARG  99          1HH1      ARG  99 105.931 -13.445 -13.445
  733   1HH2  ARG  99          1HH2      ARG  99 109.067 -14.862 -14.862
  734   2HH2  ARG  99          2HH2      ARG  99 107.417 -15.154 -15.154
  735    H    ALA 100           H        ALA 100 114.537  -9.895  -9.895
  736    HA   ALA 100           HA       ALA 100 115.505 -10.568 -10.568
  737   1HB   ALA 100          2HB       ALA 100 114.617  -7.850  -7.850
  738   2HB   ALA 100          1HB       ALA 100 115.388  -8.145  -8.145
  739   3HB   ALA 100          3HB       ALA 100 113.800  -8.836  -8.836
  740    H    GLY 101           H        GLY 101 116.966 -11.265 -11.265
  741   1HA   GLY 101          2HA       GLY 101 119.048 -11.009 -11.009
  742   2HA   GLY 101          1HA       GLY 101 119.456 -10.014 -10.014
  743    H    ALA 102           H        ALA 102 118.861  -9.991  -9.991
  744    HA   ALA 102           HA       ALA 102 119.405  -7.129  -7.129
  745   1HB   ALA 102          2HB       ALA 102 116.953  -7.370  -7.370
  746   2HB   ALA 102          1HB       ALA 102 116.699  -8.155  -8.155
  747   3HB   ALA 102          3HB       ALA 102 117.240  -6.477  -6.477
  748    H    ARG 103           H        ARG 103 121.099  -8.095  -8.095
  749    HA   ARG 103           HA       ARG 103 120.789  -9.861  -9.861
  750   1HB   ARG 103          2HB       ARG 103 122.926  -9.056  -9.056
  751   2HB   ARG 103          1HB       ARG 103 122.539  -7.405  -7.405
  752   1HG   ARG 103          2HG       ARG 103 123.295  -7.796  -7.796
  753   2HG   ARG 103          1HG       ARG 103 122.207  -9.174  -9.174
  754   1HD   ARG 103          2HD       ARG 103 124.791  -9.394  -9.394
  755   2HD   ARG 103          1HD       ARG 103 124.724  -9.683  -9.683
  756    HE   ARG 103           HE       ARG 103 122.593 -11.126 -11.126
  757   1HH1  ARG 103          2HH1      ARG 103 125.937 -11.193 -11.193
  758   2HH1  ARG 103          1HH1      ARG 103 126.164 -12.836 -12.836
  759   1HH2  ARG 103          1HH2      ARG 103 122.933 -13.213 -13.213
  760   2HH2  ARG 103          2HH2      ARG 103 124.469 -13.974 -13.974
  761    H    LEU 104           H        LEU 104 119.370  -9.721  -9.721
  762    HA   LEU 104           HA       LEU 104 118.528  -7.036  -7.036
  763   1HB   LEU 104          2HB       LEU 104 117.467  -9.833  -9.833
  764   2HB   LEU 104          1HB       LEU 104 116.682  -8.331  -8.331
  765    HG   LEU 104           HG       LEU 104 117.265  -8.079  -8.079
  766   1HD1  LEU 104          1HD1      LEU 104 117.121 -10.790 -10.790
  767   2HD1  LEU 104          3HD1      LEU 104 115.480 -10.398 -10.398
  768   3HD1  LEU 104          2HD1      LEU 104 116.840 -10.064 -10.064
  769   1HD2  LEU 104          3HD2      LEU 104 114.698  -8.585  -8.585
  770   2HD2  LEU 104          2HD2      LEU 104 115.369  -7.024  -7.024
  771   3HD2  LEU 104          1HD2      LEU 104 114.750  -8.119  -8.119
  772    H    ASP 105           H        ASP 105 120.532  -9.731  -9.731
  773    HA   ASP 105           HA       ASP 105 120.407  -9.284  -9.284
  774   1HB   ASP 105          2HB       ASP 105 120.744 -11.503 -11.503
  775   2HB   ASP 105          1HB       ASP 105 122.318 -10.926 -10.926
  776    H    VAL 106           H        VAL 106 121.074  -6.862  -6.862
  777    HA   VAL 106           HA       VAL 106 124.047  -6.679  -6.679
  778    HB   VAL 106           HB       VAL 106 122.635  -5.880  -5.880
  779   1HG1  VAL 106          1HG1      VAL 106 122.108  -3.685  -3.685
  780   2HG1  VAL 106          3HG1      VAL 106 121.983  -3.453  -3.453
  781   3HG1  VAL 106          2HG1      VAL 106 120.924  -4.604  -4.604
  782   1HG2  VAL 106          2HG2      VAL 106 124.997  -4.863  -4.863
  783   2HG2  VAL 106          1HG2      VAL 106 124.680  -5.060  -5.060
  784   3HG2  VAL 106          3HG2      VAL 106 124.189  -3.579  -3.579
  785    H    ARG 107           H        ARG 107 124.341  -4.089  -4.089
  786    HA   ARG 107           HA       ARG 107 122.691  -3.795  -3.795
  787   1HB   ARG 107          2HB       ARG 107 125.718  -3.612  -3.612
  788   2HB   ARG 107          1HB       ARG 107 124.755  -3.508  -3.508
  789   1HG   ARG 107          2HG       ARG 107 124.014  -5.807  -5.807
  790   2HG   ARG 107          1HG       ARG 107 124.790  -5.934  -5.934
  791   1HD   ARG 107          2HD       ARG 107 126.803  -5.063  -5.063
  792   2HD   ARG 107          1HD       ARG 107 125.952  -6.406  -6.406
  793    HE   ARG 107           HE       ARG 107 126.501  -6.885  -6.885
  794   1HH1  ARG 107          2HH1      ARG 107 126.441  -8.666  -8.666
  795   2HH1  ARG 107          1HH1      ARG 107 128.064  -9.269  -9.269
  796   1HH2  ARG 107          1HH2      ARG 107 129.127  -6.985  -6.985
  797   2HH2  ARG 107          2HH2      ARG 107 129.580  -8.325  -8.325
  798    H    ASP 108           H        ASP 108 122.131  -1.679  -1.679
  799    HA   ASP 108           HA       ASP 108 122.725   0.359   0.359
  800   1HB   ASP 108          2HB       ASP 108 121.048  -0.076  -0.076
  801   2HB   ASP 108          1HB       ASP 108 121.598   1.590   1.590
  802    H    ALA 109           H        ALA 109 125.223  -0.234  -0.234
  803    HA   ALA 109           HA       ALA 109 127.232   0.632   0.632
  804   1HB   ALA 109          1HB       ALA 109 125.296   2.941   2.941
  805   2HB   ALA 109          3HB       ALA 109 126.947   3.170   3.170
  806   3HB   ALA 109          2HB       ALA 109 126.653   2.612   2.612
  807    H    TRP 110           H        TRP 110 125.170   2.705   2.705
  808    HA   TRP 110           HA       TRP 110 126.328   2.571   2.571
  809   1HB   TRP 110          2HB       TRP 110 123.372   2.343   2.343
  810   2HB   TRP 110          1HB       TRP 110 124.039   2.944   2.944
  811    HD1  TRP 110           HD1      TRP 110 122.311   4.969   4.969
  812    HE1  TRP 110           HE1      TRP 110 123.238   7.078   7.078
  813    HE3  TRP 110           HE3      TRP 110 127.148   3.489   3.489
  814    HZ2  TRP 110           HZ2      TRP 110 125.675   8.012   8.012
  815    HZ3  TRP 110           HZ3      TRP 110 128.729   5.014   5.014
  816    HH2  TRP 110           HH2      TRP 110 128.005   7.270   7.270
  817    H    GLY 111           H        GLY 111 123.644   0.350   0.350
  818   1HA   GLY 111          2HA       GLY 111 124.805  -2.072  -2.072
  819   2HA   GLY 111          1HA       GLY 111 124.314  -1.426  -1.426
  820    H    ARG 112           H        ARG 112 121.969  -0.022  -0.022
  821    HA   ARG 112           HA       ARG 112 119.932  -1.895  -1.895
  822   1HB   ARG 112          2HB       ARG 112 120.128   0.691   0.691
  823   2HB   ARG 112          1HB       ARG 112 118.608  -0.195  -0.195
  824   1HG   ARG 112          2HG       ARG 112 118.907  -0.213  -0.213
  825   2HG   ARG 112          1HG       ARG 112 120.207   0.957   0.957
  826   1HD   ARG 112          2HD       ARG 112 117.765   1.669   1.669
  827   2HD   ARG 112          1HD       ARG 112 117.528   1.610   1.610
  828    HE   ARG 112           HE       ARG 112 119.947   2.918   2.918
  829   1HH1  ARG 112          2HH1      ARG 112 118.012   3.473   3.473
  830   2HH1  ARG 112          1HH1      ARG 112 117.627   5.123   5.123
  831   1HH2  ARG 112          1HH2      ARG 112 118.939   4.993   4.993
  832   2HH2  ARG 112          2HH2      ARG 112 118.160   5.986   5.986
  833    H    LEU 113           H        LEU 113 118.828  -3.317  -3.317
  834    HA   LEU 113           HA       LEU 113 120.022  -3.775  -3.775
  835   1HB   LEU 113          2HB       LEU 113 119.423  -5.406  -5.406
  836   2HB   LEU 113          1HB       LEU 113 118.384  -5.924  -5.924
  837    HG   LEU 113           HG       LEU 113 120.707  -5.638  -5.638
  838   1HD1  LEU 113          2HD1      LEU 113 121.382  -5.966  -5.966
  839   2HD1  LEU 113          1HD1      LEU 113 122.312  -6.916  -6.916
  840   3HD1  LEU 113          3HD1      LEU 113 122.283  -5.157  -5.157
  841   1HD2  LEU 113          3HD2      LEU 113 119.106  -7.648  -7.648
  842   2HD2  LEU 113          2HD2      LEU 113 120.792  -8.000  -8.000
  843   3HD2  LEU 113          1HD2      LEU 113 120.215  -8.132  -8.132
  844    HA   PRO 114           HA       PRO 114 116.152  -2.990  -2.990
  845   1HB   PRO 114          2HB       PRO 114 115.841  -5.106  -5.106
  846   2HB   PRO 114          1HB       PRO 114 117.018  -3.801  -3.801
  847   1HG   PRO 114          2HG       PRO 114 117.440  -6.535  -6.535
  848   2HG   PRO 114          1HG       PRO 114 118.452  -5.600  -5.600
  849   1HD   PRO 114          2HD       PRO 114 119.001  -5.860  -5.860
  850   2HD   PRO 114          1HD       PRO 114 119.457  -4.427  -4.427
  851    H    VAL 115           H        VAL 115 116.489  -6.373  -6.373
  852    HA   VAL 115           HA       VAL 115 113.645  -6.896  -6.896
  853    HB   VAL 115           HB       VAL 115 115.438  -8.617  -8.617
  854   1HG1  VAL 115          1HG1      VAL 115 116.979  -7.297  -7.297
  855   2HG1  VAL 115          3HG1      VAL 115 116.061  -8.038  -8.038
  856   3HG1  VAL 115          2HG1      VAL 115 116.963  -9.049  -9.049
  857   1HG2  VAL 115          3HG2      VAL 115 113.117  -8.776  -8.776
  858   2HG2  VAL 115          2HG2      VAL 115 114.199 -10.147 -10.147
  859   3HG2  VAL 115          1HG2      VAL 115 114.285  -9.223  -9.223
  860    H    ASP 116           H        ASP 116 116.092  -5.643  -5.643
  861    HA   ASP 116           HA       ASP 116 114.452  -5.741  -5.741
  862   1HB   ASP 116          2HB       ASP 116 117.037  -4.563  -4.563
  863   2HB   ASP 116          1HB       ASP 116 116.307  -3.848  -3.848
  864    H    LEU 117           H        LEU 117 115.358  -3.031  -3.031
  865    HA   LEU 117           HA       LEU 117 113.836  -0.981  -0.981
  866   1HB   LEU 117          2HB       LEU 117 115.363  -0.565  -0.565
  867   2HB   LEU 117          1HB       LEU 117 114.479  -1.649  -1.649
  868    HG   LEU 117           HG       LEU 117 112.599  -0.148  -0.148
  869   1HD1  LEU 117          1HD1      LEU 117 114.050   1.373   1.373
  870   2HD1  LEU 117          3HD1      LEU 117 112.698   2.045   2.045
  871   3HD1  LEU 117          2HD1      LEU 117 112.461   0.620   0.620
  872   1HD2  LEU 117          1HD2      LEU 117 115.325   1.055   1.055
  873   2HD2  LEU 117          3HD2      LEU 117 114.123   0.632   0.632
  874   3HD2  LEU 117          2HD2      LEU 117 113.905   2.076   2.076
  875    H    ALA 118           H        ALA 118 112.784  -3.656  -3.656
  876    HA   ALA 118           HA       ALA 118 110.097  -2.642  -2.642
  877   1HB   ALA 118          2HB       ALA 118 111.639  -4.471  -4.471
  878   2HB   ALA 118          1HB       ALA 118 110.790  -5.556  -5.556
  879   3HB   ALA 118          3HB       ALA 118 109.881  -4.585  -4.585
  880    H    GLU 119           H        GLU 119 111.494  -5.102  -5.102
  881    HA   GLU 119           HA       GLU 119 108.995  -5.693  -5.693
  882   1HB   GLU 119          2HB       GLU 119 111.685  -6.562  -6.562
  883   2HB   GLU 119          1HB       GLU 119 111.358  -6.017  -6.017
  884   1HG   GLU 119          2HG       GLU 119 109.054  -7.423  -7.423
  885   2HG   GLU 119          1HG       GLU 119 110.352  -8.380  -8.380
  886    H    GLU 120           H        GLU 120 111.488  -3.259  -3.259
  887    HA   GLU 120           HA       GLU 120 110.740  -2.354  -2.354
  888   1HB   GLU 120          2HB       GLU 120 112.875  -1.982  -1.982
  889   2HB   GLU 120          1HB       GLU 120 111.987  -0.814  -0.814
  890   1HG   GLU 120          2HG       GLU 120 111.430   0.426   0.426
  891   2HG   GLU 120          1HG       GLU 120 112.493  -0.679  -0.679
  892    H    LEU 121           H        LEU 121 109.800  -1.330  -1.330
  893    HA   LEU 121           HA       LEU 121 108.029   0.779   0.779
  894   1HB   LEU 121          2HB       LEU 121 109.234  -0.138  -0.138
  895   2HB   LEU 121          1HB       LEU 121 107.520   0.194   0.194
  896    HG   LEU 121           HG       LEU 121 108.806   2.248   2.248
  897   1HD1  LEU 121          2HD1      LEU 121 110.764   1.641   1.641
  898   2HD1  LEU 121          1HD1      LEU 121 109.786   1.822   1.822
  899   3HD1  LEU 121          3HD1      LEU 121 110.139   3.229   3.229
  900   1HD2  LEU 121          3HD2      LEU 121 107.016   1.988   1.988
  901   2HD2  LEU 121          2HD2      LEU 121 106.770   2.898   2.898
  902   3HD2  LEU 121          1HD2      LEU 121 107.840   3.530   3.530
  903    H    GLY 122           H        GLY 122 107.719  -2.578  -2.578
  904   1HA   GLY 122          2HA       GLY 122 105.726  -3.758  -3.758
  905   2HA   GLY 122          1HA       GLY 122 104.780  -2.341  -2.341
  906    H    HIS 123           H        HIS 123 107.252  -3.540  -3.540
  907    HA   HIS 123           HA       HIS 123 105.092  -4.236  -4.236
  908   1HB   HIS 123          2HB       HIS 123 108.087  -3.805  -3.805
  909   2HB   HIS 123          1HB       HIS 123 106.984  -4.121  -4.121
  910    HD1  HIS 123           HD1      HIS 123 104.655  -2.341  -2.341
  911    HD2  HIS 123           HD2      HIS 123 108.553  -1.101  -1.101
  912    HE1  HIS 123           HE1      HIS 123 104.621   0.193   0.193
  913    H    ARG 124           H        ARG 124 105.382  -6.100  -6.100
  914    HA   ARG 124           HA       ARG 124 107.189  -8.193  -8.193
  915   1HB   ARG 124          2HB       ARG 124 105.264  -9.600  -9.600
  916   2HB   ARG 124          1HB       ARG 124 105.342  -8.056  -8.056
  917   1HG   ARG 124          2HG       ARG 124 103.120  -8.007  -8.007
  918   2HG   ARG 124          1HG       ARG 124 103.775  -7.314  -7.314
  919   1HD   ARG 124          2HD       ARG 124 102.662  -9.017  -9.017
  920   2HD   ARG 124          1HD       ARG 124 103.991 -10.040 -10.040
  921    HE   ARG 124           HE       ARG 124 102.462 -10.070 -10.070
  922   1HH1  ARG 124          1HH2      ARG 124 100.124  -8.952  -8.952
  923   2HH1  ARG 124          2HH2      ARG 124  99.298 -10.377 -10.377
  924   1HH2  ARG 124          2HH1      ARG 124 102.031 -12.461 -12.461
  925   2HH2  ARG 124          1HH1      ARG 124 100.380 -12.373 -12.373
  926    H    ASP 125           H        ASP 125 104.455  -7.546  -7.546
  927    HA   ASP 125           HA       ASP 125 104.550  -9.911  -9.911
  928   1HB   ASP 125          2HB       ASP 125 103.011  -7.767  -7.767
  929   2HB   ASP 125          1HB       ASP 125 104.171  -7.174  -7.174
  930    H    VAL 126           H        VAL 126 106.364  -6.838  -6.838
  931    HA   VAL 126           HA       VAL 126 108.058  -7.914  -7.914
  932    HB   VAL 126           HB       VAL 126 108.598  -5.444  -5.444
  933   1HG1  VAL 126          1HG1      VAL 126 109.414  -6.581  -6.581
  934   2HG1  VAL 126          3HG1      VAL 126 109.104  -4.847  -4.847
  935   3HG1  VAL 126          2HG1      VAL 126 110.306  -5.540  -5.540
  936   1HG2  VAL 126          3HG2      VAL 126 106.440  -5.928  -5.928
  937   2HG2  VAL 126          2HG2      VAL 126 106.352  -5.023  -5.023
  938   3HG2  VAL 126          1HG2      VAL 126 107.192  -4.337  -4.337
  939    H    ALA 127           H        ALA 127 108.451  -7.057  -7.057
  940    HA   ALA 127           HA       ALA 127 111.152  -7.682  -7.682
  941   1HB   ALA 127          1HB       ALA 127 109.176  -6.829  -6.829
  942   2HB   ALA 127          3HB       ALA 127 109.056  -8.534  -8.534
  943   3HB   ALA 127          2HB       ALA 127 110.559  -7.656  -7.656
  944    H    ARG 128           H        ARG 128 108.354  -9.909  -9.909
  945    HA   ARG 128           HA       ARG 128 109.878 -12.273 -12.273
  946   1HB   ARG 128          2HB       ARG 128 107.462 -12.056 -12.056
  947   2HB   ARG 128          1HB       ARG 128 107.214 -11.835 -11.835
  948   1HG   ARG 128          2HG       ARG 128 108.064 -14.087 -14.087
  949   2HG   ARG 128          1HG       ARG 128 108.402 -14.313 -14.313
  950   1HD   ARG 128          2HD       ARG 128 106.304 -15.268 -15.268
  951   2HD   ARG 128          1HD       ARG 128 105.783 -13.579 -13.579
  952    HE   ARG 128           HE       ARG 128 105.883 -13.623 -13.623
  953   1HH1  ARG 128          2HH1      ARG 128 103.685 -15.092 -15.092
  954   2HH1  ARG 128          1HH1      ARG 128 103.334 -16.419 -16.419
  955   1HH2  ARG 128          1HH2      ARG 128 106.093 -15.869 -15.869
  956   2HH2  ARG 128          2HH2      ARG 128 104.704 -16.863 -16.863
  957    H    TYR 129           H        TYR 129 108.462 -11.165 -11.165
  958    HA   TYR 129           HA       TYR 129 109.673 -13.178 -13.178
  959   1HB   TYR 129          2HB       TYR 129 107.889 -11.806 -11.806
  960   2HB   TYR 129          1HB       TYR 129 108.790 -10.322 -10.322
  961    HD1  TYR 129           HD2      TYR 129 110.798  -9.761  -9.761
  962    HD2  TYR 129           HD1      TYR 129 108.333 -13.150 -13.150
  963    HE1  TYR 129           HE2      TYR 129 111.857  -9.912  -9.912
  964    HE2  TYR 129           HE1      TYR 129 109.395 -13.305 -13.305
  965    HH   TYR 129           HH       TYR 129 112.022 -11.094 -11.094
  966    H    LEU 130           H        LEU 130 110.851  -9.982  -9.982
  967    HA   LEU 130           HA       LEU 130 113.267  -9.928  -9.928
  968   1HB   LEU 130          2HB       LEU 130 112.158  -8.669  -8.669
  969   2HB   LEU 130          1HB       LEU 130 113.896  -8.532  -8.532
  970    HG   LEU 130           HG       LEU 130 111.732  -7.683  -7.683
  971   1HD1  LEU 130          3HD1      LEU 130 112.075  -6.201  -6.201
  972   2HD1  LEU 130          2HD1      LEU 130 113.781  -6.071  -6.071
  973   3HD1  LEU 130          1HD1      LEU 130 112.547  -5.432  -5.432
  974   1HD2  LEU 130          3HD2      LEU 130 114.693  -8.027  -8.027
  975   2HD2  LEU 130          2HD2      LEU 130 113.441  -8.239  -8.239
  976   3HD2  LEU 130          1HD2      LEU 130 113.972  -6.618  -6.618
  977    H    ARG 131           H        ARG 131 112.441 -11.394 -11.394
  978    HA   ARG 131           HA       ARG 131 115.100 -12.098 -12.098
  979   1HB   ARG 131          2HB       ARG 131 113.437 -12.154 -12.154
  980   2HB   ARG 131          1HB       ARG 131 112.290 -12.978 -12.978
  981   1HG   ARG 131          2HG       ARG 131 113.652 -15.043 -15.043
  982   2HG   ARG 131          1HG       ARG 131 114.786 -14.216 -14.216
  983   1HD   ARG 131          2HD       ARG 131 113.168 -14.014 -14.014
  984   2HD   ARG 131          1HD       ARG 131 111.832 -14.411 -14.411
  985    HE   ARG 131           HE       ARG 131 113.687 -16.567 -16.567
  986   1HH1  ARG 131          1HH2      ARG 131 113.602 -15.814 -15.814
  987   2HH1  ARG 131          2HH2      ARG 131 112.340 -16.856 -16.856
  988   1HH2  ARG 131          2HH1      ARG 131 111.136 -17.571 -17.571
  989   2HH2  ARG 131          1HH1      ARG 131 110.953 -17.858 -17.858
  990    H    ALA 132           H        ALA 132 112.823 -13.558 -13.558
  991    HA   ALA 132           HA       ALA 132 114.259 -16.112 -16.112
  992   1HB   ALA 132          3HB       ALA 132 111.730 -15.079 -15.079
  993   2HB   ALA 132          2HB       ALA 132 112.492 -15.455 -15.455
  994   3HB   ALA 132          1HB       ALA 132 112.312 -16.714 -16.714
  995    H    ALA 133           H        ALA 133 114.038 -13.109 -13.109
  996    HA   ALA 133           HA       ALA 133 115.897 -14.092 -14.092
  997   1HB   ALA 133          3HB       ALA 133 113.895 -12.685 -12.685
  998   2HB   ALA 133          2HB       ALA 133 114.615 -11.388 -11.388
  999   3HB   ALA 133          1HB       ALA 133 115.388 -11.920 -11.920
 1000    H    ALA 134           H        ALA 134 116.030 -12.416 -12.416
 1001    HA   ALA 134           HA       ALA 134 118.865 -11.633 -11.633
 1002   1HB   ALA 134          2HB       ALA 134 116.579 -10.041 -10.041
 1003   2HB   ALA 134          1HB       ALA 134 117.699  -9.974  -9.974
 1004   3HB   ALA 134          3HB       ALA 134 118.234  -9.505  -9.505
 1005    H    GLY 135           H        GLY 135 116.515 -12.235 -12.235
 1006   1HA   GLY 135          2HA       GLY 135 116.841 -13.171 -13.171
 1007   2HA   GLY 135          1HA       GLY 135 117.979 -14.249 -14.249
 1008    H    GLY 136           H        GLY 136 120.072 -14.081 -14.081
 1009   1HA   GLY 136          2HA       GLY 136 121.812 -12.082 -12.082
 1010   2HA   GLY 136          1HA       GLY 136 120.863 -11.772 -11.772
 1011    H    THR 137           H        THR 137 121.875 -14.852 -14.852
 1012    HA   THR 137           HA       THR 137 122.554 -15.996 -15.996
 1013    HB   THR 137           HB       THR 137 121.754 -17.237 -17.237
 1014    HG1  THR 137           HG1      THR 137 123.328 -18.911 -18.911
 1015   1HG2  THR 137          3HG2      THR 137 123.042 -15.898 -15.898
 1016   2HG2  THR 137          2HG2      THR 137 124.516 -16.686 -16.686
 1017   3HG2  THR 137          1HG2      THR 137 123.244 -17.637 -17.637
 1018    H    ARG 138           H        ARG 138 124.545 -16.193 -16.193
 1019    HA   ARG 138           HA       ARG 138 127.062 -15.620 -15.620
 1020   1HB   ARG 138          2HB       ARG 138 125.593 -13.462 -13.462
 1021   2HB   ARG 138          1HB       ARG 138 126.585 -13.746 -13.746
 1022   1HG   ARG 138          2HG       ARG 138 127.750 -12.215 -12.215
 1023   2HG   ARG 138          1HG       ARG 138 128.610 -13.752 -13.752
 1024   1HD   ARG 138          2HD       ARG 138 127.753 -14.421 -14.421
 1025   2HD   ARG 138          1HD       ARG 138 126.555 -13.109 -13.109
 1026    HE   ARG 138           HE       ARG 138 129.042 -11.853 -11.853
 1027   1HH1  ARG 138          2HH1      ARG 138 127.031 -11.688 -11.688
 1028   2HH1  ARG 138          1HH1      ARG 138 128.087 -12.057 -12.057
 1029   1HH2  ARG 138          1HH2      ARG 138 130.617 -13.300 -13.300
 1030   2HH2  ARG 138          2HH2      ARG 138 130.118 -12.975 -12.975
 1031    H    GLY 139           H        GLY 139 125.731 -17.652 -17.652
 1032   1HA   GLY 139          2HA       GLY 139 128.016 -18.119 -18.119
 1033   2HA   GLY 139          1HA       GLY 139 126.514 -17.769 -17.769
 1034    H    SER 140           H        SER 140 126.588 -19.988 -19.988
 1035    HA   SER 140           HA       SER 140 125.479 -21.914 -21.914
 1036   1HB   SER 140          2HB       SER 140 127.515 -22.575 -22.575
 1037   2HB   SER 140          1HB       SER 140 126.977 -23.611 -23.611
 1038    HG   SER 140           HG       SER 140 128.935 -21.785 -21.785
 1039    H    ASN 141           H        ASN 141 123.564 -20.851 -20.851
 1040    HA   ASN 141           HA       ASN 141 122.982 -22.703 -22.703
 1041   1HB   ASN 141          2HB       ASN 141 123.850 -20.225 -20.225
 1042   2HB   ASN 141          1HB       ASN 141 122.157 -19.832 -19.832
 1043   1HD2  ASN 141          1HD2      ASN 141 123.497 -19.650 -19.650
 1044   2HD2  ASN 141          2HD2      ASN 141 122.697 -20.737 -20.737
 1045    H    HIS 142           H        HIS 142 121.459 -19.983 -19.983
 1046    HA   HIS 142           HA       HIS 142 119.037 -21.714 -21.714
 1047   1HB   HIS 142          2HB       HIS 142 119.526 -18.978 -18.978
 1048   2HB   HIS 142          1HB       HIS 142 118.185 -19.110 -19.110
 1049    HD1  HIS 142           HD1      HIS 142 116.154 -19.142 -19.142
 1050    HD2  HIS 142           HD2      HIS 142 119.111 -21.718 -21.718
 1051    HE1  HIS 142           HE1      HIS 142 115.136 -20.400 -20.400
 1052    H    ALA 143           H        ALA 143 121.302 -21.507 -21.507
 1053    HA   ALA 143           HA       ALA 143 119.799 -20.504 -20.504
 1054   1HB   ALA 143          2HB       ALA 143 121.828 -19.077 -19.077
 1055   2HB   ALA 143          1HB       ALA 143 122.640 -19.828 -19.828
 1056   3HB   ALA 143          3HB       ALA 143 121.241 -18.786 -18.786
 1057    H    ARG 144           H        ARG 144 120.863 -21.333 -21.333
 1058    HA   ARG 144           HA       ARG 144 121.700 -23.160 -23.160
 1059   1HB   ARG 144          2HB       ARG 144 123.621 -22.243 -22.243
 1060   2HB   ARG 144          1HB       ARG 144 123.816 -23.978 -23.978
 1061   1HG   ARG 144          2HG       ARG 144 125.010 -23.437 -23.437
 1062   2HG   ARG 144          1HG       ARG 144 123.467 -23.007 -23.007
 1063   1HD   ARG 144          2HD       ARG 144 124.775 -21.048 -21.048
 1064   2HD   ARG 144          1HD       ARG 144 123.827 -20.689 -20.689
 1065    HE   ARG 144           HE       ARG 144 125.790 -21.359 -21.359
 1066   1HH1  ARG 144          1HH2      ARG 144 126.878 -22.748 -22.748
 1067   2HH1  ARG 144          2HH2      ARG 144 128.303 -21.791 -21.791
 1068   1HH2  ARG 144          2HH1      ARG 144 127.343 -19.346 -19.346
 1069   2HH2  ARG 144          1HH1      ARG 144 128.563 -19.858 -19.858
 1070    H    ILE 145           H        ILE 145 122.392 -25.598 -25.598
 1071    HA   ILE 145           HA       ILE 145 120.766 -26.805 -26.805
 1072    HB   ILE 145           HB       ILE 145 119.823 -26.851 -26.851
 1073   1HG1  ILE 145          2HG1      ILE 145 120.328 -29.279 -29.279
 1074   2HG1  ILE 145          1HG1      ILE 145 118.832 -28.378 -28.378
 1075   1HG2  ILE 145          1HG2      ILE 145 122.264 -27.417 -27.417
 1076   2HG2  ILE 145          3HG2      ILE 145 121.782 -29.078 -29.078
 1077   3HG2  ILE 145          2HG2      ILE 145 120.871 -28.123 -28.123
 1078   1HD1  ILE 145          3HD1      ILE 145 118.995 -29.179 -29.179
 1079   2HD1  ILE 145          2HD1      ILE 145 120.116 -30.383 -30.383
 1080   3HD1  ILE 145          1HD1      ILE 145 118.457 -30.327 -30.327
 1081    H    ASP 146           H        ASP 146 123.502 -26.305 -26.305
 1082    HA   ASP 146           HA       ASP 146 125.472 -27.445 -27.445
 1083   1HB   ASP 146          2HB       ASP 146 123.272 -29.106 -29.106
 1084   2HB   ASP 146          1HB       ASP 146 124.398 -30.142 -30.142
 1085    H    ALA 147           H        ALA 147 125.468 -26.656 -26.656
 1086    HA   ALA 147           HA       ALA 147 125.661 -28.508 -28.508
 1087   1HB   ALA 147          1HB       ALA 147 126.910 -25.893 -25.893
 1088   2HB   ALA 147          3HB       ALA 147 127.628 -26.773 -26.773
 1089   3HB   ALA 147          2HB       ALA 147 125.926 -26.316 -26.316
 1090    H    ALA 148           H        ALA 148 127.200 -30.027 -30.027
 1091    HA   ALA 148           HA       ALA 148 129.113 -31.417 -31.417
 1092   1HB   ALA 148          3HB       ALA 148 129.941 -28.813 -28.813
 1093   2HB   ALA 148          2HB       ALA 148 130.559 -29.492 -29.492
 1094   3HB   ALA 148          1HB       ALA 148 131.044 -30.190 -30.190
 1095    H    GLU 149           H        GLU 149 130.738 -32.231 -32.231
 1096    HA   GLU 149           HA       GLU 149 128.984 -32.914 -32.914
 1097   1HB   GLU 149          2HB       GLU 149 130.043 -34.695 -34.695
 1098   2HB   GLU 149          1HB       GLU 149 131.629 -34.087 -34.087
 1099   1HG   GLU 149          2HG       GLU 149 131.457 -34.927 -34.927
 1100   2HG   GLU 149          1HG       GLU 149 129.713 -34.657 -34.657
 1101    H    GLY 150           H        GLY 150 130.693 -30.362 -30.362
 1102   1HA   GLY 150          2HA       GLY 150 132.063 -28.951 -28.951
 1103   2HA   GLY 150          1HA       GLY 150 131.440 -29.841 -29.841
 1104    HA   PRO 151           HA       PRO 151 135.964 -30.796 -30.796
 1105   1HB   PRO 151          2HB       PRO 151 136.911 -29.690 -29.690
 1106   2HB   PRO 151          1HB       PRO 151 136.799 -28.793 -28.793
 1107   1HG   PRO 151          2HG       PRO 151 135.012 -28.718 -28.718
 1108   2HG   PRO 151          1HG       PRO 151 135.493 -27.417 -27.417
 1109   1HD   PRO 151          2HD       PRO 151 133.069 -28.698 -28.698
 1110   2HD   PRO 151          1HD       PRO 151 133.821 -27.878 -27.878
 1111    H    SER 152           H        SER 152 135.424 -30.527 -30.527
 1112    HA   SER 152           HA       SER 152 135.168 -32.180 -32.180
 1113   1HB   SER 152          2HB       SER 152 133.485 -32.816 -32.816
 1114   2HB   SER 152          1HB       SER 152 134.307 -34.324 -34.324
 1115    HG   SER 152           HG       SER 152 133.731 -33.753 -33.753
 1116    H    ASP 153           H        ASP 153 137.518 -32.149 -32.149
 1117    HA   ASP 153           HA       ASP 153 139.489 -33.394 -33.394
 1118   1HB   ASP 153          2HB       ASP 153 138.572 -34.049 -34.049
 1119   2HB   ASP 153          1HB       ASP 153 140.095 -34.675 -34.675
 1120    H    ILE 154           H        ILE 154 138.496 -34.703 -34.703
 1121    HA   ILE 154           HA       ILE 154 138.087 -37.542 -37.542
 1122    HB   ILE 154           HB       ILE 154 135.942 -36.383 -36.383
 1123   1HG1  ILE 154          2HG1      ILE 154 136.174 -38.097 -38.097
 1124   2HG1  ILE 154          1HG1      ILE 154 136.829 -38.838 -38.838
 1125   1HG2  ILE 154          2HG2      ILE 154 137.332 -34.974 -34.974
 1126   2HG2  ILE 154          1HG2      ILE 154 136.641 -36.215 -36.215
 1127   3HG2  ILE 154          3HG2      ILE 154 135.586 -35.182 -35.182
 1128   1HD1  ILE 154          3HD1      ILE 154 134.526 -37.779 -37.779
 1129   2HD1  ILE 154          2HD1      ILE 154 134.032 -38.144 -38.144
 1130   3HD1  ILE 154          1HD1      ILE 154 134.655 -39.427 -39.427
 1131    HA   PRO 155           HA       PRO 155 141.151 -37.074 -37.074
 1132   1HB   PRO 155          2HB       PRO 155 143.383 -37.874 -37.874
 1133   2HB   PRO 155          1HB       PRO 155 142.828 -36.189 -36.189
 1134   1HG   PRO 155          2HG       PRO 155 142.644 -38.222 -38.222
 1135   2HG   PRO 155          1HG       PRO 155 142.765 -36.463 -36.463
 1136   1HD   PRO 155          2HD       PRO 155 140.432 -37.994 -37.994
 1137   2HD   PRO 155          1HD       PRO 155 140.517 -36.233 -36.233
 1138    H    ASP 156           HN       ASP 156 141.176 -38.860 -38.860
 1139    HA   ASP 156           HA       ASP 156 140.811 -41.543 -41.543
 1140   1HB   ASP 156          2HB       ASP 156 140.389 -40.168 -40.168
 1141   2HB   ASP 156          1HB       ASP 156 140.778 -41.888 -41.888

  Start of MODEL    9
    1   1H    MET   1          1H        MET   1 100.760  15.215  15.215
    2   2H    MET   1          3H        MET   1  99.766  16.031  16.031
    3   3H    MET   1          2H        MET   1  99.277  15.867  15.867
    4    HA   MET   1           HA       MET   1 100.090  18.114  18.114
    5   1HB   MET   1          2HB       MET   1 102.490  16.495  16.495
    6   2HB   MET   1          1HB       MET   1 102.551  18.237  18.237
    7   1HG   MET   1          2HG       MET   1 100.579  18.425  18.425
    8   2HG   MET   1          1HG       MET   1 100.888  16.742  16.742
    9   1HE   MET   1          3HE       MET   1 100.713  18.842  18.842
   10   2HE   MET   1          2HE       MET   1 101.392  17.337  17.337
   11   3HE   MET   1          1HE       MET   1 102.171  18.869  18.869
   12    H    GLU   2           H        GLU   2 101.781  19.168  19.168
   13    HA   GLU   2           HA       GLU   2 101.690  17.814  17.814
   14   1HB   GLU   2          2HB       GLU   2 102.880  20.417  20.417
   15   2HB   GLU   2          1HB       GLU   2 102.787  19.968  19.968
   16   1HG   GLU   2          2HG       GLU   2 100.430  20.030  20.030
   17   2HG   GLU   2          1HG       GLU   2 100.329  19.943  19.943
   18    HA   PRO   3           HA       PRO   3 105.722  16.065  16.065
   19   1HB   PRO   3          2HB       PRO   3 106.573  16.598  16.598
   20   2HB   PRO   3          1HB       PRO   3 105.330  15.385  15.385
   21   1HG   PRO   3          2HG       PRO   3 105.011  18.182  18.182
   22   2HG   PRO   3          1HG       PRO   3 104.137  16.716  16.716
   23   1HD   PRO   3          2HD       PRO   3 103.106  18.560  18.560
   24   2HD   PRO   3          1HD       PRO   3 102.707  16.830  16.830
   25    H    ALA   4           H        ALA   4 107.278  17.091  17.091
   26    HA   ALA   4           HA       ALA   4 108.021  19.866  19.866
   27   1HB   ALA   4          1HB       ALA   4 108.176  18.418  18.418
   28   2HB   ALA   4          3HB       ALA   4 109.528  17.572  17.572
   29   3HB   ALA   4          2HB       ALA   4 109.669  19.285  19.285
   30    H    ALA   5           H        ALA   5 110.626  20.204  20.204
   31    HA   ALA   5           HA       ALA   5 111.306  19.497  19.497
   32   1HB   ALA   5          1HB       ALA   5 112.436  21.146  21.146
   33   2HB   ALA   5          3HB       ALA   5 113.473  20.756  20.756
   34   3HB   ALA   5          2HB       ALA   5 111.973  21.647  21.647
   35    H    GLY   6           H        GLY   6 112.588  18.708  18.708
   36   1HA   GLY   6          2HA       GLY   6 113.284  16.282  16.282
   37   2HA   GLY   6          1HA       GLY   6 114.150  16.492  16.492
   38    H    SER   7           H        SER   7 116.109  15.885  15.885
   39    HA   SER   7           HA       SER   7 118.112  16.429  16.429
   40   1HB   SER   7          2HB       SER   7 117.415  18.435  18.435
   41   2HB   SER   7          1HB       SER   7 117.463  19.322  19.322
   42    HG   SER   7           HG       SER   7 119.499  18.042  18.042
   43    H    SER   8           H        SER   8 118.858  18.265  18.265
   44    HA   SER   8           HA       SER   8 116.809  18.946  18.946
   45   1HB   SER   8          2HB       SER   8 118.285  17.208  17.208
   46   2HB   SER   8          1HB       SER   8 116.711  16.842  16.842
   47    HG   SER   8           HG       SER   8 119.128  15.792  15.792
   48    H    MET   9           H        MET   9 117.642  20.796  20.796
   49    HA   MET   9           HA       MET   9 120.178  21.880  21.880
   50   1HB   MET   9          2HB       MET   9 117.844  22.236  22.236
   51   2HB   MET   9          1HB       MET   9 119.318  22.663  22.663
   52   1HG   MET   9          2HG       MET   9 119.926  24.296  24.296
   53   2HG   MET   9          1HG       MET   9 118.804  23.656  23.656
   54   1HE   MET   9          3HE       MET   9 116.667  24.422  24.422
   55   2HE   MET   9          2HE       MET   9 116.048  25.944  25.944
   56   3HE   MET   9          1HE       MET   9 117.646  25.891  25.891
   57    H    GLU  10           H        GLU  10 119.198  19.433  19.433
   58    HA   GLU  10           HA       GLU  10 122.051  18.992  18.992
   59   1HB   GLU  10          2HB       GLU  10 121.463  19.100  19.100
   60   2HB   GLU  10          1HB       GLU  10 121.241  20.646  20.646
   61   1HG   GLU  10          2HG       GLU  10 118.841  18.989  18.989
   62   2HG   GLU  10          1HG       GLU  10 119.325  19.300  19.300
   63    HA   PRO  11           HA       PRO  11 120.512  14.847  14.847
   64   1HB   PRO  11          2HB       PRO  11 122.649  13.565  13.565
   65   2HB   PRO  11          1HB       PRO  11 122.674  14.214  14.214
   66   1HG   PRO  11          2HG       PRO  11 123.869  15.319  15.319
   67   2HG   PRO  11          1HG       PRO  11 124.463  15.373  15.373
   68   1HD   PRO  11          2HD       PRO  11 123.222  17.467  17.467
   69   2HD   PRO  11          1HD       PRO  11 123.320  17.279  17.279
   70    H    SER  12           H        SER  12 118.833  15.336  15.336
   71    HA   SER  12           HA       SER  12 119.609  14.696  14.696
   72   1HB   SER  12          2HB       SER  12 117.998  16.604  16.604
   73   2HB   SER  12          1HB       SER  12 116.814  15.393  15.393
   74    HG   SER  12           HG       SER  12 118.870  16.254  16.254
   75    H    ALA  13           H        ALA  13 116.699  13.947  13.947
   76    HA   ALA  13           HA       ALA  13 115.405  11.974  11.974
   77   1HB   ALA  13          3HB       ALA  13 118.137  11.486  11.486
   78   2HB   ALA  13          2HB       ALA  13 117.574  10.111  10.111
   79   3HB   ALA  13          1HB       ALA  13 116.735  10.560  10.560
   80    H    ASP  14           H        ASP  14 116.066  13.117  13.117
   81    HA   ASP  14           HA       ASP  14 116.119  10.663  10.663
   82   1HB   ASP  14          2HB       ASP  14 116.258  13.620  13.620
   83   2HB   ASP  14          1HB       ASP  14 116.519  12.302  12.302
   84    H    TRP  15           H        TRP  15 113.743  11.771  11.771
   85    HA   TRP  15           HA       TRP  15 111.780  12.727  12.727
   86   1HB   TRP  15          2HB       TRP  15 111.603  11.486  11.486
   87   2HB   TRP  15          1HB       TRP  15 110.250  12.254  12.254
   88    HD1  TRP  15           HD1      TRP  15 113.279  14.111  14.111
   89    HE1  TRP  15           HE1      TRP  15 113.510  16.242  16.242
   90    HE3  TRP  15           HE3      TRP  15 109.820  13.130  13.130
   91    HZ2  TRP  15           HZ2      TRP  15 112.374  17.389  17.389
   92    HZ3  TRP  15           HZ3      TRP  15 109.412  14.761  14.761
   93    HH2  TRP  15           HH2      TRP  15 110.684  16.888  16.888
   94    H    LEU  16           H        LEU  16 112.748   9.563   9.563
   95    HA   LEU  16           HA       LEU  16 110.575   7.947   7.947
   96   1HB   LEU  16          2HB       LEU  16 112.468   6.219   6.219
   97   2HB   LEU  16          1HB       LEU  16 112.360   6.992   6.992
   98    HG   LEU  16           HG       LEU  16 113.990   8.616   8.616
   99   1HD1  LEU  16          3HD1      LEU  16 114.795   5.705   5.705
  100   2HD1  LEU  16          2HD1      LEU  16 115.881   7.001   7.001
  101   3HD1  LEU  16          1HD1      LEU  16 114.488   6.585   6.585
  102   1HD2  LEU  16          1HD2      LEU  16 114.390   7.049   7.049
  103   2HD2  LEU  16          3HD2      LEU  16 114.184   8.790   8.790
  104   3HD2  LEU  16          2HD2      LEU  16 115.678   8.019   8.019
  105    H    ALA  17           H        ALA  17 113.135   9.339   9.339
  106    HA   ALA  17           HA       ALA  17 112.292   7.831   7.831
  107   1HB   ALA  17          3HB       ALA  17 114.616   8.941   8.941
  108   2HB   ALA  17          2HB       ALA  17 114.021  10.242  10.242
  109   3HB   ALA  17          1HB       ALA  17 114.265   8.630   8.630
  110    H    THR  18           H        THR  18 112.220  11.267  11.267
  111    HA   THR  18           HA       THR  18 110.965  12.430  12.430
  112    HB   THR  18           HB       THR  18 109.833  13.458  13.458
  113    HG1  THR  18           HG1      THR  18 112.008  13.801  13.801
  114   1HG2  THR  18          2HG2      THR  18 110.799  14.520  14.520
  115   2HG2  THR  18          1HG2      THR  18 112.292  14.577  14.577
  116   3HG2  THR  18          3HG2      THR  18 110.854  15.415  15.415
  117    H    ALA  19           H        ALA  19 109.295  11.004  11.004
  118    HA   ALA  19           HA       ALA  19 106.650  11.308  11.308
  119   1HB   ALA  19          1HB       ALA  19 107.996   9.753   9.753
  120   2HB   ALA  19          3HB       ALA  19 106.334   9.343   9.343
  121   3HB   ALA  19          2HB       ALA  19 106.731  10.974  10.974
  122    H    ALA  20           H        ALA  20 109.002   8.619   8.619
  123    HA   ALA  20           HA       ALA  20 107.378   6.635   6.635
  124   1HB   ALA  20          1HB       ALA  20 110.329   7.315   7.315
  125   2HB   ALA  20          3HB       ALA  20 109.646   5.834   5.834
  126   3HB   ALA  20          2HB       ALA  20 109.570   6.133   6.133
  127    H    ALA  21           H        ALA  21 109.559   9.001   9.001
  128    HA   ALA  21           HA       ALA  21 108.973   8.392   8.392
  129   1HB   ALA  21          2HB       ALA  21 110.165  10.537  10.537
  130   2HB   ALA  21          1HB       ALA  21 109.428  11.129  11.129
  131   3HB   ALA  21          3HB       ALA  21 110.678   9.888   9.888
  132    H    ARG  22           H        ARG  22 107.180  10.293  10.293
  133    HA   ARG  22           HA       ARG  22 105.312  11.318  11.318
  134   1HB   ARG  22          2HB       ARG  22 105.607  11.662  11.662
  135   2HB   ARG  22          1HB       ARG  22 104.387  12.493  12.493
  136   1HG   ARG  22          2HG       ARG  22 107.101  12.702  12.702
  137   2HG   ARG  22          1HG       ARG  22 106.935  13.439  13.439
  138   1HD   ARG  22          2HD       ARG  22 106.401  15.096  15.096
  139   2HD   ARG  22          1HD       ARG  22 104.927  14.692  14.692
  140    HE   ARG  22           HE       ARG  22 104.287  13.192  13.192
  141   1HH1  ARG  22          2HH1      ARG  22 107.019  12.743  12.743
  142   2HH1  ARG  22          1HH1      ARG  22 106.972  13.727  13.727
  143   1HH2  ARG  22          1HH2      ARG  22 104.201  15.538  15.538
  144   2HH2  ARG  22          2HH2      ARG  22 105.376  15.302  15.302
  145    H    GLY  23           H        GLY  23 105.499   8.358   8.358
  146   1HA   GLY  23          2HA       GLY  23 104.022   6.615   6.615
  147   2HA   GLY  23          1HA       GLY  23 102.823   7.629   7.629
  148    H    ARG  24           H        ARG  24 104.590   7.630   7.630
  149    HA   ARG  24           HA       ARG  24 101.959   8.104   8.104
  150   1HB   ARG  24          2HB       ARG  24 104.080   9.900   9.900
  151   2HB   ARG  24          1HB       ARG  24 104.282   9.319   9.319
  152   1HG   ARG  24          2HG       ARG  24 102.828  11.271  11.271
  153   2HG   ARG  24          1HG       ARG  24 101.870   9.844   9.844
  154   1HD   ARG  24          2HD       ARG  24 100.776   9.830   9.830
  155   2HD   ARG  24          1HD       ARG  24 102.077  10.733  10.733
  156    HE   ARG  24           HE       ARG  24 100.294  11.983  11.983
  157   1HH1  ARG  24          2HH1      ARG  24 100.661  11.884  11.884
  158   2HH1  ARG  24          1HH1      ARG  24 100.936  13.579  13.579
  159   1HH2  ARG  24          1HH2      ARG  24 101.288  14.242  14.242
  160   2HH2  ARG  24          2HH2      ARG  24 101.293  14.914  14.914
  161    H    VAL  25           H        VAL  25 102.844   5.545   5.545
  162    HA   VAL  25           HA       VAL  25 104.733   4.418   4.418
  163    HB   VAL  25           HB       VAL  25 101.821   3.630   3.630
  164   1HG1  VAL  25          1HG1      VAL  25 103.272   2.488   2.488
  165   2HG1  VAL  25          3HG1      VAL  25 104.098   1.726   1.726
  166   3HG1  VAL  25          2HG1      VAL  25 102.368   1.473   1.473
  167   1HG2  VAL  25          3HG2      VAL  25 103.862   3.918   3.918
  168   2HG2  VAL  25          2HG2      VAL  25 102.375   2.992   2.992
  169   3HG2  VAL  25          1HG2      VAL  25 103.843   2.190   2.190
  170    H    GLU  26           H        GLU  26 101.399   5.100   5.100
  171    HA   GLU  26           HA       GLU  26 101.652   4.556   4.556
  172   1HB   GLU  26          2HB       GLU  26 100.184   6.663   6.663
  173   2HB   GLU  26          1HB       GLU  26  99.979   6.545   6.545
  174   1HG   GLU  26          2HG       GLU  26  99.725   4.079   4.079
  175   2HG   GLU  26          1HG       GLU  26  98.366   5.195   5.195
  176    H    GLU  27           H        GLU  27 102.712   7.515   7.515
  177    HA   GLU  27           HA       GLU  27 103.506   8.919   8.919
  178   1HB   GLU  27          2HB       GLU  27 102.963   9.911   9.911
  179   2HB   GLU  27          1HB       GLU  27 104.470   9.229   9.229
  180   1HG   GLU  27          2HG       GLU  27 105.359  11.229  11.229
  181   2HG   GLU  27          1HG       GLU  27 105.360  10.502  10.502
  182    H    VAL  28           H        VAL  28 105.185   6.767   6.767
  183    HA   VAL  28           HA       VAL  28 107.808   7.167   7.167
  184    HB   VAL  28           HB       VAL  28 106.912   4.928   4.928
  185   1HG1  VAL  28          1HG1      VAL  28 109.293   5.247   5.247
  186   2HG1  VAL  28          3HG1      VAL  28 109.527   6.361   6.361
  187   3HG1  VAL  28          2HG1      VAL  28 109.156   4.667   4.667
  188   1HG2  VAL  28          2HG2      VAL  28 107.463   7.832   7.832
  189   2HG2  VAL  28          1HG2      VAL  28 106.134   6.827   6.827
  190   3HG2  VAL  28          3HG2      VAL  28 107.758   6.595   6.595
  191    H    ARG  29           H        ARG  29 105.289   4.636   4.636
  192    HA   ARG  29           HA       ARG  29 106.577   2.634   2.634
  193   1HB   ARG  29          2HB       ARG  29 103.722   3.673   3.673
  194   2HB   ARG  29          1HB       ARG  29 104.246   2.107   2.107
  195   1HG   ARG  29          2HG       ARG  29 104.628   2.973   2.973
  196   2HG   ARG  29          1HG       ARG  29 103.245   2.035   2.035
  197   1HD   ARG  29          2HD       ARG  29 105.814   0.920   0.920
  198   2HD   ARG  29          1HD       ARG  29 105.632   0.951   0.951
  199    HE   ARG  29           HE       ARG  29 103.230   0.040   0.040
  200   1HH1  ARG  29          2HH1      ARG  29 106.187  -1.362  -1.362
  201   2HH1  ARG  29          1HH1      ARG  29 105.813  -2.762  -2.762
  202   1HH2  ARG  29          1HH2      ARG  29 102.766  -1.521  -1.521
  203   2HH2  ARG  29          2HH2      ARG  29 103.870  -2.854  -2.854
  204    H    ALA  30           H        ALA  30 104.921   5.579   5.579
  205    HA   ALA  30           HA       ALA  30 105.481   5.036   5.036
  206   1HB   ALA  30          2HB       ALA  30 104.087   7.031   7.031
  207   2HB   ALA  30          1HB       ALA  30 104.750   7.662   7.662
  208   3HB   ALA  30          3HB       ALA  30 103.595   6.329   6.329
  209    H    LEU  31           H        LEU  31 106.519   7.588   7.588
  210    HA   LEU  31           HA       LEU  31 108.453   8.918   8.918
  211   1HB   LEU  31          2HB       LEU  31 108.171   8.107   8.107
  212   2HB   LEU  31          1HB       LEU  31 109.651   8.920   8.920
  213    HG   LEU  31           HG       LEU  31 106.821   9.969   9.969
  214   1HD1  LEU  31          2HD1      LEU  31 109.124  10.515  10.515
  215   2HD1  LEU  31          1HD1      LEU  31 108.044  11.842  11.842
  216   3HD1  LEU  31          3HD1      LEU  31 107.403  10.404  10.404
  217   1HD2  LEU  31          2HD2      LEU  31 109.481  10.917  10.917
  218   2HD2  LEU  31          1HD2      LEU  31 107.931  10.814  10.814
  219   3HD2  LEU  31          3HD2      LEU  31 108.202  12.078  12.078
  220    H    LEU  32           H        LEU  32 109.228   6.151   6.151
  221    HA   LEU  32           HA       LEU  32 111.896   5.738   5.738
  222   1HB   LEU  32          2HB       LEU  32 110.061   4.577   4.577
  223   2HB   LEU  32          1HB       LEU  32 110.214   3.333   3.333
  224    HG   LEU  32           HG       LEU  32 112.735   4.554   4.554
  225   1HD1  LEU  32          1HD1      LEU  32 110.772   3.104   3.104
  226   2HD1  LEU  32          3HD1      LEU  32 112.405   2.442   2.442
  227   3HD1  LEU  32          2HD1      LEU  32 112.118   4.127   4.127
  228   1HD2  LEU  32          2HD2      LEU  32 112.672   2.827   2.827
  229   2HD2  LEU  32          1HD2      LEU  32 113.532   2.259   2.259
  230   3HD2  LEU  32          3HD2      LEU  32 111.882   1.722   1.722
  231    H    GLU  33           H        GLU  33 109.000   4.151   4.151
  232    HA   GLU  33           HA       GLU  33 110.453   2.820   2.820
  233   1HB   GLU  33          2HB       GLU  33 107.530   3.561   3.561
  234   2HB   GLU  33          1HB       GLU  33 108.131   2.416   2.416
  235   1HG   GLU  33          2HG       GLU  33 109.115   1.048   1.048
  236   2HG   GLU  33          1HG       GLU  33 108.412   2.158   2.158
  237    H    ALA  34           H        ALA  34 109.597   6.100   6.100
  238    HA   ALA  34           HA       ALA  34 109.284   6.655   6.655
  239   1HB   ALA  34          1HB       ALA  34 108.237   7.726   7.726
  240   2HB   ALA  34          3HB       ALA  34 109.552   8.852   8.852
  241   3HB   ALA  34          2HB       ALA  34 108.307   8.581   8.581
  242    H    GLY  35           H        GLY  35 111.856   6.503   6.503
  243   1HA   GLY  35          2HA       GLY  35 114.028   6.745   6.745
  244   2HA   GLY  35          1HA       GLY  35 113.516   8.429   8.429
  245    H    ALA  36           H        ALA  36 112.480   7.889   7.889
  246    HA   ALA  36           HA       ALA  36 114.510   9.071   9.071
  247   1HB   ALA  36          2HB       ALA  36 112.030   7.699   7.699
  248   2HB   ALA  36          1HB       ALA  36 113.175   7.144   7.144
  249   3HB   ALA  36          3HB       ALA  36 112.818   8.864   8.864
  250    H    LEU  37           H        LEU  37 116.413   8.370   8.370
  251    HA   LEU  37           HA       LEU  37 117.582   5.858   5.858
  252   1HB   LEU  37          2HB       LEU  37 118.308   8.188   8.188
  253   2HB   LEU  37          1HB       LEU  37 119.334   6.752   6.752
  254    HG   LEU  37           HG       LEU  37 118.474   7.976   7.976
  255   1HD1  LEU  37          2HD1      LEU  37 120.407   9.068   9.068
  256   2HD1  LEU  37          1HD1      LEU  37 120.945   9.019   9.019
  257   3HD1  LEU  37          3HD1      LEU  37 119.480   9.902   9.902
  258   1HD2  LEU  37          2HD2      LEU  37 119.626   5.717   5.717
  259   2HD2  LEU  37          1HD2      LEU  37 120.442   6.880   6.880
  260   3HD2  LEU  37          3HD2      LEU  37 121.042   6.590   6.590
  261    HA   PRO  38           HA       PRO  38 116.378   3.274   3.274
  262   1HB   PRO  38          2HB       PRO  38 118.524   1.580   1.580
  263   2HB   PRO  38          1HB       PRO  38 117.315   1.514   1.514
  264   1HG   PRO  38          2HG       PRO  38 120.048   2.680   2.680
  265   2HG   PRO  38          1HG       PRO  38 119.174   1.830   1.830
  266   1HD   PRO  38          2HD       PRO  38 119.473   4.553   4.553
  267   2HD   PRO  38          1HD       PRO  38 118.145   3.727   3.727
  268    H    ASN  39           H        ASN  39 119.883   4.013   4.013
  269    HA   ASN  39           HA       ASN  39 119.619   4.259   4.259
  270   1HB   ASN  39          2HB       ASN  39 121.575   3.332   3.332
  271   2HB   ASN  39          1HB       ASN  39 122.284   4.629   4.629
  272   1HD2  ASN  39          1HD2      ASN  39 119.775   2.331   2.331
  273   2HD2  ASN  39          2HD2      ASN  39 120.744   1.619   1.619
  274    H    ALA  40           H        ALA  40 118.784   6.302   6.302
  275    HA   ALA  40           HA       ALA  40 120.311   8.556   8.556
  276   1HB   ALA  40          2HB       ALA  40 117.556   7.845   7.845
  277   2HB   ALA  40          1HB       ALA  40 117.729   9.353   9.353
  278   3HB   ALA  40          3HB       ALA  40 118.281   9.254   9.254
  279    HA   PRO  41           HA       PRO  41 121.215   9.164   9.164
  280   1HB   PRO  41          2HB       PRO  41 123.503  10.605  10.605
  281   2HB   PRO  41          1HB       PRO  41 123.457   8.832   8.832
  282   1HG   PRO  41          2HG       PRO  41 123.501  10.769  10.769
  283   2HG   PRO  41          1HG       PRO  41 124.301   9.197   9.197
  284   1HD   PRO  41          2HD       PRO  41 122.017   9.598   9.598
  285   2HD   PRO  41          1HD       PRO  41 122.462   8.044   8.044
  286    H    ASN  42           H        ASN  42 120.852  10.991  10.991
  287    HA   ASN  42           HA       ASN  42 120.501  13.630  13.630
  288   1HB   ASN  42          2HB       ASN  42 118.413  11.985  11.985
  289   2HB   ASN  42          1HB       ASN  42 118.516  12.788  12.788
  290   1HD2  ASN  42          1HD2      ASN  42 116.309  13.693  13.693
  291   2HD2  ASN  42          2HD2      ASN  42 116.363  15.112  15.112
  292    H    SER  43           H        SER  43 120.117  15.354  15.354
  293    HA   SER  43           HA       SER  43 122.306  15.073  15.073
  294   1HB   SER  43          2HB       SER  43 120.963  17.118  17.118
  295   2HB   SER  43          1HB       SER  43 120.457  17.315  17.315
  296    HG   SER  43           HG       SER  43 122.333  18.307  18.307
  297    H    TYR  44           H        TYR  44 120.531  13.055  13.055
  298    HA   TYR  44           HA       TYR  44 119.241  14.038  14.038
  299   1HB   TYR  44          2HB       TYR  44 118.119  12.837  12.837
  300   2HB   TYR  44          1HB       TYR  44 118.023  11.643  11.643
  301    HD1  TYR  44           HD2      TYR  44 117.508  12.995  12.995
  302    HD2  TYR  44           HD1      TYR  44 116.149  14.054  14.054
  303    HE1  TYR  44           HE2      TYR  44 115.595  14.224  14.224
  304    HE2  TYR  44           HE1      TYR  44 114.236  15.282  15.282
  305    HH   TYR  44           HH       TYR  44 113.916  16.454  16.454
  306    H    GLY  45           H        GLY  45 121.650  12.089  12.089
  307   1HA   GLY  45          2HA       GLY  45 122.928  10.322  10.322
  308   2HA   GLY  45          1HA       GLY  45 122.459  10.927  10.927
  309    H    ARG  46           H        ARG  46 119.965   9.961   9.961
  310    HA   ARG  46           HA       ARG  46 119.659   7.332   7.332
  311   1HB   ARG  46          2HB       ARG  46 117.674   9.597   9.597
  312   2HB   ARG  46          1HB       ARG  46 117.189   7.966   7.966
  313   1HG   ARG  46          2HG       ARG  46 118.040   8.165   8.165
  314   2HG   ARG  46          1HG       ARG  46 119.429   9.106   9.106
  315   1HD   ARG  46          2HD       ARG  46 118.382  10.951  10.951
  316   2HD   ARG  46          1HD       ARG  46 117.171  10.746  10.746
  317    HE   ARG  46           HE       ARG  46 116.400   8.897   8.897
  318   1HH1  ARG  46          2HH1      ARG  46 114.650  11.205  11.205
  319   2HH1  ARG  46          1HH1      ARG  46 114.645  12.040  12.040
  320   1HH2  ARG  46          1HH2      ARG  46 117.470  10.426  10.426
  321   2HH2  ARG  46          2HH2      ARG  46 116.245  11.603  11.603
  322    H    ARG  47           H        ARG  47 119.925   5.987   5.987
  323    HA   ARG  47           HA       ARG  47 119.225   6.571   6.571
  324   1HB   ARG  47          2HB       ARG  47 120.139   4.366   4.366
  325   2HB   ARG  47          1HB       ARG  47 118.949   3.790   3.790
  326   1HG   ARG  47          2HG       ARG  47 121.160   3.675   3.675
  327   2HG   ARG  47          1HG       ARG  47 120.228   4.939   4.939
  328   1HD   ARG  47          2HD       ARG  47 121.952   6.346   6.346
  329   2HD   ARG  47          1HD       ARG  47 121.494   6.227   6.227
  330    HE   ARG  47           HE       ARG  47 122.919   3.960   3.960
  331   1HH1  ARG  47          1HH2      ARG  47 124.184   4.861   4.861
  332   2HH1  ARG  47          2HH2      ARG  47 125.606   5.679   5.679
  333   1HH2  ARG  47          2HH1      ARG  47 124.454   6.004   6.004
  334   2HH2  ARG  47          1HH1      ARG  47 125.756   6.332   6.332
  335    HA   PRO  48           HA       PRO  48 114.901   5.873   5.873
  336   1HB   PRO  48          2HB       PRO  48 114.501   3.715   3.715
  337   2HB   PRO  48          1HB       PRO  48 115.040   5.304   5.304
  338   1HG   PRO  48          2HG       PRO  48 116.647   2.862   2.862
  339   2HG   PRO  48          1HG       PRO  48 116.774   3.992   3.992
  340   1HD   PRO  48          2HD       PRO  48 118.459   4.071   4.071
  341   2HD   PRO  48          1HD       PRO  48 117.964   5.543   5.543
  342    H    ILE  49           H        ILE  49 113.048   4.183   4.183
  343    HA   ILE  49           HA       ILE  49 111.960   2.638   2.638
  344    HB   ILE  49           HB       ILE  49 114.737   1.414   1.414
  345   1HG1  ILE  49          2HG1      ILE  49 112.242   1.169   1.169
  346   2HG1  ILE  49          1HG1      ILE  49 113.913   1.348   1.348
  347   1HG2  ILE  49          3HG2      ILE  49 113.256   0.714   0.714
  348   2HG2  ILE  49          2HG2      ILE  49 112.112   0.099   0.099
  349   3HG2  ILE  49          1HG2      ILE  49 113.726  -0.597  -0.597
  350   1HD1  ILE  49          2HD1      ILE  49 114.238  -0.968  -0.968
  351   2HD1  ILE  49          1HD1      ILE  49 112.495  -1.102  -1.102
  352   3HD1  ILE  49          3HD1      ILE  49 113.550  -0.920  -0.920
  353    H    GLN  50           H        GLN  50 115.257   2.898   2.898
  354    HA   GLN  50           HA       GLN  50 114.655   2.805   2.805
  355   1HB   GLN  50          2HB       GLN  50 116.889   3.060   3.060
  356   2HB   GLN  50          1HB       GLN  50 116.539   4.780   4.780
  357   1HG   GLN  50          2HG       GLN  50 116.358   4.997   4.997
  358   2HG   GLN  50          1HG       GLN  50 116.667   3.268   3.268
  359   1HE2  GLN  50          1HE2      GLN  50 118.802   2.861   2.861
  360   2HE2  GLN  50          2HE2      GLN  50 120.135   3.767   3.767
  361    H    VAL  51           H        VAL  51 113.958   5.379   5.379
  362    HA   VAL  51           HA       VAL  51 112.677   6.960   6.960
  363    HB   VAL  51           HB       VAL  51 114.714   7.996   7.996
  364   1HG1  VAL  51          2HG1      VAL  51 113.296   7.492   7.492
  365   2HG1  VAL  51          1HG1      VAL  51 114.555   8.718   8.718
  366   3HG1  VAL  51          3HG1      VAL  51 114.929   7.028   7.028
  367   1HG2  VAL  51          2HG2      VAL  51 112.339   9.240   9.240
  368   2HG2  VAL  51          1HG2      VAL  51 113.800  10.094  10.094
  369   3HG2  VAL  51          3HG2      VAL  51 112.611   9.603   9.603
  370    H    MET  52           H        MET  52 111.391   4.834   4.834
  371    HA   MET  52           HA       MET  52 109.729   6.338   6.338
  372   1HB   MET  52          2HB       MET  52 108.891   4.081   4.081
  373   2HB   MET  52          1HB       MET  52 110.651   4.130   4.130
  374   1HG   MET  52          2HG       MET  52 110.753   2.521   2.521
  375   2HG   MET  52          1HG       MET  52 109.784   3.492   3.492
  376   1HE   MET  52          3HE       MET  52 110.280   0.561   0.561
  377   2HE   MET  52          2HE       MET  52 108.916   0.465   0.465
  378   3HE   MET  52          1HE       MET  52 108.866  -0.416  -0.416
  379    H    MET  53           H        MET  53 109.405   7.025   7.025
  380    HA   MET  53           HA       MET  53 107.576   7.544   7.544
  381   1HB   MET  53          2HB       MET  53 106.487   7.297   7.297
  382   2HB   MET  53          1HB       MET  53 105.747   5.881   5.881
  383   1HG   MET  53          2HG       MET  53 105.701   8.463   8.463
  384   2HG   MET  53          1HG       MET  53 104.590   8.267   8.267
  385   1HE   MET  53          1HE       MET  53 103.287   6.547   6.547
  386   2HE   MET  53          3HE       MET  53 103.440   4.964   4.964
  387   3HE   MET  53          2HE       MET  53 102.081   6.014   6.014
  388    H    MET  54           H        MET  54 108.477   4.330   4.330
  389    HA   MET  54           HA       MET  54 108.250   2.266   2.266
  390   1HB   MET  54          2HB       MET  54 108.607   4.482   4.482
  391   2HB   MET  54          1HB       MET  54 108.132   2.924   2.924
  392   1HG   MET  54          2HG       MET  54 110.625   3.240   3.240
  393   2HG   MET  54          1HG       MET  54 110.032   1.824   1.824
  394   1HE   MET  54          3HE       MET  54 110.545   1.174   1.174
  395   2HE   MET  54          2HE       MET  54 111.069   1.969   1.969
  396   3HE   MET  54          1HE       MET  54 112.223   1.697   1.697
  397    H    GLY  55           H        GLY  55 105.750   3.735   3.735
  398   1HA   GLY  55          2HA       GLY  55 103.859   2.262   2.262
  399   2HA   GLY  55          1HA       GLY  55 103.507   3.920   3.920
  400    H    SER  56           H        SER  56 105.195   2.152   2.152
  401    HA   SER  56           HA       SER  56 102.765   1.131   1.131
  402   1HB   SER  56          2HB       SER  56 104.227   3.620   3.620
  403   2HB   SER  56          1HB       SER  56 103.941   2.584   2.584
  404    HG   SER  56           HG       SER  56 102.141   3.909   3.909
  405    H    ALA  57           H        ALA  57 104.011  -0.884  -0.884
  406    HA   ALA  57           HA       ALA  57 106.623  -1.482  -1.482
  407   1HB   ALA  57          3HB       ALA  57 105.069  -2.972  -2.972
  408   2HB   ALA  57          2HB       ALA  57 104.103  -3.161  -3.161
  409   3HB   ALA  57          1HB       ALA  57 105.749  -3.792  -3.792
  410    H    ARG  58           H        ARG  58 103.802  -0.891  -0.891
  411    HA   ARG  58           HA       ARG  58 104.488  -2.153  -2.153
  412   1HB   ARG  58          2HB       ARG  58 102.962   0.245   0.245
  413   2HB   ARG  58          1HB       ARG  58 103.349   0.150   0.150
  414   1HG   ARG  58          2HG       ARG  58 101.774  -1.421  -1.421
  415   2HG   ARG  58          1HG       ARG  58 102.444  -2.427  -2.427
  416   1HD   ARG  58          2HD       ARG  58 101.197  -1.071  -1.071
  417   2HD   ARG  58          1HD       ARG  58 100.477  -0.126  -0.126
  418    HE   ARG  58           HE       ARG  58  99.791  -2.883  -2.883
  419   1HH1  ARG  58          2HH1      ARG  58  99.973  -0.517  -0.517
  420   2HH1  ARG  58          1HH1      ARG  58  98.719  -1.253  -1.253
  421   1HH2  ARG  58          1HH2      ARG  58  98.147  -3.816  -3.816
  422   2HH2  ARG  58          2HH2      ARG  58  97.682  -3.111  -3.111
  423    H    VAL  59           H        VAL  59 105.603   0.997   0.997
  424    HA   VAL  59           HA       VAL  59 107.058   1.904   1.904
  425    HB   VAL  59           HB       VAL  59 107.390   2.176   2.176
  426   1HG1  VAL  59          1HG1      VAL  59 109.240   2.989   2.989
  427   2HG1  VAL  59          3HG1      VAL  59 108.846   4.245   4.245
  428   3HG1  VAL  59          2HG1      VAL  59 109.561   2.729   2.729
  429   1HG2  VAL  59          3HG2      VAL  59 105.983   3.566   3.566
  430   2HG2  VAL  59          2HG2      VAL  59 105.677   3.600   3.600
  431   3HG2  VAL  59          1HG2      VAL  59 106.910   4.649   4.649
  432    H    ALA  60           H        ALA  60 108.383   0.119   0.119
  433    HA   ALA  60           HA       ALA  60 110.966  -0.382  -0.382
  434   1HB   ALA  60          2HB       ALA  60 109.028  -1.529  -1.529
  435   2HB   ALA  60          1HB       ALA  60 110.088  -2.773  -2.773
  436   3HB   ALA  60          3HB       ALA  60 110.777  -1.383  -1.383
  437    H    GLU  61           H        GLU  61 108.111  -2.478  -2.478
  438    HA   GLU  61           HA       GLU  61 109.217  -4.446  -4.446
  439   1HB   GLU  61          2HB       GLU  61 106.722  -3.609  -3.609
  440   2HB   GLU  61          1HB       GLU  61 106.714  -3.198  -3.198
  441   1HG   GLU  61          2HG       GLU  61 106.289  -5.359  -5.359
  442   2HG   GLU  61          1HG       GLU  61 107.893  -5.755  -5.755
  443    H    LEU  62           H        LEU  62 108.258  -1.155  -1.155
  444    HA   LEU  62           HA       LEU  62 109.001  -1.478  -1.478
  445   1HB   LEU  62          2HB       LEU  62 107.402   0.147   0.147
  446   2HB   LEU  62          1HB       LEU  62 108.070   0.614   0.614
  447    HG   LEU  62           HG       LEU  62 109.979   1.677   1.677
  448   1HD1  LEU  62          2HD1      LEU  62 108.699   0.354   0.354
  449   2HD1  LEU  62          1HD1      LEU  62 108.840   2.085   2.085
  450   3HD1  LEU  62          3HD1      LEU  62 110.279   1.136   1.136
  451   1HD2  LEU  62          1HD2      LEU  62 107.152   2.579   2.579
  452   2HD2  LEU  62          3HD2      LEU  62 108.226   3.119   3.119
  453   3HD2  LEU  62          2HD2      LEU  62 108.557   3.574   3.574
  454    H    LEU  63           H        LEU  63 110.436   0.577   0.577
  455    HA   LEU  63           HA       LEU  63 112.854   1.132   1.132
  456   1HB   LEU  63          2HB       LEU  63 111.795   1.369   1.369
  457   2HB   LEU  63          1HB       LEU  63 113.536   1.542   1.542
  458    HG   LEU  63           HG       LEU  63 111.680   3.034   3.034
  459   1HD1  LEU  63          2HD1      LEU  63 111.375   3.267   3.267
  460   2HD1  LEU  63          1HD1      LEU  63 112.597   4.495   4.495
  461   3HD1  LEU  63          3HD1      LEU  63 111.044   4.559   4.559
  462   1HD2  LEU  63          3HD2      LEU  63 114.490   2.874   2.874
  463   2HD2  LEU  63          2HD2      LEU  63 113.645   3.924   3.924
  464   3HD2  LEU  63          1HD2      LEU  63 113.971   4.481   4.481
  465    H    LEU  64           H        LEU  64 112.357  -1.068  -1.068
  466    HA   LEU  64           HA       LEU  64 114.878  -2.208  -2.208
  467   1HB   LEU  64          2HB       LEU  64 112.450  -2.601  -2.601
  468   2HB   LEU  64          1HB       LEU  64 112.538  -4.049  -4.049
  469    HG   LEU  64           HG       LEU  64 114.960  -3.368  -3.368
  470   1HD1  LEU  64          2HD1      LEU  64 112.834  -3.020  -3.020
  471   2HD1  LEU  64          1HD1      LEU  64 112.645  -4.769  -4.769
  472   3HD1  LEU  64          3HD1      LEU  64 114.092  -4.088  -4.088
  473   1HD2  LEU  64          1HD2      LEU  64 114.561  -5.386  -5.386
  474   2HD2  LEU  64          3HD2      LEU  64 115.214  -5.732  -5.732
  475   3HD2  LEU  64          2HD2      LEU  64 113.503  -6.000  -6.000
  476    H    LEU  65           H        LEU  65 112.268  -3.763  -3.763
  477    HA   LEU  65           HA       LEU  65 113.968  -5.645  -5.645
  478   1HB   LEU  65          2HB       LEU  65 112.063  -6.185  -6.185
  479   2HB   LEU  65          1HB       LEU  65 111.320  -5.187  -5.187
  480    HG   LEU  65           HG       LEU  65 111.803  -3.217  -3.217
  481   1HD1  LEU  65          1HD1      LEU  65 112.291  -5.680  -5.680
  482   2HD1  LEU  65          3HD1      LEU  65 111.337  -4.413  -4.413
  483   3HD1  LEU  65          2HD1      LEU  65 112.965  -4.061  -4.061
  484   1HD2  LEU  65          2HD2      LEU  65 109.595  -4.923  -4.923
  485   2HD2  LEU  65          1HD2      LEU  65 109.555  -3.296  -3.296
  486   3HD2  LEU  65          3HD2      LEU  65 109.658  -4.696  -4.696
  487    H    HIS  66           H        HIS  66 113.548  -2.234  -2.234
  488    HA   HIS  66           HA       HIS  66 114.708  -2.255  -2.255
  489   1HB   HIS  66          2HB       HIS  66 113.451  -0.460  -0.460
  490   2HB   HIS  66          1HB       HIS  66 114.737   0.296   0.296
  491    HD1  HIS  66           HD1      HIS  66 111.259  -0.830  -0.830
  492    HD2  HIS  66           HD2      HIS  66 114.333   0.102   0.102
  493    HE1  HIS  66           HE1      HIS  66 110.183  -0.566  -0.566
  494    H    GLY  67           H        GLY  67 115.783  -1.489  -1.489
  495   1HA   GLY  67          2HA       GLY  67 118.299  -2.286  -2.286
  496   2HA   GLY  67          1HA       GLY  67 118.488  -0.944  -0.944
  497    H    ALA  68           H        ALA  68 116.440  -1.223  -1.223
  498    HA   ALA  68           HA       ALA  68 117.212   1.452   1.452
  499   1HB   ALA  68          3HB       ALA  68 114.991   0.337   0.337
  500   2HB   ALA  68          2HB       ALA  68 115.769  -0.784  -0.784
  501   3HB   ALA  68          1HB       ALA  68 115.696   0.935   0.935
  502    H    GLU  69           H        GLU  69 117.380   0.759   0.759
  503    HA   GLU  69           HA       GLU  69 120.151  -0.386  -0.386
  504   1HB   GLU  69          2HB       GLU  69 120.639   1.190   1.190
  505   2HB   GLU  69          1HB       GLU  69 119.805   2.084   2.084
  506   1HG   GLU  69          2HG       GLU  69 118.243   2.717   2.717
  507   2HG   GLU  69          1HG       GLU  69 117.801   1.028   1.028
  508    HA   PRO  70           HA       PRO  70 117.141  -2.810  -2.810
  509   1HB   PRO  70          2HB       PRO  70 117.332  -5.212  -5.212
  510   2HB   PRO  70          1HB       PRO  70 116.088  -3.999  -3.999
  511   1HG   PRO  70          2HG       PRO  70 118.659  -4.548  -4.548
  512   2HG   PRO  70          1HG       PRO  70 117.058  -4.199  -4.199
  513   1HD   PRO  70          2HD       PRO  70 118.995  -2.327  -2.327
  514   2HD   PRO  70          1HD       PRO  70 117.271  -1.925  -1.925
  515    H    ASN  71           H        ASN  71 120.329  -3.045  -3.045
  516    HA   ASN  71           HA       ASN  71 121.169  -4.945  -4.945
  517   1HB   ASN  71          2HB       ASN  71 122.027  -4.262  -4.262
  518   2HB   ASN  71          1HB       ASN  71 123.318  -4.660  -4.660
  519   1HD2  ASN  71          1HD2      ASN  71 123.696  -6.725  -6.725
  520   2HD2  ASN  71          2HD2      ASN  71 122.620  -8.024  -8.024
  521    H    CYS  72           H        CYS  72 122.851  -2.311  -2.311
  522    HA   CYS  72           HA       CYS  72 124.534  -1.492  -1.492
  523   1HB   CYS  72          2HB       CYS  72 123.791  -0.670  -0.670
  524   2HB   CYS  72          1HB       CYS  72 123.529   0.747   0.747
  525    HG   CYS  72           HG       CYS  72 125.995   0.857   0.857
  526    H    ALA  73           H        ALA  73 124.338   0.724   0.724
  527    HA   ALA  73           HA       ALA  73 121.548   1.372   1.372
  528   1HB   ALA  73          1HB       ALA  73 122.595  -0.496  -0.496
  529   2HB   ALA  73          3HB       ALA  73 123.742   0.714   0.714
  530   3HB   ALA  73          2HB       ALA  73 122.021   0.904   0.904
  531    H    ASP  74           H        ASP  74 122.519   2.901   2.901
  532    HA   ASP  74           HA       ASP  74 123.655   5.235   5.235
  533   1HB   ASP  74          2HB       ASP  74 121.770   4.722   4.722
  534   2HB   ASP  74          1HB       ASP  74 122.974   5.918   5.918
  535    HA   PRO  75           HA       PRO  75 127.556   4.290   4.290
  536   1HB   PRO  75          2HB       PRO  75 128.817   6.666   6.666
  537   2HB   PRO  75          1HB       PRO  75 128.578   5.397   5.397
  538   1HG   PRO  75          2HG       PRO  75 126.998   7.886   7.886
  539   2HG   PRO  75          1HG       PRO  75 127.528   7.164   7.164
  540   1HD   PRO  75          2HD       PRO  75 125.007   6.890   6.890
  541   2HD   PRO  75          1HD       PRO  75 125.818   5.613   5.613
  542    H    ALA  76           H        ALA  76 125.659   7.172   7.172
  543    HA   ALA  76           HA       ALA  76 127.050   8.266   8.266
  544   1HB   ALA  76          3HB       ALA  76 124.585   8.536   8.536
  545   2HB   ALA  76          2HB       ALA  76 124.151   8.084   8.084
  546   3HB   ALA  76          1HB       ALA  76 125.152   9.507   9.507
  547    H    THR  77           H        THR  77 124.288   5.992   5.992
  548    HA   THR  77           HA       THR  77 125.706   4.757   4.757
  549    HB   THR  77           HB       THR  77 123.622   4.776   4.776
  550    HG1  THR  77           HG1      THR  77 121.734   5.548   5.548
  551   1HG2  THR  77          1HG2      THR  77 124.961   6.957   6.957
  552   2HG2  THR  77          3HG2      THR  77 123.695   7.471   7.471
  553   3HG2  THR  77          2HG2      THR  77 123.294   7.102   7.102
  554    H    LEU  78           H        LEU  78 125.594   3.842   3.842
  555    HA   LEU  78           HA       LEU  78 124.983   1.966   1.966
  556   1HB   LEU  78          2HB       LEU  78 125.773   1.247   1.247
  557   2HB   LEU  78          1HB       LEU  78 124.807  -0.006  -0.006
  558    HG   LEU  78           HG       LEU  78 127.397   1.203   1.203
  559   1HD1  LEU  78          3HD1      LEU  78 127.241  -0.754  -0.754
  560   2HD1  LEU  78          2HD1      LEU  78 126.724  -1.713  -1.713
  561   3HD1  LEU  78          1HD1      LEU  78 128.307  -0.935  -0.935
  562   1HD2  LEU  78          2HD2      LEU  78 125.196  -0.182  -0.182
  563   2HD2  LEU  78          1HD2      LEU  78 126.408   0.944   0.944
  564   3HD2  LEU  78          3HD2      LEU  78 126.830  -0.749  -0.749
  565    H    THR  79           H        THR  79 122.687   3.537   3.537
  566    HA   THR  79           HA       THR  79 120.593   1.845   1.845
  567    HB   THR  79           HB       THR  79 120.086   4.163   4.163
  568    HG1  THR  79           HG1      THR  79 121.598   5.181   5.181
  569   1HG2  THR  79          2HG2      THR  79 118.341   2.853   2.853
  570   2HG2  THR  79          1HG2      THR  79 119.040   3.630   3.630
  571   3HG2  THR  79          3HG2      THR  79 118.314   4.611   4.611
  572    H    ARG  80           H        ARG  80 120.369  -0.081  -0.081
  573    HA   ARG  80           HA       ARG  80 120.344  -0.101  -0.101
  574   1HB   ARG  80          2HB       ARG  80 120.353  -1.929  -1.929
  575   2HB   ARG  80          1HB       ARG  80 119.114  -2.415  -2.415
  576   1HG   ARG  80          2HG       ARG  80 121.150  -1.821  -1.821
  577   2HG   ARG  80          1HG       ARG  80 122.064  -2.378  -2.378
  578   1HD   ARG  80          2HD       ARG  80 120.453  -4.403  -4.403
  579   2HD   ARG  80          1HD       ARG  80 120.012  -3.898  -3.898
  580    HE   ARG  80           HE       ARG  80 122.887  -4.278  -4.278
  581   1HH1  ARG  80          2HH1      ARG  80 120.095  -5.595  -5.595
  582   2HH1  ARG  80          1HH1      ARG  80 120.969  -6.274  -6.274
  583   1HH2  ARG  80          1HH2      ARG  80 124.008  -4.907  -4.907
  584   2HH2  ARG  80          2HH2      ARG  80 123.171  -5.873  -5.873
  585    HA   PRO  81           HA       PRO  81 116.061   0.694   0.694
  586   1HB   PRO  81          2HB       PRO  81 115.373  -1.181  -1.181
  587   2HB   PRO  81          1HB       PRO  81 116.389   0.228   0.228
  588   1HG   PRO  81          2HG       PRO  81 117.202  -2.585  -2.585
  589   2HG   PRO  81          1HG       PRO  81 117.803  -1.474  -1.474
  590   1HD   PRO  81          2HD       PRO  81 119.148  -1.942  -1.942
  591   2HD   PRO  81          1HD       PRO  81 119.180  -0.360  -0.360
  592    H    VAL  82           H        VAL  82 117.097  -2.506  -2.506
  593    HA   VAL  82           HA       VAL  82 114.661  -3.871  -3.871
  594    HB   VAL  82           HB       VAL  82 117.237  -3.883  -3.883
  595   1HG1  VAL  82          2HG1      VAL  82 114.905  -5.175  -5.175
  596   2HG1  VAL  82          1HG1      VAL  82 115.707  -6.376  -6.376
  597   3HG1  VAL  82          3HG1      VAL  82 116.510  -5.764  -5.764
  598   1HG2  VAL  82          2HG2      VAL  82 116.401  -5.387  -5.387
  599   2HG2  VAL  82          1HG2      VAL  82 117.716  -4.220  -4.220
  600   3HG2  VAL  82          3HG2      VAL  82 117.829  -5.778  -5.778
  601    H    HIS  83           H        HIS  83 116.218  -1.337  -1.337
  602    HA   HIS  83           HA       HIS  83 114.589  -1.673  -1.673
  603   1HB   HIS  83          2HB       HIS  83 116.193   0.671   0.671
  604   2HB   HIS  83          1HB       HIS  83 115.597   0.528   0.528
  605    HD2  HIS  83           HD2      HIS  83 117.642  -0.441  -0.441
  606    HE1  HIS  83           HE1      HIS  83 119.475  -2.974  -2.974
  607    HE2  HIS  83           HE2      HIS  83 119.563  -2.106  -2.106
  608    H    ASP  84           H        ASP  84 114.623   0.639   0.639
  609    HA   ASP  84           HA       ASP  84 112.452   2.277   2.277
  610   1HB   ASP  84          2HB       ASP  84 113.768   1.099   1.099
  611   2HB   ASP  84          1HB       ASP  84 112.201   1.849   1.849
  612    H    ALA  85           H        ALA  85 112.318  -0.993  -0.993
  613    HA   ALA  85           HA       ALA  85 109.475  -1.053  -1.053
  614   1HB   ALA  85          1HB       ALA  85 111.117  -2.562  -2.562
  615   2HB   ALA  85          3HB       ALA  85 111.495  -3.263  -3.263
  616   3HB   ALA  85          2HB       ALA  85 109.894  -3.490  -3.490
  617    H    ALA  86           H        ALA  86 111.299  -2.931  -2.931
  618    HA   ALA  86           HA       ALA  86 109.145  -3.577  -3.577
  619   1HB   ALA  86          1HB       ALA  86 111.878  -3.960  -3.960
  620   2HB   ALA  86          3HB       ALA  86 111.690  -2.990  -2.990
  621   3HB   ALA  86          2HB       ALA  86 110.832  -4.523  -4.523
  622    H    ARG  87           H        ARG  87 111.330  -0.737  -0.737
  623    HA   ARG  87           HA       ARG  87 110.415   0.451   0.451
  624   1HB   ARG  87          2HB       ARG  87 112.184   1.128   1.128
  625   2HB   ARG  87          1HB       ARG  87 110.864   2.094   2.094
  626   1HG   ARG  87          2HG       ARG  87 111.016   2.421   2.421
  627   2HG   ARG  87          1HG       ARG  87 112.579   2.774   2.774
  628   1HD   ARG  87          2HD       ARG  87 111.806   4.737   4.737
  629   2HD   ARG  87          1HD       ARG  87 110.407   3.931   3.931
  630    HE   ARG  87           HE       ARG  87 109.923   3.966   3.966
  631   1HH1  ARG  87          1HH2      ARG  87 111.384   6.661   6.661
  632   2HH1  ARG  87          2HH2      ARG  87 110.001   7.702   7.702
  633   1HH2  ARG  87          2HH1      ARG  87 107.710   5.100   5.100
  634   2HH2  ARG  87          1HH1      ARG  87 107.918   6.817   6.817
  635    H    GLU  88           H        GLU  88 108.815   0.405   0.405
  636    HA   GLU  88           HA       GLU  88 106.606   2.100   2.100
  637   1HB   GLU  88          2HB       GLU  88 107.865   1.546   1.546
  638   2HB   GLU  88          1HB       GLU  88 106.114   1.357   1.357
  639   1HG   GLU  88          2HG       GLU  88 107.570   3.789   3.789
  640   2HG   GLU  88          1HG       GLU  88 106.754   3.683   3.683
  641    H    GLY  89           H        GLY  89 107.411  -1.195  -1.195
  642   1HA   GLY  89          2HA       GLY  89 106.107  -3.068  -3.068
  643   2HA   GLY  89          1HA       GLY  89 104.703  -2.011  -2.011
  644    H    PHE  90           H        PHE  90 106.791  -2.181  -2.181
  645    HA   PHE  90           HA       PHE  90 104.424  -3.110  -3.110
  646   1HB   PHE  90          2HB       PHE  90 106.186  -0.983  -0.983
  647   2HB   PHE  90          1HB       PHE  90 106.787  -2.149  -2.149
  648    HD1  PHE  90           HD2      PHE  90 105.026  -3.264  -3.264
  649    HD2  PHE  90           HD1      PHE  90 104.316   0.348   0.348
  650    HE1  PHE  90           HE2      PHE  90 103.152  -2.703  -2.703
  651    HE2  PHE  90           HE1      PHE  90 102.443   0.910   0.910
  652    HZ   PHE  90           HZ       PHE  90 101.866  -0.615  -0.615
  653    H    LEU  91           H        LEU  91 104.678  -5.398  -5.398
  654    HA   LEU  91           HA       LEU  91 107.173  -6.795  -6.795
  655   1HB   LEU  91          2HB       LEU  91 104.541  -7.328  -7.328
  656   2HB   LEU  91          1HB       LEU  91 104.777  -8.326  -8.326
  657    HG   LEU  91           HG       LEU  91 106.757  -8.219  -8.219
  658   1HD1  LEU  91          1HD1      LEU  91 104.371  -9.125  -9.125
  659   2HD1  LEU  91          3HD1      LEU  91 104.846 -10.481 -10.481
  660   3HD1  LEU  91          2HD1      LEU  91 105.758 -10.118 -10.118
  661   1HD2  LEU  91          1HD2      LEU  91 107.220  -9.031  -9.031
  662   2HD2  LEU  91          3HD2      LEU  91 107.902  -9.885  -9.885
  663   3HD2  LEU  91          2HD2      LEU  91 106.448 -10.500 -10.500
  664    H    ASP  92           H        ASP  92 104.589  -5.825  -5.825
  665    HA   ASP  92           HA       ASP  92 105.135  -7.409  -7.409
  666   1HB   ASP  92          2HB       ASP  92 104.403  -4.471  -4.471
  667   2HB   ASP  92          1HB       ASP  92 104.196  -5.459  -5.459
  668    H    THR  93           H        THR  93 106.604  -4.263  -4.263
  669    HA   THR  93           HA       THR  93 108.435  -4.067  -4.067
  670    HB   THR  93           HB       THR  93 108.512  -3.147  -3.147
  671    HG1  THR  93           HG1      THR  93 106.888  -2.420  -2.420
  672   1HG2  THR  93          1HG2      THR  93 110.291  -2.379  -2.379
  673   2HG2  THR  93          3HG2      THR  93 110.196  -1.473  -1.473
  674   3HG2  THR  93          2HG2      THR  93 110.796  -3.131  -3.131
  675    H    LEU  94           H        LEU  94 108.642  -5.789  -5.789
  676    HA   LEU  94           HA       LEU  94 111.393  -6.543  -6.543
  677   1HB   LEU  94          2HB       LEU  94 108.988  -7.097  -7.097
  678   2HB   LEU  94          1HB       LEU  94 109.817  -8.617  -8.617
  679    HG   LEU  94           HG       LEU  94 111.917  -7.644  -7.644
  680   1HD1  LEU  94          1HD1      LEU  94 111.002  -5.238  -5.238
  681   2HD1  LEU  94          3HD1      LEU  94 110.308  -5.341  -5.341
  682   3HD1  LEU  94          2HD1      LEU  94 112.052  -5.469  -5.469
  683   1HD2  LEU  94          2HD2      LEU  94 109.419  -7.981  -7.981
  684   2HD2  LEU  94          1HD2      LEU  94 110.981  -8.775  -8.775
  685   3HD2  LEU  94          3HD2      LEU  94 110.729  -7.155  -7.155
  686    H    VAL  95           H        VAL  95 108.478  -8.161  -8.161
  687    HA   VAL  95           HA       VAL  95 109.732 -10.515 -10.515
  688    HB   VAL  95           HB       VAL  95 107.389  -8.997  -8.997
  689   1HG1  VAL  95          1HG1      VAL  95 108.082 -11.947 -11.947
  690   2HG1  VAL  95          3HG1      VAL  95 106.598 -11.293 -11.293
  691   3HG1  VAL  95          2HG1      VAL  95 108.152 -10.948 -10.948
  692   1HG2  VAL  95          3HG2      VAL  95 107.681 -10.506 -10.506
  693   2HG2  VAL  95          2HG2      VAL  95 106.682  -9.098  -9.098
  694   3HG2  VAL  95          1HG2      VAL  95 106.178 -10.699 -10.699
  695    H    VAL  96           H        VAL  96 108.961  -7.428  -7.428
  696    HA   VAL  96           HA       VAL  96 110.078  -8.022  -8.022
  697    HB   VAL  96           HB       VAL  96 110.202  -5.355  -5.355
  698   1HG1  VAL  96          2HG1      VAL  96 111.295  -5.654  -5.654
  699   2HG1  VAL  96          1HG1      VAL  96 109.685  -5.977  -5.977
  700   3HG1  VAL  96          3HG1      VAL  96 110.048  -4.408  -4.408
  701   1HG2  VAL  96          3HG2      VAL  96 107.877  -6.875  -6.875
  702   2HG2  VAL  96          2HG2      VAL  96 107.956  -5.943  -5.943
  703   3HG2  VAL  96          1HG2      VAL  96 107.892  -5.112  -5.112
  704    H    LEU  97           H        LEU  97 111.615  -6.582  -6.582
  705    HA   LEU  97           HA       LEU  97 114.208  -6.141  -6.141
  706   1HB   LEU  97          2HB       LEU  97 112.845  -6.473  -6.473
  707   2HB   LEU  97          1HB       LEU  97 114.533  -6.984  -6.984
  708    HG   LEU  97           HG       LEU  97 114.794  -4.684  -4.684
  709   1HD1  LEU  97          1HD1      LEU  97 112.333  -4.255  -4.255
  710   2HD1  LEU  97          3HD1      LEU  97 112.556  -4.162  -4.162
  711   3HD1  LEU  97          2HD1      LEU  97 113.334  -2.980  -2.980
  712   1HD2  LEU  97          2HD2      LEU  97 115.647  -5.620  -5.620
  713   2HD2  LEU  97          1HD2      LEU  97 115.927  -3.960  -3.960
  714   3HD2  LEU  97          3HD2      LEU  97 114.587  -4.326  -4.326
  715    H    HIS  98           H        HIS  98 113.413  -8.922  -8.922
  716    HA   HIS  98           HA       HIS  98 115.675 -10.481 -10.481
  717   1HB   HIS  98          2HB       HIS  98 113.857 -10.633 -10.633
  718   2HB   HIS  98          1HB       HIS  98 112.998 -11.649 -11.649
  719    HD1  HIS  98           HD1      HIS  98 114.213 -12.775 -12.775
  720    HD2  HIS  98           HD2      HIS  98 116.096 -12.937 -12.937
  721    HE1  HIS  98           HE1      HIS  98 115.878 -14.680 -14.680
  722    H    ARG  99           H        ARG  99 112.685  -9.938  -9.938
  723    HA   ARG  99           HA       ARG  99 112.753 -12.304 -12.304
  724   1HB   ARG  99          2HB       ARG  99 110.699 -11.107 -11.107
  725   2HB   ARG  99          1HB       ARG  99 111.430  -9.587  -9.587
  726   1HG   ARG  99          2HG       ARG  99 111.492 -10.238 -10.238
  727   2HG   ARG  99          1HG       ARG  99 111.293 -11.945 -11.945
  728   1HD   ARG  99          2HD       ARG  99 109.079 -10.244 -10.244
  729   2HD   ARG  99          1HD       ARG  99 109.235 -10.306 -10.306
  730    HE   ARG  99           HE       ARG  99 108.555 -12.561 -12.561
  731   1HH1  ARG  99          2HH1      ARG  99 107.614 -11.923 -11.923
  732   2HH1  ARG  99          1HH1      ARG  99 108.336 -13.236 -13.236
  733   1HH2  ARG  99          1HH2      ARG  99 110.495 -14.098 -14.098
  734   2HH2  ARG  99          2HH2      ARG  99 109.961 -14.470 -14.470
  735    H    ALA 100           H        ALA 100 114.541  -9.353  -9.353
  736    HA   ALA 100           HA       ALA 100 115.763 -10.126 -10.126
  737   1HB   ALA 100          3HB       ALA 100 113.903  -8.004  -8.004
  738   2HB   ALA 100          2HB       ALA 100 115.473  -7.280  -7.280
  739   3HB   ALA 100          1HB       ALA 100 114.745  -8.403  -8.403
  740    H    GLY 101           H        GLY 101 117.391 -10.753 -10.753
  741   1HA   GLY 101          2HA       GLY 101 119.381 -10.341 -10.341
  742   2HA   GLY 101          1HA       GLY 101 119.604  -9.044  -9.044
  743    H    ALA 102           H        ALA 102 118.840  -9.794  -9.794
  744    HA   ALA 102           HA       ALA 102 119.019  -6.956  -6.956
  745   1HB   ALA 102          2HB       ALA 102 116.476  -8.573  -8.573
  746   2HB   ALA 102          1HB       ALA 102 116.747  -7.098  -7.098
  747   3HB   ALA 102          3HB       ALA 102 116.703  -7.036  -7.036
  748    H    ARG 103           H        ARG 103 120.863  -8.108  -8.108
  749    HA   ARG 103           HA       ARG 103 120.578 -10.133 -10.133
  750   1HB   ARG 103          2HB       ARG 103 122.748  -9.526  -9.526
  751   2HB   ARG 103          1HB       ARG 103 122.447  -7.808  -7.808
  752   1HG   ARG 103          2HG       ARG 103 122.299  -8.281  -8.281
  753   2HG   ARG 103          1HG       ARG 103 122.842  -9.923  -9.923
  754   1HD   ARG 103          2HD       ARG 103 124.983  -9.181  -9.181
  755   2HD   ARG 103          1HD       ARG 103 124.615  -8.134  -8.134
  756    HE   ARG 103           HE       ARG 103 123.514  -6.870  -6.870
  757   1HH1  ARG 103          1HH2      ARG 103 126.009  -7.944  -7.944
  758   2HH1  ARG 103          2HH2      ARG 103 127.135  -6.658  -6.658
  759   1HH2  ARG 103          2HH1      ARG 103 125.219  -5.164  -5.164
  760   2HH2  ARG 103          1HH1      ARG 103 126.689  -5.088  -5.088
  761    H    LEU 104           H        LEU 104 119.321 -10.069 -10.069
  762    HA   LEU 104           HA       LEU 104 118.633  -7.419  -7.419
  763   1HB   LEU 104          2HB       LEU 104 117.547 -10.120 -10.120
  764   2HB   LEU 104          1HB       LEU 104 116.767  -8.550  -8.550
  765    HG   LEU 104           HG       LEU 104 117.421  -9.906  -9.906
  766   1HD1  LEU 104          2HD1      LEU 104 115.075 -10.046 -10.046
  767   2HD1  LEU 104          1HD1      LEU 104 114.735  -9.905  -9.905
  768   3HD1  LEU 104          3HD1      LEU 104 115.700 -11.255 -11.255
  769   1HD2  LEU 104          1HD2      LEU 104 117.244  -7.370  -7.370
  770   2HD2  LEU 104          3HD2      LEU 104 116.100  -8.159  -8.159
  771   3HD2  LEU 104          2HD2      LEU 104 115.565  -7.586  -7.586
  772    H    ASP 105           H        ASP 105 121.210  -9.246  -9.246
  773    HA   ASP 105           HA       ASP 105 121.192  -9.498  -9.498
  774   1HB   ASP 105          2HB       ASP 105 121.786 -11.357 -11.357
  775   2HB   ASP 105          1HB       ASP 105 123.305 -10.482 -10.482
  776    H    VAL 106           H        VAL 106 121.412  -6.844  -6.844
  777    HA   VAL 106           HA       VAL 106 124.316  -6.203  -6.203
  778    HB   VAL 106           HB       VAL 106 122.596  -5.429  -5.429
  779   1HG1  VAL 106          1HG1      VAL 106 121.177  -4.437  -4.437
  780   2HG1  VAL 106          3HG1      VAL 106 122.303  -3.088  -3.088
  781   3HG1  VAL 106          2HG1      VAL 106 121.312  -3.563  -3.563
  782   1HG2  VAL 106          1HG2      VAL 106 125.057  -4.491  -4.491
  783   2HG2  VAL 106          3HG2      VAL 106 124.344  -4.141  -4.141
  784   3HG2  VAL 106          2HG2      VAL 106 124.064  -3.050  -3.050
  785    H    ARG 107           H        ARG 107 124.228  -3.679  -3.679
  786    HA   ARG 107           HA       ARG 107 122.638  -3.756  -3.756
  787   1HB   ARG 107          2HB       ARG 107 124.739  -3.229  -3.229
  788   2HB   ARG 107          1HB       ARG 107 124.820  -4.802  -4.802
  789   1HG   ARG 107          2HG       ARG 107 126.065  -3.806  -3.806
  790   2HG   ARG 107          1HG       ARG 107 125.963  -2.221  -2.221
  791   1HD   ARG 107          2HD       ARG 107 127.320  -2.948  -2.948
  792   2HD   ARG 107          1HD       ARG 107 127.272  -4.632  -4.632
  793    HE   ARG 107           HE       ARG 107 128.233  -3.075  -3.075
  794   1HH1  ARG 107          1HH2      ARG 107 129.186  -4.517  -4.517
  795   2HH1  ARG 107          2HH2      ARG 107 130.866  -4.158  -4.158
  796   1HH2  ARG 107          2HH1      ARG 107 130.404  -2.389  -2.389
  797   2HH2  ARG 107          1HH1      ARG 107 131.554  -2.967  -2.967
  798    H    ASP 108           H        ASP 108 122.018  -1.675  -1.675
  799    HA   ASP 108           HA       ASP 108 122.343   0.506   0.506
  800   1HB   ASP 108          2HB       ASP 108 120.428  -0.118  -0.118
  801   2HB   ASP 108          1HB       ASP 108 121.398   0.761   0.761
  802    H    ALA 109           H        ALA 109 124.925  -0.113  -0.113
  803    HA   ALA 109           HA       ALA 109 126.969   0.765   0.765
  804   1HB   ALA 109          1HB       ALA 109 125.013   3.040   3.040
  805   2HB   ALA 109          3HB       ALA 109 126.652   3.296   3.296
  806   3HB   ALA 109          2HB       ALA 109 126.391   2.777   2.777
  807    H    TRP 110           H        TRP 110 124.838   2.584   2.584
  808    HA   TRP 110           HA       TRP 110 126.356   2.415   2.415
  809   1HB   TRP 110          2HB       TRP 110 123.343   2.166   2.166
  810   2HB   TRP 110          1HB       TRP 110 124.220   2.747   2.747
  811    HD1  TRP 110           HD1      TRP 110 122.206   4.697   4.697
  812    HE1  TRP 110           HE1      TRP 110 122.859   6.884   6.884
  813    HE3  TRP 110           HE3      TRP 110 126.975   3.537   3.537
  814    HZ2  TRP 110           HZ2      TRP 110 125.090   8.001   8.001
  815    HZ3  TRP 110           HZ3      TRP 110 128.325   5.186   5.186
  816    HH2  TRP 110           HH2      TRP 110 127.397   7.415   7.415
  817    H    GLY 111           H        GLY 111 124.081  -0.027  -0.027
  818   1HA   GLY 111          2HA       GLY 111 125.119  -2.377  -2.377
  819   2HA   GLY 111          1HA       GLY 111 124.772  -1.819  -1.819
  820    H    ARG 112           H        ARG 112 122.354  -0.354  -0.354
  821    HA   ARG 112           HA       ARG 112 120.365  -2.289  -2.289
  822   1HB   ARG 112          2HB       ARG 112 120.500   0.451   0.451
  823   2HB   ARG 112          1HB       ARG 112 118.965  -0.418  -0.418
  824   1HG   ARG 112          2HG       ARG 112 119.191  -0.819  -0.819
  825   2HG   ARG 112          1HG       ARG 112 120.565   0.287   0.287
  826   1HD   ARG 112          2HD       ARG 112 118.885   1.910   1.910
  827   2HD   ARG 112          1HD       ARG 112 117.655   0.885   0.885
  828    HE   ARG 112           HE       ARG 112 119.540   1.416   1.416
  829   1HH1  ARG 112          1HH2      ARG 112 117.513   3.280   3.280
  830   2HH1  ARG 112          2HH2      ARG 112 117.287   4.556   4.556
  831   1HH2  ARG 112          2HH1      ARG 112 119.216   3.070   3.070
  832   2HH2  ARG 112          1HH1      ARG 112 118.248   4.440   4.440
  833    H    LEU 113           H        LEU 113 119.479  -3.868  -3.868
  834    HA   LEU 113           HA       LEU 113 120.216  -4.011  -4.011
  835   1HB   LEU 113          2HB       LEU 113 119.705  -5.805  -5.805
  836   2HB   LEU 113          1HB       LEU 113 118.569  -6.173  -6.173
  837    HG   LEU 113           HG       LEU 113 120.771  -5.899  -5.899
  838   1HD1  LEU 113          3HD1      LEU 113 121.714  -6.212  -6.212
  839   2HD1  LEU 113          2HD1      LEU 113 122.463  -7.300  -7.300
  840   3HD1  LEU 113          1HD1      LEU 113 122.552  -5.556  -5.556
  841   1HD2  LEU 113          3HD2      LEU 113 120.006  -8.346  -8.346
  842   2HD2  LEU 113          2HD2      LEU 113 119.372  -7.894  -7.894
  843   3HD2  LEU 113          1HD2      LEU 113 121.059  -8.378  -8.378
  844    HA   PRO 114           HA       PRO 114 116.224  -2.908  -2.908
  845   1HB   PRO 114          2HB       PRO 114 115.586  -4.894  -4.894
  846   2HB   PRO 114          1HB       PRO 114 116.807  -3.653  -3.653
  847   1HG   PRO 114          2HG       PRO 114 117.172  -6.464  -6.464
  848   2HG   PRO 114          1HG       PRO 114 118.108  -5.534  -5.534
  849   1HD   PRO 114          2HD       PRO 114 118.955  -5.953  -5.953
  850   2HD   PRO 114          1HD       PRO 114 119.362  -4.486  -4.486
  851    H    VAL 115           H        VAL 115 116.463  -6.345  -6.345
  852    HA   VAL 115           HA       VAL 115 113.623  -6.714  -6.714
  853    HB   VAL 115           HB       VAL 115 115.423  -8.464  -8.464
  854   1HG1  VAL 115          1HG1      VAL 115 116.039  -7.892  -7.892
  855   2HG1  VAL 115          3HG1      VAL 115 116.664  -9.264  -9.264
  856   3HG1  VAL 115          2HG1      VAL 115 117.121  -7.623  -7.623
  857   1HG2  VAL 115          3HG2      VAL 115 113.516  -8.664  -8.664
  858   2HG2  VAL 115          2HG2      VAL 115 113.317  -9.296  -9.296
  859   3HG2  VAL 115          1HG2      VAL 115 114.472 -10.047 -10.047
  860    H    ASP 116           H        ASP 116 116.330  -5.572  -5.572
  861    HA   ASP 116           HA       ASP 116 115.055  -5.709  -5.709
  862   1HB   ASP 116          2HB       ASP 116 117.536  -5.354  -5.354
  863   2HB   ASP 116          1HB       ASP 116 117.091  -3.650  -3.650
  864    H    LEU 117           H        LEU 117 114.882  -3.437  -3.437
  865    HA   LEU 117           HA       LEU 117 113.723  -1.247  -1.247
  866   1HB   LEU 117          2HB       LEU 117 114.886  -1.662  -1.662
  867   2HB   LEU 117          1HB       LEU 117 113.202  -1.294  -1.294
  868    HG   LEU 117           HG       LEU 117 114.787   0.382   0.382
  869   1HD1  LEU 117          2HD1      LEU 117 115.136   0.153   0.153
  870   2HD1  LEU 117          1HD1      LEU 117 114.593   1.772   1.772
  871   3HD1  LEU 117          3HD1      LEU 117 116.058   1.106   1.106
  872   1HD2  LEU 117          2HD2      LEU 117 112.090   0.322   0.322
  873   2HD2  LEU 117          1HD2      LEU 117 112.848   1.526   1.526
  874   3HD2  LEU 117          3HD2      LEU 117 112.834   1.756   1.756
  875    H    ALA 118           H        ALA 118 112.373  -3.455  -3.455
  876    HA   ALA 118           HA       ALA 118 109.686  -2.720  -2.720
  877   1HB   ALA 118          2HB       ALA 118 111.186  -4.668  -4.668
  878   2HB   ALA 118          1HB       ALA 118 110.276  -5.631  -5.631
  879   3HB   ALA 118          3HB       ALA 118 109.422  -4.663  -4.663
  880    H    GLU 119           H        GLU 119 111.385  -4.904  -4.904
  881    HA   GLU 119           HA       GLU 119 109.093  -5.676  -5.676
  882   1HB   GLU 119          2HB       GLU 119 112.042  -5.712  -5.712
  883   2HB   GLU 119          1HB       GLU 119 111.224  -5.709  -5.709
  884   1HG   GLU 119          2HG       GLU 119 109.709  -7.537  -7.537
  885   2HG   GLU 119          1HG       GLU 119 111.246  -7.791  -7.791
  886    H    GLU 120           H        GLU 120 111.492  -3.063  -3.063
  887    HA   GLU 120           HA       GLU 120 110.361  -1.959  -1.959
  888   1HB   GLU 120          2HB       GLU 120 112.604  -1.462  -1.462
  889   2HB   GLU 120          1HB       GLU 120 111.882  -0.683  -0.683
  890   1HG   GLU 120          2HG       GLU 120 111.138   1.155   1.155
  891   2HG   GLU 120          1HG       GLU 120 111.129   0.263   0.263
  892    H    LEU 121           H        LEU 121 109.965  -0.889  -0.889
  893    HA   LEU 121           HA       LEU 121 108.030   1.124   1.124
  894   1HB   LEU 121          2HB       LEU 121 109.004  -0.640  -0.640
  895   2HB   LEU 121          1HB       LEU 121 107.387   0.006   0.006
  896    HG   LEU 121           HG       LEU 121 109.337   1.417   1.417
  897   1HD1  LEU 121          2HD1      LEU 121 106.895   2.134   2.134
  898   2HD1  LEU 121          1HD1      LEU 121 108.104   3.385   3.385
  899   3HD1  LEU 121          3HD1      LEU 121 107.677   2.932   2.932
  900   1HD2  LEU 121          1HD2      LEU 121 110.476   1.022   1.022
  901   2HD2  LEU 121          3HD2      LEU 121 110.774   2.486   2.486
  902   3HD2  LEU 121          2HD2      LEU 121 109.594   2.503   2.503
  903    H    GLY 122           H        GLY 122 107.013  -1.881  -1.881
  904   1HA   GLY 122          2HA       GLY 122 105.305  -3.065  -3.065
  905   2HA   GLY 122          1HA       GLY 122 104.372  -1.686  -1.686
  906    H    HIS 123           H        HIS 123 106.671  -3.707  -3.707
  907    HA   HIS 123           HA       HIS 123 104.406  -4.503  -4.503
  908   1HB   HIS 123          2HB       HIS 123 107.306  -4.079  -4.079
  909   2HB   HIS 123          1HB       HIS 123 105.913  -4.178  -4.178
  910    HD1  HIS 123           HD1      HIS 123 103.998  -2.195  -2.195
  911    HD2  HIS 123           HD2      HIS 123 107.999  -1.453  -1.453
  912    HE1  HIS 123           HE1      HIS 123 104.211   0.310   0.310
  913    H    ARG 124           H        ARG 124 104.619  -6.262  -6.262
  914    HA   ARG 124           HA       ARG 124 106.671  -8.142  -8.142
  915   1HB   ARG 124          2HB       ARG 124 103.718  -8.081  -8.081
  916   2HB   ARG 124          1HB       ARG 124 104.444  -9.685  -9.685
  917   1HG   ARG 124          2HG       ARG 124 105.482  -9.495  -9.495
  918   2HG   ARG 124          1HG       ARG 124 105.861  -7.790  -7.790
  919   1HD   ARG 124          2HD       ARG 124 103.930  -7.088  -7.088
  920   2HD   ARG 124          1HD       ARG 124 102.976  -8.420  -8.420
  921    HE   ARG 124           HE       ARG 124 104.097  -9.914  -9.914
  922   1HH1  ARG 124          2HH1      ARG 124 105.282  -6.797  -6.797
  923   2HH1  ARG 124          1HH1      ARG 124 105.002  -6.724  -6.724
  924   1HH2  ARG 124          1HH2      ARG 124 103.223  -9.701  -9.701
  925   2HH2  ARG 124          2HH2      ARG 124 103.837  -8.372  -8.372
  926    H    ASP 125           H        ASP 125 104.007  -8.110  -8.110
  927    HA   ASP 125           HA       ASP 125 104.571 -10.504 -10.504
  928   1HB   ASP 125          2HB       ASP 125 102.932  -8.253  -8.253
  929   2HB   ASP 125          1HB       ASP 125 103.887  -8.265  -8.265
  930    H    VAL 126           H        VAL 126 105.952  -7.248  -7.248
  931    HA   VAL 126           HA       VAL 126 107.742  -8.180  -8.180
  932    HB   VAL 126           HB       VAL 126 108.072  -5.647  -5.647
  933   1HG1  VAL 126          1HG1      VAL 126 108.742  -6.642  -6.642
  934   2HG1  VAL 126          3HG1      VAL 126 108.442  -4.920  -4.920
  935   3HG1  VAL 126          2HG1      VAL 126 109.730  -5.713  -5.713
  936   1HG2  VAL 126          3HG2      VAL 126 105.925  -6.348  -6.348
  937   2HG2  VAL 126          2HG2      VAL 126 105.737  -5.569  -5.569
  938   3HG2  VAL 126          1HG2      VAL 126 106.458  -4.683  -4.683
  939    H    ALA 127           H        ALA 127 108.104  -7.415  -7.415
  940    HA   ALA 127           HA       ALA 127 110.921  -7.807  -7.807
  941   1HB   ALA 127          1HB       ALA 127 108.993  -6.995  -6.995
  942   2HB   ALA 127          3HB       ALA 127 109.036  -8.683  -8.683
  943   3HB   ALA 127          2HB       ALA 127 110.486  -7.687  -7.687
  944    H    ARG 128           H        ARG 128 108.225 -10.121 -10.121
  945    HA   ARG 128           HA       ARG 128 109.676 -12.442 -12.442
  946   1HB   ARG 128          2HB       ARG 128 107.075 -11.684 -11.684
  947   2HB   ARG 128          1HB       ARG 128 107.609 -13.254 -13.254
  948   1HG   ARG 128          2HG       ARG 128 107.603 -14.214 -14.214
  949   2HG   ARG 128          1HG       ARG 128 107.908 -12.679 -12.679
  950   1HD   ARG 128          2HD       ARG 128 105.624 -11.951 -11.951
  951   2HD   ARG 128          1HD       ARG 128 105.292 -13.358 -13.358
  952    HE   ARG 128           HE       ARG 128 105.280 -14.744 -14.744
  953   1HH1  ARG 128          2HH1      ARG 128 104.368 -11.844 -11.844
  954   2HH1  ARG 128          1HH1      ARG 128 105.124 -11.855 -11.855
  955   1HH2  ARG 128          1HH2      ARG 128 107.094 -14.622 -14.622
  956   2HH2  ARG 128          2HH2      ARG 128 106.663 -13.427 -13.427
  957    H    TYR 129           H        TYR 129 108.420 -11.801 -11.801
  958    HA   TYR 129           HA       TYR 129 109.986 -13.691 -13.691
  959   1HB   TYR 129          2HB       TYR 129 108.044 -12.297 -12.297
  960   2HB   TYR 129          1HB       TYR 129 109.166 -10.946 -10.946
  961    HD1  TYR 129           HD1      TYR 129 108.229 -14.272 -14.272
  962    HD2  TYR 129           HD2      TYR 129 110.921 -10.949 -10.949
  963    HE1  TYR 129           HE1      TYR 129 108.980 -15.150 -15.150
  964    HE2  TYR 129           HE2      TYR 129 111.670 -11.826 -11.826
  965    HH   TYR 129           HH       TYR 129 111.703 -13.764 -13.764
  966    H    LEU 130           H        LEU 130 110.845 -10.466 -10.466
  967    HA   LEU 130           HA       LEU 130 113.314 -10.218 -10.218
  968   1HB   LEU 130          2HB       LEU 130 111.898  -8.890  -8.890
  969   2HB   LEU 130          1HB       LEU 130 113.642  -8.637  -8.637
  970    HG   LEU 130           HG       LEU 130 111.921  -8.312  -8.312
  971   1HD1  LEU 130          1HD1      LEU 130 111.068  -6.854  -6.854
  972   2HD1  LEU 130          3HD1      LEU 130 112.660  -6.096  -6.096
  973   3HD1  LEU 130          2HD1      LEU 130 111.660  -5.965  -5.965
  974   1HD2  LEU 130          1HD2      LEU 130 114.398  -8.472  -8.472
  975   2HD2  LEU 130          3HD2      LEU 130 113.787  -6.895  -6.895
  976   3HD2  LEU 130          2HD2      LEU 130 114.557  -7.081  -7.081
  977    H    ARG 131           H        ARG 131 112.657 -11.032 -11.032
  978    HA   ARG 131           HA       ARG 131 115.304 -11.661 -11.661
  979   1HB   ARG 131          2HB       ARG 131 113.062 -11.479 -11.479
  980   2HB   ARG 131          1HB       ARG 131 112.871 -13.190 -13.190
  981   1HG   ARG 131          2HG       ARG 131 114.500 -13.828 -13.828
  982   2HG   ARG 131          1HG       ARG 131 115.535 -12.459 -12.459
  983   1HD   ARG 131          2HD       ARG 131 114.870 -12.084 -12.084
  984   2HD   ARG 131          1HD       ARG 131 113.825 -11.016 -11.016
  985    HE   ARG 131           HE       ARG 131 112.737 -13.710 -13.710
  986   1HH1  ARG 131          2HH1      ARG 131 111.348 -10.940 -10.940
  987   2HH1  ARG 131          1HH1      ARG 131 110.612 -10.816 -10.816
  988   1HH2  ARG 131          1HH2      ARG 131 112.516 -13.359 -13.359
  989   2HH2  ARG 131          2HH2      ARG 131 111.278 -12.183 -12.183
  990    H    ALA 132           H        ALA 132 112.967 -13.555 -13.555
  991    HA   ALA 132           HA       ALA 132 114.636 -15.988 -15.988
  992   1HB   ALA 132          2HB       ALA 132 111.898 -15.268 -15.268
  993   2HB   ALA 132          1HB       ALA 132 112.473 -16.167 -16.167
  994   3HB   ALA 132          3HB       ALA 132 112.580 -16.881 -16.881
  995    H    ALA 133           H        ALA 133 113.301 -13.885 -13.885
  996    HA   ALA 133           HA       ALA 133 115.018 -15.028 -15.028
  997   1HB   ALA 133          2HB       ALA 133 112.680 -13.897 -13.897
  998   2HB   ALA 133          1HB       ALA 133 113.575 -12.379 -12.379
  999   3HB   ALA 133          3HB       ALA 133 113.834 -13.539 -13.539
 1000    H    ALA 134           H        ALA 134 115.579 -12.744 -12.744
 1001    HA   ALA 134           HA       ALA 134 117.889 -11.587 -11.587
 1002   1HB   ALA 134          1HB       ALA 134 115.726 -10.245 -10.245
 1003   2HB   ALA 134          3HB       ALA 134 116.678 -10.193 -10.193
 1004   3HB   ALA 134          2HB       ALA 134 117.328  -9.515  -9.515
 1005    H    GLY 135           H        GLY 135 116.711 -12.471 -12.471
 1006   1HA   GLY 135          2HA       GLY 135 119.052 -12.123 -12.123
 1007   2HA   GLY 135          1HA       GLY 135 117.878 -13.395 -13.395
 1008    H    GLY 136           H        GLY 136 121.066 -12.909 -12.909
 1009   1HA   GLY 136          2HA       GLY 136 121.491 -15.247 -15.247
 1010   2HA   GLY 136          1HA       GLY 136 122.751 -14.219 -14.219
 1011    H    THR 137           H        THR 137 120.540 -15.081 -15.081
 1012    HA   THR 137           HA       THR 137 122.404 -16.568 -16.568
 1013    HB   THR 137           HB       THR 137 120.334 -17.122 -17.122
 1014    HG1  THR 137           HG1      THR 137 118.780 -17.372 -17.372
 1015   1HG2  THR 137          2HG2      THR 137 121.297 -14.488 -14.488
 1016   2HG2  THR 137          1HG2      THR 137 119.601 -14.444 -14.444
 1017   3HG2  THR 137          3HG2      THR 137 120.817 -15.078 -15.078
 1018    H    ARG 138           H        ARG 138 123.264 -18.484 -18.484
 1019    HA   ARG 138           HA       ARG 138 121.364 -20.554 -20.554
 1020   1HB   ARG 138          2HB       ARG 138 122.785 -19.718 -19.718
 1021   2HB   ARG 138          1HB       ARG 138 124.215 -19.831 -19.831
 1022   1HG   ARG 138          2HG       ARG 138 123.975 -22.286 -22.286
 1023   2HG   ARG 138          1HG       ARG 138 122.541 -22.179 -22.179
 1024   1HD   ARG 138          2HD       ARG 138 123.988 -21.010 -21.010
 1025   2HD   ARG 138          1HD       ARG 138 125.391 -21.458 -21.458
 1026    HE   ARG 138           HE       ARG 138 124.339 -23.861 -23.861
 1027   1HH1  ARG 138          2HH1      ARG 138 122.350 -22.629 -22.629
 1028   2HH1  ARG 138          1HH1      ARG 138 123.067 -23.159 -23.159
 1029   1HH2  ARG 138          1HH2      ARG 138 126.095 -24.021 -24.021
 1030   2HH2  ARG 138          2HH2      ARG 138 125.188 -23.958 -23.958
 1031    H    GLY 139           H        GLY 139 124.802 -20.714 -20.714
 1032   1HA   GLY 139          2HA       GLY 139 125.399 -21.570 -21.570
 1033   2HA   GLY 139          1HA       GLY 139 124.028 -22.666 -22.666
 1034    H    SER 140           H        SER 140 126.653 -21.810 -21.810
 1035    HA   SER 140           HA       SER 140 126.947 -24.470 -24.470
 1036   1HB   SER 140          2HB       SER 140 129.040 -22.282 -22.282
 1037   2HB   SER 140          1HB       SER 140 128.886 -23.537 -23.537
 1038    HG   SER 140           HG       SER 140 128.000 -21.604 -21.604
 1039    H    ASN 141           H        ASN 141 128.046 -22.996 -22.996
 1040    HA   ASN 141           HA       ASN 141 130.027 -25.190 -25.190
 1041   1HB   ASN 141          2HB       ASN 141 130.071 -22.398 -22.398
 1042   2HB   ASN 141          1HB       ASN 141 129.916 -23.044 -23.044
 1043   1HD2  ASN 141          1HD2      ASN 141 132.214 -22.248 -22.248
 1044   2HD2  ASN 141          2HD2      ASN 141 133.495 -23.206 -23.206
 1045    H    HIS 142           H        HIS 142 127.195 -23.535 -23.535
 1046    HA   HIS 142           HA       HIS 142 126.664 -25.950 -25.950
 1047   1HB   HIS 142          2HB       HIS 142 126.400 -24.557 -24.557
 1048   2HB   HIS 142          1HB       HIS 142 127.999 -24.274 -24.274
 1049    HD1  HIS 142           HD1      HIS 142 128.188 -22.065 -22.065
 1050    HD2  HIS 142           HD2      HIS 142 124.841 -22.268 -22.268
 1051    HE1  HIS 142           HE1      HIS 142 127.231 -19.723 -19.723
 1052    H    ALA 143           H        ALA 143 124.472 -24.906 -24.906
 1053    HA   ALA 143           HA       ALA 143 122.575 -24.268 -24.268
 1054   1HB   ALA 143          3HB       ALA 143 122.204 -25.778 -25.778
 1055   2HB   ALA 143          2HB       ALA 143 120.939 -25.508 -25.508
 1056   3HB   ALA 143          1HB       ALA 143 122.339 -26.503 -26.503
 1057    H    ARG 144           H        ARG 144 121.370 -22.404 -22.404
 1058    HA   ARG 144           HA       ARG 144 121.920 -20.551 -20.551
 1059   1HB   ARG 144          2HB       ARG 144 121.098 -20.331 -20.331
 1060   2HB   ARG 144          1HB       ARG 144 119.518 -20.299 -20.299
 1061   1HG   ARG 144          2HG       ARG 144 121.001 -18.594 -18.594
 1062   2HG   ARG 144          1HG       ARG 144 121.634 -18.259 -18.259
 1063   1HD   ARG 144          2HD       ARG 144 119.756 -16.786 -16.786
 1064   2HD   ARG 144          1HD       ARG 144 119.160 -18.113 -18.113
 1065    HE   ARG 144           HE       ARG 144 118.633 -19.099 -19.099
 1066   1HH1  ARG 144          1HH2      ARG 144 118.788 -15.785 -15.785
 1067   2HH1  ARG 144          2HH2      ARG 144 117.130 -15.499 -15.499
 1068   1HH2  ARG 144          2HH1      ARG 144 116.203 -18.825 -18.825
 1069   2HH2  ARG 144          1HH1      ARG 144 115.668 -17.218 -17.218
 1070    H    ILE 145           H        ILE 145 121.111 -20.936 -20.936
 1071    HA   ILE 145           HA       ILE 145 119.597 -21.547 -21.547
 1072    HB   ILE 145           HB       ILE 145 117.840 -20.460 -20.460
 1073   1HG1  ILE 145          2HG1      ILE 145 118.823 -19.305 -19.305
 1074   2HG1  ILE 145          1HG1      ILE 145 119.476 -18.917 -18.917
 1075   1HG2  ILE 145          3HG2      ILE 145 117.009 -21.911 -21.911
 1076   2HG2  ILE 145          2HG2      ILE 145 116.604 -20.214 -20.214
 1077   3HG2  ILE 145          1HG2      ILE 145 115.999 -21.067 -21.067
 1078   1HD1  ILE 145          1HD1      ILE 145 116.731 -18.517 -18.517
 1079   2HD1  ILE 145          3HD1      ILE 145 117.082 -17.888 -17.888
 1080   3HD1  ILE 145          2HD1      ILE 145 117.946 -17.256 -17.256
 1081    H    ASP 146           H        ASP 146 120.110 -23.855 -23.855
 1082    HA   ASP 146           HA       ASP 146 119.095 -25.732 -25.732
 1083   1HB   ASP 146          2HB       ASP 146 120.705 -26.069 -26.069
 1084   2HB   ASP 146          1HB       ASP 146 119.345 -26.008 -26.008
 1085    H    ALA 147           H        ALA 147 116.948 -25.510 -25.510
 1086    HA   ALA 147           HA       ALA 147 114.673 -24.753 -24.753
 1087   1HB   ALA 147          2HB       ALA 147 115.227 -25.594 -25.594
 1088   2HB   ALA 147          1HB       ALA 147 114.450 -27.053 -27.053
 1089   3HB   ALA 147          3HB       ALA 147 113.576 -25.521 -25.521
 1090    H    ALA 148           H        ALA 148 114.343 -25.549 -25.549
 1091    HA   ALA 148           HA       ALA 148 114.928 -28.049 -28.049
 1092   1HB   ALA 148          1HB       ALA 148 114.064 -26.059 -26.059
 1093   2HB   ALA 148          3HB       ALA 148 112.481 -26.310 -26.310
 1094   3HB   ALA 148          2HB       ALA 148 113.125 -27.497 -27.497
 1095    H    GLU 149           H        GLU 149 114.261 -30.080 -30.080
 1096    HA   GLU 149           HA       GLU 149 112.546 -30.846 -30.846
 1097   1HB   GLU 149          2HB       GLU 149 114.137 -32.163 -32.163
 1098   2HB   GLU 149          1HB       GLU 149 112.738 -32.334 -32.334
 1099   1HG   GLU 149          2HG       GLU 149 112.067 -32.950 -32.950
 1100   2HG   GLU 149          1HG       GLU 149 113.380 -33.968 -33.968
 1101    H    GLY 150           H        GLY 150 110.404 -30.418 -30.418
 1102   1HA   GLY 150          2HA       GLY 150 108.713 -29.613 -29.613
 1103   2HA   GLY 150          1HA       GLY 150 108.232 -29.648 -29.648
 1104    HA   PRO 151           HA       PRO 151 106.905 -33.548 -33.548
 1105   1HB   PRO 151          2HB       PRO 151 104.506 -32.773 -32.773
 1106   2HB   PRO 151          1HB       PRO 151 106.040 -32.673 -32.673
 1107   1HG   PRO 151          2HG       PRO 151 104.489 -30.529 -30.529
 1108   2HG   PRO 151          1HG       PRO 151 105.462 -30.467 -30.467
 1109   1HD   PRO 151          2HD       PRO 151 106.286 -29.527 -29.527
 1110   2HD   PRO 151          1HD       PRO 151 107.375 -30.007 -30.007
 1111    H    SER 152           H        SER 152 103.884 -31.815 -31.815
 1112    HA   SER 152           HA       SER 152 103.641 -32.699 -32.699
 1113   1HB   SER 152          2HB       SER 152 102.323 -34.165 -34.165
 1114   2HB   SER 152          1HB       SER 152 101.693 -34.252 -34.252
 1115    HG   SER 152           HG       SER 152 104.110 -34.745 -34.745
 1116    H    ASP 153           H        ASP 153 102.757 -30.721 -30.721
 1117    HA   ASP 153           HA       ASP 153 100.997 -29.089 -29.089
 1118   1HB   ASP 153          2HB       ASP 153 102.374 -28.749 -28.749
 1119   2HB   ASP 153          1HB       ASP 153 100.888 -29.284 -29.284
 1120    H    ILE 154           H        ILE 154  98.652 -28.613 -28.613
 1121    HA   ILE 154           HA       ILE 154  97.239 -31.213 -31.213
 1122    HB   ILE 154           HB       ILE 154  96.399 -28.879 -28.879
 1123   1HG1  ILE 154          2HG1      ILE 154  96.775 -31.429 -31.429
 1124   2HG1  ILE 154          1HG1      ILE 154  98.257 -30.936 -30.936
 1125   1HG2  ILE 154          3HG2      ILE 154  94.888 -30.972 -30.972
 1126   2HG2  ILE 154          2HG2      ILE 154  95.032 -31.359 -31.359
 1127   3HG2  ILE 154          1HG2      ILE 154  94.350 -29.812 -29.812
 1128   1HD1  ILE 154          1HD1      ILE 154  98.109 -28.716 -28.716
 1129   2HD1  ILE 154          3HD1      ILE 154  96.653 -29.240 -29.240
 1130   3HD1  ILE 154          2HD1      ILE 154  98.199 -30.017 -30.017
 1131    HA   PRO 155           HA       PRO 155  96.094 -28.186 -28.186
 1132   1HB   PRO 155          2HB       PRO 155  95.992 -30.036 -30.036
 1133   2HB   PRO 155          1HB       PRO 155  97.493 -29.230 -29.230
 1134   1HG   PRO 155          2HG       PRO 155  96.504 -31.957 -31.957
 1135   2HG   PRO 155          1HG       PRO 155  98.151 -31.405 -31.405
 1136   1HD   PRO 155          2HD       PRO 155  97.214 -31.901 -31.901
 1137   2HD   PRO 155          1HD       PRO 155  98.524 -30.755 -30.755
 1138    H    ASP 156           HN       ASP 156  93.929 -27.707 -27.707
 1139    HA   ASP 156           HA       ASP 156  91.949 -29.890 -29.890
 1140   1HB   ASP 156          2HB       ASP 156  92.271 -27.447 -27.447
 1141   2HB   ASP 156          1HB       ASP 156  91.152 -27.033 -27.033

  Start of MODEL   10
    1   1H    MET   1          3H        MET   1 117.988  37.331  37.331
    2   2H    MET   1          2H        MET   1 117.790  37.801  37.801
    3   3H    MET   1          1H        MET   1 119.207  37.002  37.002
    4    HA   MET   1           HA       MET   1 118.041  34.966  34.966
    5   1HB   MET   1          2HB       MET   1 118.038  36.503  36.503
    6   2HB   MET   1          1HB       MET   1 116.841  35.209  35.209
    7   1HG   MET   1          2HG       MET   1 119.673  34.718  34.718
    8   2HG   MET   1          1HG       MET   1 119.230  34.628  34.628
    9   1HE   MET   1          1HE       MET   1 120.496  32.686  32.686
   10   2HE   MET   1          3HE       MET   1 119.482  31.455  31.455
   11   3HE   MET   1          2HE       MET   1 119.987  31.273  31.273
   12    H    GLU   2           H        GLU   2 116.361  36.801  36.801
   13    HA   GLU   2           HA       GLU   2 113.655  36.814  36.814
   14   1HB   GLU   2          2HB       GLU   2 115.161  37.730  37.730
   15   2HB   GLU   2          1HB       GLU   2 113.771  36.836  36.836
   16   1HG   GLU   2          2HG       GLU   2 113.188  38.672  38.672
   17   2HG   GLU   2          1HG       GLU   2 113.673  39.456  39.456
   18    HA   PRO   3           HA       PRO   3 112.992  32.995  32.995
   19   1HB   PRO   3          2HB       PRO   3 115.167  31.825  31.825
   20   2HB   PRO   3          1HB       PRO   3 114.246  33.131  33.131
   21   1HG   PRO   3          2HG       PRO   3 116.838  33.255  33.255
   22   2HG   PRO   3          1HG       PRO   3 116.318  34.119  34.119
   23   1HD   PRO   3          2HD       PRO   3 116.373  35.244  35.244
   24   2HD   PRO   3          1HD       PRO   3 115.265  35.757  35.757
   25    H    ALA   4           H        ALA   4 112.893  30.867  30.867
   26    HA   ALA   4           HA       ALA   4 115.041  29.568  29.568
   27   1HB   ALA   4          1HB       ALA   4 112.874  30.966  30.966
   28   2HB   ALA   4          3HB       ALA   4 114.060  29.848  29.848
   29   3HB   ALA   4          2HB       ALA   4 114.588  31.382  31.382
   30    H    ALA   5           H        ALA   5 114.270  27.508  27.508
   31    HA   ALA   5           HA       ALA   5 111.569  26.601  26.601
   32   1HB   ALA   5          1HB       ALA   5 113.110  26.496  26.496
   33   2HB   ALA   5          3HB       ALA   5 112.019  25.160  25.160
   34   3HB   ALA   5          2HB       ALA   5 111.393  26.805  26.805
   35    H    GLY   6           H        GLY   6 112.429  25.518  25.518
   36   1HA   GLY   6          2HA       GLY   6 113.899  23.023  23.023
   37   2HA   GLY   6          1HA       GLY   6 114.532  24.042  24.042
   38    H    SER   7           H        SER   7 113.054  24.442  24.442
   39    HA   SER   7           HA       SER   7 111.617  23.641  23.641
   40   1HB   SER   7          2HB       SER   7 110.129  22.116  22.116
   41   2HB   SER   7          1HB       SER   7 109.488  23.028  23.028
   42    HG   SER   7           HG       SER   7 109.275  24.045  24.045
   43    H    SER   8           H        SER   8 113.919  22.232  22.232
   44    HA   SER   8           HA       SER   8 113.035  19.479  19.479
   45   1HB   SER   8          2HB       SER   8 113.898  18.557  18.557
   46   2HB   SER   8          1HB       SER   8 114.073  20.189  20.189
   47    HG   SER   8           HG       SER   8 116.115  19.595  19.595
   48    H    MET   9           H        MET   9 114.327  21.940  21.940
   49    HA   MET   9           HA       MET   9 116.975  20.846  20.846
   50   1HB   MET   9          2HB       MET   9 116.179  23.326  23.326
   51   2HB   MET   9          1HB       MET   9 115.782  23.358  23.358
   52   1HG   MET   9          2HG       MET   9 118.224  22.288  22.288
   53   2HG   MET   9          1HG       MET   9 118.448  23.152  23.152
   54   1HE   MET   9          2HE       MET   9 117.927  22.888  22.888
   55   2HE   MET   9          1HE       MET   9 118.792  24.283  24.283
   56   3HE   MET   9          3HE       MET   9 117.027  24.308  24.308
   57    H    GLU  10           H        GLU  10 115.099  19.119  19.119
   58    HA   GLU  10           HA       GLU  10 115.259  19.621  19.621
   59   1HB   GLU  10          2HB       GLU  10 112.875  19.986  19.986
   60   2HB   GLU  10          1HB       GLU  10 112.608  18.771  18.771
   61   1HG   GLU  10          2HG       GLU  10 112.354  20.428  20.428
   62   2HG   GLU  10          1HG       GLU  10 114.044  20.860  20.860
   63    HA   PRO  11           HA       PRO  11 115.741  15.193  15.193
   64   1HB   PRO  11          2HB       PRO  11 118.143  14.794  14.794
   65   2HB   PRO  11          1HB       PRO  11 118.008  15.415  15.415
   66   1HG   PRO  11          2HG       PRO  11 118.633  16.846  16.846
   67   2HG   PRO  11          1HG       PRO  11 119.165  17.174  17.174
   68   1HD   PRO  11          2HD       PRO  11 117.164  18.553  18.553
   69   2HD   PRO  11          1HD       PRO  11 117.425  18.572  18.572
   70    H    SER  12           H        SER  12 113.944  14.935  14.935
   71    HA   SER  12           HA       SER  12 114.256  15.059  15.059
   72   1HB   SER  12          2HB       SER  12 112.448  13.211  13.211
   73   2HB   SER  12          1HB       SER  12 112.146  13.894  13.894
   74    HG   SER  12           HG       SER  12 111.788  14.976  14.976
   75    H    ALA  13           H        ALA  13 114.884  13.485  13.485
   76    HA   ALA  13           HA       ALA  13 115.580  10.755  10.755
   77   1HB   ALA  13          2HB       ALA  13 117.492  12.937  12.937
   78   2HB   ALA  13          1HB       ALA  13 117.897  11.278  11.278
   79   3HB   ALA  13          3HB       ALA  13 117.643  11.707  11.707
   80    H    ASP  14           H        ASP  14 115.946  13.047  13.047
   81    HA   ASP  14           HA       ASP  14 115.798  10.973  10.973
   82   1HB   ASP  14          2HB       ASP  14 116.083  13.881  13.881
   83   2HB   ASP  14          1HB       ASP  14 115.124  13.409  13.409
   84    H    TRP  15           H        TRP  15 113.416  12.309  12.309
   85    HA   TRP  15           HA       TRP  15 111.175  12.693  12.693
   86   1HB   TRP  15          2HB       TRP  15 111.666  11.803  11.803
   87   2HB   TRP  15          1HB       TRP  15 110.026  11.753  11.753
   88    HD1  TRP  15           HD1      TRP  15 112.092  14.505  14.505
   89    HE1  TRP  15           HE1      TRP  15 111.389  16.767  16.767
   90    HE3  TRP  15           HE3      TRP  15 109.125  12.873  12.873
   91    HZ2  TRP  15           HZ2      TRP  15 109.777  17.753  17.753
   92    HZ3  TRP  15           HZ3      TRP  15 108.019  14.494  14.494
   93    HH2  TRP  15           HH2      TRP  15 108.341  16.932  16.932
   94    H    LEU  16           H        LEU  16 112.888   9.770   9.770
   95    HA   LEU  16           HA       LEU  16 110.740   7.883   7.883
   96   1HB   LEU  16          2HB       LEU  16 112.509   6.882   6.882
   97   2HB   LEU  16          1HB       LEU  16 113.673   7.983   7.983
   98    HG   LEU  16           HG       LEU  16 113.593   6.701   6.701
   99   1HD1  LEU  16          2HD1      LEU  16 111.157   5.782   5.782
  100   2HD1  LEU  16          1HD1      LEU  16 112.216   4.376   4.376
  101   3HD1  LEU  16          3HD1      LEU  16 111.950   5.217   5.217
  102   1HD2  LEU  16          1HD2      LEU  16 114.596   5.789   5.789
  103   2HD2  LEU  16          3HD2      LEU  16 115.260   5.498   5.498
  104   3HD2  LEU  16          2HD2      LEU  16 114.075   4.383   4.383
  105    H    ALA  17           H        ALA  17 113.410   8.819   8.819
  106    HA   ALA  17           HA       ALA  17 112.221   7.458   7.458
  107   1HB   ALA  17          1HB       ALA  17 114.657   8.009   8.009
  108   2HB   ALA  17          3HB       ALA  17 114.262   9.703   9.703
  109   3HB   ALA  17          2HB       ALA  17 114.047   8.509   8.509
  110    H    THR  18           H        THR  18 112.361  10.861  10.861
  111    HA   THR  18           HA       THR  18 111.165  12.186  12.186
  112    HB   THR  18           HB       THR  18 111.102  12.441  12.441
  113    HG1  THR  18           HG1      THR  18 112.554  13.930  13.930
  114   1HG2  THR  18          3HG2      THR  18 109.654  14.274  14.274
  115   2HG2  THR  18          2HG2      THR  18 109.950  14.625  14.625
  116   3HG2  THR  18          1HG2      THR  18 108.902  13.281  13.281
  117    H    ALA  19           H        ALA  19 109.309  10.980  10.980
  118    HA   ALA  19           HA       ALA  19 106.713  11.286  11.286
  119   1HB   ALA  19          3HB       ALA  19 107.968   9.223   9.223
  120   2HB   ALA  19          2HB       ALA  19 106.227   9.376   9.376
  121   3HB   ALA  19          1HB       ALA  19 107.147  10.711  10.711
  122    H    ALA  20           H        ALA  20 108.940   8.527   8.527
  123    HA   ALA  20           HA       ALA  20 107.256   6.730   6.730
  124   1HB   ALA  20          2HB       ALA  20 109.552   6.386   6.386
  125   2HB   ALA  20          1HB       ALA  20 110.224   7.211   7.211
  126   3HB   ALA  20          3HB       ALA  20 109.360   5.690   5.690
  127    H    ALA  21           H        ALA  21 109.587   9.103   9.103
  128    HA   ALA  21           HA       ALA  21 109.163   8.723   8.723
  129   1HB   ALA  21          3HB       ALA  21 110.563  10.416  10.416
  130   2HB   ALA  21          2HB       ALA  21 109.338  11.522  11.522
  131   3HB   ALA  21          1HB       ALA  21 110.393  10.652  10.652
  132    H    ARG  22           H        ARG  22 107.040  10.218  10.218
  133    HA   ARG  22           HA       ARG  22 105.216  11.162  11.162
  134   1HB   ARG  22          2HB       ARG  22 105.444  11.683  11.683
  135   2HB   ARG  22          1HB       ARG  22 104.174  12.368  12.368
  136   1HG   ARG  22          2HG       ARG  22 106.273  13.066  13.066
  137   2HG   ARG  22          1HG       ARG  22 107.096  12.990  12.990
  138   1HD   ARG  22          2HD       ARG  22 105.681  14.661  14.661
  139   2HD   ARG  22          1HD       ARG  22 104.511  14.524  14.524
  140    HE   ARG  22           HE       ARG  22 107.111  15.163  15.163
  141   1HH1  ARG  22          1HH2      ARG  22 104.023  16.336  16.336
  142   2HH1  ARG  22          2HH2      ARG  22 104.461  18.010  18.010
  143   1HH2  ARG  22          2HH1      ARG  22 107.868  17.384  17.384
  144   2HH2  ARG  22          1HH1      ARG  22 106.642  18.605  18.605
  145    H    GLY  23           H        GLY  23 105.589   8.308   8.308
  146   1HA   GLY  23          2HA       GLY  23 104.333   6.434   6.434
  147   2HA   GLY  23          1HA       GLY  23 103.036   7.277   7.277
  148    H    ARG  24           H        ARG  24 104.680   8.202   8.202
  149    HA   ARG  24           HA       ARG  24 102.008   8.353   8.353
  150   1HB   ARG  24          2HB       ARG  24 104.768   9.395   9.395
  151   2HB   ARG  24          1HB       ARG  24 103.309   9.716   9.716
  152   1HG   ARG  24          2HG       ARG  24 102.352  10.509  10.509
  153   2HG   ARG  24          1HG       ARG  24 104.057  10.704  10.704
  154   1HD   ARG  24          2HD       ARG  24 104.343  12.452  12.452
  155   2HD   ARG  24          1HD       ARG  24 103.155  11.806  11.806
  156    HE   ARG  24           HE       ARG  24 102.108  12.726  12.726
  157   1HH1  ARG  24          1HH2      ARG  24 103.231  14.114  14.114
  158   2HH1  ARG  24          2HH2      ARG  24 101.765  14.960  14.960
  159   1HH2  ARG  24          2HH1      ARG  24  99.943  13.446  13.446
  160   2HH2  ARG  24          1HH1      ARG  24  99.901  14.581  14.581
  161    H    VAL  25           H        VAL  25 102.668   5.734   5.734
  162    HA   VAL  25           HA       VAL  25 104.348   4.324   4.324
  163    HB   VAL  25           HB       VAL  25 101.360   3.924   3.924
  164   1HG1  VAL  25          1HG1      VAL  25 103.563   2.186   2.186
  165   2HG1  VAL  25          3HG1      VAL  25 102.229   1.447   1.447
  166   3HG1  VAL  25          2HG1      VAL  25 101.907   2.370   2.370
  167   1HG2  VAL  25          1HG2      VAL  25 103.525   3.902   3.902
  168   2HG2  VAL  25          3HG2      VAL  25 101.845   3.453   3.453
  169   3HG2  VAL  25          2HG2      VAL  25 103.009   2.231   2.231
  170    H    GLU  26           H        GLU  26 101.186   5.575   5.575
  171    HA   GLU  26           HA       GLU  26 101.296   4.834   4.834
  172   1HB   GLU  26          2HB       GLU  26 100.315   7.404   7.404
  173   2HB   GLU  26          1HB       GLU  26  99.826   6.823   6.823
  174   1HG   GLU  26          2HG       GLU  26  99.284   4.609   4.609
  175   2HG   GLU  26          1HG       GLU  26  99.115   5.775   5.775
  176    H    GLU  27           H        GLU  27 102.406   7.985   7.985
  177    HA   GLU  27           HA       GLU  27 103.575   9.018   9.018
  178   1HB   GLU  27          2HB       GLU  27 103.201   9.865   9.865
  179   2HB   GLU  27          1HB       GLU  27 104.896   9.403   9.403
  180   1HG   GLU  27          2HG       GLU  27 105.093  11.612  11.612
  181   2HG   GLU  27          1HG       GLU  27 105.149  10.750  10.750
  182    H    VAL  28           H        VAL  28 104.928   6.833   6.833
  183    HA   VAL  28           HA       VAL  28 107.594   6.741   6.741
  184    HB   VAL  28           HB       VAL  28 106.183   4.697   4.697
  185   1HG1  VAL  28          2HG1      VAL  28 108.872   5.031   5.031
  186   2HG1  VAL  28          1HG1      VAL  28 108.868   5.193   5.193
  187   3HG1  VAL  28          3HG1      VAL  28 108.217   3.737   3.737
  188   1HG2  VAL  28          3HG2      VAL  28 107.020   7.488   7.488
  189   2HG2  VAL  28          2HG2      VAL  28 105.836   6.485   6.485
  190   3HG2  VAL  28          1HG2      VAL  28 107.553   6.301   6.301
  191    H    ARG  29           H        ARG  29 104.941   4.301   4.301
  192    HA   ARG  29           HA       ARG  29 105.940   2.282   2.282
  193   1HB   ARG  29          2HB       ARG  29 103.346   3.516   3.516
  194   2HB   ARG  29          1HB       ARG  29 103.399   2.778   2.778
  195   1HG   ARG  29          2HG       ARG  29 102.797   0.932   0.932
  196   2HG   ARG  29          1HG       ARG  29 104.554   0.789   0.789
  197   1HD   ARG  29          2HD       ARG  29 104.666   1.555   1.555
  198   2HD   ARG  29          1HD       ARG  29 103.141   2.452   2.452
  199    HE   ARG  29           HE       ARG  29 103.389  -0.334  -0.334
  200   1HH1  ARG  29          1HH2      ARG  29 101.376   2.046   2.046
  201   2HH1  ARG  29          2HH2      ARG  29  99.957   1.055   1.055
  202   1HH2  ARG  29          2HH1      ARG  29 101.560  -1.647  -1.647
  203   2HH2  ARG  29          1HH1      ARG  29 100.058  -1.018  -1.018
  204    H    ALA  30           H        ALA  30 104.427   5.238   5.238
  205    HA   ALA  30           HA       ALA  30 105.186   4.601   4.601
  206   1HB   ALA  30          3HB       ALA  30 103.223   5.961   5.961
  207   2HB   ALA  30          2HB       ALA  30 104.300   7.187   7.187
  208   3HB   ALA  30          1HB       ALA  30 104.294   6.866   6.866
  209    H    LEU  31           H        LEU  31 106.345   7.041   7.041
  210    HA   LEU  31           HA       LEU  31 108.390   8.267   8.267
  211   1HB   LEU  31          2HB       LEU  31 107.931   7.498   7.498
  212   2HB   LEU  31          1HB       LEU  31 109.506   8.162   8.162
  213    HG   LEU  31           HG       LEU  31 106.874   9.468   9.468
  214   1HD1  LEU  31          1HD1      LEU  31 108.785  10.038  10.038
  215   2HD1  LEU  31          3HD1      LEU  31 107.462  11.098  11.098
  216   3HD1  LEU  31          2HD1      LEU  31 107.116   9.485   9.485
  217   1HD2  LEU  31          1HD2      LEU  31 109.485   9.811   9.811
  218   2HD2  LEU  31          3HD2      LEU  31 108.129  10.920  10.920
  219   3HD2  LEU  31          2HD2      LEU  31 109.249  11.142  11.142
  220    H    LEU  32           H        LEU  32 108.855   5.380   5.380
  221    HA   LEU  32           HA       LEU  32 111.515   4.748   4.748
  222   1HB   LEU  32          2HB       LEU  32 109.605   3.690   3.690
  223   2HB   LEU  32          1HB       LEU  32 109.443   2.606   2.606
  224    HG   LEU  32           HG       LEU  32 111.019   1.471   1.471
  225   1HD1  LEU  32          2HD1      LEU  32 111.971   1.902   1.902
  226   2HD1  LEU  32          1HD1      LEU  32 112.732   3.365   3.365
  227   3HD1  LEU  32          3HD1      LEU  32 113.230   1.795   1.795
  228   1HD2  LEU  32          3HD2      LEU  32 112.060   4.195   4.195
  229   2HD2  LEU  32          2HD2      LEU  32 111.289   3.000   3.000
  230   3HD2  LEU  32          1HD2      LEU  32 112.908   2.702   2.702
  231    H    GLU  33           H        GLU  33 108.575   3.629   3.629
  232    HA   GLU  33           HA       GLU  33 109.995   2.310   2.310
  233   1HB   GLU  33          2HB       GLU  33 107.236   2.994   2.994
  234   2HB   GLU  33          1HB       GLU  33 107.467   2.846   2.846
  235   1HG   GLU  33          2HG       GLU  33 108.717   0.647   0.647
  236   2HG   GLU  33          1HG       GLU  33 107.943   0.771   0.771
  237    H    ALA  34           H        ALA  34 109.198   5.611   5.611
  238    HA   ALA  34           HA       ALA  34 109.215   6.521   6.521
  239   1HB   ALA  34          2HB       ALA  34 108.158   7.446   7.446
  240   2HB   ALA  34          1HB       ALA  34 109.669   8.354   8.354
  241   3HB   ALA  34          3HB       ALA  34 108.548   8.513   8.513
  242    H    GLY  35           H        GLY  35 111.613   5.552   5.552
  243   1HA   GLY  35          2HA       GLY  35 113.917   5.516   5.516
  244   2HA   GLY  35          1HA       GLY  35 113.641   7.187   7.187
  245    H    ALA  36           H        ALA  36 112.372   6.354   6.354
  246    HA   ALA  36           HA       ALA  36 113.900   8.286   8.286
  247   1HB   ALA  36          2HB       ALA  36 111.769   6.589   6.589
  248   2HB   ALA  36          1HB       ALA  36 112.998   5.959   5.959
  249   3HB   ALA  36          3HB       ALA  36 112.493   7.646   7.646
  250    H    LEU  37           H        LEU  37 115.565   7.864   7.864
  251    HA   LEU  37           HA       LEU  37 117.482   5.777   5.777
  252   1HB   LEU  37          2HB       LEU  37 117.773   8.410   8.410
  253   2HB   LEU  37          1HB       LEU  37 118.138   7.862   7.862
  254    HG   LEU  37           HG       LEU  37 119.558   6.066   6.066
  255   1HD1  LEU  37          3HD1      LEU  37 118.876   8.079   8.079
  256   2HD1  LEU  37          2HD1      LEU  37 120.512   8.502   8.502
  257   3HD1  LEU  37          1HD1      LEU  37 120.186   6.915   6.915
  258   1HD2  LEU  37          1HD2      LEU  37 120.071   8.337   8.337
  259   2HD2  LEU  37          3HD2      LEU  37 120.999   6.849   6.849
  260   3HD2  LEU  37          2HD2      LEU  37 121.313   8.219   8.219
  261    HA   PRO  38           HA       PRO  38 116.236   3.630   3.630
  262   1HB   PRO  38          2HB       PRO  38 117.581   1.313   1.313
  263   2HB   PRO  38          1HB       PRO  38 115.990   1.699   1.699
  264   1HG   PRO  38          2HG       PRO  38 118.688   1.910   1.910
  265   2HG   PRO  38          1HG       PRO  38 117.151   1.419   1.419
  266   1HD   PRO  38          2HD       PRO  38 118.269   3.889   3.889
  267   2HD   PRO  38          1HD       PRO  38 116.524   3.574   3.574
  268    H    ASN  39           H        ASN  39 119.232   4.768   4.768
  269    HA   ASN  39           HA       ASN  39 120.512   4.095   4.095
  270   1HB   ASN  39          2HB       ASN  39 121.336   3.670   3.670
  271   2HB   ASN  39          1HB       ASN  39 122.595   4.292   4.292
  272   1HD2  ASN  39          1HD2      ASN  39 119.984   1.787   1.787
  273   2HD2  ASN  39          2HD2      ASN  39 120.959   0.625   0.625
  274    H    ALA  40           H        ALA  40 119.050   6.528   6.528
  275    HA   ALA  40           HA       ALA  40 121.011   8.599   8.599
  276   1HB   ALA  40          2HB       ALA  40 118.182   8.246   8.246
  277   2HB   ALA  40          1HB       ALA  40 118.584   9.609   9.609
  278   3HB   ALA  40          3HB       ALA  40 119.071   9.624   9.624
  279    HA   PRO  41           HA       PRO  41 122.295   9.116   9.116
  280   1HB   PRO  41          2HB       PRO  41 123.788  11.378  11.378
  281   2HB   PRO  41          1HB       PRO  41 124.352   9.766   9.766
  282   1HG   PRO  41          2HG       PRO  41 123.230  11.961  11.961
  283   2HG   PRO  41          1HG       PRO  41 124.506  10.795  10.795
  284   1HD   PRO  41          2HD       PRO  41 121.917  10.617  10.617
  285   2HD   PRO  41          1HD       PRO  41 123.022   9.236   9.236
  286    H    ASN  42           H        ASN  42 120.144   9.698   9.698
  287    HA   ASN  42           HA       ASN  42 118.924  12.263  12.263
  288   1HB   ASN  42          2HB       ASN  42 118.519   9.813   9.813
  289   2HB   ASN  42          1HB       ASN  42 118.303  11.151  11.151
  290   1HD2  ASN  42          1HD2      ASN  42 117.280  13.097  13.097
  291   2HD2  ASN  42          2HD2      ASN  42 115.749  12.566  12.566
  292    H    SER  43           H        SER  43 118.699  13.901  13.901
  293    HA   SER  43           HA       SER  43 121.363  14.609  14.609
  294   1HB   SER  43          2HB       SER  43 119.753  16.554  16.554
  295   2HB   SER  43          1HB       SER  43 120.228  16.453  16.453
  296    HG   SER  43           HG       SER  43 117.837  15.561  15.561
  297    H    TYR  44           H        TYR  44 119.622  12.295  12.295
  298    HA   TYR  44           HA       TYR  44 119.629  13.285  13.285
  299   1HB   TYR  44          2HB       TYR  44 118.009  10.984  10.984
  300   2HB   TYR  44          1HB       TYR  44 117.730  11.886  11.886
  301    HD1  TYR  44           HD2      TYR  44 117.284  14.459  14.459
  302    HD2  TYR  44           HD1      TYR  44 116.837  11.586  11.586
  303    HE1  TYR  44           HE2      TYR  44 115.811  16.033  16.033
  304    HE2  TYR  44           HE1      TYR  44 115.363  13.161  13.161
  305    HH   TYR  44           HH       TYR  44 114.343  15.139  15.139
  306    H    GLY  45           H        GLY  45 121.636  11.733  11.733
  307   1HA   GLY  45          2HA       GLY  45 123.188   9.997   9.997
  308   2HA   GLY  45          1HA       GLY  45 123.012  10.273  10.273
  309    H    ARG  46           H        ARG  46 120.211   9.415   9.415
  310    HA   ARG  46           HA       ARG  46 120.251   6.696   6.696
  311   1HB   ARG  46          2HB       ARG  46 118.316   8.895   8.895
  312   2HB   ARG  46          1HB       ARG  46 117.628   7.348   7.348
  313   1HG   ARG  46          2HG       ARG  46 117.640   6.550   6.550
  314   2HG   ARG  46          1HG       ARG  46 119.285   7.115   7.115
  315   1HD   ARG  46          2HD       ARG  46 118.574   9.051   9.051
  316   2HD   ARG  46          1HD       ARG  46 117.229   9.252   9.252
  317    HE   ARG  46           HE       ARG  46 115.870   7.911   7.911
  318   1HH1  ARG  46          2HH1      ARG  46 118.250   5.889   5.889
  319   2HH1  ARG  46          1HH1      ARG  46 118.398   5.890   5.890
  320   1HH2  ARG  46          1HH2      ARG  46 116.450   8.724   8.724
  321   2HH2  ARG  46          2HH2      ARG  46 117.375   7.489   7.489
  322    H    ARG  47           H        ARG  47 118.290   5.465   5.465
  323    HA   ARG  47           HA       ARG  47 119.332   5.329   5.329
  324   1HB   ARG  47          2HB       ARG  47 117.561   3.367   3.367
  325   2HB   ARG  47          1HB       ARG  47 118.581   3.045   3.045
  326   1HG   ARG  47          2HG       ARG  47 119.577   3.800   3.800
  327   2HG   ARG  47          1HG       ARG  47 119.627   2.184   2.184
  328   1HD   ARG  47          2HD       ARG  47 121.396   2.698   2.698
  329   2HD   ARG  47          1HD       ARG  47 120.867   4.378   4.378
  330    HE   ARG  47           HE       ARG  47 121.788   3.613   3.613
  331   1HH1  ARG  47          2HH1      ARG  47 123.031   4.486   4.486
  332   2HH1  ARG  47          1HH1      ARG  47 124.017   5.776   5.776
  333   1HH2  ARG  47          1HH2      ARG  47 122.768   5.595   5.595
  334   2HH2  ARG  47          2HH2      ARG  47 123.866   6.405   6.405
  335    HA   PRO  48           HA       PRO  48 115.536   6.730   6.730
  336   1HB   PRO  48          2HB       PRO  48 115.010   4.926   4.926
  337   2HB   PRO  48          1HB       PRO  48 116.289   6.149   6.149
  338   1HG   PRO  48          2HG       PRO  48 116.502   3.259   3.259
  339   2HG   PRO  48          1HG       PRO  48 117.548   4.240   4.240
  340   1HD   PRO  48          2HD       PRO  48 118.209   3.628   3.628
  341   2HD   PRO  48          1HD       PRO  48 118.679   5.168   5.168
  342    H    ILE  49           H        ILE  49 115.718   3.639   3.639
  343    HA   ILE  49           HA       ILE  49 112.736   3.348   3.348
  344    HB   ILE  49           HB       ILE  49 115.067   1.469   1.469
  345   1HG1  ILE  49          2HG1      ILE  49 112.916   1.772   1.772
  346   2HG1  ILE  49          1HG1      ILE  49 114.650   1.533   1.533
  347   1HG2  ILE  49          1HG2      ILE  49 113.222   1.098   1.098
  348   2HG2  ILE  49          3HG2      ILE  49 112.122   0.815   0.815
  349   3HG2  ILE  49          2HG2      ILE  49 113.484  -0.271  -0.271
  350   1HD1  ILE  49          3HD1      ILE  49 114.269  -0.774  -0.774
  351   2HD1  ILE  49          2HD1      ILE  49 112.561  -0.502  -0.502
  352   3HD1  ILE  49          1HD1      ILE  49 113.723  -0.573  -0.573
  353    H    GLN  50           H        GLN  50 115.644   3.364   3.364
  354    HA   GLN  50           HA       GLN  50 114.556   3.052   3.052
  355   1HB   GLN  50          2HB       GLN  50 116.880   4.352   4.352
  356   2HB   GLN  50          1HB       GLN  50 116.488   4.989   4.989
  357   1HG   GLN  50          2HG       GLN  50 116.236   2.235   2.235
  358   2HG   GLN  50          1HG       GLN  50 117.638   2.402   2.402
  359   1HE2  GLN  50          1HE2      GLN  50 119.406   3.911   3.911
  360   2HE2  GLN  50          2HE2      GLN  50 119.617   4.080   4.080
  361    H    VAL  51           H        VAL  51 114.113   5.712   5.712
  362    HA   VAL  51           HA       VAL  51 112.788   7.291   7.291
  363    HB   VAL  51           HB       VAL  51 114.803   8.271   8.271
  364   1HG1  VAL  51          1HG1      VAL  51 113.935   7.139   7.139
  365   2HG1  VAL  51          3HG1      VAL  51 113.140   8.699   8.699
  366   3HG1  VAL  51          2HG1      VAL  51 114.893   8.617   8.617
  367   1HG2  VAL  51          1HG2      VAL  51 112.255   9.455   9.455
  368   2HG2  VAL  51          3HG2      VAL  51 113.829  10.254  10.254
  369   3HG2  VAL  51          2HG2      VAL  51 112.879  10.147  10.147
  370    H    MET  52           H        MET  52 111.472   5.096   5.096
  371    HA   MET  52           HA       MET  52 109.680   6.570   6.570
  372   1HB   MET  52          2HB       MET  52 108.863   4.290   4.290
  373   2HB   MET  52          1HB       MET  52 110.612   4.400   4.400
  374   1HG   MET  52          2HG       MET  52 110.870   2.747   2.747
  375   2HG   MET  52          1HG       MET  52 110.002   3.686   3.686
  376   1HE   MET  52          2HE       MET  52 110.488   0.762   0.762
  377   2HE   MET  52          1HE       MET  52 109.244   0.532   0.532
  378   3HE   MET  52          3HE       MET  52 109.072  -0.217  -0.217
  379    H    MET  53           H        MET  53 109.587   7.108   7.108
  380    HA   MET  53           HA       MET  53 107.909   7.512   7.512
  381   1HB   MET  53          2HB       MET  53 106.662   7.582   7.582
  382   2HB   MET  53          1HB       MET  53 105.884   6.137   6.137
  383   1HG   MET  53          2HG       MET  53 105.419   7.495   7.495
  384   2HG   MET  53          1HG       MET  53 105.909   8.919   8.919
  385   1HE   MET  53          1HE       MET  53 103.687   6.013   6.013
  386   2HE   MET  53          3HE       MET  53 102.308   6.186   6.186
  387   3HE   MET  53          2HE       MET  53 103.868   5.647   5.647
  388    H    MET  54           H        MET  54 108.793   4.424   4.424
  389    HA   MET  54           HA       MET  54 108.485   2.242   2.242
  390   1HB   MET  54          2HB       MET  54 108.976   4.198   4.198
  391   2HB   MET  54          1HB       MET  54 108.413   2.610   2.610
  392   1HG   MET  54          2HG       MET  54 110.908   2.744   2.744
  393   2HG   MET  54          1HG       MET  54 110.218   1.514   1.514
  394   1HE   MET  54          2HE       MET  54 110.797   1.089   1.089
  395   2HE   MET  54          1HE       MET  54 111.436   2.069   2.069
  396   3HE   MET  54          3HE       MET  54 112.493   1.570   1.570
  397    H    GLY  55           H        GLY  55 106.007   3.828   3.828
  398   1HA   GLY  55          2HA       GLY  55 104.118   2.303   2.303
  399   2HA   GLY  55          1HA       GLY  55 103.771   3.950   3.950
  400    H    SER  56           H        SER  56 105.459   2.193   2.193
  401    HA   SER  56           HA       SER  56 103.023   1.125   1.125
  402   1HB   SER  56          2HB       SER  56 104.635   3.524   3.524
  403   2HB   SER  56          1HB       SER  56 104.068   2.487   2.487
  404    HG   SER  56           HG       SER  56 102.267   3.199   3.199
  405    H    ALA  57           H        ALA  57 104.041  -0.961  -0.961
  406    HA   ALA  57           HA       ALA  57 106.732  -1.596  -1.596
  407   1HB   ALA  57          1HB       ALA  57 104.098  -3.067  -3.067
  408   2HB   ALA  57          3HB       ALA  57 105.580  -3.883  -3.883
  409   3HB   ALA  57          2HB       ALA  57 105.438  -3.230  -3.230
  410    H    ARG  58           H        ARG  58 103.870  -1.209  -1.209
  411    HA   ARG  58           HA       ARG  58 104.728  -2.320  -2.320
  412   1HB   ARG  58          2HB       ARG  58 102.875  -0.253  -0.253
  413   2HB   ARG  58          1HB       ARG  58 103.410   0.007   0.007
  414   1HG   ARG  58          2HG       ARG  58 101.634  -1.414  -1.414
  415   2HG   ARG  58          1HG       ARG  58 102.918  -2.606  -2.606
  416   1HD   ARG  58          2HD       ARG  58 102.167  -3.239  -3.239
  417   2HD   ARG  58          1HD       ARG  58 101.406  -1.667  -1.667
  418    HE   ARG  58           HE       ARG  58 100.287  -3.780  -3.780
  419   1HH1  ARG  58          1HH2      ARG  58  99.542  -1.853  -1.853
  420   2HH1  ARG  58          2HH2      ARG  58  98.096  -1.169  -1.169
  421   1HH2  ARG  58          2HH1      ARG  58  98.659  -2.424  -2.424
  422   2HH2  ARG  58          1HH1      ARG  58  97.593  -1.501  -1.501
  423    H    VAL  59           H        VAL  59 105.443   0.918   0.918
  424    HA   VAL  59           HA       VAL  59 106.802   2.116   2.116
  425    HB   VAL  59           HB       VAL  59 107.470   2.066   2.066
  426   1HG1  VAL  59          3HG1      VAL  59 108.821   3.307   3.307
  427   2HG1  VAL  59          2HG1      VAL  59 108.146   4.545   4.545
  428   3HG1  VAL  59          1HG1      VAL  59 109.253   3.339   3.339
  429   1HG2  VAL  59          3HG2      VAL  59 105.139   2.819   2.819
  430   2HG2  VAL  59          2HG2      VAL  59 106.034   3.950   3.950
  431   3HG2  VAL  59          1HG2      VAL  59 105.969   4.191   4.191
  432    H    ALA  60           H        ALA  60 108.242   0.010   0.010
  433    HA   ALA  60           HA       ALA  60 110.829  -0.227  -0.227
  434   1HB   ALA  60          3HB       ALA  60 109.232  -2.064  -2.064
  435   2HB   ALA  60          2HB       ALA  60 110.965  -2.210  -2.210
  436   3HB   ALA  60          1HB       ALA  60 110.325  -0.783  -0.783
  437    H    GLU  61           H        GLU  61 107.887  -2.258  -2.258
  438    HA   GLU  61           HA       GLU  61 108.789  -4.408  -4.408
  439   1HB   GLU  61          2HB       GLU  61 106.374  -3.328  -3.328
  440   2HB   GLU  61          1HB       GLU  61 106.274  -3.212  -3.212
  441   1HG   GLU  61          2HG       GLU  61 106.884  -5.611  -5.611
  442   2HG   GLU  61          1HG       GLU  61 106.911  -5.719  -5.719
  443    H    LEU  62           H        LEU  62 108.262  -1.076  -1.076
  444    HA   LEU  62           HA       LEU  62 108.802  -1.742  -1.742
  445   1HB   LEU  62          2HB       LEU  62 107.123  -0.122  -0.122
  446   2HB   LEU  62          1HB       LEU  62 107.968   0.632   0.632
  447    HG   LEU  62           HG       LEU  62 109.785   1.212   1.212
  448   1HD1  LEU  62          1HD1      LEU  62 108.009  -0.276  -0.276
  449   2HD1  LEU  62          3HD1      LEU  62 107.967   1.395   1.395
  450   3HD1  LEU  62          2HD1      LEU  62 109.500   0.531   0.531
  451   1HD2  LEU  62          1HD2      LEU  62 107.255   2.451   2.451
  452   2HD2  LEU  62          3HD2      LEU  62 108.823   3.209   3.209
  453   3HD2  LEU  62          2HD2      LEU  62 107.755   2.890   2.890
  454    H    LEU  63           H        LEU  63 110.163   0.227   0.227
  455    HA   LEU  63           HA       LEU  63 112.579   1.043   1.043
  456   1HB   LEU  63          2HB       LEU  63 111.464   0.665   0.665
  457   2HB   LEU  63          1HB       LEU  63 113.222   0.754   0.754
  458    HG   LEU  63           HG       LEU  63 111.887   2.772   2.772
  459   1HD1  LEU  63          3HD1      LEU  63 110.727   2.293   2.293
  460   2HD1  LEU  63          2HD1      LEU  63 111.748   3.718   3.718
  461   3HD1  LEU  63          1HD1      LEU  63 110.485   3.703   3.703
  462   1HD2  LEU  63          2HD2      LEU  63 114.355   2.377   2.377
  463   2HD2  LEU  63          1HD2      LEU  63 113.777   3.938   3.938
  464   3HD2  LEU  63          3HD2      LEU  63 113.655   3.523   3.523
  465    H    LEU  64           H        LEU  64 112.048  -1.721  -1.721
  466    HA   LEU  64           HA       LEU  64 114.614  -2.931  -2.931
  467   1HB   LEU  64          2HB       LEU  64 112.256  -3.335  -3.335
  468   2HB   LEU  64          1HB       LEU  64 112.398  -4.785  -4.785
  469    HG   LEU  64           HG       LEU  64 114.886  -4.781  -4.781
  470   1HD1  LEU  64          2HD1      LEU  64 114.738  -2.500  -2.500
  471   2HD1  LEU  64          1HD1      LEU  64 113.625  -3.140  -3.140
  472   3HD1  LEU  64          3HD1      LEU  64 115.289  -3.722  -3.722
  473   1HD2  LEU  64          3HD2      LEU  64 112.905  -6.305  -6.305
  474   2HD2  LEU  64          2HD2      LEU  64 114.355  -6.263  -6.263
  475   3HD2  LEU  64          1HD2      LEU  64 112.929  -5.340  -5.340
  476    H    LEU  65           H        LEU  65 111.502  -3.556  -3.556
  477    HA   LEU  65           HA       LEU  65 112.303  -5.665  -5.665
  478   1HB   LEU  65          2HB       LEU  65 110.039  -5.120  -5.120
  479   2HB   LEU  65          1HB       LEU  65 110.361  -3.389  -3.389
  480    HG   LEU  65           HG       LEU  65 111.116  -3.469  -3.469
  481   1HD1  LEU  65          2HD1      LEU  65 111.613  -6.156  -6.156
  482   2HD1  LEU  65          1HD1      LEU  65 110.223  -6.201  -6.201
  483   3HD1  LEU  65          3HD1      LEU  65 111.701  -5.380  -5.380
  484   1HD2  LEU  65          1HD2      LEU  65 108.441  -4.544  -4.544
  485   2HD2  LEU  65          3HD2      LEU  65 108.849  -3.058  -3.058
  486   3HD2  LEU  65          2HD2      LEU  65 108.871  -4.605  -4.605
  487    H    HIS  66           H        HIS  66 112.906  -2.213  -2.213
  488    HA   HIS  66           HA       HIS  66 114.238  -2.390  -2.390
  489   1HB   HIS  66          2HB       HIS  66 113.046  -0.445  -0.445
  490   2HB   HIS  66          1HB       HIS  66 114.439   0.139   0.139
  491    HD1  HIS  66           HD1      HIS  66 110.888  -0.782  -0.782
  492    HD2  HIS  66           HD2      HIS  66 114.111   0.054   0.054
  493    HE1  HIS  66           HE1      HIS  66 109.927  -0.393  -0.393
  494    H    GLY  67           H        GLY  67 115.105  -3.000  -3.000
  495   1HA   GLY  67          2HA       GLY  67 117.212  -3.460  -3.460
  496   2HA   GLY  67          1HA       GLY  67 117.926  -2.844  -2.844
  497    H    ALA  68           H        ALA  68 116.031  -1.556  -1.556
  498    HA   ALA  68           HA       ALA  68 117.178   1.106   1.106
  499   1HB   ALA  68          3HB       ALA  68 114.951   0.516   0.516
  500   2HB   ALA  68          2HB       ALA  68 115.764  -0.324  -0.324
  501   3HB   ALA  68          1HB       ALA  68 115.937   1.423   1.423
  502    H    GLU  69           H        GLU  69 117.709   1.376   1.376
  503    HA   GLU  69           HA       GLU  69 120.372   0.001   0.001
  504   1HB   GLU  69          2HB       GLU  69 119.540   2.738   2.738
  505   2HB   GLU  69          1HB       GLU  69 120.225   2.270   2.270
  506   1HG   GLU  69          2HG       GLU  69 122.154   1.241   1.241
  507   2HG   GLU  69          1HG       GLU  69 121.529   2.228   2.228
  508    HA   PRO  70           HA       PRO  70 117.673  -1.240  -1.240
  509   1HB   PRO  70          2HB       PRO  70 117.509  -3.916  -3.916
  510   2HB   PRO  70          1HB       PRO  70 116.337  -2.733  -2.733
  511   1HG   PRO  70          2HG       PRO  70 118.658  -3.986  -3.986
  512   2HG   PRO  70          1HG       PRO  70 117.026  -3.658  -3.658
  513   1HD   PRO  70          2HD       PRO  70 119.150  -2.081  -2.081
  514   2HD   PRO  70          1HD       PRO  70 117.486  -1.467  -1.467
  515    H    ASN  71           H        ASN  71 120.720  -1.770  -1.770
  516    HA   ASN  71           HA       ASN  71 121.640  -3.571  -3.571
  517   1HB   ASN  71          2HB       ASN  71 122.361  -4.226  -4.226
  518   2HB   ASN  71          1HB       ASN  71 122.731  -2.566  -2.566
  519   1HD2  ASN  71          1HD2      ASN  71 123.669  -4.346  -4.346
  520   2HD2  ASN  71          2HD2      ASN  71 125.339  -4.164  -4.164
  521    H    CYS  72           H        CYS  72 123.224  -0.828  -0.828
  522    HA   CYS  72           HA       CYS  72 124.835   0.045   0.045
  523   1HB   CYS  72          2HB       CYS  72 123.976   0.924   0.924
  524   2HB   CYS  72          1HB       CYS  72 123.763   2.293   2.293
  525    HG   CYS  72           HG       CYS  72 126.414   1.442   1.442
  526    H    ALA  73           H        ALA  73 124.521   1.138   1.138
  527    HA   ALA  73           HA       ALA  73 121.828   2.338   2.338
  528   1HB   ALA  73          2HB       ALA  73 122.203   0.122   0.122
  529   2HB   ALA  73          1HB       ALA  73 123.651   0.760   0.760
  530   3HB   ALA  73          3HB       ALA  73 122.065   1.404   1.404
  531    H    ASP  74           H        ASP  74 123.285   2.890   2.890
  532    HA   ASP  74           HA       ASP  74 124.654   5.375   5.375
  533   1HB   ASP  74          2HB       ASP  74 122.890   4.607   4.607
  534   2HB   ASP  74          1HB       ASP  74 124.163   5.774   5.774
  535    HA   PRO  75           HA       PRO  75 128.251   3.286   3.286
  536   1HB   PRO  75          2HB       PRO  75 130.093   5.187   5.187
  537   2HB   PRO  75          1HB       PRO  75 129.393   4.042   4.042
  538   1HG   PRO  75          2HG       PRO  75 128.790   6.907   6.907
  539   2HG   PRO  75          1HG       PRO  75 128.740   5.941   5.941
  540   1HD   PRO  75          2HD       PRO  75 126.535   6.695   6.695
  541   2HD   PRO  75          1HD       PRO  75 126.562   5.404   5.404
  542    H    ALA  76           H        ALA  76 126.625   5.827   5.827
  543    HA   ALA  76           HA       ALA  76 128.700   6.446   6.446
  544   1HB   ALA  76          1HB       ALA  76 126.757   7.950   7.950
  545   2HB   ALA  76          3HB       ALA  76 126.279   7.978   7.978
  546   3HB   ALA  76          2HB       ALA  76 127.880   8.544   8.544
  547    H    THR  77           H        THR  77 125.295   5.484   5.484
  548    HA   THR  77           HA       THR  77 125.344   4.324   4.324
  549    HB   THR  77           HB       THR  77 122.704   4.874   4.874
  550    HG1  THR  77           HG1      THR  77 123.512   6.586   6.586
  551   1HG2  THR  77          2HG2      THR  77 124.218   5.133   5.133
  552   2HG2  THR  77          1HG2      THR  77 123.128   6.492   6.492
  553   3HG2  THR  77          3HG2      THR  77 122.496   4.846   4.846
  554    H    LEU  78           H        LEU  78 125.461   3.507   3.507
  555    HA   LEU  78           HA       LEU  78 124.969   1.550   1.550
  556   1HB   LEU  78          2HB       LEU  78 125.464   0.891   0.891
  557   2HB   LEU  78          1HB       LEU  78 124.387  -0.282  -0.282
  558    HG   LEU  78           HG       LEU  78 127.166   0.507   0.507
  559   1HD1  LEU  78          3HD1      LEU  78 126.740  -1.251  -1.251
  560   2HD1  LEU  78          2HD1      LEU  78 126.007  -2.231  -2.231
  561   3HD1  LEU  78          1HD1      LEU  78 127.707  -1.771  -1.771
  562   1HD2  LEU  78          2HD2      LEU  78 124.898  -0.712  -0.712
  563   2HD2  LEU  78          1HD2      LEU  78 126.256   0.241   0.241
  564   3HD2  LEU  78          3HD2      LEU  78 126.479  -1.464  -1.464
  565    H    THR  79           H        THR  79 122.665   3.344   3.344
  566    HA   THR  79           HA       THR  79 120.384   1.779   1.779
  567    HB   THR  79           HB       THR  79 120.036   4.045   4.045
  568    HG1  THR  79           HG1      THR  79 121.021   4.644   4.644
  569   1HG2  THR  79          1HG2      THR  79 118.360   2.885   2.885
  570   2HG2  THR  79          3HG2      THR  79 119.126   3.914   3.914
  571   3HG2  THR  79          2HG2      THR  79 118.322   4.640   4.640
  572    H    ARG  80           H        ARG  80 120.532  -0.199  -0.199
  573    HA   ARG  80           HA       ARG  80 120.629  -0.172  -0.172
  574   1HB   ARG  80          2HB       ARG  80 120.346  -2.058  -2.058
  575   2HB   ARG  80          1HB       ARG  80 119.448  -2.551  -2.551
  576   1HG   ARG  80          2HG       ARG  80 121.985  -1.579  -1.579
  577   2HG   ARG  80          1HG       ARG  80 122.281  -2.697  -2.697
  578   1HD   ARG  80          2HD       ARG  80 120.428  -4.128  -4.128
  579   2HD   ARG  80          1HD       ARG  80 121.148  -3.234  -3.234
  580    HE   ARG  80           HE       ARG  80 122.475  -5.294  -5.294
  581   1HH1  ARG  80          2HH1      ARG  80 122.838  -2.557  -2.557
  582   2HH1  ARG  80          1HH1      ARG  80 124.544  -2.777  -2.777
  583   1HH2  ARG  80          1HH2      ARG  80 124.727  -5.483  -5.483
  584   2HH2  ARG  80          2HH2      ARG  80 125.607  -4.424  -4.424
  585    HA   PRO  81           HA       PRO  81 116.419   0.537   0.537
  586   1HB   PRO  81          2HB       PRO  81 115.955  -1.274  -1.274
  587   2HB   PRO  81          1HB       PRO  81 116.957   0.176   0.176
  588   1HG   PRO  81          2HG       PRO  81 117.784  -2.642  -2.642
  589   2HG   PRO  81          1HG       PRO  81 118.500  -1.407  -1.407
  590   1HD   PRO  81          2HD       PRO  81 119.524  -2.097  -2.097
  591   2HD   PRO  81          1HD       PRO  81 119.727  -0.491  -0.491
  592    H    VAL  82           H        VAL  82 117.378  -2.459  -2.459
  593    HA   VAL  82           HA       VAL  82 114.787  -3.792  -3.792
  594    HB   VAL  82           HB       VAL  82 117.012  -4.194  -4.194
  595   1HG1  VAL  82          2HG1      VAL  82 114.571  -5.500  -5.500
  596   2HG1  VAL  82          1HG1      VAL  82 115.846  -6.559  -6.559
  597   3HG1  VAL  82          3HG1      VAL  82 115.844  -6.056  -6.056
  598   1HG2  VAL  82          3HG2      VAL  82 116.945  -4.913  -4.913
  599   2HG2  VAL  82          2HG2      VAL  82 118.264  -4.196  -4.196
  600   3HG2  VAL  82          1HG2      VAL  82 117.851  -5.895  -5.895
  601    H    HIS  83           H        HIS  83 116.460  -1.491  -1.491
  602    HA   HIS  83           HA       HIS  83 114.740  -1.685  -1.685
  603   1HB   HIS  83          2HB       HIS  83 116.452   0.570   0.570
  604   2HB   HIS  83          1HB       HIS  83 115.796   0.507   0.507
  605    HD2  HIS  83           HD2      HIS  83 117.630  -0.608  -0.608
  606    HE1  HIS  83           HE1      HIS  83 119.657  -3.076  -3.076
  607    HE2  HIS  83           HE2      HIS  83 119.527  -2.334  -2.334
  608    H    ASP  84           H        ASP  84 114.832   0.430   0.430
  609    HA   ASP  84           HA       ASP  84 112.761   2.234   2.234
  610   1HB   ASP  84          2HB       ASP  84 114.156   1.036   1.036
  611   2HB   ASP  84          1HB       ASP  84 112.495   1.459   1.459
  612    H    ALA  85           H        ALA  85 112.434  -1.012  -1.012
  613    HA   ALA  85           HA       ALA  85 109.608  -1.025  -1.025
  614   1HB   ALA  85          1HB       ALA  85 111.533  -2.624  -2.624
  615   2HB   ALA  85          3HB       ALA  85 111.226  -3.457  -3.457
  616   3HB   ALA  85          2HB       ALA  85 109.941  -3.308  -3.308
  617    H    ALA  86           H        ALA  86 111.365  -2.860  -2.860
  618    HA   ALA  86           HA       ALA  86 109.211  -3.303  -3.303
  619   1HB   ALA  86          2HB       ALA  86 111.956  -3.713  -3.713
  620   2HB   ALA  86          1HB       ALA  86 111.740  -2.663  -2.663
  621   3HB   ALA  86          3HB       ALA  86 110.882  -4.201  -4.201
  622    H    ARG  87           H        ARG  87 111.333  -0.432  -0.432
  623    HA   ARG  87           HA       ARG  87 110.653   1.023   1.023
  624   1HB   ARG  87          2HB       ARG  87 111.411   1.563   1.563
  625   2HB   ARG  87          1HB       ARG  87 110.558   2.906   2.906
  626   1HG   ARG  87          2HG       ARG  87 112.864   1.484   1.484
  627   2HG   ARG  87          1HG       ARG  87 113.094   2.884   2.884
  628   1HD   ARG  87          2HD       ARG  87 110.981   3.509   3.509
  629   2HD   ARG  87          1HD       ARG  87 112.362   2.881   2.881
  630    HE   ARG  87           HE       ARG  87 112.960   4.854   4.854
  631   1HH1  ARG  87          2HH1      ARG  87 111.948   4.620   4.620
  632   2HH1  ARG  87          1HH1      ARG  87 113.102   5.769   5.769
  633   1HH2  ARG  87          1HH2      ARG  87 114.705   6.140   6.140
  634   2HH2  ARG  87          2HH2      ARG  87 114.650   6.633   6.633
  635    H    GLU  88           H        GLU  88 108.725   1.033   1.033
  636    HA   GLU  88           HA       GLU  88 106.472   2.311   2.311
  637   1HB   GLU  88          2HB       GLU  88 107.587   2.501   2.501
  638   2HB   GLU  88          1HB       GLU  88 106.057   1.662   1.662
  639   1HG   GLU  88          2HG       GLU  88 106.401   4.281   4.281
  640   2HG   GLU  88          1HG       GLU  88 105.765   4.115   4.115
  641    H    GLY  89           H        GLY  89 107.451  -0.661  -0.661
  642   1HA   GLY  89          2HA       GLY  89 106.468  -2.783  -2.783
  643   2HA   GLY  89          1HA       GLY  89 104.975  -1.912  -1.912
  644    H    PHE  90           H        PHE  90 107.019  -2.204  -2.204
  645    HA   PHE  90           HA       PHE  90 104.514  -2.910  -2.910
  646   1HB   PHE  90          2HB       PHE  90 106.137  -0.740  -0.740
  647   2HB   PHE  90          1HB       PHE  90 106.906  -1.854  -1.854
  648    HD1  PHE  90           HD1      PHE  90 105.307  -3.117  -3.117
  649    HD2  PHE  90           HD2      PHE  90 104.261   0.481   0.481
  650    HE1  PHE  90           HE1      PHE  90 103.518  -2.673  -2.673
  651    HE2  PHE  90           HE2      PHE  90 102.470   0.921   0.921
  652    HZ   PHE  90           HZ       PHE  90 102.106  -0.653  -0.653
  653    H    LEU  91           H        LEU  91 104.954  -5.229  -5.229
  654    HA   LEU  91           HA       LEU  91 107.342  -6.623  -6.623
  655   1HB   LEU  91          2HB       LEU  91 104.587  -7.153  -7.153
  656   2HB   LEU  91          1HB       LEU  91 105.101  -8.216  -8.216
  657    HG   LEU  91           HG       LEU  91 106.551  -7.856  -7.856
  658   1HD1  LEU  91          1HD1      LEU  91 104.690  -9.959  -9.959
  659   2HD1  LEU  91          3HD1      LEU  91 105.867 -10.340 -10.340
  660   3HD1  LEU  91          2HD1      LEU  91 104.625  -9.123  -9.123
  661   1HD2  LEU  91          3HD2      LEU  91 107.678  -8.578  -8.578
  662   2HD2  LEU  91          2HD2      LEU  91 108.245  -9.159  -9.159
  663   3HD2  LEU  91          1HD2      LEU  91 107.149 -10.148 -10.148
  664    H    ASP  92           H        ASP  92 104.616  -5.847  -5.847
  665    HA   ASP  92           HA       ASP  92 105.271  -7.204  -7.204
  666   1HB   ASP  92          2HB       ASP  92 104.304  -4.364  -4.364
  667   2HB   ASP  92          1HB       ASP  92 104.222  -5.211  -5.211
  668    H    THR  93           H        THR  93 106.834  -4.264  -4.264
  669    HA   THR  93           HA       THR  93 108.466  -3.766  -3.766
  670    HB   THR  93           HB       THR  93 108.597  -2.944  -2.944
  671    HG1  THR  93           HG1      THR  93 106.905  -2.272  -2.272
  672   1HG2  THR  93          1HG2      THR  93 110.250  -2.031  -2.031
  673   2HG2  THR  93          3HG2      THR  93 110.131  -1.131  -1.131
  674   3HG2  THR  93          2HG2      THR  93 110.838  -2.748  -2.748
  675    H    LEU  94           H        LEU  94 108.984  -5.510  -5.510
  676    HA   LEU  94           HA       LEU  94 111.778  -6.033  -6.033
  677   1HB   LEU  94          2HB       LEU  94 109.470  -7.357  -7.357
  678   2HB   LEU  94          1HB       LEU  94 111.101  -8.015  -8.015
  679    HG   LEU  94           HG       LEU  94 111.532  -5.336  -5.336
  680   1HD1  LEU  94          2HD1      LEU  94 109.052  -4.999  -4.999
  681   2HD1  LEU  94          1HD1      LEU  94 108.994  -6.142  -6.142
  682   3HD1  LEU  94          3HD1      LEU  94 109.868  -4.621  -4.621
  683   1HD2  LEU  94          2HD2      LEU  94 112.270  -7.511  -7.511
  684   2HD2  LEU  94          1HD2      LEU  94 112.096  -6.055  -6.055
  685   3HD2  LEU  94          3HD2      LEU  94 110.832  -7.284  -7.284
  686    H    VAL  95           H        VAL  95 109.033  -8.269  -8.269
  687    HA   VAL  95           HA       VAL  95 110.336 -10.412 -10.412
  688    HB   VAL  95           HB       VAL  95 107.724  -9.118  -9.118
  689   1HG1  VAL  95          2HG1      VAL  95 108.624 -10.936 -10.936
  690   2HG1  VAL  95          1HG1      VAL  95 108.558 -12.028 -12.028
  691   3HG1  VAL  95          3HG1      VAL  95 107.074 -11.319 -11.319
  692   1HG2  VAL  95          1HG2      VAL  95 108.518 -10.200 -10.200
  693   2HG2  VAL  95          3HG2      VAL  95 106.899  -9.708  -9.708
  694   3HG2  VAL  95          2HG2      VAL  95 107.430 -11.372 -11.372
  695    H    VAL  96           H        VAL  96 109.104  -7.514  -7.514
  696    HA   VAL  96           HA       VAL  96 109.876  -8.088  -8.088
  697    HB   VAL  96           HB       VAL  96 109.759  -5.570  -5.570
  698   1HG1  VAL  96          3HG1      VAL  96 111.053  -5.857  -5.857
  699   2HG1  VAL  96          2HG1      VAL  96 109.609  -4.860  -4.860
  700   3HG1  VAL  96          1HG1      VAL  96 110.859  -4.410  -4.410
  701   1HG2  VAL  96          3HG2      VAL  96 107.857  -7.206  -7.206
  702   2HG2  VAL  96          2HG2      VAL  96 107.575  -5.679  -5.679
  703   3HG2  VAL  96          1HG2      VAL  96 107.948  -5.682  -5.682
  704    H    LEU  97           H        LEU  97 111.841  -6.369  -6.369
  705    HA   LEU  97           HA       LEU  97 114.225  -6.056  -6.056
  706   1HB   LEU  97          2HB       LEU  97 113.625  -6.599  -6.599
  707   2HB   LEU  97          1HB       LEU  97 115.257  -6.247  -6.247
  708    HG   LEU  97           HG       LEU  97 112.872  -4.445  -4.445
  709   1HD1  LEU  97          1HD1      LEU  97 114.459  -4.836  -4.836
  710   2HD1  LEU  97          3HD1      LEU  97 114.730  -3.217  -3.217
  711   3HD1  LEU  97          2HD1      LEU  97 113.095  -3.747  -3.747
  712   1HD2  LEU  97          1HD2      LEU  97 115.383  -4.581  -4.581
  713   2HD2  LEU  97          3HD2      LEU  97 114.289  -3.199  -3.199
  714   3HD2  LEU  97          2HD2      LEU  97 115.557  -3.294  -3.294
  715    H    HIS  98           H        HIS  98 113.718  -8.666  -8.666
  716    HA   HIS  98           HA       HIS  98 115.880 -10.297 -10.297
  717   1HB   HIS  98          2HB       HIS  98 114.187 -10.319 -10.319
  718   2HB   HIS  98          1HB       HIS  98 113.263 -11.405 -11.405
  719    HD1  HIS  98           HD1      HIS  98 114.273 -12.738 -12.738
  720    HD2  HIS  98           HD2      HIS  98 116.678 -12.374 -12.374
  721    HE1  HIS  98           HE1      HIS  98 116.069 -14.513 -14.513
  722    H    ARG  99           H        ARG  99 112.690  -9.896  -9.896
  723    HA   ARG  99           HA       ARG  99 112.699 -12.305 -12.305
  724   1HB   ARG  99          2HB       ARG  99 111.183  -9.746  -9.746
  725   2HB   ARG  99          1HB       ARG  99 111.047 -10.624 -10.624
  726   1HG   ARG  99          2HG       ARG  99 110.677 -12.700 -12.700
  727   2HG   ARG  99          1HG       ARG  99 110.184 -11.453 -11.453
  728   1HD   ARG  99          2HD       ARG  99 108.142 -11.620 -11.620
  729   2HD   ARG  99          1HD       ARG  99 108.873 -10.702 -10.702
  730    HE   ARG  99           HE       ARG  99 109.144 -13.677 -13.677
  731   1HH1  ARG  99          2HH1      ARG  99 106.507 -12.719 -12.719
  732   2HH1  ARG  99          1HH1      ARG  99 106.843 -12.593 -12.593
  733   1HH2  ARG  99          1HH2      ARG  99 110.285 -12.663 -12.663
  734   2HH2  ARG  99          2HH2      ARG  99 108.977 -12.557 -12.557
  735    H    ALA 100           H        ALA 100 114.448  -9.359  -9.359
  736    HA   ALA 100           HA       ALA 100 115.431 -10.139 -10.139
  737   1HB   ALA 100          3HB       ALA 100 113.462  -8.209  -8.209
  738   2HB   ALA 100          2HB       ALA 100 114.941  -7.274  -7.274
  739   3HB   ALA 100          1HB       ALA 100 114.418  -8.404  -8.404
  740    H    GLY 101           H        GLY 101 117.313 -10.648 -10.648
  741   1HA   GLY 101          2HA       GLY 101 119.392 -10.137 -10.137
  742   2HA   GLY 101          1HA       GLY 101 119.395  -8.803  -8.803
  743    H    ALA 102           H        ALA 102 119.051  -9.672  -9.672
  744    HA   ALA 102           HA       ALA 102 119.158  -6.847  -6.847
  745   1HB   ALA 102          1HB       ALA 102 116.706  -8.557  -8.557
  746   2HB   ALA 102          3HB       ALA 102 116.985  -7.353  -7.353
  747   3HB   ALA 102          2HB       ALA 102 116.844  -6.851  -6.851
  748    H    ARG 103           H        ARG 103 120.525  -6.852  -6.852
  749    HA   ARG 103           HA       ARG 103 121.113  -9.301  -9.301
  750   1HB   ARG 103          2HB       ARG 103 122.807  -7.607  -7.607
  751   2HB   ARG 103          1HB       ARG 103 121.934  -6.398  -6.398
  752   1HG   ARG 103          2HG       ARG 103 122.699  -7.202  -7.202
  753   2HG   ARG 103          1HG       ARG 103 122.569  -8.882  -8.882
  754   1HD   ARG 103          2HD       ARG 103 124.671  -7.197  -7.197
  755   2HD   ARG 103          1HD       ARG 103 124.959  -7.755  -7.755
  756    HE   ARG 103           HE       ARG 103 124.005  -9.777  -9.777
  757   1HH1  ARG 103          1HH2      ARG 103 126.757  -9.108  -9.108
  758   2HH1  ARG 103          2HH2      ARG 103 127.718 -10.139 -10.139
  759   1HH2  ARG 103          2HH1      ARG 103 125.150 -10.774 -10.774
  760   2HH2  ARG 103          1HH1      ARG 103 126.807 -11.085 -11.085
  761    H    LEU 104           H        LEU 104 120.437  -9.789  -9.789
  762    HA   LEU 104           HA       LEU 104 118.558  -7.851  -7.851
  763   1HB   LEU 104          2HB       LEU 104 118.354 -10.732 -10.732
  764   2HB   LEU 104          1HB       LEU 104 117.673 -10.274 -10.274
  765    HG   LEU 104           HG       LEU 104 116.990  -8.464  -8.464
  766   1HD1  LEU 104          1HD1      LEU 104 116.284 -11.379 -11.379
  767   2HD1  LEU 104          3HD1      LEU 104 115.089 -10.212 -10.212
  768   3HD1  LEU 104          2HD1      LEU 104 116.654 -10.328 -10.328
  769   1HD2  LEU 104          2HD2      LEU 104 116.123  -8.609  -8.609
  770   2HD2  LEU 104          1HD2      LEU 104 114.988  -8.234  -8.234
  771   3HD2  LEU 104          3HD2      LEU 104 115.071  -9.869  -9.869
  772    H    ASP 105           H        ASP 105 121.563  -9.099  -9.099
  773    HA   ASP 105           HA       ASP 105 121.323  -9.548  -9.548
  774   1HB   ASP 105          2HB       ASP 105 123.420 -10.475 -10.475
  775   2HB   ASP 105          1HB       ASP 105 123.344 -10.922 -10.922
  776    H    VAL 106           H        VAL 106 121.441  -6.873  -6.873
  777    HA   VAL 106           HA       VAL 106 124.303  -6.111  -6.111
  778    HB   VAL 106           HB       VAL 106 123.332  -5.287  -5.287
  779   1HG1  VAL 106          3HG1      VAL 106 121.021  -4.938  -4.938
  780   2HG1  VAL 106          2HG1      VAL 106 121.401  -3.437  -3.437
  781   3HG1  VAL 106          1HG1      VAL 106 121.115  -4.915  -4.915
  782   1HG2  VAL 106          1HG2      VAL 106 124.818  -3.808  -3.808
  783   2HG2  VAL 106          3HG2      VAL 106 123.862  -2.981  -2.981
  784   3HG2  VAL 106          2HG2      VAL 106 123.336  -2.971  -2.971
  785    H    ARG 107           H        ARG 107 124.417  -3.970  -3.970
  786    HA   ARG 107           HA       ARG 107 122.290  -3.869  -3.869
  787   1HB   ARG 107          2HB       ARG 107 125.250  -4.270  -4.270
  788   2HB   ARG 107          1HB       ARG 107 124.516  -3.287  -3.287
  789   1HG   ARG 107          2HG       ARG 107 122.813  -5.192  -5.192
  790   2HG   ARG 107          1HG       ARG 107 123.920  -6.160  -6.160
  791   1HD   ARG 107          2HD       ARG 107 124.772  -4.693  -4.693
  792   2HD   ARG 107          1HD       ARG 107 124.309  -6.408  -6.408
  793    HE   ARG 107           HE       ARG 107 126.132  -6.662  -6.662
  794   1HH1  ARG 107          2HH1      ARG 107 126.659  -5.464  -5.464
  795   2HH1  ARG 107          1HH1      ARG 107 128.129  -4.620  -4.620
  796   1HH2  ARG 107          1HH2      ARG 107 127.807  -4.974  -4.974
  797   2HH2  ARG 107          2HH2      ARG 107 128.783  -4.351  -4.351
  798    H    ASP 108           H        ASP 108 121.807  -1.742  -1.742
  799    HA   ASP 108           HA       ASP 108 122.494   0.452   0.452
  800   1HB   ASP 108          2HB       ASP 108 120.667  -0.174  -0.174
  801   2HB   ASP 108          1HB       ASP 108 121.524   1.273   1.273
  802    H    ALA 109           H        ALA 109 124.971  -0.362  -0.362
  803    HA   ALA 109           HA       ALA 109 127.053   0.233   0.233
  804   1HB   ALA 109          1HB       ALA 109 125.339   2.633   2.633
  805   2HB   ALA 109          3HB       ALA 109 126.771   2.835   2.835
  806   3HB   ALA 109          2HB       ALA 109 126.941   2.320   2.320
  807    H    TRP 110           H        TRP 110 125.353   2.487   2.487
  808    HA   TRP 110           HA       TRP 110 126.179   0.809   0.809
  809   1HB   TRP 110          2HB       TRP 110 126.546   2.882   2.882
  810   2HB   TRP 110          1HB       TRP 110 127.226   3.089   3.089
  811    HD1  TRP 110           HD1      TRP 110 124.004   3.869   3.869
  812    HE1  TRP 110           HE1      TRP 110 122.931   5.994   5.994
  813    HE3  TRP 110           HE3      TRP 110 127.150   4.699   4.699
  814    HZ2  TRP 110           HZ2      TRP 110 123.351   7.807   7.807
  815    HZ3  TRP 110           HZ3      TRP 110 126.780   6.629   6.629
  816    HH2  TRP 110           HH2      TRP 110 124.892   8.187   8.187
  817    H    GLY 111           H        GLY 111 123.447   1.676   1.676
  818   1HA   GLY 111          2HA       GLY 111 121.661   2.213   2.213
  819   2HA   GLY 111          1HA       GLY 111 121.182   1.908   1.908
  820    H    ARG 112           H        ARG 112 121.198  -0.333  -0.333
  821    HA   ARG 112           HA       ARG 112 121.638  -2.644  -2.644
  822   1HB   ARG 112          2HB       ARG 112 119.338  -1.072  -1.072
  823   2HB   ARG 112          1HB       ARG 112 118.828  -2.677  -2.677
  824   1HG   ARG 112          2HG       ARG 112 120.062  -3.768  -3.768
  825   2HG   ARG 112          1HG       ARG 112 121.220  -2.446  -2.446
  826   1HD   ARG 112          2HD       ARG 112 119.722  -1.143  -1.143
  827   2HD   ARG 112          1HD       ARG 112 118.324  -2.121  -2.121
  828    HE   ARG 112           HE       ARG 112 120.147  -3.905  -3.905
  829   1HH1  ARG 112          2HH1      ARG 112 117.359  -2.284  -2.284
  830   2HH1  ARG 112          1HH1      ARG 112 117.593  -2.223  -2.223
  831   1HH2  ARG 112          1HH2      ARG 112 120.870  -3.340  -3.340
  832   2HH2  ARG 112          2HH2      ARG 112 119.580  -2.814  -2.814
  833    H    LEU 113           H        LEU 113 119.655  -4.369  -4.369
  834    HA   LEU 113           HA       LEU 113 119.958  -4.513  -4.513
  835   1HB   LEU 113          2HB       LEU 113 119.488  -6.240  -6.240
  836   2HB   LEU 113          1HB       LEU 113 118.129  -6.441  -6.441
  837    HG   LEU 113           HG       LEU 113 120.200  -6.392  -6.392
  838   1HD1  LEU 113          3HD1      LEU 113 121.529  -6.533  -6.533
  839   2HD1  LEU 113          2HD1      LEU 113 121.383  -8.237  -8.237
  840   3HD1  LEU 113          1HD1      LEU 113 122.170  -7.114  -7.114
  841   1HD2  LEU 113          1HD2      LEU 113 118.933  -8.695  -8.695
  842   2HD2  LEU 113          3HD2      LEU 113 118.546  -8.094  -8.094
  843   3HD2  LEU 113          2HD2      LEU 113 120.061  -8.952  -8.952
  844    HA   PRO 114           HA       PRO 114 116.046  -2.897  -2.897
  845   1HB   PRO 114          2HB       PRO 114 115.210  -4.640  -4.640
  846   2HB   PRO 114          1HB       PRO 114 116.511  -3.459  -3.459
  847   1HG   PRO 114          2HG       PRO 114 116.678  -6.375  -6.375
  848   2HG   PRO 114          1HG       PRO 114 117.693  -5.355  -5.355
  849   1HD   PRO 114          2HD       PRO 114 118.416  -6.217  -6.217
  850   2HD   PRO 114          1HD       PRO 114 119.059  -4.750  -4.750
  851    H    VAL 115           H        VAL 115 116.078  -6.389  -6.389
  852    HA   VAL 115           HA       VAL 115 113.239  -6.683  -6.683
  853    HB   VAL 115           HB       VAL 115 115.024  -8.459  -8.459
  854   1HG1  VAL 115          3HG1      VAL 115 116.331  -7.424  -7.424
  855   2HG1  VAL 115          2HG1      VAL 115 115.383  -8.641  -8.641
  856   3HG1  VAL 115          1HG1      VAL 115 116.474  -9.124  -9.124
  857   1HG2  VAL 115          3HG2      VAL 115 112.698  -8.975  -8.975
  858   2HG2  VAL 115          2HG2      VAL 115 113.832 -10.126 -10.126
  859   3HG2  VAL 115          1HG2      VAL 115 113.149  -8.841  -8.841
  860    H    ASP 116           H        ASP 116 115.867  -5.603  -5.603
  861    HA   ASP 116           HA       ASP 116 114.411  -5.853  -5.853
  862   1HB   ASP 116          2HB       ASP 116 116.983  -4.929  -4.929
  863   2HB   ASP 116          1HB       ASP 116 116.386  -3.888  -3.888
  864    H    LEU 117           H        LEU 117 115.200  -3.060  -3.060
  865    HA   LEU 117           HA       LEU 117 113.790  -1.049  -1.049
  866   1HB   LEU 117          2HB       LEU 117 115.230  -1.337  -1.337
  867   2HB   LEU 117          1HB       LEU 117 113.621  -0.885  -0.885
  868    HG   LEU 117           HG       LEU 117 115.002   0.622   0.622
  869   1HD1  LEU 117          2HD1      LEU 117 115.137   1.116   1.116
  870   2HD1  LEU 117          1HD1      LEU 117 115.655   2.270   2.270
  871   3HD1  LEU 117          3HD1      LEU 117 116.492   0.727   0.727
  872   1HD2  LEU 117          2HD2      LEU 117 112.420   0.687   0.687
  873   2HD2  LEU 117          1HD2      LEU 117 113.182   1.968   1.968
  874   3HD2  LEU 117          3HD2      LEU 117 113.223   2.025   2.025
  875    H    ALA 118           H        ALA 118 112.602  -3.646  -3.646
  876    HA   ALA 118           HA       ALA 118 109.983  -2.523  -2.523
  877   1HB   ALA 118          1HB       ALA 118 111.339  -5.203  -5.203
  878   2HB   ALA 118          3HB       ALA 118 109.607  -5.067  -5.067
  879   3HB   ALA 118          2HB       ALA 118 110.756  -4.174  -4.174
  880    H    GLU 119           H        GLU 119 110.865  -5.340  -5.340
  881    HA   GLU 119           HA       GLU 119 108.437  -5.708  -5.708
  882   1HB   GLU 119          2HB       GLU 119 111.279  -6.284  -6.284
  883   2HB   GLU 119          1HB       GLU 119 110.398  -6.163  -6.163
  884   1HG   GLU 119          2HG       GLU 119 109.009  -7.689  -7.689
  885   2HG   GLU 119          1HG       GLU 119 110.501  -8.422  -8.422
  886    H    GLU 120           H        GLU 120 110.734  -3.103  -3.103
  887    HA   GLU 120           HA       GLU 120 109.647  -2.241  -2.241
  888   1HB   GLU 120          2HB       GLU 120 111.902  -1.741  -1.741
  889   2HB   GLU 120          1HB       GLU 120 111.164  -0.209  -0.209
  890   1HG   GLU 120          2HG       GLU 120 111.655  -2.316  -2.316
  891   2HG   GLU 120          1HG       GLU 120 112.983  -1.282  -1.282
  892    H    LEU 121           H        LEU 121 109.360  -1.273  -1.273
  893    HA   LEU 121           HA       LEU 121 107.619   0.999   0.999
  894   1HB   LEU 121          2HB       LEU 121 108.869  -0.218  -0.218
  895   2HB   LEU 121          1HB       LEU 121 107.553   0.933   0.933
  896    HG   LEU 121           HG       LEU 121 109.995   1.830   1.830
  897   1HD1  LEU 121          3HD1      LEU 121 107.547   2.949   2.949
  898   2HD1  LEU 121          2HD1      LEU 121 108.537   3.419   3.419
  899   3HD1  LEU 121          1HD1      LEU 121 109.044   3.846   3.846
  900   1HD2  LEU 121          3HD2      LEU 121 109.511   1.511   1.511
  901   2HD2  LEU 121          2HD2      LEU 121 110.735   0.660   0.660
  902   3HD2  LEU 121          1HD2      LEU 121 110.841   2.408   2.408
  903    H    GLY 122           H        GLY 122 107.020  -2.208  -2.208
  904   1HA   GLY 122          2HA       GLY 122 104.912  -3.276  -3.276
  905   2HA   GLY 122          1HA       GLY 122 104.165  -1.820  -1.820
  906    H    HIS 123           H        HIS 123 106.853  -3.256  -3.256
  907    HA   HIS 123           HA       HIS 123 104.953  -3.944  -3.944
  908   1HB   HIS 123          2HB       HIS 123 107.984  -3.724  -3.724
  909   2HB   HIS 123          1HB       HIS 123 106.957  -3.799  -3.799
  910    HD1  HIS 123           HD1      HIS 123 104.721  -1.846  -1.846
  911    HD2  HIS 123           HD2      HIS 123 108.810  -1.038  -1.038
  912    HE1  HIS 123           HE1      HIS 123 104.953   0.674   0.674
  913    H    ARG 124           H        ARG 124 104.985  -5.681  -5.681
  914    HA   ARG 124           HA       ARG 124 106.689  -7.858  -7.858
  915   1HB   ARG 124          2HB       ARG 124 103.979  -7.180  -7.180
  916   2HB   ARG 124          1HB       ARG 124 103.995  -8.822  -8.822
  917   1HG   ARG 124          2HG       ARG 124 106.050  -9.149  -9.149
  918   2HG   ARG 124          1HG       ARG 124 105.420  -7.721  -7.721
  919   1HD   ARG 124          2HD       ARG 124 103.859  -8.993  -8.993
  920   2HD   ARG 124          1HD       ARG 124 103.234  -9.522  -9.522
  921    HE   ARG 124           HE       ARG 124 104.569 -11.481 -11.481
  922   1HH1  ARG 124          1HH2      ARG 124 104.414 -10.066 -10.066
  923   2HH1  ARG 124          2HH2      ARG 124 105.908 -10.704 -10.704
  924   1HH2  ARG 124          2HH1      ARG 124 106.938 -11.923 -11.923
  925   2HH2  ARG 124          1HH1      ARG 124 107.332 -11.754 -11.754
  926    H    ASP 125           H        ASP 125 104.078  -7.358  -7.358
  927    HA   ASP 125           HA       ASP 125 104.297  -9.840  -9.840
  928   1HB   ASP 125          2HB       ASP 125 103.577  -7.045  -7.045
  929   2HB   ASP 125          1HB       ASP 125 103.222  -8.529  -8.529
  930    H    VAL 126           H        VAL 126 106.099  -6.789  -6.789
  931    HA   VAL 126           HA       VAL 126 107.661  -7.838  -7.838
  932    HB   VAL 126           HB       VAL 126 108.246  -5.361  -5.361
  933   1HG1  VAL 126          1HG1      VAL 126 109.048  -6.516  -6.516
  934   2HG1  VAL 126          3HG1      VAL 126 108.561  -4.825  -4.825
  935   3HG1  VAL 126          2HG1      VAL 126 109.856  -5.303  -5.303
  936   1HG2  VAL 126          1HG2      VAL 126 105.882  -5.989  -5.989
  937   2HG2  VAL 126          3HG2      VAL 126 106.110  -4.705  -4.705
  938   3HG2  VAL 126          2HG2      VAL 126 106.705  -4.500  -4.500
  939    H    ALA 127           H        ALA 127 108.105  -7.260  -7.260
  940    HA   ALA 127           HA       ALA 127 110.888  -7.869  -7.869
  941   1HB   ALA 127          2HB       ALA 127 108.480  -8.020  -8.020
  942   2HB   ALA 127          1HB       ALA 127 110.050  -8.577  -8.577
  943   3HB   ALA 127          3HB       ALA 127 109.841  -6.902  -6.902
  944    H    ARG 128           H        ARG 128 108.096  -9.893  -9.893
  945    HA   ARG 128           HA       ARG 128 109.166 -12.397 -12.397
  946   1HB   ARG 128          2HB       ARG 128 106.800 -11.339 -11.339
  947   2HB   ARG 128          1HB       ARG 128 107.318 -12.623 -12.623
  948   1HG   ARG 128          2HG       ARG 128 107.644 -14.025 -14.025
  949   2HG   ARG 128          1HG       ARG 128 106.629 -12.800 -12.800
  950   1HD   ARG 128          2HD       ARG 128 104.887 -13.209 -13.209
  951   2HD   ARG 128          1HD       ARG 128 105.883 -14.548 -14.548
  952    HE   ARG 128           HE       ARG 128 104.403 -14.526 -14.526
  953   1HH1  ARG 128          2HH1      ARG 128 105.152 -16.682 -16.682
  954   2HH1  ARG 128          1HH1      ARG 128 106.006 -17.807 -17.807
  955   1HH2  ARG 128          1HH2      ARG 128 106.282 -15.621 -15.621
  956   2HH2  ARG 128          2HH2      ARG 128 106.635 -17.211 -17.211
  957    H    TYR 129           H        TYR 129 108.503 -11.589 -11.589
  958    HA   TYR 129           HA       TYR 129 110.208 -13.513 -13.513
  959   1HB   TYR 129          2HB       TYR 129 108.428 -11.914 -11.914
  960   2HB   TYR 129          1HB       TYR 129 109.753 -10.766 -10.766
  961    HD1  TYR 129           HD1      TYR 129 110.214 -14.442 -14.442
  962    HD2  TYR 129           HD2      TYR 129 109.773 -10.713 -10.713
  963    HE1  TYR 129           HE1      TYR 129 110.929 -15.536 -15.536
  964    HE2  TYR 129           HE2      TYR 129 110.490 -11.816 -11.816
  965    HH   TYR 129           HH       TYR 129 111.800 -15.037 -15.037
  966    H    LEU 130           H        LEU 130 110.934 -10.110 -10.110
  967    HA   LEU 130           HA       LEU 130 113.562  -9.910  -9.910
  968   1HB   LEU 130          2HB       LEU 130 112.020  -8.798  -8.798
  969   2HB   LEU 130          1HB       LEU 130 113.750  -8.466  -8.466
  970    HG   LEU 130           HG       LEU 130 111.704  -7.881  -7.881
  971   1HD1  LEU 130          2HD1      LEU 130 112.997  -6.278  -6.278
  972   2HD1  LEU 130          1HD1      LEU 130 112.833  -5.506  -5.506
  973   3HD1  LEU 130          3HD1      LEU 130 111.404  -6.097  -6.097
  974   1HD2  LEU 130          2HD2      LEU 130 114.705  -7.805  -7.805
  975   2HD2  LEU 130          1HD2      LEU 130 113.635  -8.296  -8.296
  976   3HD2  LEU 130          3HD2      LEU 130 113.850  -6.586  -6.586
  977    H    ARG 131           H        ARG 131 112.591 -10.981 -10.981
  978    HA   ARG 131           HA       ARG 131 115.129 -11.796 -11.796
  979   1HB   ARG 131          2HB       ARG 131 112.714 -11.656 -11.656
  980   2HB   ARG 131          1HB       ARG 131 112.614 -13.347 -13.347
  981   1HG   ARG 131          2HG       ARG 131 115.103 -12.530 -12.530
  982   2HG   ARG 131          1HG       ARG 131 113.634 -12.571 -12.571
  983   1HD   ARG 131          2HD       ARG 131 113.207 -14.906 -14.906
  984   2HD   ARG 131          1HD       ARG 131 114.740 -14.863 -14.863
  985    HE   ARG 131           HE       ARG 131 115.833 -15.180 -15.180
  986   1HH1  ARG 131          1HH2      ARG 131 112.782 -15.517 -15.517
  987   2HH1  ARG 131          2HH2      ARG 131 112.891 -14.642 -14.642
  988   1HH2  ARG 131          2HH1      ARG 131 115.979 -13.246 -13.246
  989   2HH2  ARG 131          1HH1      ARG 131 114.701 -13.355 -13.355
  990    H    ALA 132           H        ALA 132 113.028 -13.278 -13.278
  991    HA   ALA 132           HA       ALA 132 114.252 -15.927 -15.927
  992   1HB   ALA 132          3HB       ALA 132 111.890 -14.937 -14.937
  993   2HB   ALA 132          2HB       ALA 132 112.747 -14.938 -14.938
  994   3HB   ALA 132          1HB       ALA 132 112.551 -16.442 -16.442
  995    H    ALA 133           H        ALA 133 114.253 -13.267 -13.267
  996    HA   ALA 133           HA       ALA 133 116.508 -14.474 -14.474
  997   1HB   ALA 133          2HB       ALA 133 114.328 -13.143 -13.143
  998   2HB   ALA 133          1HB       ALA 133 115.400 -11.759 -11.759
  999   3HB   ALA 133          3HB       ALA 133 115.830 -13.041 -13.041
 1000    H    ALA 134           H        ALA 134 116.201 -12.382 -12.382
 1001    HA   ALA 134           HA       ALA 134 118.769 -10.988 -10.988
 1002   1HB   ALA 134          1HB       ALA 134 116.688  -9.675  -9.675
 1003   2HB   ALA 134          3HB       ALA 134 116.720 -10.414 -10.414
 1004   3HB   ALA 134          2HB       ALA 134 118.037  -9.359  -9.359
 1005    H    GLY 135           H        GLY 135 117.186 -13.113 -13.113
 1006   1HA   GLY 135          2HA       GLY 135 119.364 -13.025 -13.025
 1007   2HA   GLY 135          1HA       GLY 135 118.057 -14.211 -14.211
 1008    H    GLY 136           H        GLY 136 121.327 -13.573 -13.573
 1009   1HA   GLY 136          2HA       GLY 136 121.415 -16.214 -16.214
 1010   2HA   GLY 136          1HA       GLY 136 122.545 -14.897 -14.897
 1011    H    THR 137           H        THR 137 121.592 -17.330 -17.330
 1012    HA   THR 137           HA       THR 137 123.572 -16.828 -16.828
 1013    HB   THR 137           HB       THR 137 123.205 -19.557 -19.557
 1014    HG1  THR 137           HG1      THR 137 121.165 -19.930 -19.930
 1015   1HG2  THR 137          3HG2      THR 137 122.733 -17.971 -17.971
 1016   2HG2  THR 137          2HG2      THR 137 121.243 -17.497 -17.497
 1017   3HG2  THR 137          1HG2      THR 137 121.437 -19.147 -19.147
 1018    H    ARG 138           H        ARG 138 125.719 -16.590 -16.590
 1019    HA   ARG 138           HA       ARG 138 126.977 -18.915 -18.915
 1020   1HB   ARG 138          2HB       ARG 138 126.530 -16.201 -16.201
 1021   2HB   ARG 138          1HB       ARG 138 128.229 -16.672 -16.672
 1022   1HG   ARG 138          2HG       ARG 138 127.033 -18.954 -18.954
 1023   2HG   ARG 138          1HG       ARG 138 125.924 -17.729 -17.729
 1024   1HD   ARG 138          2HD       ARG 138 128.223 -16.540 -16.540
 1025   2HD   ARG 138          1HD       ARG 138 128.778 -18.226 -18.226
 1026    HE   ARG 138           HE       ARG 138 126.186 -17.822 -17.822
 1027   1HH1  ARG 138          1HH2      ARG 138 128.503 -19.826 -19.826
 1028   2HH1  ARG 138          2HH2      ARG 138 128.975 -19.310 -19.310
 1029   1HH2  ARG 138          2HH1      ARG 138 127.271 -16.291 -16.291
 1030   2HH2  ARG 138          1HH1      ARG 138 128.281 -17.303 -17.303
 1031    H    GLY 139           H        GLY 139 127.634 -19.121 -19.121
 1032   1HA   GLY 139          2HA       GLY 139 130.331 -18.263 -18.263
 1033   2HA   GLY 139          1HA       GLY 139 129.286 -17.227 -17.227
 1034    H    SER 140           H        SER 140 129.536 -17.950 -17.950
 1035    HA   SER 140           HA       SER 140 129.660 -20.880 -20.880
 1036   1HB   SER 140          2HB       SER 140 129.809 -18.905 -18.905
 1037   2HB   SER 140          1HB       SER 140 130.851 -20.281 -20.281
 1038    HG   SER 140           HG       SER 140 131.068 -17.651 -17.651
 1039    H    ASN 141           H        ASN 141 127.161 -20.231 -20.231
 1040    HA   ASN 141           HA       ASN 141 124.871 -20.242 -20.242
 1041   1HB   ASN 141          2HB       ASN 141 126.443 -21.926 -21.926
 1042   2HB   ASN 141          1HB       ASN 141 124.824 -21.517 -21.517
 1043   1HD2  ASN 141          1HD2      ASN 141 126.122 -24.075 -24.075
 1044   2HD2  ASN 141          2HD2      ASN 141 124.983 -24.514 -24.514
 1045    H    HIS 142           H        HIS 142 126.128 -17.770 -17.770
 1046    HA   HIS 142           HA       HIS 142 125.778 -16.926 -16.926
 1047   1HB   HIS 142          2HB       HIS 142 125.732 -14.674 -14.674
 1048   2HB   HIS 142          1HB       HIS 142 126.930 -15.677 -15.677
 1049    HD1  HIS 142           HD1      HIS 142 126.299 -16.586 -16.586
 1050    HD2  HIS 142           HD2      HIS 142 123.577 -13.851 -13.851
 1051    HE1  HIS 142           HE1      HIS 142 124.812 -15.867 -15.867
 1052    H    ALA 143           H        ALA 143 123.878 -17.203 -17.203
 1053    HA   ALA 143           HA       ALA 143 121.559 -17.184 -17.184
 1054   1HB   ALA 143          3HB       ALA 143 122.235 -14.777 -14.777
 1055   2HB   ALA 143          2HB       ALA 143 121.325 -15.192 -15.192
 1056   3HB   ALA 143          1HB       ALA 143 120.522 -15.182 -15.182
 1057    H    ARG 144           H        ARG 144 119.410 -16.688 -16.688
 1058    HA   ARG 144           HA       ARG 144 118.093 -17.888 -17.888
 1059   1HB   ARG 144          2HB       ARG 144 120.637 -17.363 -17.363
 1060   2HB   ARG 144          1HB       ARG 144 120.346 -19.062 -19.062
 1061   1HG   ARG 144          2HG       ARG 144 117.914 -17.666 -17.666
 1062   2HG   ARG 144          1HG       ARG 144 119.213 -16.739 -16.739
 1063   1HD   ARG 144          2HD       ARG 144 119.383 -18.264 -18.264
 1064   2HD   ARG 144          1HD       ARG 144 119.629 -19.567 -19.567
 1065    HE   ARG 144           HE       ARG 144 116.879 -18.846 -18.846
 1066   1HH1  ARG 144          1HH2      ARG 144 117.853 -18.849 -18.849
 1067   2HH1  ARG 144          2HH2      ARG 144 117.324 -20.428 -20.428
 1068   1HH2  ARG 144          2HH1      ARG 144 116.787 -21.509 -21.509
 1069   2HH2  ARG 144          1HH1      ARG 144 116.729 -21.938 -21.938
 1070    H    ILE 145           H        ILE 145 118.108 -19.283 -19.283
 1071    HA   ILE 145           HA       ILE 145 117.872 -21.455 -21.455
 1072    HB   ILE 145           HB       ILE 145 118.197 -22.265 -22.265
 1073   1HG1  ILE 145          2HG1      ILE 145 116.527 -20.460 -20.460
 1074   2HG1  ILE 145          1HG1      ILE 145 115.737 -21.995 -21.995
 1075   1HG2  ILE 145          1HG2      ILE 145 117.325 -23.608 -23.608
 1076   2HG2  ILE 145          3HG2      ILE 145 116.284 -23.870 -23.870
 1077   3HG2  ILE 145          2HG2      ILE 145 117.994 -24.293 -24.293
 1078   1HD1  ILE 145          3HD1      ILE 145 115.310 -22.269 -22.269
 1079   2HD1  ILE 145          2HD1      ILE 145 115.951 -20.646 -20.646
 1080   3HD1  ILE 145          1HD1      ILE 145 114.485 -20.880 -20.880
 1081    H    ASP 146           H        ASP 146 119.161 -23.386 -23.386
 1082    HA   ASP 146           HA       ASP 146 121.200 -24.510 -24.510
 1083   1HB   ASP 146          2HB       ASP 146 121.024 -23.796 -23.796
 1084   2HB   ASP 146          1HB       ASP 146 122.707 -23.731 -23.731
 1085    H    ALA 147           H        ALA 147 121.470 -22.754 -22.754
 1086    HA   ALA 147           HA       ALA 147 123.212 -20.482 -20.482
 1087   1HB   ALA 147          2HB       ALA 147 121.448 -20.728 -20.728
 1088   2HB   ALA 147          1HB       ALA 147 122.558 -21.827 -21.827
 1089   3HB   ALA 147          3HB       ALA 147 123.011 -20.140 -20.140
 1090    H    ALA 148           H        ALA 148 125.436 -20.535 -20.535
 1091    HA   ALA 148           HA       ALA 148 127.045 -22.789 -22.789
 1092   1HB   ALA 148          3HB       ALA 148 127.335 -19.923 -19.923
 1093   2HB   ALA 148          2HB       ALA 148 128.626 -20.846 -20.846
 1094   3HB   ALA 148          1HB       ALA 148 128.343 -21.000 -21.000
 1095    H    GLU 149           H        GLU 149 127.399 -24.406 -24.406
 1096    HA   GLU 149           HA       GLU 149 126.617 -24.366 -24.366
 1097   1HB   GLU 149          2HB       GLU 149 127.537 -26.192 -26.192
 1098   2HB   GLU 149          1HB       GLU 149 128.911 -26.083 -26.083
 1099   1HG   GLU 149          2HG       GLU 149 127.687 -27.675 -27.675
 1100   2HG   GLU 149          1HG       GLU 149 126.949 -26.229 -26.229
 1101    H    GLY 150           H        GLY 150 128.185 -24.594 -24.594
 1102   1HA   GLY 150          2HA       GLY 150 130.087 -23.897 -23.897
 1103   2HA   GLY 150          1HA       GLY 150 130.816 -23.350 -23.350
 1104    HA   PRO 151           HA       PRO 151 128.078 -19.927 -19.927
 1105   1HB   PRO 151          2HB       PRO 151 128.924 -19.534 -19.534
 1106   2HB   PRO 151          1HB       PRO 151 127.551 -20.577 -20.577
 1107   1HG   PRO 151          2HG       PRO 151 130.361 -21.318 -21.318
 1108   2HG   PRO 151          1HG       PRO 151 128.850 -22.109 -22.109
 1109   1HD   PRO 151          2HD       PRO 151 130.434 -23.029 -23.029
 1110   2HD   PRO 151          1HD       PRO 151 128.669 -23.249 -23.249
 1111    H    SER 152           H        SER 152 128.954 -18.008 -18.008
 1112    HA   SER 152           HA       SER 152 131.775 -17.358 -17.358
 1113   1HB   SER 152          2HB       SER 152 131.379 -18.429 -18.429
 1114   2HB   SER 152          1HB       SER 152 130.633 -16.892 -16.892
 1115    HG   SER 152           HG       SER 152 132.822 -16.826 -16.826
 1116    H    ASP 153           H        ASP 153 128.568 -16.377 -16.377
 1117    HA   ASP 153           HA       ASP 153 129.168 -13.508 -13.508
 1118   1HB   ASP 153          2HB       ASP 153 126.751 -13.295 -13.295
 1119   2HB   ASP 153          1HB       ASP 153 127.187 -14.712 -14.712
 1120    H    ILE 154           H        ILE 154 130.576 -13.929 -13.929
 1121    HA   ILE 154           HA       ILE 154 128.821 -13.418 -13.418
 1122    HB   ILE 154           HB       ILE 154 131.670 -14.458 -14.458
 1123   1HG1  ILE 154          2HG1      ILE 154 129.855 -16.004 -16.004
 1124   2HG1  ILE 154          1HG1      ILE 154 130.746 -16.631 -16.631
 1125   1HG2  ILE 154          1HG2      ILE 154 129.823 -14.029 -14.029
 1126   2HG2  ILE 154          3HG2      ILE 154 131.244 -15.070 -15.070
 1127   3HG2  ILE 154          2HG2      ILE 154 131.430 -13.347 -13.347
 1128   1HD1  ILE 154          3HD1      ILE 154 128.160 -15.098 -15.098
 1129   2HD1  ILE 154          2HD1      ILE 154 128.193 -16.847 -16.847
 1130   3HD1  ILE 154          1HD1      ILE 154 128.973 -16.117 -16.117
 1131    HA   PRO 155           HA       PRO 155 131.156  -9.514  -9.514
 1132   1HB   PRO 155          2HB       PRO 155 129.001  -7.835  -7.835
 1133   2HB   PRO 155          1HB       PRO 155 129.514  -8.689  -8.689
 1134   1HG   PRO 155          2HG       PRO 155 127.269  -9.279  -9.279
 1135   2HG   PRO 155          1HG       PRO 155 127.388  -9.504  -9.504
 1136   1HD   PRO 155          2HD       PRO 155 127.647 -11.515 -11.515
 1137   2HD   PRO 155          1HD       PRO 155 128.244 -11.589 -11.589
 1138    H    ASP 156           HN       ASP 156 132.130  -8.913  -8.913
 1139    HA   ASP 156           HA       ASP 156 132.381  -8.304  -8.304
 1140   1HB   ASP 156          2HB       ASP 156 131.256  -6.346  -6.346
 1141   2HB   ASP 156          1HB       ASP 156 129.684  -7.114  -7.114

  Start of MODEL   11
    1   1H    MET   1          1H        MET   1 103.794  13.592  13.592
    2   2H    MET   1          3H        MET   1 102.745  12.968  12.968
    3   3H    MET   1          2H        MET   1 102.141  13.420  13.420
    4    HA   MET   1           HA       MET   1 101.568  15.333  15.333
    5   1HB   MET   1          2HB       MET   1 102.657  15.958  15.958
    6   2HB   MET   1          1HB       MET   1 102.039  14.306  14.306
    7   1HG   MET   1          2HG       MET   1 104.595  13.965  13.965
    8   2HG   MET   1          1HG       MET   1 104.813  15.272  15.272
    9   1HE   MET   1          1HE       MET   1 105.229  15.170  15.170
   10   2HE   MET   1          3HE       MET   1 103.800  14.762  14.762
   11   3HE   MET   1          2HE       MET   1 105.277  13.814  13.814
   12    H    GLU   2           H        GLU   2 103.420  15.132  15.132
   13    HA   GLU   2           HA       GLU   2 104.871  16.525  16.525
   14   1HB   GLU   2          2HB       GLU   2 103.126  18.119  18.119
   15   2HB   GLU   2          1HB       GLU   2 104.428  18.557  18.557
   16   1HG   GLU   2          2HG       GLU   2 105.036  20.059  20.059
   17   2HG   GLU   2          1HG       GLU   2 105.672  18.674  18.674
   18    HA   PRO   3           HA       PRO   3 108.235  15.670  15.670
   19   1HB   PRO   3          2HB       PRO   3 109.604  13.870  13.870
   20   2HB   PRO   3          1HB       PRO   3 108.292  13.396  13.396
   21   1HG   PRO   3          2HG       PRO   3 108.240  13.797  13.797
   22   2HG   PRO   3          1HG       PRO   3 107.439  12.560  12.560
   23   1HD   PRO   3          2HD       PRO   3 106.153  14.746  14.746
   24   2HD   PRO   3          1HD       PRO   3 105.668  13.928  13.928
   25    H    ALA   4           H        ALA   4 108.500  17.989  17.989
   26    HA   ALA   4           HA       ALA   4 109.772  18.761  18.761
   27   1HB   ALA   4          3HB       ALA   4 108.987  19.928  19.928
   28   2HB   ALA   4          2HB       ALA   4 110.738  20.009  20.009
   29   3HB   ALA   4          1HB       ALA   4 109.972  20.755  20.755
   30    H    ALA   5           H        ALA   5 111.751  18.352  18.352
   31    HA   ALA   5           HA       ALA   5 113.812  16.992  16.992
   32   1HB   ALA   5          2HB       ALA   5 112.779  16.208  16.208
   33   2HB   ALA   5          1HB       ALA   5 113.901  17.377  17.377
   34   3HB   ALA   5          3HB       ALA   5 114.513  16.031  16.031
   35    H    GLY   6           H        GLY   6 116.148  17.595  17.595
   36   1HA   GLY   6          2HA       GLY   6 117.497  19.483  19.483
   37   2HA   GLY   6          1HA       GLY   6 116.326  20.575  20.575
   38    H    SER   7           H        SER   7 116.901  21.375  21.375
   39    HA   SER   7           HA       SER   7 119.309  20.425  20.425
   40   1HB   SER   7          2HB       SER   7 118.760  22.244  22.244
   41   2HB   SER   7          1HB       SER   7 118.550  22.790  22.790
   42    HG   SER   7           HG       SER   7 116.770  23.365  23.365
   43    H    SER   8           H        SER   8 119.410  19.327  19.327
   44    HA   SER   8           HA       SER   8 118.698  17.851  17.851
   45   1HB   SER   8          2HB       SER   8 116.913  19.977  19.977
   46   2HB   SER   8          1HB       SER   8 115.859  18.567  18.567
   47    HG   SER   8           HG       SER   8 116.856  19.543  19.543
   48    H    MET   9           H        MET   9 118.551  15.702  15.702
   49    HA   MET   9           HA       MET   9 116.806  14.781  14.781
   50   1HB   MET   9          2HB       MET   9 119.147  13.698  13.698
   51   2HB   MET   9          1HB       MET   9 118.183  12.638  12.638
   52   1HG   MET   9          2HG       MET   9 119.275  13.378  13.378
   53   2HG   MET   9          1HG       MET   9 118.771  15.031  15.031
   54   1HE   MET   9          2HE       MET   9 120.971  12.184  12.184
   55   2HE   MET   9          1HE       MET   9 122.463  12.887  12.887
   56   3HE   MET   9          3HE       MET   9 120.980  12.958  12.958
   57    H    GLU  10           H        GLU  10 117.470  14.101  14.101
   58    HA   GLU  10           HA       GLU  10 114.854  12.632  12.632
   59   1HB   GLU  10          2HB       GLU  10 117.600  12.133  12.133
   60   2HB   GLU  10          1HB       GLU  10 116.329  11.801  11.801
   61   1HG   GLU  10          2HG       GLU  10 116.240   9.781   9.781
   62   2HG   GLU  10          1HG       GLU  10 115.235  10.665  10.665
   63    HA   PRO  11           HA       PRO  11 113.621  15.570  15.570
   64   1HB   PRO  11          2HB       PRO  11 111.860  14.075  14.075
   65   2HB   PRO  11          1HB       PRO  11 111.503  14.654  14.654
   66   1HG   PRO  11          2HG       PRO  11 112.325  11.954  11.954
   67   2HG   PRO  11          1HG       PRO  11 111.227  12.420  12.420
   68   1HD   PRO  11          2HD       PRO  11 113.838  11.598  11.598
   69   2HD   PRO  11          1HD       PRO  11 112.909  12.563  12.563
   70    H    SER  12           H        SER  12 113.506  15.834  15.834
   71    HA   SER  12           HA       SER  12 115.945  15.079  15.079
   72   1HB   SER  12          2HB       SER  12 114.490  16.981  16.981
   73   2HB   SER  12          1HB       SER  12 113.267  15.853  15.853
   74    HG   SER  12           HG       SER  12 115.334  16.825  16.825
   75    H    ALA  13           H        ALA  13 116.551  13.096  13.096
   76    HA   ALA  13           HA       ALA  13 114.629  10.907  10.907
   77   1HB   ALA  13          3HB       ALA  13 117.309  11.196  11.196
   78   2HB   ALA  13          2HB       ALA  13 117.348  10.579  10.579
   79   3HB   ALA  13          1HB       ALA  13 116.525   9.666   9.666
   80    H    ASP  14           H        ASP  14 115.956  13.289  13.289
   81    HA   ASP  14           HA       ASP  14 115.962  11.969  11.969
   82   1HB   ASP  14          2HB       ASP  14 116.341  14.502  14.502
   83   2HB   ASP  14          1HB       ASP  14 114.813  14.698  14.698
   84    H    TRP  15           H        TRP  15 113.266  12.786  12.786
   85    HA   TRP  15           HA       TRP  15 111.095  13.078  13.078
   86   1HB   TRP  15          2HB       TRP  15 111.468  11.546  11.546
   87   2HB   TRP  15          1HB       TRP  15 109.887  11.761  11.761
   88    HD1  TRP  15           HD1      TRP  15 112.399  14.572  14.572
   89    HE1  TRP  15           HE1      TRP  15 111.605  16.559  16.559
   90    HE3  TRP  15           HE3      TRP  15 108.490  12.379  12.379
   91    HZ2  TRP  15           HZ2      TRP  15 109.574  17.142  17.142
   92    HZ3  TRP  15           HZ3      TRP  15 107.142  13.673  13.673
   93    HH2  TRP  15           HH2      TRP  15 107.680  16.048  16.048
   94    H    LEU  16           H        LEU  16 112.907  10.147  10.147
   95    HA   LEU  16           HA       LEU  16 111.384   8.059   8.059
   96   1HB   LEU  16          2HB       LEU  16 114.144   8.761   8.761
   97   2HB   LEU  16          1HB       LEU  16 114.030   7.797   7.797
   98    HG   LEU  16           HG       LEU  16 112.526   6.265   6.265
   99   1HD1  LEU  16          3HD1      LEU  16 112.716   8.219   8.219
  100   2HD1  LEU  16          2HD1      LEU  16 113.855   7.005   7.005
  101   3HD1  LEU  16          1HD1      LEU  16 112.173   6.567   6.567
  102   1HD2  LEU  16          3HD2      LEU  16 115.458   6.586   6.586
  103   2HD2  LEU  16          2HD2      LEU  16 114.516   5.188   5.188
  104   3HD2  LEU  16          1HD2      LEU  16 114.758   5.503   5.503
  105    H    ALA  17           H        ALA  17 113.890   9.032   9.032
  106    HA   ALA  17           HA       ALA  17 112.788   8.249   8.249
  107   1HB   ALA  17          2HB       ALA  17 114.747  10.222  10.222
  108   2HB   ALA  17          1HB       ALA  17 114.117  10.580  10.580
  109   3HB   ALA  17          3HB       ALA  17 114.898   9.032   9.032
  110    H    THR  18           H        THR  18 112.481  11.580  11.580
  111    HA   THR  18           HA       THR  18 110.822  12.709  12.709
  112    HB   THR  18           HB       THR  18 109.896  13.861  13.861
  113    HG1  THR  18           HG1      THR  18 111.874  13.692  13.692
  114   1HG2  THR  18          1HG2      THR  18 111.264  14.920  14.920
  115   2HG2  THR  18          3HG2      THR  18 112.707  14.177  14.177
  116   3HG2  THR  18          2HG2      THR  18 111.810  15.382  15.382
  117    H    ALA  19           H        ALA  19 109.627  11.270  11.270
  118    HA   ALA  19           HA       ALA  19 106.872  11.302  11.302
  119   1HB   ALA  19          2HB       ALA  19 108.556   9.355   9.355
  120   2HB   ALA  19          1HB       ALA  19 106.800   9.469   9.469
  121   3HB   ALA  19          3HB       ALA  19 107.798  10.831  10.831
  122    H    ALA  20           H        ALA  20 109.239   8.670   8.670
  123    HA   ALA  20           HA       ALA  20 107.496   6.777   6.777
  124   1HB   ALA  20          1HB       ALA  20 109.892   6.516   6.516
  125   2HB   ALA  20          3HB       ALA  20 110.384   7.368   7.368
  126   3HB   ALA  20          2HB       ALA  20 109.563   5.812   5.812
  127    H    ALA  21           H        ALA  21 109.482   9.298   9.298
  128    HA   ALA  21           HA       ALA  21 108.576   8.754   8.754
  129   1HB   ALA  21          1HB       ALA  21 109.640  11.267  11.267
  130   2HB   ALA  21          3HB       ALA  21 109.526  11.030  11.030
  131   3HB   ALA  21          2HB       ALA  21 110.607  10.018  10.018
  132    H    ARG  22           H        ARG  22 107.183  10.572  10.572
  133    HA   ARG  22           HA       ARG  22 105.239  11.988  11.988
  134   1HB   ARG  22          2HB       ARG  22 105.965  11.795  11.795
  135   2HB   ARG  22          1HB       ARG  22 104.397  12.472  12.472
  136   1HG   ARG  22          2HG       ARG  22 105.512  14.104  14.104
  137   2HG   ARG  22          1HG       ARG  22 107.082  13.435  13.435
  138   1HD   ARG  22          2HD       ARG  22 106.030  13.906  13.906
  139   2HD   ARG  22          1HD       ARG  22 105.296  15.228  15.228
  140    HE   ARG  22           HE       ARG  22 108.208  14.724  14.724
  141   1HH1  ARG  22          1HH2      ARG  22 106.559  16.193  16.193
  142   2HH1  ARG  22          2HH2      ARG  22 107.073  17.812  17.812
  143   1HH2  ARG  22          2HH1      ARG  22 108.457  17.013  17.013
  144   2HH2  ARG  22          1HH1      ARG  22 108.156  18.274  18.274
  145    H    GLY  23           H        GLY  23 105.436   8.819   8.819
  146   1HA   GLY  23          2HA       GLY  23 103.859   7.100   7.100
  147   2HA   GLY  23          1HA       GLY  23 102.702   8.264   8.264
  148    H    ARG  24           H        ARG  24 104.522   8.325   8.325
  149    HA   ARG  24           HA       ARG  24 101.896   8.335   8.335
  150   1HB   ARG  24          2HB       ARG  24 104.135  10.189  10.189
  151   2HB   ARG  24          1HB       ARG  24 103.871   9.631   9.631
  152   1HG   ARG  24          2HG       ARG  24 102.490  11.585  11.585
  153   2HG   ARG  24          1HG       ARG  24 101.429  10.176  10.176
  154   1HD   ARG  24          2HD       ARG  24 101.213  10.129  10.129
  155   2HD   ARG  24          1HD       ARG  24 102.477  11.362  11.362
  156    HE   ARG  24           HE       ARG  24  99.874  11.902  11.902
  157   1HH1  ARG  24          1HH2      ARG  24 101.788  12.553  12.553
  158   2HH1  ARG  24          2HH2      ARG  24 101.584  14.271  14.271
  159   1HH2  ARG  24          2HH1      ARG  24  99.923  14.233  14.233
  160   2HH2  ARG  24          1HH1      ARG  24 100.523  15.219  15.219
  161    H    VAL  25           H        VAL  25 102.443   5.897   5.897
  162    HA   VAL  25           HA       VAL  25 104.646   4.702   4.702
  163    HB   VAL  25           HB       VAL  25 101.731   3.859   3.859
  164   1HG1  VAL  25          3HG1      VAL  25 103.580   2.658   2.658
  165   2HG1  VAL  25          2HG1      VAL  25 104.141   2.063   2.063
  166   3HG1  VAL  25          1HG1      VAL  25 102.514   1.674   1.674
  167   1HG2  VAL  25          3HG2      VAL  25 103.546   4.209   4.209
  168   2HG2  VAL  25          2HG2      VAL  25 101.845   3.743   3.743
  169   3HG2  VAL  25          1HG2      VAL  25 103.094   2.512   2.512
  170    H    GLU  26           H        GLU  26 101.585   5.830   5.830
  171    HA   GLU  26           HA       GLU  26 102.049   5.033   5.033
  172   1HB   GLU  26          2HB       GLU  26 100.614   7.370   7.370
  173   2HB   GLU  26          1HB       GLU  26 100.522   7.044   7.044
  174   1HG   GLU  26          2HG       GLU  26  99.434   4.976   4.976
  175   2HG   GLU  26          1HG       GLU  26  99.920   4.883   4.883
  176    H    GLU  27           H        GLU  27 103.252   7.864   7.864
  177    HA   GLU  27           HA       GLU  27 104.315   9.273   9.273
  178   1HB   GLU  27          2HB       GLU  27 103.816  10.095  10.095
  179   2HB   GLU  27          1HB       GLU  27 105.338   9.338   9.338
  180   1HG   GLU  27          2HG       GLU  27 106.613  10.888  10.888
  181   2HG   GLU  27          1HG       GLU  27 105.407  11.109  11.109
  182    H    VAL  28           H        VAL  28 105.725   6.942   6.942
  183    HA   VAL  28           HA       VAL  28 108.358   7.027   7.027
  184    HB   VAL  28           HB       VAL  28 107.149   4.974   4.974
  185   1HG1  VAL  28          1HG1      VAL  28 109.519   4.844   4.844
  186   2HG1  VAL  28          3HG1      VAL  28 110.004   5.808   5.808
  187   3HG1  VAL  28          2HG1      VAL  28 109.289   4.214   4.214
  188   1HG2  VAL  28          2HG2      VAL  28 107.418   7.715   7.715
  189   2HG2  VAL  28          1HG2      VAL  28 107.267   6.465   6.465
  190   3HG2  VAL  28          3HG2      VAL  28 108.863   7.018   7.018
  191    H    ARG  29           H        ARG  29 105.631   4.701   4.701
  192    HA   ARG  29           HA       ARG  29 106.673   2.606   2.606
  193   1HB   ARG  29          2HB       ARG  29 104.164   3.561   3.561
  194   2HB   ARG  29          1HB       ARG  29 103.995   3.349   3.349
  195   1HG   ARG  29          2HG       ARG  29 103.490   1.208   1.208
  196   2HG   ARG  29          1HG       ARG  29 105.230   1.058   1.058
  197   1HD   ARG  29          2HD       ARG  29 105.413   0.459   0.459
  198   2HD   ARG  29          1HD       ARG  29 104.870   2.087   2.087
  199    HE   ARG  29           HE       ARG  29 102.552   1.247   1.247
  200   1HH1  ARG  29          2HH1      ARG  29 104.259  -1.181  -1.181
  201   2HH1  ARG  29          1HH1      ARG  29 103.636  -2.475  -2.475
  202   1HH2  ARG  29          1HH2      ARG  29 102.099  -0.377  -0.377
  203   2HH2  ARG  29          2HH2      ARG  29 102.415  -2.020  -2.020
  204    H    ALA  30           H        ALA  30 105.160   5.607   5.607
  205    HA   ALA  30           HA       ALA  30 105.620   4.986   4.986
  206   1HB   ALA  30          3HB       ALA  30 104.542   7.120   7.120
  207   2HB   ALA  30          2HB       ALA  30 105.405   7.755   7.755
  208   3HB   ALA  30          1HB       ALA  30 104.064   6.634   6.634
  209    H    LEU  31           H        LEU  31 107.517   6.599   6.599
  210    HA   LEU  31           HA       LEU  31 109.431   7.872   7.872
  211   1HB   LEU  31          2HB       LEU  31 109.148   7.119   7.119
  212   2HB   LEU  31          1HB       LEU  31 110.762   7.549   7.549
  213    HG   LEU  31           HG       LEU  31 108.400   9.299   9.299
  214   1HD1  LEU  31          1HD1      LEU  31 108.659   8.793   8.793
  215   2HD1  LEU  31          3HD1      LEU  31 110.139   9.742   9.742
  216   3HD1  LEU  31          2HD1      LEU  31 108.584  10.481  10.481
  217   1HD2  LEU  31          1HD2      LEU  31 111.297   9.349   9.349
  218   2HD2  LEU  31          3HD2      LEU  31 110.075  10.381  10.381
  219   3HD2  LEU  31          2HD2      LEU  31 110.719  10.783  10.783
  220    H    LEU  32           H        LEU  32 110.102   5.123   5.123
  221    HA   LEU  32           HA       LEU  32 112.472   4.190   4.190
  222   1HB   LEU  32          2HB       LEU  32 110.114   2.904   2.904
  223   2HB   LEU  32          1HB       LEU  32 111.447   1.893   1.893
  224    HG   LEU  32           HG       LEU  32 112.297   4.307   4.307
  225   1HD1  LEU  32          2HD1      LEU  32 110.079   3.208   3.208
  226   2HD1  LEU  32          1HD1      LEU  32 111.287   2.120   2.120
  227   3HD1  LEU  32          3HD1      LEU  32 111.383   3.852   3.852
  228   1HD2  LEU  32          1HD2      LEU  32 113.435   1.954   1.954
  229   2HD2  LEU  32          3HD2      LEU  32 114.034   2.939   2.939
  230   3HD2  LEU  32          2HD2      LEU  32 112.975   1.572   1.572
  231    H    GLU  33           H        GLU  33 109.192   3.100   3.100
  232    HA   GLU  33           HA       GLU  33 110.039   1.288   1.288
  233   1HB   GLU  33          2HB       GLU  33 107.666   2.226   2.226
  234   2HB   GLU  33          1HB       GLU  33 107.549   2.717   2.717
  235   1HG   GLU  33          2HG       GLU  33 108.538   0.141   0.141
  236   2HG   GLU  33          1HG       GLU  33 107.431   0.025   0.025
  237    H    ALA  34           H        ALA  34 109.816   4.785   4.785
  238    HA   ALA  34           HA       ALA  34 109.987   4.970   4.970
  239   1HB   ALA  34          2HB       ALA  34 109.877   6.937   6.937
  240   2HB   ALA  34          1HB       ALA  34 110.008   7.444   7.444
  241   3HB   ALA  34          3HB       ALA  34 108.591   6.544   6.544
  242    H    GLY  35           H        GLY  35 112.197   4.518   4.518
  243   1HA   GLY  35          2HA       GLY  35 114.566   4.221   4.221
  244   2HA   GLY  35          1HA       GLY  35 114.386   5.622   5.622
  245    H    ALA  36           H        ALA  36 113.020   5.545   5.545
  246    HA   ALA  36           HA       ALA  36 114.486   7.967   7.967
  247   1HB   ALA  36          3HB       ALA  36 112.646   6.105   6.105
  248   2HB   ALA  36          2HB       ALA  36 113.158   7.702   7.702
  249   3HB   ALA  36          1HB       ALA  36 112.151   7.542   7.542
  250    H    LEU  37           H        LEU  37 116.434   8.009   8.009
  251    HA   LEU  37           HA       LEU  37 118.126   5.839   5.839
  252   1HB   LEU  37          2HB       LEU  37 118.104   8.600   8.600
  253   2HB   LEU  37          1HB       LEU  37 118.375   7.984   7.984
  254    HG   LEU  37           HG       LEU  37 119.995   6.437   6.437
  255   1HD1  LEU  37          1HD1      LEU  37 119.609   9.135   9.135
  256   2HD1  LEU  37          3HD1      LEU  37 121.280   8.910   8.910
  257   3HD1  LEU  37          2HD1      LEU  37 120.578   7.837   7.837
  258   1HD2  LEU  37          3HD2      LEU  37 120.178   7.561   7.561
  259   2HD2  LEU  37          2HD2      LEU  37 121.566   6.917   6.917
  260   3HD2  LEU  37          1HD2      LEU  37 121.225   8.646   8.646
  261    HA   PRO  38           HA       PRO  38 115.793   4.000   4.000
  262   1HB   PRO  38          2HB       PRO  38 117.290   1.711   1.711
  263   2HB   PRO  38          1HB       PRO  38 115.990   1.959   1.959
  264   1HG   PRO  38          2HG       PRO  38 118.938   2.244   2.244
  265   2HG   PRO  38          1HG       PRO  38 117.740   1.540   1.540
  266   1HD   PRO  38          2HD       PRO  38 118.747   4.029   4.029
  267   2HD   PRO  38          1HD       PRO  38 117.093   3.588   3.588
  268    H    ASN  39           H        ASN  39 119.314   4.308   4.308
  269    HA   ASN  39           HA       ASN  39 119.498   4.391   4.391
  270   1HB   ASN  39          2HB       ASN  39 121.074   3.265   3.265
  271   2HB   ASN  39          1HB       ASN  39 122.060   4.292   4.292
  272   1HD2  ASN  39          1HD2      ASN  39 119.222   2.448   2.448
  273   2HD2  ASN  39          2HD2      ASN  39 120.104   1.404   1.404
  274    H    ALA  40           H        ALA  40 118.462   6.683   6.683
  275    HA   ALA  40           HA       ALA  40 120.532   8.613   8.613
  276   1HB   ALA  40          2HB       ALA  40 117.820   8.354   8.354
  277   2HB   ALA  40          1HB       ALA  40 117.908   9.539   9.539
  278   3HB   ALA  40          3HB       ALA  40 118.702   9.864   9.864
  279    HA   PRO  41           HA       PRO  41 121.631   9.806   9.806
  280   1HB   PRO  41          2HB       PRO  41 122.449  12.377  12.377
  281   2HB   PRO  41          1HB       PRO  41 123.403  10.961  10.961
  282   1HG   PRO  41          2HG       PRO  41 121.649  12.708  12.708
  283   2HG   PRO  41          1HG       PRO  41 123.199  11.955  11.955
  284   1HD   PRO  41          2HD       PRO  41 120.782  10.992  10.992
  285   2HD   PRO  41          1HD       PRO  41 122.227   9.981   9.981
  286    H    ASN  42           H        ASN  42 120.010  10.173  10.173
  287    HA   ASN  42           HA       ASN  42 117.923  12.207  12.207
  288   1HB   ASN  42          2HB       ASN  42 118.240  10.208  10.208
  289   2HB   ASN  42          1HB       ASN  42 116.773  11.097  11.097
  290   1HD2  ASN  42          1HD2      ASN  42 117.048  10.822  10.822
  291   2HD2  ASN  42          2HD2      ASN  42 116.764   9.192   9.192
  292    H    SER  43           H        SER  43 117.263  13.563  13.563
  293    HA   SER  43           HA       SER  43 119.680  14.899  14.899
  294   1HB   SER  43          2HB       SER  43 118.031  16.341  16.341
  295   2HB   SER  43          1HB       SER  43 116.717  15.451  15.451
  296    HG   SER  43           HG       SER  43 117.126  16.418  16.418
  297    H    TYR  44           H        TYR  44 118.961  12.216  12.216
  298    HA   TYR  44           HA       TYR  44 118.673  13.020  13.020
  299   1HB   TYR  44          2HB       TYR  44 117.017  11.208  11.208
  300   2HB   TYR  44          1HB       TYR  44 117.361  10.658  10.658
  301    HD1  TYR  44           HD2      TYR  44 116.674  12.012  12.012
  302    HD2  TYR  44           HD1      TYR  44 115.620  13.143  13.143
  303    HE1  TYR  44           HE2      TYR  44 114.975  13.583  13.583
  304    HE2  TYR  44           HE1      TYR  44 113.921  14.716  14.716
  305    HH   TYR  44           HH       TYR  44 113.853  15.820  15.820
  306    H    GLY  45           H        GLY  45 120.629  11.591  11.591
  307   1HA   GLY  45          2HA       GLY  45 122.405  10.083  10.083
  308   2HA   GLY  45          1HA       GLY  45 122.458  10.509  10.509
  309    H    ARG  46           H        ARG  46 119.585   9.075   9.075
  310    HA   ARG  46           HA       ARG  46 120.312   6.472   6.472
  311   1HB   ARG  46          2HB       ARG  46 117.863   8.208   8.208
  312   2HB   ARG  46          1HB       ARG  46 117.798   6.482   6.482
  313   1HG   ARG  46          2HG       ARG  46 120.040   7.126   7.126
  314   2HG   ARG  46          1HG       ARG  46 119.194   8.670   8.670
  315   1HD   ARG  46          2HD       ARG  46 117.171   7.437   7.437
  316   2HD   ARG  46          1HD       ARG  46 118.159   5.963   5.963
  317    HE   ARG  46           HE       ARG  46 119.674   7.150   7.150
  318   1HH1  ARG  46          1HH2      ARG  46 117.852   9.667   9.667
  319   2HH1  ARG  46          2HH2      ARG  46 117.242  10.123  10.123
  320   1HH2  ARG  46          2HH1      ARG  46 118.354   7.243   7.243
  321   2HH2  ARG  46          1HH1      ARG  46 117.528   8.753   8.753
  322    H    ARG  47           H        ARG  47 120.083   7.581   7.581
  323    HA   ARG  47           HA       ARG  47 119.297   6.830   6.830
  324   1HB   ARG  47          2HB       ARG  47 120.144   4.704   4.704
  325   2HB   ARG  47          1HB       ARG  47 118.852   4.109   4.109
  326   1HG   ARG  47          2HG       ARG  47 120.803   3.733   3.733
  327   2HG   ARG  47          1HG       ARG  47 120.149   5.231   5.231
  328   1HD   ARG  47          2HD       ARG  47 122.098   6.275   6.275
  329   2HD   ARG  47          1HD       ARG  47 121.833   5.919   5.919
  330    HE   ARG  47           HE       ARG  47 123.164   3.937   3.937
  331   1HH1  ARG  47          2HH1      ARG  47 121.931   3.781   3.781
  332   2HH1  ARG  47          1HH1      ARG  47 123.416   3.687   3.687
  333   1HH2  ARG  47          1HH2      ARG  47 125.394   4.585   4.585
  334   2HH2  ARG  47          2HH2      ARG  47 125.376   4.130   4.130
  335    HA   PRO  48           HA       PRO  48 114.920   6.347   6.347
  336   1HB   PRO  48          2HB       PRO  48 114.414   4.295   4.295
  337   2HB   PRO  48          1HB       PRO  48 115.024   5.879   5.879
  338   1HG   PRO  48          2HG       PRO  48 116.486   3.319   3.319
  339   2HG   PRO  48          1HG       PRO  48 116.706   4.576   4.576
  340   1HD   PRO  48          2HD       PRO  48 118.323   4.268   4.268
  341   2HD   PRO  48          1HD       PRO  48 118.087   5.810   5.810
  342    H    ILE  49           H        ILE  49 113.026   4.599   4.599
  343    HA   ILE  49           HA       ILE  49 111.903   3.040   3.040
  344    HB   ILE  49           HB       ILE  49 114.639   1.748   1.748
  345   1HG1  ILE  49          2HG1      ILE  49 112.076   1.646   1.646
  346   2HG1  ILE  49          1HG1      ILE  49 113.715   1.940   1.940
  347   1HG2  ILE  49          2HG2      ILE  49 113.291   0.884   0.884
  348   2HG2  ILE  49          1HG2      ILE  49 111.976   0.525   0.525
  349   3HG2  ILE  49          3HG2      ILE  49 113.514  -0.327  -0.327
  350   1HD1  ILE  49          2HD1      ILE  49 114.293  -0.417  -0.417
  351   2HD1  ILE  49          1HD1      ILE  49 112.586  -0.676  -0.676
  352   3HD1  ILE  49          3HD1      ILE  49 113.102  -0.319  -0.319
  353    H    GLN  50           H        GLN  50 115.212   2.958   2.958
  354    HA   GLN  50           HA       GLN  50 114.515   2.762   2.762
  355   1HB   GLN  50          2HB       GLN  50 116.784   3.378   3.378
  356   2HB   GLN  50          1HB       GLN  50 116.693   4.630   4.630
  357   1HG   GLN  50          2HG       GLN  50 116.143   2.383   2.383
  358   2HG   GLN  50          1HG       GLN  50 117.284   1.754   1.754
  359   1HE2  GLN  50          1HE2      GLN  50 119.167   3.612   3.612
  360   2HE2  GLN  50          2HE2      GLN  50 119.879   4.124   4.124
  361    H    VAL  51           H        VAL  51 114.142   5.522   5.522
  362    HA   VAL  51           HA       VAL  51 113.335   7.197   7.197
  363    HB   VAL  51           HB       VAL  51 115.327   7.874   7.874
  364   1HG1  VAL  51          1HG1      VAL  51 113.204   8.206   8.206
  365   2HG1  VAL  51          3HG1      VAL  51 114.854   8.817   8.817
  366   3HG1  VAL  51          2HG1      VAL  51 114.562   7.081   7.081
  367   1HG2  VAL  51          2HG2      VAL  51 112.896   9.680   9.680
  368   2HG2  VAL  51          1HG2      VAL  51 114.146   9.578   9.578
  369   3HG2  VAL  51          3HG2      VAL  51 114.533  10.234  10.234
  370    H    MET  52           H        MET  52 111.908   5.290   5.290
  371    HA   MET  52           HA       MET  52 109.948   7.070   7.070
  372   1HB   MET  52          2HB       MET  52 108.837   4.984   4.984
  373   2HB   MET  52          1HB       MET  52 110.574   4.809   4.809
  374   1HG   MET  52          2HG       MET  52 110.714   3.156   3.156
  375   2HG   MET  52          1HG       MET  52 109.680   4.006   4.006
  376   1HE   MET  52          1HE       MET  52 110.176   0.985   0.985
  377   2HE   MET  52          3HE       MET  52 108.985   0.985   0.985
  378   3HE   MET  52          2HE       MET  52 108.624   0.182   0.182
  379    H    MET  53           H        MET  53 107.514   6.707   6.707
  380    HA   MET  53           HA       MET  53 106.937   7.648   7.648
  381   1HB   MET  53          2HB       MET  53 105.485   7.546   7.546
  382   2HB   MET  53          1HB       MET  53 105.174   5.855   5.855
  383   1HG   MET  53          2HG       MET  53 104.769   7.396   7.396
  384   2HG   MET  53          1HG       MET  53 103.888   8.180   8.180
  385   1HE   MET  53          1HE       MET  53 101.824   7.464   7.464
  386   2HE   MET  53          3HE       MET  53 102.793   6.320   6.320
  387   3HE   MET  53          2HE       MET  53 101.286   5.797   5.797
  388    H    MET  54           H        MET  54 107.736   4.428   4.428
  389    HA   MET  54           HA       MET  54 107.987   2.429   2.429
  390   1HB   MET  54          2HB       MET  54 108.420   4.641   4.641
  391   2HB   MET  54          1HB       MET  54 107.571   3.376   3.376
  392   1HG   MET  54          2HG       MET  54 109.862   2.825   2.825
  393   2HG   MET  54          1HG       MET  54 109.293   1.752   1.752
  394   1HE   MET  54          3HE       MET  54 110.531   1.142   1.142
  395   2HE   MET  54          2HE       MET  54 110.927   2.097   2.097
  396   3HE   MET  54          1HE       MET  54 112.177   1.738   1.738
  397    H    GLY  55           H        GLY  55 105.197   3.959   3.959
  398   1HA   GLY  55          2HA       GLY  55 103.619   2.006   2.006
  399   2HA   GLY  55          1HA       GLY  55 103.028   3.624   3.624
  400    H    SER  56           H        SER  56 104.869   2.074   2.074
  401    HA   SER  56           HA       SER  56 102.491   0.935   0.935
  402   1HB   SER  56          2HB       SER  56 103.785   3.520   3.520
  403   2HB   SER  56          1HB       SER  56 103.625   2.486   2.486
  404    HG   SER  56           HG       SER  56 101.530   3.080   3.080
  405    H    ALA  57           H        ALA  57 103.938  -0.965  -0.965
  406    HA   ALA  57           HA       ALA  57 106.537  -1.462  -1.462
  407   1HB   ALA  57          1HB       ALA  57 103.998  -3.085  -3.085
  408   2HB   ALA  57          3HB       ALA  57 105.513  -3.815  -3.815
  409   3HB   ALA  57          2HB       ALA  57 105.366  -3.181  -3.181
  410    H    ARG  58           H        ARG  58 103.704  -1.078  -1.078
  411    HA   ARG  58           HA       ARG  58 104.542  -2.198  -2.198
  412   1HB   ARG  58          2HB       ARG  58 103.076   0.376   0.376
  413   2HB   ARG  58          1HB       ARG  58 103.142  -0.314  -0.314
  414   1HG   ARG  58          2HG       ARG  58 101.595  -1.883  -1.883
  415   2HG   ARG  58          1HG       ARG  58 102.376  -2.285  -2.285
  416   1HD   ARG  58          2HD       ARG  58 101.158  -0.667  -0.667
  417   2HD   ARG  58          1HD       ARG  58 100.839   0.309   0.309
  418    HE   ARG  58           HE       ARG  58  99.167  -1.829  -1.829
  419   1HH1  ARG  58          2HH1      ARG  58  98.312   0.215   0.215
  420   2HH1  ARG  58          1HH1      ARG  58  98.143  -0.731  -0.731
  421   1HH2  ARG  58          1HH2      ARG  58  99.991  -3.401  -3.401
  422   2HH2  ARG  58          2HH2      ARG  58  99.093  -2.781  -2.781
  423    H    VAL  59           H        VAL  59 105.364   0.984   0.984
  424    HA   VAL  59           HA       VAL  59 106.878   2.089   2.089
  425    HB   VAL  59           HB       VAL  59 107.165   2.194   2.194
  426   1HG1  VAL  59          2HG1      VAL  59 108.391   3.965   3.965
  427   2HG1  VAL  59          1HG1      VAL  59 108.360   4.349   4.349
  428   3HG1  VAL  59          3HG1      VAL  59 109.262   2.947   2.947
  429   1HG2  VAL  59          3HG2      VAL  59 105.652   3.757   3.757
  430   2HG2  VAL  59          2HG2      VAL  59 105.057   3.058   3.058
  431   3HG2  VAL  59          1HG2      VAL  59 106.073   4.498   4.498
  432    H    ALA  60           H        ALA  60 108.216   0.323   0.323
  433    HA   ALA  60           HA       ALA  60 110.846  -0.014  -0.014
  434   1HB   ALA  60          3HB       ALA  60 109.555  -0.595  -0.595
  435   2HB   ALA  60          2HB       ALA  60 109.426  -2.190  -2.190
  436   3HB   ALA  60          1HB       ALA  60 111.012  -1.484  -1.484
  437    H    GLU  61           H        GLU  61 108.087  -2.297  -2.297
  438    HA   GLU  61           HA       GLU  61 109.215  -4.345  -4.345
  439   1HB   GLU  61          2HB       GLU  61 106.762  -3.699  -3.699
  440   2HB   GLU  61          1HB       GLU  61 106.571  -3.213  -3.213
  441   1HG   GLU  61          2HG       GLU  61 107.241  -5.441  -5.441
  442   2HG   GLU  61          1HG       GLU  61 107.534  -5.940  -5.940
  443    H    LEU  62           H        LEU  62 108.229  -1.134  -1.134
  444    HA   LEU  62           HA       LEU  62 108.768  -1.622  -1.622
  445   1HB   LEU  62          2HB       LEU  62 107.174   0.003   0.003
  446   2HB   LEU  62          1HB       LEU  62 107.864   0.536   0.536
  447    HG   LEU  62           HG       LEU  62 109.661   1.671   1.671
  448   1HD1  LEU  62          2HD1      LEU  62 108.703   0.027   0.027
  449   2HD1  LEU  62          1HD1      LEU  62 108.860   1.719   1.719
  450   3HD1  LEU  62          3HD1      LEU  62 110.249   0.852   0.852
  451   1HD2  LEU  62          3HD2      LEU  62 106.831   2.230   2.230
  452   2HD2  LEU  62          2HD2      LEU  62 107.842   3.107   3.107
  453   3HD2  LEU  62          1HD2      LEU  62 108.143   3.243   3.243
  454    H    LEU  63           H        LEU  63 110.259   0.562   0.562
  455    HA   LEU  63           HA       LEU  63 112.605   1.128   1.128
  456   1HB   LEU  63          2HB       LEU  63 111.971   1.097   1.097
  457   2HB   LEU  63          1HB       LEU  63 113.447   1.796   1.796
  458    HG   LEU  63           HG       LEU  63 111.037   2.711   2.711
  459   1HD1  LEU  63          2HD1      LEU  63 110.864   2.511   2.511
  460   2HD1  LEU  63          1HD1      LEU  63 111.091   4.215   4.215
  461   3HD1  LEU  63          3HD1      LEU  63 109.747   3.318   3.318
  462   1HD2  LEU  63          1HD2      LEU  63 113.419   3.987   3.987
  463   2HD2  LEU  63          3HD2      LEU  63 113.137   3.807   3.807
  464   3HD2  LEU  63          2HD2      LEU  63 112.155   4.930   4.930
  465    H    LEU  64           H        LEU  64 112.247  -1.096  -1.096
  466    HA   LEU  64           HA       LEU  64 114.786  -2.238  -2.238
  467   1HB   LEU  64          2HB       LEU  64 112.392  -2.607  -2.607
  468   2HB   LEU  64          1HB       LEU  64 112.507  -4.103  -4.103
  469    HG   LEU  64           HG       LEU  64 114.847  -3.105  -3.105
  470   1HD1  LEU  64          1HD1      LEU  64 112.523  -3.453  -3.453
  471   2HD1  LEU  64          3HD1      LEU  64 112.986  -5.149  -5.149
  472   3HD1  LEU  64          2HD1      LEU  64 114.043  -4.008  -4.008
  473   1HD2  LEU  64          1HD2      LEU  64 115.089  -4.939  -4.939
  474   2HD2  LEU  64          3HD2      LEU  64 115.473  -5.452  -5.452
  475   3HD2  LEU  64          2HD2      LEU  64 113.924  -5.886  -5.886
  476    H    LEU  65           H        LEU  65 112.020  -3.800  -3.800
  477    HA   LEU  65           HA       LEU  65 113.579  -5.703  -5.703
  478   1HB   LEU  65          2HB       LEU  65 111.573  -6.215  -6.215
  479   2HB   LEU  65          1HB       LEU  65 110.940  -5.097  -5.097
  480    HG   LEU  65           HG       LEU  65 111.415  -3.270  -3.270
  481   1HD1  LEU  65          2HD1      LEU  65 111.996  -5.776  -5.776
  482   2HD1  LEU  65          1HD1      LEU  65 110.799  -4.785  -4.785
  483   3HD1  LEU  65          3HD1      LEU  65 112.386  -4.117  -4.117
  484   1HD2  LEU  65          3HD2      LEU  65 109.182  -5.091  -5.091
  485   2HD2  LEU  65          2HD2      LEU  65 109.163  -3.354  -3.354
  486   3HD2  LEU  65          1HD2      LEU  65 109.193  -4.476  -4.476
  487    H    HIS  66           H        HIS  66 113.172  -2.285  -2.285
  488    HA   HIS  66           HA       HIS  66 114.212  -2.310  -2.310
  489   1HB   HIS  66          2HB       HIS  66 112.999  -0.538  -0.538
  490   2HB   HIS  66          1HB       HIS  66 114.325   0.226   0.226
  491    HD1  HIS  66           HD1      HIS  66 114.164   0.290   0.290
  492    HD2  HIS  66           HD2      HIS  66 110.705  -0.966  -0.966
  493    HE1  HIS  66           HE1      HIS  66 112.297   0.379   0.379
  494    H    GLY  67           H        GLY  67 115.437  -1.883  -1.883
  495   1HA   GLY  67          2HA       GLY  67 117.905  -2.551  -2.551
  496   2HA   GLY  67          1HA       GLY  67 118.119  -1.289  -1.289
  497    H    ALA  68           H        ALA  68 115.930  -1.138  -1.138
  498    HA   ALA  68           HA       ALA  68 116.842   1.488   1.488
  499   1HB   ALA  68          2HB       ALA  68 114.611   0.377   0.377
  500   2HB   ALA  68          1HB       ALA  68 115.413  -0.614  -0.614
  501   3HB   ALA  68          3HB       ALA  68 115.326   1.134   1.134
  502    H    GLU  69           H        GLU  69 116.974   0.864   0.864
  503    HA   GLU  69           HA       GLU  69 119.773  -0.196  -0.196
  504   1HB   GLU  69          2HB       GLU  69 120.116   1.391   1.391
  505   2HB   GLU  69          1HB       GLU  69 119.351   2.247   2.247
  506   1HG   GLU  69          2HG       GLU  69 117.621   2.821   2.821
  507   2HG   GLU  69          1HG       GLU  69 117.290   1.126   1.126
  508    HA   PRO  70           HA       PRO  70 116.821  -2.803  -2.803
  509   1HB   PRO  70          2HB       PRO  70 117.365  -5.200  -5.200
  510   2HB   PRO  70          1HB       PRO  70 116.047  -4.125  -4.125
  511   1HG   PRO  70          2HG       PRO  70 118.778  -4.446  -4.446
  512   2HG   PRO  70          1HG       PRO  70 117.218  -4.274  -4.274
  513   1HD   PRO  70          2HD       PRO  70 118.933  -2.212  -2.212
  514   2HD   PRO  70          1HD       PRO  70 117.169  -1.988  -1.988
  515    H    ASN  71           H        ASN  71 120.117  -2.597  -2.597
  516    HA   ASN  71           HA       ASN  71 120.861  -4.255  -4.255
  517   1HB   ASN  71          2HB       ASN  71 121.369  -5.353  -5.353
  518   2HB   ASN  71          1HB       ASN  71 122.331  -3.948  -3.948
  519   1HD2  ASN  71          1HD2      ASN  71 124.269  -3.461  -3.461
  520   2HD2  ASN  71          2HD2      ASN  71 125.032  -4.739  -4.739
  521    H    CYS  72           H        CYS  72 122.470  -1.988  -1.988
  522    HA   CYS  72           HA       CYS  72 124.335  -0.851  -0.851
  523   1HB   CYS  72          2HB       CYS  72 123.293  -0.389  -0.389
  524   2HB   CYS  72          1HB       CYS  72 122.937   1.116   1.116
  525    HG   CYS  72           HG       CYS  72 125.745   0.534   0.534
  526    H    ALA  73           H        ALA  73 124.323   0.792   0.792
  527    HA   ALA  73           HA       ALA  73 121.668   1.947   1.947
  528   1HB   ALA  73          3HB       ALA  73 122.641  -0.174  -0.174
  529   2HB   ALA  73          2HB       ALA  73 123.650   1.021   1.021
  530   3HB   ALA  73          1HB       ALA  73 121.895   1.125   1.125
  531    H    ASP  74           H        ASP  74 123.341   2.916   2.916
  532    HA   ASP  74           HA       ASP  74 124.540   5.271   5.271
  533   1HB   ASP  74          2HB       ASP  74 122.513   5.317   5.317
  534   2HB   ASP  74          1HB       ASP  74 123.758   5.136   5.136
  535    HA   PRO  75           HA       PRO  75 128.420   3.796   3.796
  536   1HB   PRO  75          2HB       PRO  75 129.907   6.044   6.044
  537   2HB   PRO  75          1HB       PRO  75 129.436   4.893   4.893
  538   1HG   PRO  75          2HG       PRO  75 128.250   7.530   7.530
  539   2HG   PRO  75          1HG       PRO  75 128.507   6.794   6.794
  540   1HD   PRO  75          2HD       PRO  75 126.087   6.856   6.856
  541   2HD   PRO  75          1HD       PRO  75 126.555   5.601   5.601
  542    H    ALA  76           H        ALA  76 126.495   6.256   6.256
  543    HA   ALA  76           HA       ALA  76 128.410   6.932   6.932
  544   1HB   ALA  76          3HB       ALA  76 125.656   7.903   7.903
  545   2HB   ALA  76          2HB       ALA  76 126.520   8.517   8.517
  546   3HB   ALA  76          1HB       ALA  76 127.187   8.752   8.752
  547    H    THR  77           H        THR  77 125.072   5.672   5.672
  548    HA   THR  77           HA       THR  77 125.360   4.380   4.380
  549    HB   THR  77           HB       THR  77 122.634   4.671   4.671
  550    HG1  THR  77           HG1      THR  77 122.590   6.924   6.924
  551   1HG2  THR  77          2HG2      THR  77 123.635   4.701   4.701
  552   2HG2  THR  77          1HG2      THR  77 124.313   6.290   6.290
  553   3HG2  THR  77          3HG2      THR  77 122.564   6.072   6.072
  554    H    LEU  78           H        LEU  78 125.542   3.552   3.552
  555    HA   LEU  78           HA       LEU  78 124.977   1.631   1.631
  556   1HB   LEU  78          2HB       LEU  78 125.540   0.883   0.883
  557   2HB   LEU  78          1HB       LEU  78 124.748  -0.357  -0.357
  558    HG   LEU  78           HG       LEU  78 127.368   1.033   1.033
  559   1HD1  LEU  78          1HD1      LEU  78 127.455  -0.791  -0.791
  560   2HD1  LEU  78          3HD1      LEU  78 126.673  -1.874  -1.874
  561   3HD1  LEU  78          2HD1      LEU  78 128.283  -1.240  -1.240
  562   1HD2  LEU  78          1HD2      LEU  78 125.426  -0.251  -0.251
  563   2HD2  LEU  78          3HD2      LEU  78 126.896   0.628   0.628
  564   3HD2  LEU  78          2HD2      LEU  78 126.974  -1.090  -1.090
  565    H    THR  79           H        THR  79 122.717   3.306   3.306
  566    HA   THR  79           HA       THR  79 120.561   1.681   1.681
  567    HB   THR  79           HB       THR  79 119.463   3.737   3.737
  568    HG1  THR  79           HG1      THR  79 121.056   5.006   5.006
  569   1HG2  THR  79          1HG2      THR  79 119.433   3.001   3.001
  570   2HG2  THR  79          3HG2      THR  79 120.502   4.396   4.396
  571   3HG2  THR  79          2HG2      THR  79 118.879   4.590   4.590
  572    H    ARG  80           H        ARG  80 120.605  -0.274  -0.274
  573    HA   ARG  80           HA       ARG  80 120.493  -0.284  -0.284
  574   1HB   ARG  80          2HB       ARG  80 120.194  -2.166  -2.166
  575   2HB   ARG  80          1HB       ARG  80 119.443  -2.667  -2.667
  576   1HG   ARG  80          2HG       ARG  80 121.849  -1.750  -1.750
  577   2HG   ARG  80          1HG       ARG  80 122.308  -2.382  -2.382
  578   1HD   ARG  80          2HD       ARG  80 121.914  -4.555  -4.555
  579   2HD   ARG  80          1HD       ARG  80 120.515  -4.120  -4.120
  580    HE   ARG  80           HE       ARG  80 121.980  -3.807  -3.807
  581   1HH1  ARG  80          1HH2      ARG  80 123.749  -5.654  -5.654
  582   2HH1  ARG  80          2HH2      ARG  80 125.281  -4.878  -4.878
  583   1HH2  ARG  80          2HH1      ARG  80 123.929  -2.023  -2.023
  584   2HH2  ARG  80          1HH1      ARG  80 125.384  -2.820  -2.820
  585    HA   PRO  81           HA       PRO  81 116.221   0.349   0.349
  586   1HB   PRO  81          2HB       PRO  81 115.644  -1.559  -1.559
  587   2HB   PRO  81          1HB       PRO  81 116.664  -0.149  -0.149
  588   1HG   PRO  81          2HG       PRO  81 117.468  -2.949  -2.949
  589   2HG   PRO  81          1HG       PRO  81 118.137  -1.828  -1.828
  590   1HD   PRO  81          2HD       PRO  81 119.307  -2.323  -2.323
  591   2HD   PRO  81          1HD       PRO  81 119.463  -0.774  -0.774
  592    H    VAL  82           H        VAL  82 117.240  -2.300  -2.300
  593    HA   VAL  82           HA       VAL  82 114.734  -3.823  -3.823
  594    HB   VAL  82           HB       VAL  82 117.211  -3.935  -3.935
  595   1HG1  VAL  82          1HG1      VAL  82 115.148  -5.203  -5.203
  596   2HG1  VAL  82          3HG1      VAL  82 115.265  -6.116  -6.116
  597   3HG1  VAL  82          2HG1      VAL  82 116.556  -6.221  -6.221
  598   1HG2  VAL  82          2HG2      VAL  82 116.631  -5.288  -5.288
  599   2HG2  VAL  82          1HG2      VAL  82 117.864  -4.063  -4.063
  600   3HG2  VAL  82          3HG2      VAL  82 118.008  -5.655  -5.655
  601    H    HIS  83           H        HIS  83 116.395  -1.376  -1.376
  602    HA   HIS  83           HA       HIS  83 114.784  -1.634  -1.634
  603   1HB   HIS  83          2HB       HIS  83 116.300   0.722   0.722
  604   2HB   HIS  83          1HB       HIS  83 115.730   0.622   0.622
  605    HD2  HIS  83           HD2      HIS  83 117.897  -0.142  -0.142
  606    HE1  HIS  83           HE1      HIS  83 119.662  -2.863  -2.863
  607    HE2  HIS  83           HE2      HIS  83 119.827  -1.805  -1.805
  608    H    ASP  84           H        ASP  84 114.594   0.437   0.437
  609    HA   ASP  84           HA       ASP  84 112.414   2.083   2.083
  610   1HB   ASP  84          2HB       ASP  84 113.760   1.002   1.002
  611   2HB   ASP  84          1HB       ASP  84 112.116   1.566   1.566
  612    H    ALA  85           H        ALA  85 112.234  -1.052  -1.052
  613    HA   ALA  85           HA       ALA  85 109.439  -1.233  -1.233
  614   1HB   ALA  85          1HB       ALA  85 111.458  -2.721  -2.721
  615   2HB   ALA  85          3HB       ALA  85 111.157  -3.604  -3.604
  616   3HB   ALA  85          2HB       ALA  85 109.893  -3.486  -3.486
  617    H    ALA  86           H        ALA  86 111.341  -2.897  -2.897
  618    HA   ALA  86           HA       ALA  86 109.169  -3.599  -3.599
  619   1HB   ALA  86          3HB       ALA  86 111.923  -3.894  -3.894
  620   2HB   ALA  86          2HB       ALA  86 111.678  -2.926  -2.926
  621   3HB   ALA  86          1HB       ALA  86 110.876  -4.487  -4.487
  622    H    ARG  87           H        ARG  87 111.435  -0.841  -0.841
  623    HA   ARG  87           HA       ARG  87 110.410   0.482   0.482
  624   1HB   ARG  87          2HB       ARG  87 112.351   1.207   1.207
  625   2HB   ARG  87          1HB       ARG  87 111.355   1.557   1.557
  626   1HG   ARG  87          2HG       ARG  87 111.555   3.687   3.687
  627   2HG   ARG  87          1HG       ARG  87 110.091   3.155   3.155
  628   1HD   ARG  87          2HD       ARG  87 111.234   2.732   2.732
  629   2HD   ARG  87          1HD       ARG  87 112.817   2.698   2.698
  630    HE   ARG  87           HE       ARG  87 111.305   5.225   5.225
  631   1HH1  ARG  87          2HH1      ARG  87 114.372   4.260   4.260
  632   2HH1  ARG  87          1HH1      ARG  87 114.942   5.232   5.232
  633   1HH2  ARG  87          1HH2      ARG  87 111.764   6.114   6.114
  634   2HH2  ARG  87          2HH2      ARG  87 113.464   6.285   6.285
  635    H    GLU  88           H        GLU  88 108.859   0.242   0.242
  636    HA   GLU  88           HA       GLU  88 106.752   2.175   2.175
  637   1HB   GLU  88          2HB       GLU  88 107.960   2.431   2.431
  638   2HB   GLU  88          1HB       GLU  88 107.279   0.884   0.884
  639   1HG   GLU  88          2HG       GLU  88 105.928   2.782   2.782
  640   2HG   GLU  88          1HG       GLU  88 105.005   1.778   1.778
  641    H    GLY  89           H        GLY  89 107.302  -1.155  -1.155
  642   1HA   GLY  89          2HA       GLY  89 105.803  -2.881  -2.881
  643   2HA   GLY  89          1HA       GLY  89 104.487  -1.709  -1.709
  644    H    PHE  90           H        PHE  90 106.588  -1.874  -1.874
  645    HA   PHE  90           HA       PHE  90 104.348  -3.058  -3.058
  646   1HB   PHE  90          2HB       PHE  90 105.873  -0.800  -0.800
  647   2HB   PHE  90          1HB       PHE  90 106.698  -1.938  -1.938
  648    HD1  PHE  90           HD1      PHE  90 105.224  -3.319  -3.319
  649    HD2  PHE  90           HD2      PHE  90 103.893   0.248   0.248
  650    HE1  PHE  90           HE1      PHE  90 103.430  -3.055  -3.055
  651    HE2  PHE  90           HE2      PHE  90 102.096   0.511   0.511
  652    HZ   PHE  90           HZ       PHE  90 101.876  -1.136  -1.136
  653    H    LEU  91           H        LEU  91 104.695  -5.284  -5.284
  654    HA   LEU  91           HA       LEU  91 107.275  -6.570  -6.570
  655   1HB   LEU  91          2HB       LEU  91 104.793  -7.217  -7.217
  656   2HB   LEU  91          1HB       LEU  91 104.783  -8.024  -8.024
  657    HG   LEU  91           HG       LEU  91 107.083  -8.336  -8.336
  658   1HD1  LEU  91          3HD1      LEU  91 104.607 -10.065 -10.065
  659   2HD1  LEU  91          2HD1      LEU  91 106.026 -10.452 -10.452
  660   3HD1  LEU  91          1HD1      LEU  91 105.020  -9.066  -9.066
  661   1HD2  LEU  91          3HD2      LEU  91 106.173  -9.543  -9.543
  662   2HD2  LEU  91          2HD2      LEU  91 107.809  -9.192  -9.192
  663   3HD2  LEU  91          1HD2      LEU  91 106.957 -10.613 -10.613
  664    H    ASP  92           H        ASP  92 104.671  -5.951  -5.951
  665    HA   ASP  92           HA       ASP  92 105.469  -7.510  -7.510
  666   1HB   ASP  92          2HB       ASP  92 104.372  -4.692  -4.692
  667   2HB   ASP  92          1HB       ASP  92 104.408  -5.652  -5.652
  668    H    THR  93           H        THR  93 106.727  -4.309  -4.309
  669    HA   THR  93           HA       THR  93 108.420  -3.814  -3.814
  670    HB   THR  93           HB       THR  93 108.637  -3.174  -3.174
  671    HG1  THR  93           HG1      THR  93 106.871  -2.415  -2.415
  672   1HG2  THR  93          3HG2      THR  93 110.372  -2.446  -2.446
  673   2HG2  THR  93          2HG2      THR  93 110.010  -1.181  -1.181
  674   3HG2  THR  93          1HG2      THR  93 110.802  -2.667  -2.667
  675    H    LEU  94           H        LEU  94 109.169  -5.528  -5.528
  676    HA   LEU  94           HA       LEU  94 111.868  -6.205  -6.205
  677   1HB   LEU  94          2HB       LEU  94 109.699  -7.568  -7.568
  678   2HB   LEU  94          1HB       LEU  94 111.393  -8.055  -8.055
  679    HG   LEU  94           HG       LEU  94 111.437  -5.267  -5.267
  680   1HD1  LEU  94          3HD1      LEU  94 109.238  -6.573  -6.573
  681   2HD1  LEU  94          2HD1      LEU  94 109.937  -4.995  -4.995
  682   3HD1  LEU  94          1HD1      LEU  94 109.055  -5.246  -5.246
  683   1HD2  LEU  94          2HD2      LEU  94 111.640  -7.569  -7.569
  684   2HD2  LEU  94          1HD2      LEU  94 112.965  -6.782  -6.782
  685   3HD2  LEU  94          3HD2      LEU  94 112.086  -5.909  -5.909
  686    H    VAL  95           H        VAL  95 108.822  -7.960  -7.960
  687    HA   VAL  95           HA       VAL  95 109.845 -10.338 -10.338
  688    HB   VAL  95           HB       VAL  95 107.485  -8.602  -8.602
  689   1HG1  VAL  95          3HG1      VAL  95 108.093 -11.497 -11.497
  690   2HG1  VAL  95          2HG1      VAL  95 106.557 -10.691 -10.691
  691   3HG1  VAL  95          1HG1      VAL  95 108.020 -10.162 -10.162
  692   1HG2  VAL  95          3HG2      VAL  95 107.976 -10.751 -10.751
  693   2HG2  VAL  95          2HG2      VAL  95 107.058  -9.255  -9.255
  694   3HG2  VAL  95          1HG2      VAL  95 106.373 -10.618 -10.618
  695    H    VAL  96           H        VAL  96 109.191  -7.248  -7.248
  696    HA   VAL  96           HA       VAL  96 110.144  -8.001  -8.001
  697    HB   VAL  96           HB       VAL  96 110.313  -5.298  -5.298
  698   1HG1  VAL  96          2HG1      VAL  96 111.419  -5.694  -5.694
  699   2HG1  VAL  96          1HG1      VAL  96 109.791  -5.933  -5.933
  700   3HG1  VAL  96          3HG1      VAL  96 110.242  -4.383  -4.383
  701   1HG2  VAL  96          3HG2      VAL  96 108.004  -6.942  -6.942
  702   2HG2  VAL  96          2HG2      VAL  96 108.061  -5.480  -5.480
  703   3HG2  VAL  96          1HG2      VAL  96 107.991  -5.358  -5.358
  704    H    LEU  97           H        LEU  97 111.791  -6.548  -6.548
  705    HA   LEU  97           HA       LEU  97 114.361  -6.155  -6.155
  706   1HB   LEU  97          2HB       LEU  97 113.107  -6.506  -6.506
  707   2HB   LEU  97          1HB       LEU  97 114.840  -6.824  -6.824
  708    HG   LEU  97           HG       LEU  97 114.823  -4.551  -4.551
  709   1HD1  LEU  97          2HD1      LEU  97 112.313  -4.517  -4.517
  710   2HD1  LEU  97          1HD1      LEU  97 113.173  -3.025  -3.025
  711   3HD1  LEU  97          3HD1      LEU  97 112.521  -4.012  -4.012
  712   1HD2  LEU  97          2HD2      LEU  97 115.956  -5.165  -5.165
  713   2HD2  LEU  97          1HD2      LEU  97 115.582  -3.461  -3.461
  714   3HD2  LEU  97          3HD2      LEU  97 114.550  -4.445  -4.445
  715    H    HIS  98           H        HIS  98 113.294  -8.954  -8.954
  716    HA   HIS  98           HA       HIS  98 115.611 -10.553 -10.553
  717   1HB   HIS  98          2HB       HIS  98 113.710 -10.654 -10.654
  718   2HB   HIS  98          1HB       HIS  98 112.891 -11.669 -11.669
  719    HD1  HIS  98           HD1      HIS  98 113.555 -13.217 -13.217
  720    HD2  HIS  98           HD2      HIS  98 116.434 -12.575 -12.575
  721    HE1  HIS  98           HE1      HIS  98 115.303 -15.022 -15.022
  722    H    ARG  99           H        ARG  99 112.447 -10.266 -10.266
  723    HA   ARG  99           HA       ARG  99 112.651 -12.516 -12.516
  724   1HB   ARG  99          2HB       ARG  99 110.621 -11.149 -11.149
  725   2HB   ARG  99          1HB       ARG  99 111.330  -9.822  -9.822
  726   1HG   ARG  99          2HG       ARG  99 111.555 -11.581 -11.581
  727   2HG   ARG  99          1HG       ARG  99 110.366 -12.499 -12.499
  728   1HD   ARG  99          2HD       ARG  99 108.777 -11.250 -11.250
  729   2HD   ARG  99          1HD       ARG  99 109.337  -9.884  -9.884
  730    HE   ARG  99           HE       ARG  99 110.277  -9.012  -9.012
  731   1HH1  ARG  99          1HH2      ARG  99 108.950 -11.833 -11.833
  732   2HH1  ARG  99          2HH2      ARG  99 110.158 -12.212 -12.212
  733   1HH2  ARG  99          2HH1      ARG  99 112.369  -9.774  -9.774
  734   2HH2  ARG  99          1HH1      ARG  99 112.096 -11.052 -11.052
  735    H    ALA 100           H        ALA 100 114.426  -9.562  -9.562
  736    HA   ALA 100           HA       ALA 100 115.574 -10.280 -10.280
  737   1HB   ALA 100          1HB       ALA 100 113.701  -8.372  -8.372
  738   2HB   ALA 100          3HB       ALA 100 115.128  -7.414  -7.414
  739   3HB   ALA 100          2HB       ALA 100 115.022  -8.239  -8.239
  740    H    GLY 101           H        GLY 101 116.940 -10.944 -10.944
  741   1HA   GLY 101          2HA       GLY 101 118.982 -10.677 -10.677
  742   2HA   GLY 101          1HA       GLY 101 119.416  -9.633  -9.633
  743    H    ALA 102           H        ALA 102 118.666  -9.743  -9.743
  744    HA   ALA 102           HA       ALA 102 119.108  -6.835  -6.835
  745   1HB   ALA 102          2HB       ALA 102 116.539  -8.240  -8.240
  746   2HB   ALA 102          1HB       ALA 102 116.960  -6.610  -6.610
  747   3HB   ALA 102          3HB       ALA 102 116.713  -6.952  -6.952
  748    H    ARG 103           H        ARG 103 120.915  -7.337  -7.337
  749    HA   ARG 103           HA       ARG 103 121.171  -9.300  -9.300
  750   1HB   ARG 103          2HB       ARG 103 122.889  -7.694  -7.694
  751   2HB   ARG 103          1HB       ARG 103 122.217  -6.456  -6.456
  752   1HG   ARG 103          2HG       ARG 103 123.081  -7.419  -7.419
  753   2HG   ARG 103          1HG       ARG 103 122.907  -9.059  -9.059
  754   1HD   ARG 103          2HD       ARG 103 124.975  -7.093  -7.093
  755   2HD   ARG 103          1HD       ARG 103 125.314  -8.309  -8.309
  756    HE   ARG 103           HE       ARG 103 124.462 -10.012 -10.012
  757   1HH1  ARG 103          2HH1      ARG 103 126.981  -7.989  -7.989
  758   2HH1  ARG 103          1HH1      ARG 103 126.942  -8.017  -8.017
  759   1HH2  ARG 103          1HH2      ARG 103 123.869  -9.616  -9.616
  760   2HH2  ARG 103          2HH2      ARG 103 125.182  -8.944  -8.944
  761    H    LEU 104           H        LEU 104 119.799  -9.668  -9.668
  762    HA   LEU 104           HA       LEU 104 118.426  -7.355  -7.355
  763   1HB   LEU 104          2HB       LEU 104 117.715 -10.001 -10.001
  764   2HB   LEU 104          1HB       LEU 104 117.487  -9.899  -9.899
  765    HG   LEU 104           HG       LEU 104 116.511  -7.477  -7.477
  766   1HD1  LEU 104          3HD1      LEU 104 115.387 -10.052 -10.052
  767   2HD1  LEU 104          2HD1      LEU 104 114.667  -8.452  -8.452
  768   3HD1  LEU 104          1HD1      LEU 104 116.244  -8.803  -8.803
  769   1HD2  LEU 104          3HD2      LEU 104 115.559  -9.707  -9.707
  770   2HD2  LEU 104          2HD2      LEU 104 115.464  -7.965  -7.965
  771   3HD2  LEU 104          1HD2      LEU 104 114.312  -8.759  -8.759
  772    H    ASP 105           H        ASP 105 121.198  -9.072  -9.072
  773    HA   ASP 105           HA       ASP 105 120.885  -9.151  -9.151
  774   1HB   ASP 105          2HB       ASP 105 122.873 -10.728 -10.728
  775   2HB   ASP 105          1HB       ASP 105 121.384 -11.313 -11.313
  776    H    VAL 106           H        VAL 106 121.346  -6.627  -6.627
  777    HA   VAL 106           HA       VAL 106 124.291  -6.190  -6.190
  778    HB   VAL 106           HB       VAL 106 122.865  -5.413  -5.413
  779   1HG1  VAL 106          2HG1      VAL 106 121.294  -4.317  -4.317
  780   2HG1  VAL 106          1HG1      VAL 106 122.140  -2.933  -2.933
  781   3HG1  VAL 106          3HG1      VAL 106 121.159  -3.974  -3.974
  782   1HG2  VAL 106          1HG2      VAL 106 125.116  -4.375  -4.375
  783   2HG2  VAL 106          3HG2      VAL 106 124.495  -3.902  -3.902
  784   3HG2  VAL 106          2HG2      VAL 106 124.075  -2.958  -2.958
  785    H    ARG 107           H        ARG 107 124.590  -3.808  -3.808
  786    HA   ARG 107           HA       ARG 107 122.863  -3.587  -3.587
  787   1HB   ARG 107          2HB       ARG 107 125.890  -3.345  -3.345
  788   2HB   ARG 107          1HB       ARG 107 124.942  -3.183  -3.183
  789   1HG   ARG 107          2HG       ARG 107 124.346  -5.469  -5.469
  790   2HG   ARG 107          1HG       ARG 107 124.787  -5.685  -5.685
  791   1HD   ARG 107          2HD       ARG 107 127.097  -5.693  -5.693
  792   2HD   ARG 107          1HD       ARG 107 126.873  -4.886  -4.886
  793    HE   ARG 107           HE       ARG 107 126.498  -7.018  -7.018
  794   1HH1  ARG 107          1HH2      ARG 107 127.132  -7.628  -7.628
  795   2HH1  ARG 107          2HH2      ARG 107 126.107  -9.016  -9.016
  796   1HH2  ARG 107          2HH1      ARG 107 124.561  -8.542  -8.542
  797   2HH2  ARG 107          1HH1      ARG 107 124.652  -9.536  -9.536
  798    H    ASP 108           H        ASP 108 122.688  -1.388  -1.388
  799    HA   ASP 108           HA       ASP 108 122.920   0.643   0.643
  800   1HB   ASP 108          2HB       ASP 108 121.505   0.178   0.178
  801   2HB   ASP 108          1HB       ASP 108 122.248   1.775   1.775
  802    H    ALA 109           H        ALA 109 125.467  -0.129  -0.129
  803    HA   ALA 109           HA       ALA 109 127.621   0.699   0.699
  804   1HB   ALA 109          2HB       ALA 109 126.429   2.769   2.769
  805   2HB   ALA 109          1HB       ALA 109 126.130   3.187   3.187
  806   3HB   ALA 109          3HB       ALA 109 127.782   3.091   3.091
  807    H    TRP 110           H        TRP 110 125.721   2.310   2.310
  808    HA   TRP 110           HA       TRP 110 127.694   1.807   1.807
  809   1HB   TRP 110          2HB       TRP 110 124.727   2.385   2.385
  810   2HB   TRP 110          1HB       TRP 110 125.903   2.590   2.590
  811    HD1  TRP 110           HD1      TRP 110 128.241   4.016   4.016
  812    HE1  TRP 110           HE1      TRP 110 128.040   6.354   6.354
  813    HE3  TRP 110           HE3      TRP 110 123.221   4.133   4.133
  814    HZ2  TRP 110           HZ2      TRP 110 126.009   8.046   8.046
  815    HZ3  TRP 110           HZ3      TRP 110 122.181   6.112   6.112
  816    HH2  TRP 110           HH2      TRP 110 123.569   8.058   8.058
  817    H    GLY 111           H        GLY 111 124.750   0.032   0.032
  818   1HA   GLY 111          2HA       GLY 111 125.413  -2.520  -2.520
  819   2HA   GLY 111          1HA       GLY 111 125.172  -1.900  -1.900
  820    H    ARG 112           H        ARG 112 123.059  -0.012  -0.012
  821    HA   ARG 112           HA       ARG 112 120.716  -1.342  -1.342
  822   1HB   ARG 112          2HB       ARG 112 121.360   0.861   0.861
  823   2HB   ARG 112          1HB       ARG 112 119.691   0.374   0.374
  824   1HG   ARG 112          2HG       ARG 112 120.163   0.713   0.713
  825   2HG   ARG 112          1HG       ARG 112 121.669   1.490   1.490
  826   1HD   ARG 112          2HD       ARG 112 120.595   3.350   3.350
  827   2HD   ARG 112          1HD       ARG 112 119.174   2.418   2.418
  828    HE   ARG 112           HE       ARG 112 118.654   2.220   2.220
  829   1HH1  ARG 112          1HH2      ARG 112 118.546   5.038   5.038
  830   2HH1  ARG 112          2HH2      ARG 112 119.063   6.044   6.044
  831   1HH2  ARG 112          2HH1      ARG 112 120.186   3.396   3.396
  832   2HH2  ARG 112          1HH1      ARG 112 119.988   5.114   5.114
  833    H    LEU 113           H        LEU 113 119.374  -2.835  -2.835
  834    HA   LEU 113           HA       LEU 113 120.158  -3.780  -3.780
  835   1HB   LEU 113          2HB       LEU 113 119.789  -5.057  -5.057
  836   2HB   LEU 113          1HB       LEU 113 118.425  -5.553  -5.553
  837    HG   LEU 113           HG       LEU 113 120.621  -5.673  -5.673
  838   1HD1  LEU 113          3HD1      LEU 113 121.540  -5.929  -5.929
  839   2HD1  LEU 113          2HD1      LEU 113 121.717  -7.480  -7.480
  840   3HD1  LEU 113          1HD1      LEU 113 122.471  -6.033  -6.033
  841   1HD2  LEU 113          2HD2      LEU 113 118.560  -7.331  -7.331
  842   2HD2  LEU 113          1HD2      LEU 113 119.667  -7.680  -7.680
  843   3HD2  LEU 113          3HD2      LEU 113 120.042  -8.236  -8.236
  844    HA   PRO 114           HA       PRO 114 116.214  -2.610  -2.610
  845   1HB   PRO 114          2HB       PRO 114 115.614  -4.667  -4.667
  846   2HB   PRO 114          1HB       PRO 114 116.842  -3.436  -3.436
  847   1HG   PRO 114          2HG       PRO 114 117.188  -6.211  -6.211
  848   2HG   PRO 114          1HG       PRO 114 118.150  -5.320  -5.320
  849   1HD   PRO 114          2HD       PRO 114 118.928  -5.655  -5.655
  850   2HD   PRO 114          1HD       PRO 114 119.378  -4.234  -4.234
  851    H    VAL 115           H        VAL 115 116.547  -5.718  -5.718
  852    HA   VAL 115           HA       VAL 115 113.637  -6.160  -6.160
  853    HB   VAL 115           HB       VAL 115 115.514  -7.908  -7.908
  854   1HG1  VAL 115          1HG1      VAL 115 116.757  -6.763  -6.763
  855   2HG1  VAL 115          3HG1      VAL 115 115.665  -7.717  -7.717
  856   3HG1  VAL 115          2HG1      VAL 115 116.768  -8.521  -8.521
  857   1HG2  VAL 115          1HG2      VAL 115 113.404  -8.118  -8.118
  858   2HG2  VAL 115          3HG2      VAL 115 113.233  -8.574  -8.574
  859   3HG2  VAL 115          2HG2      VAL 115 114.300  -9.498  -9.498
  860    H    ASP 116           H        ASP 116 116.246  -4.930  -4.930
  861    HA   ASP 116           HA       ASP 116 114.912  -4.968  -4.968
  862   1HB   ASP 116          2HB       ASP 116 117.305  -4.522  -4.522
  863   2HB   ASP 116          1HB       ASP 116 116.930  -3.042  -3.042
  864    H    LEU 117           H        LEU 117 114.476  -2.950  -2.950
  865    HA   LEU 117           HA       LEU 117 113.156  -0.731  -0.731
  866   1HB   LEU 117          2HB       LEU 117 113.417  -1.732  -1.732
  867   2HB   LEU 117          1HB       LEU 117 112.493  -0.282  -0.282
  868    HG   LEU 117           HG       LEU 117 115.381  -0.702  -0.702
  869   1HD1  LEU 117          2HD1      LEU 117 114.819  -0.528  -0.528
  870   2HD1  LEU 117          1HD1      LEU 117 114.456   1.160   1.160
  871   3HD1  LEU 117          3HD1      LEU 117 116.073   0.521   0.521
  872   1HD2  LEU 117          2HD2      LEU 117 113.423   1.597   1.597
  873   2HD2  LEU 117          1HD2      LEU 117 114.379   0.906   0.906
  874   3HD2  LEU 117          3HD2      LEU 117 115.166   1.866   1.866
  875    H    ALA 118           H        ALA 118 112.007  -3.565  -3.565
  876    HA   ALA 118           HA       ALA 118 109.202  -2.932  -2.932
  877   1HB   ALA 118          3HB       ALA 118 110.892  -5.327  -5.327
  878   2HB   ALA 118          2HB       ALA 118 109.149  -5.525  -5.525
  879   3HB   ALA 118          1HB       ALA 118 109.785  -4.423  -4.423
  880    H    GLU 119           H        GLU 119 111.453  -4.835  -4.835
  881    HA   GLU 119           HA       GLU 119 109.568  -6.073  -6.073
  882   1HB   GLU 119          2HB       GLU 119 112.453  -5.362  -5.362
  883   2HB   GLU 119          1HB       GLU 119 111.775  -5.685  -5.685
  884   1HG   GLU 119          2HG       GLU 119 110.699  -7.760  -7.760
  885   2HG   GLU 119          1HG       GLU 119 112.109  -7.526  -7.526
  886    H    GLU 120           H        GLU 120 111.160  -2.893  -2.893
  887    HA   GLU 120           HA       GLU 120 109.959  -2.145  -2.145
  888   1HB   GLU 120          2HB       GLU 120 112.117  -1.379  -1.379
  889   2HB   GLU 120          1HB       GLU 120 110.985  -0.056  -0.056
  890   1HG   GLU 120          2HG       GLU 120 111.385  -1.027  -1.027
  891   2HG   GLU 120          1HG       GLU 120 112.618   0.008   0.008
  892    H    LEU 121           H        LEU 121 109.612  -0.875  -0.875
  893    HA   LEU 121           HA       LEU 121 107.400   0.814   0.814
  894   1HB   LEU 121          2HB       LEU 121 108.608  -0.716  -0.716
  895   2HB   LEU 121          1HB       LEU 121 107.005  -0.032  -0.032
  896    HG   LEU 121           HG       LEU 121 108.966   1.778   1.778
  897   1HD1  LEU 121          3HD1      LEU 121 109.856   0.293   0.293
  898   2HD1  LEU 121          2HD1      LEU 121 109.281   1.794   1.794
  899   3HD1  LEU 121          1HD1      LEU 121 110.514   1.838   1.838
  900   1HD2  LEU 121          3HD2      LEU 121 106.553   2.247   2.247
  901   2HD2  LEU 121          2HD2      LEU 121 107.795   3.419   3.419
  902   3HD2  LEU 121          1HD2      LEU 121 107.238   2.240   2.240
  903    H    GLY 122           H        GLY 122 106.794  -2.077  -2.077
  904   1HA   GLY 122          2HA       GLY 122 105.234  -3.672  -3.672
  905   2HA   GLY 122          1HA       GLY 122 104.141  -2.357  -2.357
  906    H    HIS 123           H        HIS 123 106.686  -3.781  -3.781
  907    HA   HIS 123           HA       HIS 123 104.585  -4.434  -4.434
  908   1HB   HIS 123          2HB       HIS 123 107.597  -4.287  -4.287
  909   2HB   HIS 123          1HB       HIS 123 106.369  -4.170  -4.170
  910    HD1  HIS 123           HD1      HIS 123 104.460  -2.111  -2.111
  911    HD2  HIS 123           HD2      HIS 123 108.590  -1.708  -1.708
  912    HE1  HIS 123           HE1      HIS 123 104.907   0.355   0.355
  913    H    ARG 124           H        ARG 124 104.509  -6.236  -6.236
  914    HA   ARG 124           HA       ARG 124 106.285  -8.360  -8.360
  915   1HB   ARG 124          2HB       ARG 124 103.265  -8.540  -8.540
  916   2HB   ARG 124          1HB       ARG 124 104.294  -9.668  -9.668
  917   1HG   ARG 124          2HG       ARG 124 105.018  -7.341  -7.341
  918   2HG   ARG 124          1HG       ARG 124 103.346  -6.966  -6.966
  919   1HD   ARG 124          2HD       ARG 124 102.716  -8.136  -8.136
  920   2HD   ARG 124          1HD       ARG 124 103.311  -9.603  -9.603
  921    HE   ARG 124           HE       ARG 124 105.637  -8.684  -8.684
  922   1HH1  ARG 124          1HH2      ARG 124 103.484  -6.949  -6.949
  923   2HH1  ARG 124          2HH2      ARG 124 103.677  -7.703  -7.703
  924   1HH2  ARG 124          2HH1      ARG 124 105.500 -10.380 -10.380
  925   2HH2  ARG 124          1HH1      ARG 124 104.820  -9.647  -9.647
  926    H    ASP 125           H        ASP 125 103.915  -7.823  -7.823
  927    HA   ASP 125           HA       ASP 125 104.260 -10.258 -10.258
  928   1HB   ASP 125          2HB       ASP 125 103.701  -7.439  -7.439
  929   2HB   ASP 125          1HB       ASP 125 103.331  -8.925  -8.925
  930    H    VAL 126           H        VAL 126 106.018  -7.157  -7.157
  931    HA   VAL 126           HA       VAL 126 107.814  -8.165  -8.165
  932    HB   VAL 126           HB       VAL 126 108.263  -5.680  -5.680
  933   1HG1  VAL 126          1HG1      VAL 126 109.076  -6.791  -6.791
  934   2HG1  VAL 126          3HG1      VAL 126 108.582  -5.099  -5.099
  935   3HG1  VAL 126          2HG1      VAL 126 109.880  -5.598  -5.598
  936   1HG2  VAL 126          2HG2      VAL 126 106.136  -6.135  -6.135
  937   2HG2  VAL 126          1HG2      VAL 126 105.902  -5.534  -5.534
  938   3HG2  VAL 126          3HG2      VAL 126 106.719  -4.531  -4.531
  939    H    ALA 127           H        ALA 127 108.088  -7.352  -7.352
  940    HA   ALA 127           HA       ALA 127 110.836  -7.874  -7.874
  941   1HB   ALA 127          2HB       ALA 127 108.378  -7.694  -7.694
  942   2HB   ALA 127          1HB       ALA 127 109.557  -8.791  -8.791
  943   3HB   ALA 127          3HB       ALA 127 109.999  -7.117  -7.117
  944    H    ARG 128           H        ARG 128 108.112 -10.174 -10.174
  945    HA   ARG 128           HA       ARG 128 109.766 -12.458 -12.458
  946   1HB   ARG 128          2HB       ARG 128 106.979 -12.033 -12.033
  947   2HB   ARG 128          1HB       ARG 128 107.626 -13.649 -13.649
  948   1HG   ARG 128          2HG       ARG 128 107.778 -13.311 -13.311
  949   2HG   ARG 128          1HG       ARG 128 107.805 -11.555 -11.555
  950   1HD   ARG 128          2HD       ARG 128 105.500 -11.401 -11.401
  951   2HD   ARG 128          1HD       ARG 128 105.351 -13.009 -13.009
  952    HE   ARG 128           HE       ARG 128 105.630 -12.457 -12.457
  953   1HH1  ARG 128          1HH2      ARG 128 106.059 -14.774 -14.774
  954   2HH1  ARG 128          2HH2      ARG 128 105.555 -16.114 -16.114
  955   1HH2  ARG 128          2HH1      ARG 128 104.782 -14.183 -14.183
  956   2HH2  ARG 128          1HH1      ARG 128 104.840 -15.783 -15.783
  957    H    TYR 129           H        TYR 129 108.292 -11.354 -11.354
  958    HA   TYR 129           HA       TYR 129 109.499 -13.455 -13.455
  959   1HB   TYR 129          2HB       TYR 129 107.498 -12.331 -12.331
  960   2HB   TYR 129          1HB       TYR 129 108.275 -10.752 -10.752
  961    HD1  TYR 129           HD2      TYR 129 110.067 -10.111 -10.111
  962    HD2  TYR 129           HD1      TYR 129 107.848 -13.767 -13.767
  963    HE1  TYR 129           HE2      TYR 129 110.855 -10.325 -10.325
  964    HE2  TYR 129           HE1      TYR 129 108.639 -13.981 -13.981
  965    HH   TYR 129           HH       TYR 129 111.164 -12.036 -12.036
  966    H    LEU 130           H        LEU 130 110.246  -9.930  -9.930
  967    HA   LEU 130           HA       LEU 130 112.575 -10.006 -10.006
  968   1HB   LEU 130          2HB       LEU 130 112.860  -7.813  -7.813
  969   2HB   LEU 130          1HB       LEU 130 111.166  -8.072  -8.072
  970    HG   LEU 130           HG       LEU 130 112.095  -8.855  -8.855
  971   1HD1  LEU 130          1HD1      LEU 130 114.504  -8.297  -8.297
  972   2HD1  LEU 130          3HD1      LEU 130 114.239  -6.879  -6.879
  973   3HD1  LEU 130          2HD1      LEU 130 114.288  -8.484  -8.484
  974   1HD2  LEU 130          1HD2      LEU 130 111.609  -6.164  -6.164
  975   2HD2  LEU 130          3HD2      LEU 130 110.880  -6.937  -6.937
  976   3HD2  LEU 130          2HD2      LEU 130 112.461  -6.177  -6.177
  977    H    ARG 131           H        ARG 131 112.187 -10.824 -10.824
  978    HA   ARG 131           HA       ARG 131 114.982 -10.911 -10.911
  979   1HB   ARG 131          2HB       ARG 131 113.275 -10.802 -10.802
  980   2HB   ARG 131          1HB       ARG 131 112.466 -12.233 -12.233
  981   1HG   ARG 131          2HG       ARG 131 114.557 -13.548 -13.548
  982   2HG   ARG 131          1HG       ARG 131 115.147 -12.110 -12.110
  983   1HD   ARG 131          2HD       ARG 131 112.926 -12.147 -12.147
  984   2HD   ARG 131          1HD       ARG 131 112.715 -13.787 -13.787
  985    HE   ARG 131           HE       ARG 131 115.152 -12.980 -12.980
  986   1HH1  ARG 131          2HH1      ARG 131 113.609 -15.524 -15.524
  987   2HH1  ARG 131          1HH1      ARG 131 113.726 -16.636 -16.636
  988   1HH2  ARG 131          1HH2      ARG 131 114.902 -14.264 -14.264
  989   2HH2  ARG 131          2HH2      ARG 131 114.460 -15.925 -15.925
  990    H    ALA 132           H        ALA 132 112.738 -13.336 -13.336
  991    HA   ALA 132           HA       ALA 132 114.473 -15.606 -15.606
  992   1HB   ALA 132          2HB       ALA 132 111.904 -15.139 -15.139
  993   2HB   ALA 132          1HB       ALA 132 112.606 -15.303 -15.303
  994   3HB   ALA 132          3HB       ALA 132 112.745 -16.624 -16.624
  995    H    ALA 133           H        ALA 133 114.091 -13.065 -13.065
  996    HA   ALA 133           HA       ALA 133 116.107 -14.259 -14.259
  997   1HB   ALA 133          3HB       ALA 133 113.931 -12.316 -12.316
  998   2HB   ALA 133          2HB       ALA 133 115.372 -11.707 -11.707
  999   3HB   ALA 133          1HB       ALA 133 114.643 -13.226 -13.226
 1000    H    ALA 134           H        ALA 134 115.903 -11.912 -11.912
 1001    HA   ALA 134           HA       ALA 134 118.407 -10.541 -10.541
 1002   1HB   ALA 134          1HB       ALA 134 116.394  -9.329  -9.329
 1003   2HB   ALA 134          3HB       ALA 134 116.551 -10.186 -10.186
 1004   3HB   ALA 134          2HB       ALA 134 117.805  -9.059  -9.059
 1005    H    GLY 135           H        GLY 135 117.423 -13.180 -13.180
 1006   1HA   GLY 135          2HA       GLY 135 120.020 -13.942 -13.942
 1007   2HA   GLY 135          1HA       GLY 135 119.365 -12.987 -12.987
 1008    H    GLY 136           H        GLY 136 117.311 -13.720 -13.720
 1009   1HA   GLY 136          2HA       GLY 136 116.006 -15.413 -15.413
 1010   2HA   GLY 136          1HA       GLY 136 115.996 -16.135 -16.135
 1011    H    THR 137           H        THR 137 118.809 -15.561 -15.561
 1012    HA   THR 137           HA       THR 137 120.125 -17.986 -17.986
 1013    HB   THR 137           HB       THR 137 121.185 -16.147 -16.147
 1014    HG1  THR 137           HG1      THR 137 120.826 -18.166 -18.166
 1015   1HG2  THR 137          2HG2      THR 137 118.722 -16.021 -16.021
 1016   2HG2  THR 137          1HG2      THR 137 119.980 -16.320 -16.320
 1017   3HG2  THR 137          3HG2      THR 137 120.095 -14.923 -14.923
 1018    H    ARG 138           H        ARG 138 119.790 -20.076 -20.076
 1019    HA   ARG 138           HA       ARG 138 117.491 -20.610 -20.610
 1020   1HB   ARG 138          2HB       ARG 138 119.029 -22.370 -22.370
 1021   2HB   ARG 138          1HB       ARG 138 117.552 -22.826 -22.826
 1022   1HG   ARG 138          2HG       ARG 138 117.262 -20.280 -20.280
 1023   2HG   ARG 138          1HG       ARG 138 117.689 -21.596 -21.596
 1024   1HD   ARG 138          2HD       ARG 138 115.670 -22.634 -22.634
 1025   2HD   ARG 138          1HD       ARG 138 115.610 -22.267 -22.267
 1026    HE   ARG 138           HE       ARG 138 115.189 -19.823 -19.823
 1027   1HH1  ARG 138          2HH1      ARG 138 115.021 -20.755 -20.755
 1028   2HH1  ARG 138          1HH1      ARG 138 113.308 -20.896 -20.896
 1029   1HH2  ARG 138          1HH2      ARG 138 112.612 -20.856 -20.856
 1030   2HH2  ARG 138          2HH2      ARG 138 111.945 -20.957 -20.957
 1031    H    GLY 139           H        GLY 139 118.121 -20.931 -20.931
 1032   1HA   GLY 139          2HA       GLY 139 119.514 -22.996 -22.996
 1033   2HA   GLY 139          1HA       GLY 139 120.824 -21.895 -21.895
 1034    H    SER 140           H        SER 140 120.906 -22.145 -22.145
 1035    HA   SER 140           HA       SER 140 119.091 -20.125 -20.125
 1036   1HB   SER 140          2HB       SER 140 119.926 -22.711 -22.711
 1037   2HB   SER 140          1HB       SER 140 120.837 -21.651 -21.651
 1038    HG   SER 140           HG       SER 140 118.896 -20.714 -20.714
 1039    H    ASN 141           H        ASN 141 122.477 -20.933 -20.933
 1040    HA   ASN 141           HA       ASN 141 123.255 -18.152 -18.152
 1041   1HB   ASN 141          2HB       ASN 141 123.100 -19.746 -19.746
 1042   2HB   ASN 141          1HB       ASN 141 124.740 -20.134 -20.134
 1043   1HD2  ASN 141          1HD2      ASN 141 124.772 -18.842 -18.842
 1044   2HD2  ASN 141          2HD2      ASN 141 125.145 -17.195 -17.195
 1045    H    HIS 142           H        HIS 142 123.435 -20.256 -20.256
 1046    HA   HIS 142           HA       HIS 142 126.273 -20.949 -20.949
 1047   1HB   HIS 142          2HB       HIS 142 124.230 -22.177 -22.177
 1048   2HB   HIS 142          1HB       HIS 142 124.172 -20.900 -20.900
 1049    HD1  HIS 142           HD1      HIS 142 125.359 -21.571 -21.571
 1050    HD2  HIS 142           HD2      HIS 142 127.173 -23.202 -23.202
 1051    HE1  HIS 142           HE1      HIS 142 127.350 -22.901 -22.901
 1052    H    ALA 143           H        ALA 143 124.077 -18.635 -18.635
 1053    HA   ALA 143           HA       ALA 143 126.343 -17.288 -17.288
 1054   1HB   ALA 143          3HB       ALA 143 123.333 -16.954 -16.954
 1055   2HB   ALA 143          2HB       ALA 143 124.382 -15.860 -15.860
 1056   3HB   ALA 143          1HB       ALA 143 124.317 -17.570 -17.570
 1057    H    ARG 144           H        ARG 144 126.032 -14.682 -14.682
 1058    HA   ARG 144           HA       ARG 144 126.272 -12.787 -12.787
 1059   1HB   ARG 144          2HB       ARG 144 124.027 -14.365 -14.365
 1060   2HB   ARG 144          1HB       ARG 144 124.829 -13.662 -13.662
 1061   1HG   ARG 144          2HG       ARG 144 123.861 -11.683 -11.683
 1062   2HG   ARG 144          1HG       ARG 144 124.719 -11.635 -11.635
 1063   1HD   ARG 144          2HD       ARG 144 122.912 -12.835 -12.835
 1064   2HD   ARG 144          1HD       ARG 144 122.079 -13.079 -13.079
 1065    HE   ARG 144           HE       ARG 144 122.017 -10.519 -10.519
 1066   1HH1  ARG 144          2HH1      ARG 144 123.588 -10.237 -10.237
 1067   2HH1  ARG 144          1HH1      ARG 144 122.314  -9.858  -9.858
 1068   1HH2  ARG 144          1HH2      ARG 144 119.786 -10.888 -10.888
 1069   2HH2  ARG 144          2HH2      ARG 144 120.158 -10.228 -10.228
 1070    H    ILE 145           H        ILE 145 127.682 -12.128 -12.128
 1071    HA   ILE 145           HA       ILE 145 129.510 -14.195 -14.195
 1072    HB   ILE 145           HB       ILE 145 130.145 -11.903 -11.903
 1073   1HG1  ILE 145          2HG1      ILE 145 131.083 -11.765 -11.765
 1074   2HG1  ILE 145          1HG1      ILE 145 131.197 -13.390 -13.390
 1075   1HG2  ILE 145          2HG2      ILE 145 128.079 -11.090 -11.090
 1076   2HG2  ILE 145          1HG2      ILE 145 129.549 -10.578 -10.578
 1077   3HG2  ILE 145          3HG2      ILE 145 129.235 -10.034 -10.034
 1078   1HD1  ILE 145          3HD1      ILE 145 132.176 -10.990 -10.990
 1079   2HD1  ILE 145          2HD1      ILE 145 133.208 -11.817 -11.817
 1080   3HD1  ILE 145          1HD1      ILE 145 132.588 -12.687 -12.687
 1081    H    ASP 146           H        ASP 146 129.978 -14.486 -14.486
 1082    HA   ASP 146           HA       ASP 146 127.816 -15.088 -15.088
 1083   1HB   ASP 146          2HB       ASP 146 130.566 -14.093 -14.093
 1084   2HB   ASP 146          1HB       ASP 146 129.488 -15.071 -15.071
 1085    H    ALA 147           H        ALA 147 127.055 -13.962 -13.962
 1086    HA   ALA 147           HA       ALA 147 127.564 -11.107 -11.107
 1087   1HB   ALA 147          2HB       ALA 147 125.768 -11.893 -11.893
 1088   2HB   ALA 147          1HB       ALA 147 124.728 -11.467 -11.467
 1089   3HB   ALA 147          3HB       ALA 147 125.872 -10.287 -10.287
 1090    H    ALA 148           H        ALA 148 127.926 -12.668 -12.668
 1091    HA   ALA 148           HA       ALA 148 125.620 -13.539 -13.539
 1092   1HB   ALA 148          2HB       ALA 148 128.397 -13.750 -13.750
 1093   2HB   ALA 148          1HB       ALA 148 128.014 -12.798 -12.798
 1094   3HB   ALA 148          3HB       ALA 148 127.282 -14.386 -14.386
 1095    H    GLU 149           H        GLU 149 124.504 -12.445 -12.445
 1096    HA   GLU 149           HA       GLU 149 124.545  -9.518  -9.518
 1097   1HB   GLU 149          2HB       GLU 149 123.057 -11.576 -11.576
 1098   2HB   GLU 149          1HB       GLU 149 122.694  -9.851  -9.851
 1099   1HG   GLU 149          2HG       GLU 149 121.339 -10.207 -10.207
 1100   2HG   GLU 149          1HG       GLU 149 122.779 -10.564 -10.564
 1101    H    GLY 150           H        GLY 150 125.490  -8.169  -8.169
 1102   1HA   GLY 150          2HA       GLY 150 127.256  -9.433  -9.433
 1103   2HA   GLY 150          1HA       GLY 150 127.222  -7.718  -7.718
 1104    HA   PRO 151           HA       PRO 151 124.033  -8.736  -8.736
 1105   1HB   PRO 151          2HB       PRO 151 125.250 -10.046 -10.046
 1106   2HB   PRO 151          1HB       PRO 151 124.420 -10.891 -10.891
 1107   1HG   PRO 151          2HG       PRO 151 127.314 -10.523 -10.523
 1108   2HG   PRO 151          1HG       PRO 151 126.455 -11.861 -11.861
 1109   1HD   PRO 151          2HD       PRO 151 127.848  -9.846  -9.846
 1110   2HD   PRO 151          1HD       PRO 151 126.652 -10.935 -10.935
 1111    H    SER 152           H        SER 152 126.965  -7.247  -7.247
 1112    HA   SER 152           HA       SER 152 126.757  -5.883  -5.883
 1113   1HB   SER 152          2HB       SER 152 129.163  -5.721  -5.721
 1114   2HB   SER 152          1HB       SER 152 129.078  -5.754  -5.754
 1115    HG   SER 152           HG       SER 152 129.110  -7.865  -7.865
 1116    H    ASP 153           H        ASP 153 126.372  -5.486  -5.486
 1117    HA   ASP 153           HA       ASP 153 127.136  -2.875  -2.875
 1118   1HB   ASP 153          2HB       ASP 153 126.058  -4.564  -4.564
 1119   2HB   ASP 153          1HB       ASP 153 124.518  -4.244  -4.244
 1120    H    ILE 154           H        ILE 154 126.141  -0.801  -0.801
 1121    HA   ILE 154           HA       ILE 154 124.102  -0.694  -0.694
 1122    HB   ILE 154           HB       ILE 154 126.167   1.370   1.370
 1123   1HG1  ILE 154          2HG1      ILE 154 126.263  -0.908  -0.908
 1124   2HG1  ILE 154          1HG1      ILE 154 127.437  -0.497  -0.497
 1125   1HG2  ILE 154          1HG2      ILE 154 123.928   1.772   1.772
 1126   2HG2  ILE 154          3HG2      ILE 154 124.970   1.183   1.183
 1127   3HG2  ILE 154          2HG2      ILE 154 125.437   2.609   2.609
 1128   1HD1  ILE 154          2HD1      ILE 154 127.349   1.809   1.809
 1129   2HD1  ILE 154          1HD1      ILE 154 127.185   0.535   0.535
 1130   3HD1  ILE 154          3HD1      ILE 154 128.577   0.550   0.550
 1131    HA   PRO 155           HA       PRO 155 121.782   1.158   1.158
 1132   1HB   PRO 155          2HB       PRO 155 119.342   0.974   0.974
 1133   2HB   PRO 155          1HB       PRO 155 120.102  -0.393  -0.393
 1134   1HG   PRO 155          2HG       PRO 155 119.925   0.186   0.186
 1135   2HG   PRO 155          1HG       PRO 155 119.870  -1.365  -1.365
 1136   1HD   PRO 155          2HD       PRO 155 122.075  -0.400  -0.400
 1137   2HD   PRO 155          1HD       PRO 155 122.135  -1.591  -1.591
 1138    H    ASP 156           HN       ASP 156 122.149   3.361   3.361
 1139    HA   ASP 156           HA       ASP 156 121.710   4.999   4.999
 1140   1HB   ASP 156          2HB       ASP 156 123.069   5.142   5.142
 1141   2HB   ASP 156          1HB       ASP 156 122.281   6.656   6.656

  Start of MODEL   12
    1   1H    MET   1          3H        MET   1 118.553  34.338  34.338
    2   2H    MET   1          2H        MET   1 117.717  32.976  32.976
    3   3H    MET   1          1H        MET   1 118.992  33.643  33.643
    4    HA   MET   1           HA       MET   1 120.593  32.996  32.996
    5   1HB   MET   1          2HB       MET   1 118.681  31.136  31.136
    6   2HB   MET   1          1HB       MET   1 119.810  30.423  30.423
    7   1HG   MET   1          2HG       MET   1 121.332  32.232  32.232
    8   2HG   MET   1          1HG       MET   1 120.315  31.355  31.355
    9   1HE   MET   1          1HE       MET   1 123.351  31.523  31.523
   10   2HE   MET   1          3HE       MET   1 122.886  30.350  30.350
   11   3HE   MET   1          2HE       MET   1 124.062  29.910  29.910
   12    H    GLU   2           H        GLU   2 120.856  31.423  31.423
   13    HA   GLU   2           HA       GLU   2 118.689  31.943  31.943
   14   1HB   GLU   2          2HB       GLU   2 121.668  31.600  31.600
   15   2HB   GLU   2          1HB       GLU   2 120.763  31.193  31.193
   16   1HG   GLU   2          2HG       GLU   2 119.892  33.396  33.396
   17   2HG   GLU   2          1HG       GLU   2 120.370  33.820  33.820
   18    HA   PRO   3           HA       PRO   3 117.832  27.637  27.637
   19   1HB   PRO   3          2HB       PRO   3 117.268  27.362  27.362
   20   2HB   PRO   3          1HB       PRO   3 116.178  28.181  28.181
   21   1HG   PRO   3          2HG       PRO   3 118.076  29.339  29.339
   22   2HG   PRO   3          1HG       PRO   3 116.471  29.902  29.902
   23   1HD   PRO   3          2HD       PRO   3 118.823  30.995  30.995
   24   2HD   PRO   3          1HD       PRO   3 117.285  31.074  31.074
   25    H    ALA   4           H        ALA   4 120.240  27.221  27.221
   26    HA   ALA   4           HA       ALA   4 122.208  26.021  26.021
   27   1HB   ALA   4          2HB       ALA   4 120.206  24.618  24.618
   28   2HB   ALA   4          1HB       ALA   4 120.833  25.139  25.139
   29   3HB   ALA   4          3HB       ALA   4 121.853  24.201  24.201
   30    H    ALA   5           H        ALA   5 123.879  27.362  27.362
   31    HA   ALA   5           HA       ALA   5 123.782  29.129  29.129
   32   1HB   ALA   5          1HB       ALA   5 125.272  28.794  28.794
   33   2HB   ALA   5          3HB       ALA   5 126.432  28.515  28.515
   34   3HB   ALA   5          2HB       ALA   5 125.533  30.031  30.031
   35    H    GLY   6           H        GLY   6 124.681  25.807  25.807
   36   1HA   GLY   6          2HA       GLY   6 126.627  25.514  25.514
   37   2HA   GLY   6          1HA       GLY   6 125.571  24.224  24.224
   38    H    SER   7           H        SER   7 126.432  25.328  25.328
   39    HA   SER   7           HA       SER   7 123.730  25.831  25.831
   40   1HB   SER   7          2HB       SER   7 125.015  26.605  26.605
   41   2HB   SER   7          1HB       SER   7 125.702  27.317  27.317
   42    HG   SER   7           HG       SER   7 126.923  25.853  25.853
   43    H    SER   8           H        SER   8 124.363  23.158  23.158
   44    HA   SER   8           HA       SER   8 123.856  21.662  21.662
   45   1HB   SER   8          2HB       SER   8 125.908  20.171  20.171
   46   2HB   SER   8          1HB       SER   8 126.200  21.698  21.698
   47    HG   SER   8           HG       SER   8 127.495  21.930  21.930
   48    H    MET   9           H        MET   9 123.463  19.314  19.314
   49    HA   MET   9           HA       MET   9 122.377  17.664  17.664
   50   1HB   MET   9          2HB       MET   9 124.563  18.831  18.831
   51   2HB   MET   9          1HB       MET   9 123.277  18.340  18.340
   52   1HG   MET   9          2HG       MET   9 123.352  16.191  16.191
   53   2HG   MET   9          1HG       MET   9 125.046  16.682  16.682
   54   1HE   MET   9          1HE       MET   9 126.490  17.055  17.055
   55   2HE   MET   9          3HE       MET   9 125.256  18.110  18.110
   56   3HE   MET   9          2HE       MET   9 125.956  16.812  16.812
   57    H    GLU  10           H        GLU  10 120.191  18.187  18.187
   58    HA   GLU  10           HA       GLU  10 119.225  20.311  20.311
   59   1HB   GLU  10          2HB       GLU  10 117.874  18.810  18.810
   60   2HB   GLU  10          1HB       GLU  10 117.199  20.193  20.193
   61   1HG   GLU  10          2HG       GLU  10 118.859  21.671  21.671
   62   2HG   GLU  10          1HG       GLU  10 119.859  20.336  20.336
   63    HA   PRO  11           HA       PRO  11 117.387  17.310  17.310
   64   1HB   PRO  11          2HB       PRO  11 115.100  18.575  18.575
   65   2HB   PRO  11          1HB       PRO  11 116.715  19.064  19.064
   66   1HG   PRO  11          2HG       PRO  11 114.960  20.299  20.299
   67   2HG   PRO  11          1HG       PRO  11 116.080  21.059  21.059
   68   1HD   PRO  11          2HD       PRO  11 116.600  20.639  20.639
   69   2HD   PRO  11          1HD       PRO  11 117.841  20.875  20.875
   70    H    SER  12           H        SER  12 116.383  15.440  15.440
   71    HA   SER  12           HA       SER  12 113.659  15.408  15.408
   72   1HB   SER  12          2HB       SER  12 114.487  16.161  16.161
   73   2HB   SER  12          1HB       SER  12 116.015  15.309  15.309
   74    HG   SER  12           HG       SER  12 113.498  14.034  14.034
   75    H    ALA  13           H        ALA  13 116.731  13.577  13.577
   76    HA   ALA  13           HA       ALA  13 115.503  10.978  10.978
   77   1HB   ALA  13          1HB       ALA  13 118.134  12.207  12.207
   78   2HB   ALA  13          3HB       ALA  13 118.143  10.822  10.822
   79   3HB   ALA  13          2HB       ALA  13 117.623  10.624  10.624
   80    H    ASP  14           H        ASP  14 116.154  13.348  13.348
   81    HA   ASP  14           HA       ASP  14 116.268  11.401  11.401
   82   1HB   ASP  14          2HB       ASP  14 116.148  14.433  14.433
   83   2HB   ASP  14          1HB       ASP  14 116.587  13.435  13.435
   84    H    TRP  15           H        TRP  15 113.767  12.228  12.228
   85    HA   TRP  15           HA       TRP  15 111.842  13.115  13.115
   86   1HB   TRP  15          2HB       TRP  15 111.969  12.651  12.651
   87   2HB   TRP  15          1HB       TRP  15 110.387  12.437  12.437
   88    HD1  TRP  15           HD1      TRP  15 112.585  14.938  14.938
   89    HE1  TRP  15           HE1      TRP  15 111.739  17.324  17.324
   90    HE3  TRP  15           HE3      TRP  15 109.191  13.936  13.936
   91    HZ2  TRP  15           HZ2      TRP  15 109.872  18.635  18.635
   92    HZ3  TRP  15           HZ3      TRP  15 107.896  15.771  15.771
   93    HH2  TRP  15           HH2      TRP  15 108.232  18.116  18.116
   94    H    LEU  16           H        LEU  16 112.882  10.110  10.110
   95    HA   LEU  16           HA       LEU  16 110.624   8.469   8.469
   96   1HB   LEU  16          2HB       LEU  16 112.303   6.640   6.640
   97   2HB   LEU  16          1HB       LEU  16 112.446   7.831   7.831
   98    HG   LEU  16           HG       LEU  16 114.150   8.932   8.932
   99   1HD1  LEU  16          3HD1      LEU  16 113.649   6.230   6.230
  100   2HD1  LEU  16          2HD1      LEU  16 115.352   6.475   6.475
  101   3HD1  LEU  16          1HD1      LEU  16 114.545   7.541   7.541
  102   1HD2  LEU  16          3HD2      LEU  16 114.756   6.633   6.633
  103   2HD2  LEU  16          2HD2      LEU  16 114.686   8.342   8.342
  104   3HD2  LEU  16          1HD2      LEU  16 115.959   7.754   7.754
  105    H    ALA  17           H        ALA  17 113.384   9.581   9.581
  106    HA   ALA  17           HA       ALA  17 112.813   7.848   7.848
  107   1HB   ALA  17          2HB       ALA  17 114.822   9.746   9.746
  108   2HB   ALA  17          1HB       ALA  17 114.455   9.985   9.985
  109   3HB   ALA  17          3HB       ALA  17 115.001   8.409   8.409
  110    H    THR  18           H        THR  18 112.503  11.346  11.346
  111    HA   THR  18           HA       THR  18 111.259  12.084  12.084
  112    HB   THR  18           HB       THR  18 110.313  13.810  13.810
  113    HG1  THR  18           HG1      THR  18 112.172  14.023  14.023
  114   1HG2  THR  18          3HG2      THR  18 112.951  13.772  13.772
  115   2HG2  THR  18          2HG2      THR  18 112.313  15.180  15.180
  116   3HG2  THR  18          1HG2      THR  18 111.448  14.519  14.519
  117    H    ALA  19           H        ALA  19 109.905  11.051  11.051
  118    HA   ALA  19           HA       ALA  19 107.150  11.455  11.455
  119   1HB   ALA  19          2HB       ALA  19 108.811   9.539   9.539
  120   2HB   ALA  19          1HB       ALA  19 107.060   9.332   9.332
  121   3HB   ALA  19          3HB       ALA  19 107.752  10.834  10.834
  122    H    ALA  20           H        ALA  20 109.091   8.487   8.487
  123    HA   ALA  20           HA       ALA  20 107.063   6.946   6.946
  124   1HB   ALA  20          3HB       ALA  20 110.056   7.056   7.056
  125   2HB   ALA  20          2HB       ALA  20 109.286   6.005   6.005
  126   3HB   ALA  20          1HB       ALA  20 108.981   5.766   5.766
  127    H    ALA  21           H        ALA  21 109.208   9.451   9.451
  128    HA   ALA  21           HA       ALA  21 108.896   9.006   9.006
  129   1HB   ALA  21          3HB       ALA  21 110.193  10.763  10.763
  130   2HB   ALA  21          2HB       ALA  21 108.976  11.807  11.807
  131   3HB   ALA  21          1HB       ALA  21 110.116  10.931  10.931
  132    H    ARG  22           H        ARG  22 106.817  10.728  10.728
  133    HA   ARG  22           HA       ARG  22 104.967  11.535  11.535
  134   1HB   ARG  22          2HB       ARG  22 105.119  12.034  12.034
  135   2HB   ARG  22          1HB       ARG  22 103.857  12.701  12.701
  136   1HG   ARG  22          2HG       ARG  22 105.829  13.578  13.578
  137   2HG   ARG  22          1HG       ARG  22 106.811  13.289  13.289
  138   1HD   ARG  22          2HD       ARG  22 105.786  14.980  14.980
  139   2HD   ARG  22          1HD       ARG  22 104.245  14.800  14.800
  140    HE   ARG  22           HE       ARG  22 105.799  15.640  15.640
  141   1HH1  ARG  22          1HH2      ARG  22 104.124  17.714  17.714
  142   2HH1  ARG  22          2HH2      ARG  22 105.278  18.877  18.877
  143   1HH2  ARG  22          2HH1      ARG  22 107.966  16.691  16.691
  144   2HH2  ARG  22          1HH1      ARG  22 107.456  18.297  18.297
  145    H    GLY  23           H        GLY  23 105.377   8.656   8.656
  146   1HA   GLY  23          2HA       GLY  23 104.049   6.787   6.787
  147   2HA   GLY  23          1HA       GLY  23 102.745   7.724   7.724
  148    H    ARG  24           H        ARG  24 104.575   8.398   8.398
  149    HA   ARG  24           HA       ARG  24 101.967   8.473   8.473
  150   1HB   ARG  24          2HB       ARG  24 104.034  10.282  10.282
  151   2HB   ARG  24          1HB       ARG  24 104.419   9.493   9.493
  152   1HG   ARG  24          2HG       ARG  24 102.986  11.228  11.228
  153   2HG   ARG  24          1HG       ARG  24 101.891   9.851   9.851
  154   1HD   ARG  24          2HD       ARG  24 102.050  11.029  11.029
  155   2HD   ARG  24          1HD       ARG  24 101.758  12.334  12.334
  156    HE   ARG  24           HE       ARG  24 100.007  10.511  10.511
  157   1HH1  ARG  24          1HH2      ARG  24  99.897  12.601  12.601
  158   2HH1  ARG  24          2HH2      ARG  24  98.723  11.739  11.739
  159   1HH2  ARG  24          2HH1      ARG  24  98.878   8.875   8.875
  160   2HH2  ARG  24          1HH1      ARG  24  98.146   9.631   9.631
  161    H    VAL  25           H        VAL  25 102.359   5.956   5.956
  162    HA   VAL  25           HA       VAL  25 104.347   4.567   4.567
  163    HB   VAL  25           HB       VAL  25 101.362   4.036   4.036
  164   1HG1  VAL  25          1HG1      VAL  25 103.707   2.335   2.335
  165   2HG1  VAL  25          3HG1      VAL  25 102.295   1.600   1.600
  166   3HG1  VAL  25          2HG1      VAL  25 102.121   2.479   2.479
  167   1HG2  VAL  25          1HG2      VAL  25 103.616   3.911   3.911
  168   2HG2  VAL  25          3HG2      VAL  25 101.882   3.953   3.953
  169   3HG2  VAL  25          2HG2      VAL  25 102.668   2.424   2.424
  170    H    GLU  26           H        GLU  26 101.594   6.376   6.376
  171    HA   GLU  26           HA       GLU  26 101.749   5.326   5.326
  172   1HB   GLU  26          2HB       GLU  26 100.587   7.872   7.872
  173   2HB   GLU  26          1HB       GLU  26 100.245   7.261   7.261
  174   1HG   GLU  26          2HG       GLU  26  99.179   5.299   5.299
  175   2HG   GLU  26          1HG       GLU  26  99.757   5.629   5.629
  176    H    GLU  27           H        GLU  27 103.092   8.211   8.211
  177    HA   GLU  27           HA       GLU  27 104.166   9.450   9.450
  178   1HB   GLU  27          2HB       GLU  27 103.814  10.116  10.116
  179   2HB   GLU  27          1HB       GLU  27 105.542   9.764   9.764
  180   1HG   GLU  27          2HG       GLU  27 105.585  11.999  11.999
  181   2HG   GLU  27          1HG       GLU  27 105.521  11.238  11.238
  182    H    VAL  28           H        VAL  28 105.399   6.973   6.973
  183    HA   VAL  28           HA       VAL  28 108.096   7.036   7.036
  184    HB   VAL  28           HB       VAL  28 106.837   4.941   4.941
  185   1HG1  VAL  28          3HG1      VAL  28 109.394   5.234   5.234
  186   2HG1  VAL  28          2HG1      VAL  28 109.576   5.754   5.754
  187   3HG1  VAL  28          1HG1      VAL  28 108.945   4.147   4.147
  188   1HG2  VAL  28          2HG2      VAL  28 108.060   7.622   7.622
  189   2HG2  VAL  28          1HG2      VAL  28 106.387   7.135   7.135
  190   3HG2  VAL  28          3HG2      VAL  28 107.680   6.347   6.347
  191    H    ARG  29           H        ARG  29 105.308   4.778   4.778
  192    HA   ARG  29           HA       ARG  29 106.323   2.698   2.698
  193   1HB   ARG  29          2HB       ARG  29 103.794   3.742   3.742
  194   2HB   ARG  29          1HB       ARG  29 103.669   3.362   3.362
  195   1HG   ARG  29          2HG       ARG  29 103.307   1.230   1.230
  196   2HG   ARG  29          1HG       ARG  29 105.041   1.178   1.178
  197   1HD   ARG  29          2HD       ARG  29 104.767   1.434   1.434
  198   2HD   ARG  29          1HD       ARG  29 103.226   2.295   2.295
  199    HE   ARG  29           HE       ARG  29 103.579  -0.651  -0.651
  200   1HH1  ARG  29          1HH2      ARG  29 101.470   1.929   1.929
  201   2HH1  ARG  29          2HH2      ARG  29 100.077   1.161   1.161
  202   1HH2  ARG  29          2HH1      ARG  29 101.845  -1.551  -1.551
  203   2HH2  ARG  29          1HH1      ARG  29 100.289  -0.805  -0.805
  204    H    ALA  30           H        ALA  30 104.831   5.734   5.734
  205    HA   ALA  30           HA       ALA  30 105.344   5.146   5.146
  206   1HB   ALA  30          1HB       ALA  30 103.591   6.684   6.684
  207   2HB   ALA  30          3HB       ALA  30 104.900   7.860   7.860
  208   3HB   ALA  30          2HB       ALA  30 104.375   7.289   7.289
  209    H    LEU  31           H        LEU  31 106.996   6.982   6.982
  210    HA   LEU  31           HA       LEU  31 108.956   8.327   8.327
  211   1HB   LEU  31          2HB       LEU  31 108.478   7.516   7.516
  212   2HB   LEU  31          1HB       LEU  31 110.190   7.647   7.647
  213    HG   LEU  31           HG       LEU  31 108.191   9.811   9.811
  214   1HD1  LEU  31          2HD1      LEU  31 108.450   9.242   9.242
  215   2HD1  LEU  31          1HD1      LEU  31 110.082   9.889   9.889
  216   3HD1  LEU  31          3HD1      LEU  31 108.688  10.919  10.919
  217   1HD2  LEU  31          1HD2      LEU  31 110.676   9.429   9.429
  218   2HD2  LEU  31          3HD2      LEU  31 110.020  11.038  11.038
  219   3HD2  LEU  31          2HD2      LEU  31 111.088  10.287  10.287
  220    H    LEU  32           H        LEU  32 109.500   5.378   5.378
  221    HA   LEU  32           HA       LEU  32 111.962   4.581   4.581
  222   1HB   LEU  32          2HB       LEU  32 109.585   3.213   3.213
  223   2HB   LEU  32          1HB       LEU  32 110.929   2.237   2.237
  224    HG   LEU  32           HG       LEU  32 111.677   4.589   4.589
  225   1HD1  LEU  32          2HD1      LEU  32 109.572   3.380   3.380
  226   2HD1  LEU  32          1HD1      LEU  32 110.747   2.130   2.130
  227   3HD1  LEU  32          3HD1      LEU  32 110.949   3.769   3.769
  228   1HD2  LEU  32          3HD2      LEU  32 112.920   2.325   2.325
  229   2HD2  LEU  32          2HD2      LEU  32 113.542   3.349   3.349
  230   3HD2  LEU  32          1HD2      LEU  32 112.614   1.902   1.902
  231    H    GLU  33           H        GLU  33 108.695   4.048   4.048
  232    HA   GLU  33           HA       GLU  33 109.489   2.230   2.230
  233   1HB   GLU  33          2HB       GLU  33 107.124   3.546   3.546
  234   2HB   GLU  33          1HB       GLU  33 107.143   3.632   3.632
  235   1HG   GLU  33          2HG       GLU  33 107.706   1.052   1.052
  236   2HG   GLU  33          1HG       GLU  33 106.065   1.544   1.544
  237    H    ALA  34           H        ALA  34 109.641   5.680   5.680
  238    HA   ALA  34           HA       ALA  34 109.846   6.209   6.209
  239   1HB   ALA  34          1HB       ALA  34 109.952   7.880   7.880
  240   2HB   ALA  34          3HB       ALA  34 110.148   8.568   8.568
  241   3HB   ALA  34          2HB       ALA  34 108.632   7.783   7.783
  242    H    GLY  35           H        GLY  35 111.923   5.263   5.263
  243   1HA   GLY  35          2HA       GLY  35 114.242   4.700   4.700
  244   2HA   GLY  35          1HA       GLY  35 114.274   6.275   6.275
  245    H    ALA  36           H        ALA  36 112.827   5.880   5.880
  246    HA   ALA  36           HA       ALA  36 114.321   7.978   7.978
  247   1HB   ALA  36          2HB       ALA  36 112.159   6.593   6.593
  248   2HB   ALA  36          1HB       ALA  36 113.318   5.633   5.633
  249   3HB   ALA  36          3HB       ALA  36 113.143   7.356   7.356
  250    H    LEU  37           H        LEU  37 116.144   7.893   7.893
  251    HA   LEU  37           HA       LEU  37 118.172   5.934   5.934
  252   1HB   LEU  37          2HB       LEU  37 117.868   8.445   8.445
  253   2HB   LEU  37          1HB       LEU  37 118.939   7.342   7.342
  254    HG   LEU  37           HG       LEU  37 120.284   7.038   7.038
  255   1HD1  LEU  37          1HD1      LEU  37 118.015   7.902   7.902
  256   2HD1  LEU  37          3HD1      LEU  37 119.084   9.299   9.299
  257   3HD1  LEU  37          2HD1      LEU  37 119.612   7.730   7.730
  258   1HD2  LEU  37          3HD2      LEU  37 120.436   9.101   9.101
  259   2HD2  LEU  37          2HD2      LEU  37 121.456   9.025   9.025
  260   3HD2  LEU  37          1HD2      LEU  37 119.993  10.010  10.010
  261    HA   PRO  38           HA       PRO  38 116.945   2.940   2.940
  262   1HB   PRO  38          2HB       PRO  38 119.223   1.420   1.420
  263   2HB   PRO  38          1HB       PRO  38 118.003   1.346   1.346
  264   1HG   PRO  38          2HG       PRO  38 120.604   2.797   2.797
  265   2HG   PRO  38          1HG       PRO  38 119.847   1.892   1.892
  266   1HD   PRO  38          2HD       PRO  38 119.800   4.600   4.600
  267   2HD   PRO  38          1HD       PRO  38 118.499   3.649   3.649
  268    H    ASN  39           H        ASN  39 120.017   4.667   4.667
  269    HA   ASN  39           HA       ASN  39 119.799   4.732   4.732
  270   1HB   ASN  39          2HB       ASN  39 121.851   3.518   3.518
  271   2HB   ASN  39          1HB       ASN  39 122.505   4.561   4.561
  272   1HD2  ASN  39          1HD2      ASN  39 120.095   1.902   1.902
  273   2HD2  ASN  39          2HD2      ASN  39 120.400   1.208   1.208
  274    H    ALA  40           H        ALA  40 118.930   6.906   6.906
  275    HA   ALA  40           HA       ALA  40 120.931   8.783   8.783
  276   1HB   ALA  40          2HB       ALA  40 118.399   8.708   8.708
  277   2HB   ALA  40          1HB       ALA  40 118.223   9.390   9.390
  278   3HB   ALA  40          3HB       ALA  40 119.076  10.294  10.294
  279    HA   PRO  41           HA       PRO  41 122.423  10.314  10.314
  280   1HB   PRO  41          2HB       PRO  41 122.847  12.953  12.953
  281   2HB   PRO  41          1HB       PRO  41 123.877  11.648  11.648
  282   1HG   PRO  41          2HG       PRO  41 121.712  13.159  13.159
  283   2HG   PRO  41          1HG       PRO  41 123.244  12.550  12.550
  284   1HD   PRO  41          2HD       PRO  41 120.819  11.339  11.339
  285   2HD   PRO  41          1HD       PRO  41 122.380  10.491  10.491
  286    H    ASN  42           H        ASN  42 121.213  10.698  10.698
  287    HA   ASN  42           HA       ASN  42 118.828  12.497  12.497
  288   1HB   ASN  42          2HB       ASN  42 118.061  11.192  11.192
  289   2HB   ASN  42          1HB       ASN  42 118.393  10.160  10.160
  290   1HD2  ASN  42          1HD2      ASN  42 119.707   8.383   8.383
  291   2HD2  ASN  42          2HD2      ASN  42 120.790   8.278   8.278
  292    H    SER  43           H        SER  43 118.417  13.931  13.931
  293    HA   SER  43           HA       SER  43 120.941  14.974  14.974
  294   1HB   SER  43          2HB       SER  43 118.131  15.956  15.956
  295   2HB   SER  43          1HB       SER  43 119.179  16.788  16.788
  296    HG   SER  43           HG       SER  43 119.766  16.230  16.230
  297    H    TYR  44           H        TYR  44 119.558  12.464  12.464
  298    HA   TYR  44           HA       TYR  44 119.300  13.326  13.326
  299   1HB   TYR  44          2HB       TYR  44 117.591  11.137  11.137
  300   2HB   TYR  44          1HB       TYR  44 117.281  12.159  12.159
  301    HD1  TYR  44           HD1      TYR  44 117.177  14.787  14.787
  302    HD2  TYR  44           HD2      TYR  44 116.371  11.566  11.566
  303    HE1  TYR  44           HE1      TYR  44 115.842  16.322  16.322
  304    HE2  TYR  44           HE2      TYR  44 115.037  13.099  13.099
  305    HH   TYR  44           HH       TYR  44 115.114  16.470  16.470
  306    H    GLY  45           H        GLY  45 121.214  11.703  11.703
  307   1HA   GLY  45          2HA       GLY  45 122.619   9.840   9.840
  308   2HA   GLY  45          1HA       GLY  45 122.437  10.053  10.053
  309    H    ARG  46           H        ARG  46 119.651   9.493   9.493
  310    HA   ARG  46           HA       ARG  46 119.499   6.670   6.670
  311   1HB   ARG  46          2HB       ARG  46 118.060   8.830   8.830
  312   2HB   ARG  46          1HB       ARG  46 116.978   8.167   8.167
  313   1HG   ARG  46          2HG       ARG  46 116.327   6.728   6.728
  314   2HG   ARG  46          1HG       ARG  46 117.840   5.891   5.891
  315   1HD   ARG  46          2HD       ARG  46 117.672   6.334   6.334
  316   2HD   ARG  46          1HD       ARG  46 118.970   7.329   7.329
  317    HE   ARG  46           HE       ARG  46 116.634   8.863   8.863
  318   1HH1  ARG  46          2HH1      ARG  46 119.105   8.115   8.115
  319   2HH1  ARG  46          1HH1      ARG  46 118.399   8.963   8.963
  320   1HH2  ARG  46          1HH2      ARG  46 115.433   9.653   9.653
  321   2HH2  ARG  46          2HH2      ARG  46 116.322   9.835   9.835
  322    H    ARG  47           H        ARG  47 119.751   5.544   5.544
  323    HA   ARG  47           HA       ARG  47 119.112   6.336   6.336
  324   1HB   ARG  47          2HB       ARG  47 119.872   3.978   3.978
  325   2HB   ARG  47          1HB       ARG  47 118.739   3.546   3.546
  326   1HG   ARG  47          2HG       ARG  47 120.945   3.440   3.440
  327   2HG   ARG  47          1HG       ARG  47 120.178   4.895   4.895
  328   1HD   ARG  47          2HD       ARG  47 121.362   6.287   6.287
  329   2HD   ARG  47          1HD       ARG  47 122.057   4.846   4.846
  330    HE   ARG  47           HE       ARG  47 122.570   5.468   5.468
  331   1HH1  ARG  47          1HH2      ARG  47 124.389   6.590   6.590
  332   2HH1  ARG  47          2HH2      ARG  47 125.664   5.418   5.418
  333   1HH2  ARG  47          2HH1      ARG  47 123.857   3.069   3.069
  334   2HH2  ARG  47          1HH1      ARG  47 125.362   3.425   3.425
  335    HA   PRO  48           HA       PRO  48 114.782   5.736   5.736
  336   1HB   PRO  48          2HB       PRO  48 114.428   3.602   3.602
  337   2HB   PRO  48          1HB       PRO  48 115.002   5.195   5.195
  338   1HG   PRO  48          2HG       PRO  48 116.574   2.735   2.735
  339   2HG   PRO  48          1HG       PRO  48 116.750   3.863   3.863
  340   1HD   PRO  48          2HD       PRO  48 118.377   3.966   3.966
  341   2HD   PRO  48          1HD       PRO  48 117.855   5.445   5.445
  342    H    ILE  49           H        ILE  49 112.888   4.323   4.323
  343    HA   ILE  49           HA       ILE  49 111.779   2.741   2.741
  344    HB   ILE  49           HB       ILE  49 114.436   1.270   1.270
  345   1HG1  ILE  49          2HG1      ILE  49 112.102   1.422   1.422
  346   2HG1  ILE  49          1HG1      ILE  49 113.815   1.629   1.629
  347   1HG2  ILE  49          2HG2      ILE  49 112.417   0.687   0.687
  348   2HG2  ILE  49          1HG2      ILE  49 111.739  -0.022  -0.022
  349   3HG2  ILE  49          3HG2      ILE  49 113.289  -0.589  -0.589
  350   1HD1  ILE  49          3HD1      ILE  49 114.158  -0.786  -0.786
  351   2HD1  ILE  49          2HD1      ILE  49 112.404  -0.945  -0.945
  352   3HD1  ILE  49          1HD1      ILE  49 113.160  -0.559  -0.559
  353    H    GLN  50           H        GLN  50 115.199   2.871   2.871
  354    HA   GLN  50           HA       GLN  50 114.733   2.731   2.731
  355   1HB   GLN  50          2HB       GLN  50 116.873   2.888   2.888
  356   2HB   GLN  50          1HB       GLN  50 116.804   4.586   4.586
  357   1HG   GLN  50          2HG       GLN  50 117.127   4.092   4.092
  358   2HG   GLN  50          1HG       GLN  50 116.643   2.407   2.407
  359   1HE2  GLN  50          1HE2      GLN  50 119.010   4.384   4.384
  360   2HE2  GLN  50          2HE2      GLN  50 120.320   3.338   3.338
  361    H    VAL  51           H        VAL  51 114.073   5.325   5.325
  362    HA   VAL  51           HA       VAL  51 113.493   7.178   7.178
  363    HB   VAL  51           HB       VAL  51 115.240   7.888   7.888
  364   1HG1  VAL  51          1HG1      VAL  51 112.985   7.583   7.583
  365   2HG1  VAL  51          3HG1      VAL  51 114.494   8.428   8.428
  366   3HG1  VAL  51          2HG1      VAL  51 114.510   6.701   6.701
  367   1HG2  VAL  51          2HG2      VAL  51 113.274   9.411   9.411
  368   2HG2  VAL  51          1HG2      VAL  51 114.505  10.071  10.071
  369   3HG2  VAL  51          3HG2      VAL  51 112.922   9.625   9.625
  370    H    MET  52           H        MET  52 112.005   5.206   5.206
  371    HA   MET  52           HA       MET  52 109.822   6.777   6.777
  372   1HB   MET  52          2HB       MET  52 108.804   4.658   4.658
  373   2HB   MET  52          1HB       MET  52 110.540   4.444   4.444
  374   1HG   MET  52          2HG       MET  52 110.648   2.917   2.917
  375   2HG   MET  52          1HG       MET  52 109.587   3.849   3.849
  376   1HE   MET  52          2HE       MET  52 110.169   0.778   0.778
  377   2HE   MET  52          1HE       MET  52 109.096   0.705   0.705
  378   3HE   MET  52          3HE       MET  52 108.620  -0.049  -0.049
  379    H    MET  53           H        MET  53 107.515   6.590   6.590
  380    HA   MET  53           HA       MET  53 107.214   7.531   7.531
  381   1HB   MET  53          2HB       MET  53 105.655   7.247   7.247
  382   2HB   MET  53          1HB       MET  53 105.032   5.909   5.909
  383   1HG   MET  53          2HG       MET  53 105.394   8.325   8.325
  384   2HG   MET  53          1HG       MET  53 104.298   8.592   8.592
  385   1HE   MET  53          2HE       MET  53 103.174   6.488   6.488
  386   2HE   MET  53          1HE       MET  53 102.545   5.182   5.182
  387   3HE   MET  53          3HE       MET  53 101.614   6.672   6.672
  388    H    MET  54           H        MET  54 107.744   4.292   4.292
  389    HA   MET  54           HA       MET  54 107.927   2.260   2.260
  390   1HB   MET  54          2HB       MET  54 108.564   4.415   4.415
  391   2HB   MET  54          1HB       MET  54 107.711   3.161   3.161
  392   1HG   MET  54          2HG       MET  54 110.011   2.545   2.545
  393   2HG   MET  54          1HG       MET  54 109.291   1.488   1.488
  394   1HE   MET  54          3HE       MET  54 110.381   0.819   0.819
  395   2HE   MET  54          2HE       MET  54 111.161   1.661   1.661
  396   3HE   MET  54          1HE       MET  54 112.098   1.230   1.230
  397    H    GLY  55           H        GLY  55 105.219   3.937   3.937
  398   1HA   GLY  55          2HA       GLY  55 103.618   2.153   2.153
  399   2HA   GLY  55          1HA       GLY  55 103.072   3.746   3.746
  400    H    SER  56           H        SER  56 104.815   1.903   1.903
  401    HA   SER  56           HA       SER  56 102.428   0.659   0.659
  402   1HB   SER  56          2HB       SER  56 103.606   3.246   3.246
  403   2HB   SER  56          1HB       SER  56 103.460   2.129   2.129
  404    HG   SER  56           HG       SER  56 101.578   3.513   3.513
  405    H    ALA  57           H        ALA  57 103.598  -1.331  -1.331
  406    HA   ALA  57           HA       ALA  57 106.325  -1.734  -1.734
  407   1HB   ALA  57          3HB       ALA  57 103.819  -3.415  -3.415
  408   2HB   ALA  57          2HB       ALA  57 105.347  -4.105  -4.105
  409   3HB   ALA  57          1HB       ALA  57 105.201  -3.470  -3.470
  410    H    ARG  58           H        ARG  58 103.505  -1.131  -1.131
  411    HA   ARG  58           HA       ARG  58 104.199  -2.319  -2.319
  412   1HB   ARG  58          2HB       ARG  58 102.873   0.359   0.359
  413   2HB   ARG  58          1HB       ARG  58 102.697  -0.603  -0.603
  414   1HG   ARG  58          2HG       ARG  58 101.903  -2.492  -2.492
  415   2HG   ARG  58          1HG       ARG  58 101.652  -1.181  -1.181
  416   1HD   ARG  58          2HD       ARG  58 100.385  -0.050  -0.050
  417   2HD   ARG  58          1HD       ARG  58 100.196  -1.741  -1.741
  418    HE   ARG  58           HE       ARG  58  99.391  -0.781  -0.781
  419   1HH1  ARG  58          2HH1      ARG  58  97.652  -1.195  -1.195
  420   2HH1  ARG  58          1HH1      ARG  58  96.807  -2.633  -2.633
  421   1HH2  ARG  58          1HH2      ARG  58  98.872  -3.285  -3.285
  422   2HH2  ARG  58          2HH2      ARG  58  97.498  -3.817  -3.817
  423    H    VAL  59           H        VAL  59 105.405   0.585   0.585
  424    HA   VAL  59           HA       VAL  59 106.751   1.779   1.779
  425    HB   VAL  59           HB       VAL  59 107.461   1.800   1.800
  426   1HG1  VAL  59          2HG1      VAL  59 108.275   3.396   3.396
  427   2HG1  VAL  59          1HG1      VAL  59 108.060   4.260   4.260
  428   3HG1  VAL  59          3HG1      VAL  59 109.218   2.934   2.934
  429   1HG2  VAL  59          3HG2      VAL  59 105.077   2.651   2.651
  430   2HG2  VAL  59          2HG2      VAL  59 105.571   2.971   2.971
  431   3HG2  VAL  59          1HG2      VAL  59 105.989   4.111   4.111
  432    H    ALA  60           H        ALA  60 107.835  -0.508  -0.508
  433    HA   ALA  60           HA       ALA  60 110.547  -0.763  -0.763
  434   1HB   ALA  60          3HB       ALA  60 108.922  -1.728  -1.728
  435   2HB   ALA  60          2HB       ALA  60 109.173  -3.180  -3.180
  436   3HB   ALA  60          1HB       ALA  60 110.558  -2.313  -2.313
  437    H    GLU  61           H        GLU  61 107.855  -3.049  -3.049
  438    HA   GLU  61           HA       GLU  61 109.087  -4.752  -4.752
  439   1HB   GLU  61          2HB       GLU  61 106.569  -4.298  -4.298
  440   2HB   GLU  61          1HB       GLU  61 106.380  -3.769  -3.769
  441   1HG   GLU  61          2HG       GLU  61 106.730  -5.877  -5.877
  442   2HG   GLU  61          1HG       GLU  61 107.822  -6.339  -6.339
  443    H    LEU  62           H        LEU  62 108.076  -1.415  -1.415
  444    HA   LEU  62           HA       LEU  62 108.471  -1.528  -1.528
  445   1HB   LEU  62          2HB       LEU  62 106.797  -0.054  -0.054
  446   2HB   LEU  62          1HB       LEU  62 107.567   0.356   0.356
  447    HG   LEU  62           HG       LEU  62 109.255   1.666   1.666
  448   1HD1  LEU  62          1HD1      LEU  62 107.901   0.403   0.403
  449   2HD1  LEU  62          3HD1      LEU  62 108.249   2.121   2.121
  450   3HD1  LEU  62          2HD1      LEU  62 109.558   0.991   0.991
  451   1HD2  LEU  62          1HD2      LEU  62 107.184   2.744   2.744
  452   2HD2  LEU  62          3HD2      LEU  62 107.766   3.502   3.502
  453   3HD2  LEU  62          2HD2      LEU  62 106.406   2.387   2.387
  454    H    LEU  63           H        LEU  63 110.033   0.301   0.301
  455    HA   LEU  63           HA       LEU  63 112.279   1.147   1.147
  456   1HB   LEU  63          2HB       LEU  63 111.400   1.120   1.120
  457   2HB   LEU  63          1HB       LEU  63 113.137   1.264   1.264
  458    HG   LEU  63           HG       LEU  63 111.079   3.014   3.014
  459   1HD1  LEU  63          3HD1      LEU  63 112.418   3.189   3.189
  460   2HD1  LEU  63          2HD1      LEU  63 112.400   4.669   4.669
  461   3HD1  LEU  63          1HD1      LEU  63 110.883   3.876   3.876
  462   1HD2  LEU  63          1HD2      LEU  63 113.936   2.577   2.577
  463   2HD2  LEU  63          3HD2      LEU  63 112.853   3.569   3.569
  464   3HD2  LEU  63          2HD2      LEU  63 113.609   4.247   4.247
  465    H    LEU  64           H        LEU  64 111.659  -1.610  -1.610
  466    HA   LEU  64           HA       LEU  64 114.297  -2.663  -2.663
  467   1HB   LEU  64          2HB       LEU  64 112.371  -3.321  -3.321
  468   2HB   LEU  64          1HB       LEU  64 111.565  -3.993  -3.993
  469    HG   LEU  64           HG       LEU  64 112.828  -5.614  -5.614
  470   1HD1  LEU  64          3HD1      LEU  64 112.072  -5.799  -5.799
  471   2HD1  LEU  64          2HD1      LEU  64 113.813  -5.997  -5.997
  472   3HD1  LEU  64          1HD1      LEU  64 112.913  -7.101  -7.101
  473   1HD2  LEU  64          1HD2      LEU  64 114.899  -4.171  -4.171
  474   2HD2  LEU  64          3HD2      LEU  64 115.200  -5.854  -5.854
  475   3HD2  LEU  64          2HD2      LEU  64 115.168  -4.618  -4.618
  476    H    LEU  65           H        LEU  65 111.680  -3.989  -3.989
  477    HA   LEU  65           HA       LEU  65 113.330  -5.606  -5.606
  478   1HB   LEU  65          2HB       LEU  65 111.412  -5.819  -5.819
  479   2HB   LEU  65          1HB       LEU  65 110.752  -5.396  -5.396
  480    HG   LEU  65           HG       LEU  65 110.931  -2.930  -2.930
  481   1HD1  LEU  65          3HD1      LEU  65 111.578  -4.548  -4.548
  482   2HD1  LEU  65          2HD1      LEU  65 110.293  -3.370  -3.370
  483   3HD1  LEU  65          1HD1      LEU  65 111.871  -2.836  -2.836
  484   1HD2  LEU  65          1HD2      LEU  65 108.893  -4.758  -4.758
  485   2HD2  LEU  65          3HD2      LEU  65 108.673  -3.070  -3.070
  486   3HD2  LEU  65          2HD2      LEU  65 108.818  -4.313  -4.313
  487    H    HIS  66           H        HIS  66 112.870  -2.149  -2.149
  488    HA   HIS  66           HA       HIS  66 113.947  -1.753  -1.753
  489   1HB   HIS  66          2HB       HIS  66 112.814  -0.264  -0.264
  490   2HB   HIS  66          1HB       HIS  66 113.979   0.616   0.616
  491    HD1  HIS  66           HD1      HIS  66 110.536  -0.695  -0.695
  492    HD2  HIS  66           HD2      HIS  66 113.251   0.819   0.819
  493    HE1  HIS  66           HE1      HIS  66 109.218  -0.229  -0.229
  494    H    GLY  67           H        GLY  67 115.113  -1.110  -1.110
  495   1HA   GLY  67          2HA       GLY  67 117.617  -2.027  -2.027
  496   2HA   GLY  67          1HA       GLY  67 117.801  -0.653  -0.653
  497    H    ALA  68           H        ALA  68 115.847  -0.944  -0.944
  498    HA   ALA  68           HA       ALA  68 116.808   1.663   1.663
  499   1HB   ALA  68          3HB       ALA  68 114.702  -0.156  -0.156
  500   2HB   ALA  68          2HB       ALA  68 115.590   0.020   0.020
  501   3HB   ALA  68          1HB       ALA  68 114.931   1.443   1.443
  502    H    GLU  69           H        GLU  69 117.142   0.972   0.972
  503    HA   GLU  69           HA       GLU  69 119.746  -0.514  -0.514
  504   1HB   GLU  69          2HB       GLU  69 119.682   2.059   2.059
  505   2HB   GLU  69          1HB       GLU  69 119.066   1.722   1.722
  506   1HG   GLU  69          2HG       GLU  69 121.525   1.992   1.992
  507   2HG   GLU  69          1HG       GLU  69 121.055   0.360   0.360
  508    HA   PRO  70           HA       PRO  70 116.828  -2.413  -2.413
  509   1HB   PRO  70          2HB       PRO  70 116.946  -4.960  -4.960
  510   2HB   PRO  70          1HB       PRO  70 115.776  -3.762  -3.762
  511   1HG   PRO  70          2HG       PRO  70 118.348  -4.640  -4.640
  512   2HG   PRO  70          1HG       PRO  70 116.802  -4.276  -4.276
  513   1HD   PRO  70          2HD       PRO  70 118.905  -2.549  -2.549
  514   2HD   PRO  70          1HD       PRO  70 117.209  -2.022  -2.022
  515    H    ASN  71           H        ASN  71 120.053  -2.769  -2.769
  516    HA   ASN  71           HA       ASN  71 120.730  -4.493  -4.493
  517   1HB   ASN  71          2HB       ASN  71 121.102  -5.119  -5.119
  518   2HB   ASN  71          1HB       ASN  71 122.539  -4.119  -4.119
  519   1HD2  ASN  71          1HD2      ASN  71 124.279  -4.955  -4.955
  520   2HD2  ASN  71          2HD2      ASN  71 124.254  -6.506  -6.506
  521    H    CYS  72           H        CYS  72 122.620  -2.281  -2.281
  522    HA   CYS  72           HA       CYS  72 124.453  -1.404  -1.404
  523   1HB   CYS  72          2HB       CYS  72 123.804  -0.867  -0.867
  524   2HB   CYS  72          1HB       CYS  72 123.473   0.680   0.680
  525    HG   CYS  72           HG       CYS  72 126.238  -0.687  -0.687
  526    H    ALA  73           H        ALA  73 124.562   0.460   0.460
  527    HA   ALA  73           HA       ALA  73 121.973   1.832   1.832
  528   1HB   ALA  73          2HB       ALA  73 122.672  -0.238  -0.238
  529   2HB   ALA  73          1HB       ALA  73 123.839   0.876   0.876
  530   3HB   ALA  73          3HB       ALA  73 122.111   1.220   1.220
  531    H    ASP  74           H        ASP  74 123.629   2.911   2.911
  532    HA   ASP  74           HA       ASP  74 125.251   4.875   4.875
  533   1HB   ASP  74          2HB       ASP  74 122.948   5.422   5.422
  534   2HB   ASP  74          1HB       ASP  74 123.989   5.537   5.537
  535    HA   PRO  75           HA       PRO  75 128.507   3.379   3.379
  536   1HB   PRO  75          2HB       PRO  75 130.407   5.221   5.221
  537   2HB   PRO  75          1HB       PRO  75 129.972   3.841   3.841
  538   1HG   PRO  75          2HG       PRO  75 129.130   6.689   6.689
  539   2HG   PRO  75          1HG       PRO  75 129.542   5.541   5.541
  540   1HD   PRO  75          2HD       PRO  75 126.981   6.194   6.194
  541   2HD   PRO  75          1HD       PRO  75 127.444   4.623   4.623
  542    H    ALA  76           H        ALA  76 126.881   6.365   6.365
  543    HA   ALA  76           HA       ALA  76 128.490   7.486   7.486
  544   1HB   ALA  76          1HB       ALA  76 126.974   8.576   8.576
  545   2HB   ALA  76          3HB       ALA  76 125.701   8.340   8.340
  546   3HB   ALA  76          2HB       ALA  76 127.106   9.332   9.332
  547    H    THR  77           H        THR  77 125.113   6.297   6.297
  548    HA   THR  77           HA       THR  77 125.225   5.613   5.613
  549    HB   THR  77           HB       THR  77 122.756   6.018   6.018
  550    HG1  THR  77           HG1      THR  77 122.096   7.146   7.146
  551   1HG2  THR  77          2HG2      THR  77 124.377   7.815   7.815
  552   2HG2  THR  77          1HG2      THR  77 124.421   8.302   8.302
  553   3HG2  THR  77          3HG2      THR  77 122.923   8.444   8.444
  554    H    LEU  78           H        LEU  78 125.510   4.152   4.152
  555    HA   LEU  78           HA       LEU  78 125.044   1.991   1.991
  556   1HB   LEU  78          2HB       LEU  78 125.738   1.969   1.969
  557   2HB   LEU  78          1HB       LEU  78 124.587   0.670   0.670
  558    HG   LEU  78           HG       LEU  78 127.249   1.132   1.132
  559   1HD1  LEU  78          3HD1      LEU  78 126.064  -1.083  -1.083
  560   2HD1  LEU  78          2HD1      LEU  78 127.573  -1.250  -1.250
  561   3HD1  LEU  78          1HD1      LEU  78 127.442  -0.056  -0.056
  562   1HD2  LEU  78          3HD2      LEU  78 124.855  -0.472  -0.472
  563   2HD2  LEU  78          2HD2      LEU  78 126.012   0.407   0.407
  564   3HD2  LEU  78          1HD2      LEU  78 126.460  -1.144  -1.144
  565    H    THR  79           H        THR  79 122.677   3.789   3.789
  566    HA   THR  79           HA       THR  79 120.523   2.201   2.201
  567    HB   THR  79           HB       THR  79 120.327   4.399   4.399
  568    HG1  THR  79           HG1      THR  79 121.159   5.703   5.703
  569   1HG2  THR  79          1HG2      THR  79 118.537   3.092   3.092
  570   2HG2  THR  79          3HG2      THR  79 118.430   4.852   4.852
  571   3HG2  THR  79          2HG2      THR  79 118.148   3.906   3.906
  572    H    ARG  80           H        ARG  80 120.684   0.124   0.124
  573    HA   ARG  80           HA       ARG  80 120.793  -0.235  -0.235
  574   1HB   ARG  80          2HB       ARG  80 120.429  -1.810  -1.810
  575   2HB   ARG  80          1HB       ARG  80 119.661  -2.511  -2.511
  576   1HG   ARG  80          2HG       ARG  80 122.194  -1.600  -1.600
  577   2HG   ARG  80          1HG       ARG  80 122.475  -2.404  -2.404
  578   1HD   ARG  80          2HD       ARG  80 122.220  -4.427  -4.427
  579   2HD   ARG  80          1HD       ARG  80 120.617  -3.962  -3.962
  580    HE   ARG  80           HE       ARG  80 121.780  -2.863  -2.863
  581   1HH1  ARG  80          1HH2      ARG  80 124.470  -3.261  -3.261
  582   2HH1  ARG  80          2HH2      ARG  80 125.242  -4.415  -4.415
  583   1HH2  ARG  80          2HH1      ARG  80 122.364  -5.135  -5.135
  584   2HH2  ARG  80          1HH1      ARG  80 124.052  -5.475  -5.475
  585    HA   PRO  81           HA       PRO  81 116.594   0.448   0.448
  586   1HB   PRO  81          2HB       PRO  81 116.190  -1.466  -1.466
  587   2HB   PRO  81          1HB       PRO  81 117.169  -0.011  -0.011
  588   1HG   PRO  81          2HG       PRO  81 118.048  -2.787  -2.787
  589   2HG   PRO  81          1HG       PRO  81 118.741  -1.619  -1.619
  590   1HD   PRO  81          2HD       PRO  81 119.801  -2.094  -2.094
  591   2HD   PRO  81          1HD       PRO  81 119.908  -0.515  -0.515
  592    H    VAL  82           H        VAL  82 117.594  -2.390  -2.390
  593    HA   VAL  82           HA       VAL  82 115.068  -3.845  -3.845
  594    HB   VAL  82           HB       VAL  82 117.389  -4.036  -4.036
  595   1HG1  VAL  82          1HG1      VAL  82 115.001  -5.603  -5.603
  596   2HG1  VAL  82          3HG1      VAL  82 116.466  -6.571  -6.571
  597   3HG1  VAL  82          2HG1      VAL  82 116.125  -5.730  -5.730
  598   1HG2  VAL  82          3HG2      VAL  82 117.219  -4.711  -4.711
  599   2HG2  VAL  82          2HG2      VAL  82 118.624  -4.270  -4.270
  600   3HG2  VAL  82          1HG2      VAL  82 117.980  -5.910  -5.910
  601    H    HIS  83           H        HIS  83 116.611  -1.429  -1.429
  602    HA   HIS  83           HA       HIS  83 114.821  -1.718  -1.718
  603   1HB   HIS  83          2HB       HIS  83 116.484   0.624   0.624
  604   2HB   HIS  83          1HB       HIS  83 115.776   0.494   0.494
  605    HD2  HIS  83           HD2      HIS  83 117.530  -0.708  -0.708
  606    HE1  HIS  83           HE1      HIS  83 119.829  -2.848  -2.848
  607    HE2  HIS  83           HE2      HIS  83 119.554  -2.274  -2.274
  608    H    ASP  84           H        ASP  84 114.919   0.410   0.410
  609    HA   ASP  84           HA       ASP  84 112.808   2.167   2.167
  610   1HB   ASP  84          2HB       ASP  84 113.466   0.719   0.719
  611   2HB   ASP  84          1HB       ASP  84 112.677   2.287   2.287
  612    H    ALA  85           H        ALA  85 112.536  -1.107  -1.107
  613    HA   ALA  85           HA       ALA  85 109.686  -1.113  -1.113
  614   1HB   ALA  85          2HB       ALA  85 111.698  -3.331  -3.331
  615   2HB   ALA  85          1HB       ALA  85 110.056  -3.588  -3.588
  616   3HB   ALA  85          3HB       ALA  85 111.223  -2.715  -2.715
  617    H    ALA  86           H        ALA  86 111.520  -2.979  -2.979
  618    HA   ALA  86           HA       ALA  86 109.453  -3.516  -3.516
  619   1HB   ALA  86          3HB       ALA  86 112.189  -3.867  -3.867
  620   2HB   ALA  86          2HB       ALA  86 112.028  -2.850  -2.850
  621   3HB   ALA  86          1HB       ALA  86 111.189  -4.399  -4.399
  622    H    ARG  87           H        ARG  87 111.771  -0.778  -0.778
  623    HA   ARG  87           HA       ARG  87 110.775   0.510   0.510
  624   1HB   ARG  87          2HB       ARG  87 112.679   1.077   1.077
  625   2HB   ARG  87          1HB       ARG  87 111.455   2.064   2.064
  626   1HG   ARG  87          2HG       ARG  87 111.217   2.648   2.648
  627   2HG   ARG  87          1HG       ARG  87 112.949   2.617   2.617
  628   1HD   ARG  87          2HD       ARG  87 110.923   4.198   4.198
  629   2HD   ARG  87          1HD       ARG  87 111.995   4.884   4.884
  630    HE   ARG  87           HE       ARG  87 113.628   3.385   3.385
  631   1HH1  ARG  87          1HH2      ARG  87 112.865   6.511   6.511
  632   2HH1  ARG  87          2HH2      ARG  87 113.158   7.157   7.157
  633   1HH2  ARG  87          2HH1      ARG  87 113.458   4.044   4.044
  634   2HH2  ARG  87          1HH1      ARG  87 113.494   5.759   5.759
  635    H    GLU  88           H        GLU  88 109.205   0.386   0.386
  636    HA   GLU  88           HA       GLU  88 107.156   2.341   2.341
  637   1HB   GLU  88          2HB       GLU  88 108.490   1.898   1.898
  638   2HB   GLU  88          1HB       GLU  88 106.861   1.278   1.278
  639   1HG   GLU  88          2HG       GLU  88 106.328   3.453   3.453
  640   2HG   GLU  88          1HG       GLU  88 106.331   3.606   3.606
  641    H    GLY  89           H        GLY  89 107.654  -0.993  -0.993
  642   1HA   GLY  89          2HA       GLY  89 106.152  -2.697  -2.697
  643   2HA   GLY  89          1HA       GLY  89 104.849  -1.508  -1.508
  644    H    PHE  90           H        PHE  90 107.066  -2.169  -2.169
  645    HA   PHE  90           HA       PHE  90 104.691  -3.121  -3.121
  646   1HB   PHE  90          2HB       PHE  90 106.371  -0.931  -0.931
  647   2HB   PHE  90          1HB       PHE  90 106.993  -2.114  -2.114
  648    HD1  PHE  90           HD2      PHE  90 105.380  -3.223  -3.223
  649    HD2  PHE  90           HD1      PHE  90 104.319   0.195   0.195
  650    HE1  PHE  90           HE2      PHE  90 103.462  -2.779  -2.779
  651    HE2  PHE  90           HE1      PHE  90 102.395   0.637   0.637
  652    HZ   PHE  90           HZ       PHE  90 101.972  -0.848  -0.848
  653    H    LEU  91           H        LEU  91 104.938  -5.373  -5.373
  654    HA   LEU  91           HA       LEU  91 107.584  -6.615  -6.615
  655   1HB   LEU  91          2HB       LEU  91 105.264  -7.291  -7.291
  656   2HB   LEU  91          1HB       LEU  91 105.114  -8.228  -8.228
  657    HG   LEU  91           HG       LEU  91 107.616  -8.229  -8.229
  658   1HD1  LEU  91          3HD1      LEU  91 105.335  -9.174  -9.174
  659   2HD1  LEU  91          2HD1      LEU  91 105.718 -10.536 -10.536
  660   3HD1  LEU  91          1HD1      LEU  91 106.849 -10.054 -10.054
  661   1HD2  LEU  91          2HD2      LEU  91 106.921  -9.246  -9.246
  662   2HD2  LEU  91          1HD2      LEU  91 108.458  -9.374  -9.374
  663   3HD2  LEU  91          3HD2      LEU  91 107.218 -10.606 -10.606
  664    H    ASP  92           H        ASP  92 104.685  -6.090  -6.090
  665    HA   ASP  92           HA       ASP  92 105.130  -7.766  -7.766
  666   1HB   ASP  92          2HB       ASP  92 104.022  -5.008  -5.008
  667   2HB   ASP  92          1HB       ASP  92 104.188  -5.617  -5.617
  668    H    THR  93           H        THR  93 106.623  -4.589  -4.589
  669    HA   THR  93           HA       THR  93 108.201  -4.459  -4.459
  670    HB   THR  93           HB       THR  93 108.393  -3.252  -3.252
  671    HG1  THR  93           HG1      THR  93 106.882  -2.143  -2.143
  672   1HG2  THR  93          2HG2      THR  93 110.205  -2.928  -2.928
  673   2HG2  THR  93          1HG2      THR  93 109.979  -1.605  -1.605
  674   3HG2  THR  93          3HG2      THR  93 110.638  -3.146  -3.146
  675    H    LEU  94           H        LEU  94 108.793  -5.778  -5.778
  676    HA   LEU  94           HA       LEU  94 111.527  -6.412  -6.412
  677   1HB   LEU  94          2HB       LEU  94 109.258  -7.005  -7.005
  678   2HB   LEU  94          1HB       LEU  94 109.979  -8.560  -8.560
  679    HG   LEU  94           HG       LEU  94 112.143  -7.833  -7.833
  680   1HD1  LEU  94          1HD1      LEU  94 111.050  -5.241  -5.241
  681   2HD1  LEU  94          3HD1      LEU  94 111.393  -5.381  -5.381
  682   3HD1  LEU  94          2HD1      LEU  94 112.676  -5.648  -5.648
  683   1HD2  LEU  94          1HD2      LEU  94 109.688  -7.794  -7.794
  684   2HD2  LEU  94          3HD2      LEU  94 111.194  -8.676  -8.676
  685   3HD2  LEU  94          2HD2      LEU  94 111.062  -6.992  -6.992
  686    H    VAL  95           H        VAL  95 108.762  -8.416  -8.416
  687    HA   VAL  95           HA       VAL  95 110.230 -10.620 -10.620
  688    HB   VAL  95           HB       VAL  95 107.685  -9.352  -9.352
  689   1HG1  VAL  95          1HG1      VAL  95 109.151 -11.849 -11.849
  690   2HG1  VAL  95          3HG1      VAL  95 107.442 -12.089 -12.089
  691   3HG1  VAL  95          2HG1      VAL  95 107.920 -11.032 -11.032
  692   1HG2  VAL  95          2HG2      VAL  95 108.287 -11.047 -11.047
  693   2HG2  VAL  95          1HG2      VAL  95 107.172  -9.690  -9.690
  694   3HG2  VAL  95          3HG2      VAL  95 106.747 -11.263 -11.263
  695    H    VAL  96           H        VAL  96 109.083  -7.707  -7.707
  696    HA   VAL  96           HA       VAL  96 110.119  -8.199  -8.199
  697    HB   VAL  96           HB       VAL  96 110.202  -5.565  -5.565
  698   1HG1  VAL  96          1HG1      VAL  96 110.189  -6.355  -6.355
  699   2HG1  VAL  96          3HG1      VAL  96 109.560  -4.786  -4.786
  700   3HG1  VAL  96          2HG1      VAL  96 111.241  -5.209  -5.209
  701   1HG2  VAL  96          1HG2      VAL  96 107.944  -7.218  -7.218
  702   2HG2  VAL  96          3HG2      VAL  96 107.974  -6.037  -6.037
  703   3HG2  VAL  96          2HG2      VAL  96 107.868  -5.494  -5.494
  704    H    LEU  97           H        LEU  97 111.826  -6.503  -6.503
  705    HA   LEU  97           HA       LEU  97 114.319  -6.077  -6.077
  706   1HB   LEU  97          2HB       LEU  97 113.231  -6.494  -6.494
  707   2HB   LEU  97          1HB       LEU  97 114.978  -6.639  -6.639
  708    HG   LEU  97           HG       LEU  97 114.270  -4.372  -4.372
  709   1HD1  LEU  97          2HD1      LEU  97 112.218  -4.795  -4.795
  710   2HD1  LEU  97          1HD1      LEU  97 113.265  -3.647  -3.647
  711   3HD1  LEU  97          3HD1      LEU  97 112.614  -3.256  -3.256
  712   1HD2  LEU  97          1HD2      LEU  97 115.810  -5.051  -5.051
  713   2HD2  LEU  97          3HD2      LEU  97 116.255  -4.026  -4.026
  714   3HD2  LEU  97          2HD2      LEU  97 115.265  -3.374  -3.374
  715    H    HIS  98           H        HIS  98 113.756  -8.809  -8.809
  716    HA   HIS  98           HA       HIS  98 116.061 -10.294 -10.294
  717   1HB   HIS  98          2HB       HIS  98 114.466 -10.420 -10.420
  718   2HB   HIS  98          1HB       HIS  98 113.505 -11.501 -11.501
  719    HD1  HIS  98           HD1      HIS  98 114.912 -12.599 -12.599
  720    HD2  HIS  98           HD2      HIS  98 116.603 -12.686 -12.686
  721    HE1  HIS  98           HE1      HIS  98 116.646 -14.446 -14.446
  722    H    ARG  99           H        ARG  99 112.780 -10.200 -10.200
  723    HA   ARG  99           HA       ARG  99 112.804 -12.597 -12.597
  724   1HB   ARG  99          2HB       ARG  99 110.781 -11.358 -11.358
  725   2HB   ARG  99          1HB       ARG  99 111.444  -9.910  -9.910
  726   1HG   ARG  99          2HG       ARG  99 111.578 -11.237 -11.237
  727   2HG   ARG  99          1HG       ARG  99 110.636 -12.492 -12.492
  728   1HD   ARG  99          2HD       ARG  99 109.343  -9.980  -9.980
  729   2HD   ARG  99          1HD       ARG  99 109.663 -10.113 -10.113
  730    HE   ARG  99           HE       ARG  99 107.986 -11.958 -11.958
  731   1HH1  ARG  99          1HH2      ARG  99 108.317 -10.524 -10.524
  732   2HH1  ARG  99          2HH2      ARG  99 108.006 -11.941 -11.941
  733   1HH2  ARG  99          2HH1      ARG  99 108.154 -14.105 -14.105
  734   2HH2  ARG  99          1HH1      ARG  99 107.914 -13.967 -13.967
  735    H    ALA 100           H        ALA 100 114.549  -9.655  -9.655
  736    HA   ALA 100           HA       ALA 100 115.303 -10.580 -10.580
  737   1HB   ALA 100          1HB       ALA 100 113.891  -8.290  -8.290
  738   2HB   ALA 100          3HB       ALA 100 115.509  -7.723  -7.723
  739   3HB   ALA 100          2HB       ALA 100 114.556  -8.604  -8.604
  740    H    GLY 101           H        GLY 101 116.319  -8.601  -8.601
  741   1HA   GLY 101          2HA       GLY 101 118.885  -9.733  -9.733
  742   2HA   GLY 101          1HA       GLY 101 119.031  -8.334  -8.334
  743    H    ALA 102           H        ALA 102 118.906  -9.331  -9.331
  744    HA   ALA 102           HA       ALA 102 119.269  -6.592  -6.592
  745   1HB   ALA 102          2HB       ALA 102 116.679  -8.099  -8.099
  746   2HB   ALA 102          1HB       ALA 102 117.157  -6.830  -6.830
  747   3HB   ALA 102          3HB       ALA 102 116.914  -6.450  -6.450
  748    H    ARG 103           H        ARG 103 120.931  -7.038  -7.038
  749    HA   ARG 103           HA       ARG 103 121.310  -9.535  -9.535
  750   1HB   ARG 103          2HB       ARG 103 123.019  -7.762  -7.762
  751   2HB   ARG 103          1HB       ARG 103 122.368  -6.780  -6.780
  752   1HG   ARG 103          2HG       ARG 103 122.765  -9.217  -9.217
  753   2HG   ARG 103          1HG       ARG 103 124.131  -9.131  -9.131
  754   1HD   ARG 103          2HD       ARG 103 124.034  -6.561  -6.561
  755   2HD   ARG 103          1HD       ARG 103 123.653  -7.598  -7.598
  756    HE   ARG 103           HE       ARG 103 126.144  -7.734  -7.734
  757   1HH1  ARG 103          1HH2      ARG 103 124.224  -9.895  -9.895
  758   2HH1  ARG 103          2HH2      ARG 103 125.430 -10.369 -10.369
  759   1HH2  ARG 103          2HH1      ARG 103 127.681  -7.907  -7.907
  760   2HH2  ARG 103          1HH1      ARG 103 127.389  -9.243  -9.243
  761    H    LEU 104           H        LEU 104 119.424 -10.047 -10.047
  762    HA   LEU 104           HA       LEU 104 118.332  -8.095  -8.095
  763   1HB   LEU 104          2HB       LEU 104 117.492 -10.423 -10.423
  764   2HB   LEU 104          1HB       LEU 104 117.358 -10.791 -10.791
  765    HG   LEU 104           HG       LEU 104 116.312  -8.201  -8.201
  766   1HD1  LEU 104          2HD1      LEU 104 115.345 -10.353 -10.353
  767   2HD1  LEU 104          1HD1      LEU 104 114.597 -10.632 -10.632
  768   3HD1  LEU 104          3HD1      LEU 104 114.209  -9.175  -9.175
  769   1HD2  LEU 104          2HD2      LEU 104 116.692  -8.640  -8.640
  770   2HD2  LEU 104          1HD2      LEU 104 115.087  -8.085  -8.085
  771   3HD2  LEU 104          3HD2      LEU 104 115.362  -9.790  -9.790
  772    H    ASP 105           H        ASP 105 120.836  -8.280  -8.280
  773    HA   ASP 105           HA       ASP 105 120.645  -9.549  -9.549
  774   1HB   ASP 105          2HB       ASP 105 121.144 -11.378 -11.378
  775   2HB   ASP 105          1HB       ASP 105 122.772 -10.696 -10.696
  776    H    VAL 106           H        VAL 106 121.249  -6.913  -6.913
  777    HA   VAL 106           HA       VAL 106 124.177  -6.623  -6.623
  778    HB   VAL 106           HB       VAL 106 122.756  -5.653  -5.653
  779   1HG1  VAL 106          1HG1      VAL 106 121.405  -4.456  -4.456
  780   2HG1  VAL 106          3HG1      VAL 106 122.422  -3.167  -3.167
  781   3HG1  VAL 106          2HG1      VAL 106 121.286  -4.010  -4.010
  782   1HG2  VAL 106          1HG2      VAL 106 125.110  -4.802  -4.802
  783   2HG2  VAL 106          3HG2      VAL 106 124.721  -4.620  -4.620
  784   3HG2  VAL 106          2HG2      VAL 106 124.250  -3.368  -3.368
  785    H    ARG 107           H        ARG 107 124.311  -4.122  -4.122
  786    HA   ARG 107           HA       ARG 107 122.516  -4.071  -4.071
  787   1HB   ARG 107          2HB       ARG 107 124.524  -3.898  -3.898
  788   2HB   ARG 107          1HB       ARG 107 124.507  -5.415  -5.415
  789   1HG   ARG 107          2HG       ARG 107 126.525  -4.913  -4.913
  790   2HG   ARG 107          1HG       ARG 107 125.826  -3.499  -3.499
  791   1HD   ARG 107          2HD       ARG 107 126.114  -2.255  -2.255
  792   2HD   ARG 107          1HD       ARG 107 127.072  -3.642  -3.642
  793    HE   ARG 107           HE       ARG 107 127.890  -2.643  -2.643
  794   1HH1  ARG 107          2HH1      ARG 107 129.066  -3.657  -3.657
  795   2HH1  ARG 107          1HH1      ARG 107 130.266  -2.422  -2.422
  796   1HH2  ARG 107          1HH2      ARG 107 129.064  -0.482  -0.482
  797   2HH2  ARG 107          2HH2      ARG 107 130.265  -0.627  -0.627
  798    H    ASP 108           H        ASP 108 121.649  -2.051  -2.051
  799    HA   ASP 108           HA       ASP 108 122.630   0.172   0.172
  800   1HB   ASP 108          2HB       ASP 108 120.495  -0.510  -0.510
  801   2HB   ASP 108          1HB       ASP 108 121.220   0.929   0.929
  802    H    ALA 109           H        ALA 109 123.899   1.990   1.990
  803    HA   ALA 109           HA       ALA 109 126.116   1.611   1.611
  804   1HB   ALA 109          1HB       ALA 109 124.729   4.078   4.078
  805   2HB   ALA 109          3HB       ALA 109 126.283   4.137   4.137
  806   3HB   ALA 109          2HB       ALA 109 126.126   3.249   3.249
  807    H    TRP 110           H        TRP 110 122.871   2.780   2.780
  808    HA   TRP 110           HA       TRP 110 123.326   4.088   4.088
  809   1HB   TRP 110          2HB       TRP 110 120.915   2.494   2.494
  810   2HB   TRP 110          1HB       TRP 110 120.917   3.793   3.793
  811    HD1  TRP 110           HD1      TRP 110 119.550   3.520   3.520
  812    HE1  TRP 110           HE1      TRP 110 119.801   5.599   5.599
  813    HE3  TRP 110           HE3      TRP 110 123.405   5.865   5.865
  814    HZ2  TRP 110           HZ2      TRP 110 121.424   7.946   7.946
  815    HZ3  TRP 110           HZ3      TRP 110 124.286   8.018   8.018
  816    HH2  TRP 110           HH2      TRP 110 123.303   9.061   9.061
  817    H    GLY 111           H        GLY 111 123.517   0.760   0.760
  818   1HA   GLY 111          2HA       GLY 111 124.243  -1.015  -1.015
  819   2HA   GLY 111          1HA       GLY 111 123.992   0.026   0.026
  820    H    ARG 112           H        ARG 112 121.749  -0.876  -0.876
  821    HA   ARG 112           HA       ARG 112 120.105  -2.453  -2.453
  822   1HB   ARG 112          2HB       ARG 112 119.582   0.306   0.306
  823   2HB   ARG 112          1HB       ARG 112 118.206  -0.793  -0.793
  824   1HG   ARG 112          2HG       ARG 112 117.874  -0.403  -0.403
  825   2HG   ARG 112          1HG       ARG 112 119.354  -1.311  -1.311
  826   1HD   ARG 112          2HD       ARG 112 120.664   0.811   0.811
  827   2HD   ARG 112          1HD       ARG 112 119.127   1.691   1.691
  828    HE   ARG 112           HE       ARG 112 120.214   0.576   0.576
  829   1HH1  ARG 112          2HH1      ARG 112 117.528  -0.760  -0.760
  830   2HH1  ARG 112          1HH1      ARG 112 116.464   0.341   0.341
  831   1HH2  ARG 112          1HH2      ARG 112 118.771   2.927   2.927
  832   2HH2  ARG 112          2HH2      ARG 112 117.166   2.427   2.427
  833    H    LEU 113           H        LEU 113 120.085  -4.285  -4.285
  834    HA   LEU 113           HA       LEU 113 120.088  -4.384  -4.384
  835   1HB   LEU 113          2HB       LEU 113 119.668  -6.122  -6.122
  836   2HB   LEU 113          1HB       LEU 113 118.486  -6.509  -6.509
  837    HG   LEU 113           HG       LEU 113 120.580  -6.329  -6.329
  838   1HD1  LEU 113          3HD1      LEU 113 121.775  -6.880  -6.880
  839   2HD1  LEU 113          2HD1      LEU 113 122.602  -7.254  -7.254
  840   3HD1  LEU 113          1HD1      LEU 113 122.203  -5.583  -5.583
  841   1HD2  LEU 113          1HD2      LEU 113 119.180  -8.424  -8.424
  842   2HD2  LEU 113          3HD2      LEU 113 120.225  -8.555  -8.555
  843   3HD2  LEU 113          2HD2      LEU 113 120.882  -8.835  -8.835
  844    HA   PRO 114           HA       PRO 114 116.043  -3.217  -3.217
  845   1HB   PRO 114          2HB       PRO 114 115.366  -5.130  -5.130
  846   2HB   PRO 114          1HB       PRO 114 116.568  -3.864  -3.864
  847   1HG   PRO 114          2HG       PRO 114 116.984  -6.708  -6.708
  848   2HG   PRO 114          1HG       PRO 114 117.869  -5.722  -5.722
  849   1HD   PRO 114          2HD       PRO 114 118.807  -6.237  -6.237
  850   2HD   PRO 114          1HD       PRO 114 119.174  -4.733  -4.733
  851    H    VAL 115           H        VAL 115 116.419  -6.638  -6.638
  852    HA   VAL 115           HA       VAL 115 113.589  -7.105  -7.105
  853    HB   VAL 115           HB       VAL 115 115.121  -8.920  -8.920
  854   1HG1  VAL 115          2HG1      VAL 115 116.868  -7.547  -7.547
  855   2HG1  VAL 115          1HG1      VAL 115 116.574  -9.120  -9.120
  856   3HG1  VAL 115          3HG1      VAL 115 117.206  -9.020  -9.020
  857   1HG2  VAL 115          3HG2      VAL 115 114.199  -9.061  -9.061
  858   2HG2  VAL 115          2HG2      VAL 115 113.233  -9.474  -9.474
  859   3HG2  VAL 115          1HG2      VAL 115 114.640 -10.449 -10.449
  860    H    ASP 116           H        ASP 116 116.275  -5.883  -5.883
  861    HA   ASP 116           HA       ASP 116 114.976  -6.233  -6.233
  862   1HB   ASP 116          2HB       ASP 116 117.437  -5.121  -5.121
  863   2HB   ASP 116          1HB       ASP 116 116.855  -4.199  -4.199
  864    H    LEU 117           H        LEU 117 115.243  -3.607  -3.607
  865    HA   LEU 117           HA       LEU 117 113.946  -1.589  -1.589
  866   1HB   LEU 117          2HB       LEU 117 115.407  -1.115  -1.115
  867   2HB   LEU 117          1HB       LEU 117 114.296  -1.956  -1.956
  868    HG   LEU 117           HG       LEU 117 112.913   0.071   0.071
  869   1HD1  LEU 117          2HD1      LEU 117 115.320   1.010   1.010
  870   2HD1  LEU 117          1HD1      LEU 117 114.933   1.169   1.169
  871   3HD1  LEU 117          3HD1      LEU 117 113.980   2.037   2.037
  872   1HD2  LEU 117          2HD2      LEU 117 113.184  -0.871  -0.871
  873   2HD2  LEU 117          1HD2      LEU 117 111.731  -0.497  -0.497
  874   3HD2  LEU 117          3HD2      LEU 117 112.678   0.805   0.805
  875    H    ALA 118           H        ALA 118 112.770  -3.877  -3.877
  876    HA   ALA 118           HA       ALA 118 110.094  -2.979  -2.979
  877   1HB   ALA 118          3HB       ALA 118 111.604  -5.521  -5.521
  878   2HB   ALA 118          2HB       ALA 118 109.844  -5.632  -5.632
  879   3HB   ALA 118          1HB       ALA 118 110.638  -4.606  -4.606
  880    H    GLU 119           H        GLU 119 111.454  -5.428  -5.428
  881    HA   GLU 119           HA       GLU 119 109.002  -5.942  -5.942
  882   1HB   GLU 119          2HB       GLU 119 111.928  -6.192  -6.192
  883   2HB   GLU 119          1HB       GLU 119 110.598  -6.902  -6.902
  884   1HG   GLU 119          2HG       GLU 119 110.059  -7.754  -7.754
  885   2HG   GLU 119          1HG       GLU 119 111.821  -7.796  -7.796
  886    H    GLU 120           H        GLU 120 111.330  -3.354  -3.354
  887    HA   GLU 120           HA       GLU 120 110.589  -2.473  -2.473
  888   1HB   GLU 120          2HB       GLU 120 112.821  -2.150  -2.150
  889   2HB   GLU 120          1HB       GLU 120 112.115  -1.165  -1.165
  890   1HG   GLU 120          2HG       GLU 120 111.134   0.123   0.123
  891   2HG   GLU 120          1HG       GLU 120 112.659  -0.477  -0.477
  892    H    LEU 121           H        LEU 121 110.318  -0.771  -0.771
  893    HA   LEU 121           HA       LEU 121 108.427   1.166   1.166
  894   1HB   LEU 121          2HB       LEU 121 109.557   0.076   0.076
  895   2HB   LEU 121          1HB       LEU 121 107.925   0.711   0.711
  896    HG   LEU 121           HG       LEU 121 109.853   2.354   2.354
  897   1HD1  LEU 121          3HD1      LEU 121 109.927   1.994   1.994
  898   2HD1  LEU 121          2HD1      LEU 121 110.616   3.394   3.394
  899   3HD1  LEU 121          1HD1      LEU 121 111.257   1.782   1.782
  900   1HD2  LEU 121          3HD2      LEU 121 107.684   2.946   2.946
  901   2HD2  LEU 121          2HD2      LEU 121 107.530   3.085   3.085
  902   3HD2  LEU 121          1HD2      LEU 121 108.608   4.169   4.169
  903    H    GLY 122           H        GLY 122 107.380  -1.166  -1.166
  904   1HA   GLY 122          2HA       GLY 122 105.438  -2.570  -2.570
  905   2HA   GLY 122          1HA       GLY 122 104.661  -1.150  -1.150
  906    H    HIS 123           H        HIS 123 107.287  -2.980  -2.980
  907    HA   HIS 123           HA       HIS 123 105.469  -3.603  -3.603
  908   1HB   HIS 123          2HB       HIS 123 108.495  -3.691  -3.691
  909   2HB   HIS 123          1HB       HIS 123 107.468  -3.484  -3.484
  910    HD1  HIS 123           HD1      HIS 123 105.708  -1.217  -1.217
  911    HD2  HIS 123           HD2      HIS 123 109.579  -1.236  -1.236
  912    HE1  HIS 123           HE1      HIS 123 106.283   1.192   1.192
  913    H    ARG 124           H        ARG 124 105.456  -5.140  -5.140
  914    HA   ARG 124           HA       ARG 124 107.003  -7.444  -7.444
  915   1HB   ARG 124          2HB       ARG 124 104.213  -6.627  -6.627
  916   2HB   ARG 124          1HB       ARG 124 104.491  -8.369  -8.369
  917   1HG   ARG 124          2HG       ARG 124 106.495  -7.951  -7.951
  918   2HG   ARG 124          1HG       ARG 124 105.853  -6.323  -6.323
  919   1HD   ARG 124          2HD       ARG 124 103.641  -7.419  -7.419
  920   2HD   ARG 124          1HD       ARG 124 104.536  -8.949  -8.949
  921    HE   ARG 124           HE       ARG 124 106.057  -7.031  -7.031
  922   1HH1  ARG 124          1HH2      ARG 124 102.746  -7.273  -7.273
  923   2HH1  ARG 124          2HH2      ARG 124 102.742  -7.788  -7.788
  924   1HH2  ARG 124          2HH1      ARG 124 106.171  -8.285  -8.285
  925   2HH2  ARG 124          1HH1      ARG 124 104.680  -8.360  -8.360
  926    H    ASP 125           H        ASP 125 104.163  -6.908  -6.908
  927    HA   ASP 125           HA       ASP 125 104.065  -9.463  -9.463
  928   1HB   ASP 125          2HB       ASP 125 103.024  -8.100  -8.100
  929   2HB   ASP 125          1HB       ASP 125 102.280  -7.899  -7.899
  930    H    VAL 126           H        VAL 126 106.016  -6.579  -6.579
  931    HA   VAL 126           HA       VAL 126 107.228  -7.774  -7.774
  932    HB   VAL 126           HB       VAL 126 108.278  -5.480  -5.480
  933   1HG1  VAL 126          2HG1      VAL 126 108.801  -6.598  -6.598
  934   2HG1  VAL 126          1HG1      VAL 126 108.645  -4.842  -4.842
  935   3HG1  VAL 126          3HG1      VAL 126 109.853  -5.658  -5.658
  936   1HG2  VAL 126          1HG2      VAL 126 105.896  -5.672  -5.672
  937   2HG2  VAL 126          3HG2      VAL 126 106.122  -4.701  -4.701
  938   3HG2  VAL 126          2HG2      VAL 126 106.871  -4.204  -4.204
  939    H    ALA 127           H        ALA 127 108.446  -7.076  -7.076
  940    HA   ALA 127           HA       ALA 127 111.002  -8.176  -8.176
  941   1HB   ALA 127          3HB       ALA 127 108.991  -7.552  -7.552
  942   2HB   ALA 127          2HB       ALA 127 109.971  -8.934  -8.934
  943   3HB   ALA 127          1HB       ALA 127 110.745  -7.399  -7.399
  944    H    ARG 128           H        ARG 128 107.930  -9.917  -9.917
  945    HA   ARG 128           HA       ARG 128 108.704 -12.466 -12.466
  946   1HB   ARG 128          2HB       ARG 128 106.760 -11.378 -11.378
  947   2HB   ARG 128          1HB       ARG 128 106.945 -13.127 -13.127
  948   1HG   ARG 128          2HG       ARG 128 106.604 -12.846 -12.846
  949   2HG   ARG 128          1HG       ARG 128 106.150 -11.175 -11.175
  950   1HD   ARG 128          2HD       ARG 128 104.363 -12.005 -12.005
  951   2HD   ARG 128          1HD       ARG 128 104.766 -13.663 -13.663
  952    HE   ARG 128           HE       ARG 128 103.249 -11.799 -11.799
  953   1HH1  ARG 128          2HH1      ARG 128 103.980 -14.923 -14.923
  954   2HH1  ARG 128          1HH1      ARG 128 104.434 -15.031 -15.031
  955   1HH2  ARG 128          1HH2      ARG 128 104.602 -11.597 -11.597
  956   2HH2  ARG 128          2HH2      ARG 128 104.785 -13.149 -13.149
  957    H    TYR 129           H        TYR 129 108.415 -11.741 -11.741
  958    HA   TYR 129           HA       TYR 129 110.225 -13.895 -13.895
  959   1HB   TYR 129          2HB       TYR 129 108.390 -13.210 -13.210
  960   2HB   TYR 129          1HB       TYR 129 109.011 -11.560 -11.560
  961    HD1  TYR 129           HD2      TYR 129 111.082 -14.649 -14.649
  962    HD2  TYR 129           HD1      TYR 129 109.392 -11.390 -11.390
  963    HE1  TYR 129           HE2      TYR 129 112.490 -15.254 -15.254
  964    HE2  TYR 129           HE1      TYR 129 110.801 -11.997 -11.997
  965    HH   TYR 129           HH       TYR 129 111.943 -14.302 -14.302
  966    H    LEU 130           H        LEU 130 110.576 -10.440 -10.440
  967    HA   LEU 130           HA       LEU 130 113.173 -10.150 -10.150
  968   1HB   LEU 130          2HB       LEU 130 112.201  -8.100  -8.100
  969   2HB   LEU 130          1HB       LEU 130 111.209  -8.626  -8.626
  970    HG   LEU 130           HG       LEU 130 113.246  -8.467  -8.467
  971   1HD1  LEU 130          3HD1      LEU 130 114.685  -8.517  -8.517
  972   2HD1  LEU 130          2HD1      LEU 130 114.494  -6.768  -6.768
  973   3HD1  LEU 130          1HD1      LEU 130 115.263  -7.661  -7.661
  974   1HD2  LEU 130          3HD2      LEU 130 111.838  -6.227  -6.227
  975   2HD2  LEU 130          2HD2      LEU 130 112.026  -6.571  -6.571
  976   3HD2  LEU 130          1HD2      LEU 130 113.329  -5.784  -5.784
  977    H    ARG 131           H        ARG 131 112.087 -11.607 -11.607
  978    HA   ARG 131           HA       ARG 131 114.627 -11.216 -11.216
  979   1HB   ARG 131          2HB       ARG 131 112.476 -11.205 -11.205
  980   2HB   ARG 131          1HB       ARG 131 112.097 -12.806 -12.806
  981   1HG   ARG 131          2HG       ARG 131 113.737 -13.850 -13.850
  982   2HG   ARG 131          1HG       ARG 131 114.597 -12.338 -12.338
  983   1HD   ARG 131          2HD       ARG 131 112.409 -11.563 -11.563
  984   2HD   ARG 131          1HD       ARG 131 112.016 -13.293 -13.293
  985    HE   ARG 131           HE       ARG 131 114.385 -13.531 -13.531
  986   1HH1  ARG 131          1HH2      ARG 131 111.865 -11.972 -11.972
  987   2HH1  ARG 131          2HH2      ARG 131 112.778 -10.905 -10.905
  988   1HH2  ARG 131          2HH1      ARG 131 115.809 -11.620 -11.620
  989   2HH2  ARG 131          1HH1      ARG 131 115.012 -10.704 -10.704
  990    H    ALA 132           H        ALA 132 112.833 -13.884 -13.884
  991    HA   ALA 132           HA       ALA 132 114.796 -15.918 -15.918
  992   1HB   ALA 132          2HB       ALA 132 112.546 -15.561 -15.561
  993   2HB   ALA 132          1HB       ALA 132 113.544 -17.015 -17.015
  994   3HB   ALA 132          3HB       ALA 132 112.597 -16.605 -16.605
  995    H    ALA 133           H        ALA 133 114.465 -13.513 -13.513
  996    HA   ALA 133           HA       ALA 133 116.622 -14.712 -14.712
  997   1HB   ALA 133          2HB       ALA 133 114.576 -12.553 -12.553
  998   2HB   ALA 133          1HB       ALA 133 116.028 -12.388 -12.388
  999   3HB   ALA 133          3HB       ALA 133 115.004 -13.813 -13.813
 1000    H    ALA 134           H        ALA 134 116.182 -12.184 -12.184
 1001    HA   ALA 134           HA       ALA 134 119.014 -11.295 -11.295
 1002   1HB   ALA 134          1HB       ALA 134 116.808  -9.796  -9.796
 1003   2HB   ALA 134          3HB       ALA 134 117.013  -9.600  -9.600
 1004   3HB   ALA 134          2HB       ALA 134 118.304  -9.117  -9.117
 1005    H    GLY 135           H        GLY 135 118.999 -13.434 -13.434
 1006   1HA   GLY 135          2HA       GLY 135 120.167 -12.929 -12.929
 1007   2HA   GLY 135          1HA       GLY 135 118.455 -12.820 -12.820
 1008    H    GLY 136           H        GLY 136 121.059 -14.962 -14.962
 1009   1HA   GLY 136          2HA       GLY 136 119.185 -17.291 -17.291
 1010   2HA   GLY 136          1HA       GLY 136 120.813 -17.334 -17.334
 1011    H    THR 137           H        THR 137 121.313 -15.545 -15.545
 1012    HA   THR 137           HA       THR 137 122.516 -17.705 -17.705
 1013    HB   THR 137           HB       THR 137 123.094 -15.847 -15.847
 1014    HG1  THR 137           HG1      THR 137 122.161 -13.877 -13.877
 1015   1HG2  THR 137          3HG2      THR 137 123.360 -15.511 -15.511
 1016   2HG2  THR 137          2HG2      THR 137 123.927 -14.219 -14.219
 1017   3HG2  THR 137          1HG2      THR 137 124.604 -15.840 -15.840
 1018    H    ARG 138           H        ARG 138 121.011 -19.145 -19.145
 1019    HA   ARG 138           HA       ARG 138 118.650 -18.042 -18.042
 1020   1HB   ARG 138          2HB       ARG 138 119.538 -20.697 -20.697
 1021   2HB   ARG 138          1HB       ARG 138 118.275 -20.651 -20.651
 1022   1HG   ARG 138          2HG       ARG 138 116.737 -19.895 -19.895
 1023   2HG   ARG 138          1HG       ARG 138 117.834 -18.659 -18.659
 1024   1HD   ARG 138          2HD       ARG 138 118.527 -19.970 -19.970
 1025   2HD   ARG 138          1HD       ARG 138 118.484 -21.456 -21.456
 1026    HE   ARG 138           HE       ARG 138 116.093 -21.594 -21.594
 1027   1HH1  ARG 138          1HH2      ARG 138 116.818 -18.396 -18.396
 1028   2HH1  ARG 138          2HH2      ARG 138 115.881 -18.282 -18.282
 1029   1HH2  ARG 138          2HH1      ARG 138 115.241 -21.685 -21.685
 1030   2HH2  ARG 138          1HH1      ARG 138 114.989 -20.143 -20.143
 1031    H    GLY 139           H        GLY 139 119.298 -17.390 -17.390
 1032   1HA   GLY 139          2HA       GLY 139 119.659 -18.004 -18.004
 1033   2HA   GLY 139          1HA       GLY 139 120.445 -19.487 -19.487
 1034    H    SER 140           H        SER 140 122.650 -19.400 -19.400
 1035    HA   SER 140           HA       SER 140 124.302 -17.493 -17.493
 1036   1HB   SER 140          2HB       SER 140 124.650 -19.627 -19.627
 1037   2HB   SER 140          1HB       SER 140 126.009 -18.573 -18.573
 1038    HG   SER 140           HG       SER 140 126.246 -19.622 -19.622
 1039    H    ASN 141           H        ASN 141 125.436 -15.683 -15.683
 1040    HA   ASN 141           HA       ASN 141 124.197 -14.328 -14.328
 1041   1HB   ASN 141          2HB       ASN 141 125.472 -13.632 -13.632
 1042   2HB   ASN 141          1HB       ASN 141 126.648 -13.186 -13.186
 1043   1HD2  ASN 141          1HD2      ASN 141 125.662 -11.862 -11.862
 1044   2HD2  ASN 141          2HD2      ASN 141 124.459 -10.732 -10.732
 1045    H    HIS 142           H        HIS 142 126.517 -16.711 -16.711
 1046    HA   HIS 142           HA       HIS 142 128.186 -17.429 -17.429
 1047   1HB   HIS 142          2HB       HIS 142 125.978 -16.461 -16.461
 1048   2HB   HIS 142          1HB       HIS 142 127.311 -15.588 -15.588
 1049    HD1  HIS 142           HD1      HIS 142 127.101 -19.182 -19.182
 1050    HD2  HIS 142           HD2      HIS 142 127.979 -17.091 -17.091
 1051    HE1  HIS 142           HE1      HIS 142 127.797 -20.913 -20.913
 1052    H    ALA 143           H        ALA 143 129.833 -16.340 -16.340
 1053    HA   ALA 143           HA       ALA 143 131.080 -14.049 -14.049
 1054   1HB   ALA 143          1HB       ALA 143 132.261 -16.254 -16.254
 1055   2HB   ALA 143          3HB       ALA 143 132.217 -15.870 -15.870
 1056   3HB   ALA 143          2HB       ALA 143 133.119 -14.840 -14.840
 1057    H    ARG 144           H        ARG 144 131.110 -12.051 -12.051
 1058    HA   ARG 144           HA       ARG 144 131.098 -11.764 -11.764
 1059   1HB   ARG 144          2HB       ARG 144 128.957 -10.476 -10.476
 1060   2HB   ARG 144          1HB       ARG 144 128.733 -12.161 -12.161
 1061   1HG   ARG 144          2HG       ARG 144 129.128 -11.212 -11.212
 1062   2HG   ARG 144          1HG       ARG 144 128.631  -9.689  -9.689
 1063   1HD   ARG 144          2HD       ARG 144 126.736 -11.439 -11.439
 1064   2HD   ARG 144          1HD       ARG 144 127.003 -12.049 -12.049
 1065    HE   ARG 144           HE       ARG 144 126.584  -9.722  -9.722
 1066   1HH1  ARG 144          1HH2      ARG 144 124.753 -11.065 -11.065
 1067   2HH1  ARG 144          2HH2      ARG 144 124.016  -9.584  -9.584
 1068   1HH2  ARG 144          2HH1      ARG 144 126.037  -7.581  -7.581
 1069   2HH2  ARG 144          1HH1      ARG 144 124.743  -7.613  -7.613
 1070    H    ILE 145           H        ILE 145 133.108 -10.651 -10.651
 1071    HA   ILE 145           HA       ILE 145 132.726  -7.791  -7.791
 1072    HB   ILE 145           HB       ILE 145 132.583  -8.679  -8.679
 1073   1HG1  ILE 145          2HG1      ILE 145 135.309  -7.662  -7.662
 1074   2HG1  ILE 145          1HG1      ILE 145 134.359  -6.705  -6.705
 1075   1HG2  ILE 145          3HG2      ILE 145 134.301 -10.627 -10.627
 1076   2HG2  ILE 145          2HG2      ILE 145 135.379  -9.617  -9.617
 1077   3HG2  ILE 145          1HG2      ILE 145 133.935 -10.316 -10.316
 1078   1HD1  ILE 145          2HD1      ILE 145 132.970  -7.450  -7.450
 1079   2HD1  ILE 145          1HD1      ILE 145 134.306  -6.315  -6.315
 1080   3HD1  ILE 145          3HD1      ILE 145 132.956  -5.925  -5.925
 1081    H    ASP 146           H        ASP 146 133.888  -7.582  -7.582
 1082    HA   ASP 146           HA       ASP 146 136.216  -8.860  -8.860
 1083   1HB   ASP 146          2HB       ASP 146 136.607  -6.668  -6.668
 1084   2HB   ASP 146          1HB       ASP 146 134.994  -7.354  -7.354
 1085    H    ALA 147           H        ALA 147 137.794  -9.224  -9.224
 1086    HA   ALA 147           HA       ALA 147 138.709  -7.521  -7.521
 1087   1HB   ALA 147          1HB       ALA 147 139.314  -9.972  -9.972
 1088   2HB   ALA 147          3HB       ALA 147 140.664  -9.128  -9.128
 1089   3HB   ALA 147          2HB       ALA 147 140.451  -9.056  -9.056
 1090    H    ALA 148           H        ALA 148 139.624  -5.514  -5.514
 1091    HA   ALA 148           HA       ALA 148 140.745  -3.609  -3.609
 1092   1HB   ALA 148          3HB       ALA 148 142.245  -6.015  -6.015
 1093   2HB   ALA 148          2HB       ALA 148 142.521  -4.810  -4.810
 1094   3HB   ALA 148          1HB       ALA 148 142.850  -4.416  -4.416
 1095    H    GLU 149           H        GLU 149 141.642  -2.829  -2.829
 1096    HA   GLU 149           HA       GLU 149 139.216  -2.603  -2.603
 1097   1HB   GLU 149          2HB       GLU 149 140.911  -0.809  -0.809
 1098   2HB   GLU 149          1HB       GLU 149 142.088  -1.775  -1.775
 1099   1HG   GLU 149          2HG       GLU 149 141.011  -1.467  -1.467
 1100   2HG   GLU 149          1HG       GLU 149 139.446  -1.173  -1.173
 1101    H    GLY 150           H        GLY 150 139.009  -3.336  -3.336
 1102   1HA   GLY 150          2HA       GLY 150 139.380  -4.781  -4.781
 1103   2HA   GLY 150          1HA       GLY 150 140.992  -5.098  -5.098
 1104    HA   PRO 151           HA       PRO 151 137.731  -8.245  -8.245
 1105   1HB   PRO 151          2HB       PRO 151 136.411  -9.393  -9.393
 1106   2HB   PRO 151          1HB       PRO 151 135.766  -8.008  -8.008
 1107   1HG   PRO 151          2HG       PRO 151 137.158  -8.068  -8.068
 1108   2HG   PRO 151          1HG       PRO 151 135.779  -7.089  -7.089
 1109   1HD   PRO 151          2HD       PRO 151 138.324  -6.130  -6.130
 1110   2HD   PRO 151          1HD       PRO 151 137.112  -5.510  -5.510
 1111    H    SER 152           H        SER 152 138.501 -10.376 -10.376
 1112    HA   SER 152           HA       SER 152 139.950 -12.204 -12.204
 1113   1HB   SER 152          2HB       SER 152 139.271 -11.417 -11.417
 1114   2HB   SER 152          1HB       SER 152 139.999 -12.950 -12.950
 1115    HG   SER 152           HG       SER 152 137.416 -11.961 -11.961
 1116    H    ASP 153           H        ASP 153 140.994  -9.255  -9.255
 1117    HA   ASP 153           HA       ASP 153 143.070  -8.193  -8.193
 1118   1HB   ASP 153          2HB       ASP 153 143.899 -11.111 -11.111
 1119   2HB   ASP 153          1HB       ASP 153 144.978  -9.734  -9.734
 1120    H    ILE 154           H        ILE 154 145.274  -8.764  -8.764
 1121    HA   ILE 154           HA       ILE 154 144.234  -9.351  -9.351
 1122    HB   ILE 154           HB       ILE 154 144.669  -6.989  -6.989
 1123   1HG1  ILE 154          2HG1      ILE 154 147.255  -7.623  -7.623
 1124   2HG1  ILE 154          1HG1      ILE 154 145.888  -8.527  -8.527
 1125   1HG2  ILE 154          2HG2      ILE 154 146.958  -8.004  -8.004
 1126   2HG2  ILE 154          1HG2      ILE 154 147.324  -6.607  -6.607
 1127   3HG2  ILE 154          3HG2      ILE 154 146.036  -6.514  -6.514
 1128   1HD1  ILE 154          2HD1      ILE 154 144.684  -6.206  -6.206
 1129   2HD1  ILE 154          1HD1      ILE 154 146.319  -5.550  -5.550
 1130   3HD1  ILE 154          3HD1      ILE 154 145.853  -6.572  -6.572
 1131    HA   PRO 155           HA       PRO 155 147.536 -12.407 -12.407
 1132   1HB   PRO 155          2HB       PRO 155 146.441 -14.383 -14.383
 1133   2HB   PRO 155          1HB       PRO 155 145.958 -14.093 -14.093
 1134   1HG   PRO 155          2HG       PRO 155 144.612 -13.259 -13.259
 1135   2HG   PRO 155          1HG       PRO 155 143.907 -13.870 -13.870
 1136   1HD   PRO 155          2HD       PRO 155 143.924 -11.239 -11.239
 1137   2HD   PRO 155          1HD       PRO 155 143.975 -11.816 -11.816
 1138    H    ASP 156           HN       ASP 156 149.373 -12.266 -12.266
 1139    HA   ASP 156           HA       ASP 156 150.800 -12.052 -12.052
 1140   1HB   ASP 156          2HB       ASP 156 148.394 -13.078 -13.078
 1141   2HB   ASP 156          1HB       ASP 156 150.096 -13.281 -13.281

  Start of MODEL   13
    1   1H    MET   1          1H        MET   1 129.713  13.844  13.844
    2   2H    MET   1          3H        MET   1 129.194  12.282  12.282
    3   3H    MET   1          2H        MET   1 130.333  12.499  12.499
    4    HA   MET   1           HA       MET   1 128.783  12.928  12.928
    5   1HB   MET   1          2HB       MET   1 128.036  11.014  11.014
    6   2HB   MET   1          1HB       MET   1 126.685  12.121  12.121
    7   1HG   MET   1          2HG       MET   1 127.593  11.233  11.233
    8   2HG   MET   1          1HG       MET   1 126.356  10.376  10.376
    9   1HE   MET   1          3HE       MET   1 125.764  10.830  10.830
   10   2HE   MET   1          2HE       MET   1 124.106  11.393  11.393
   11   3HE   MET   1          1HE       MET   1 125.273  12.382  12.382
   12    H    GLU   2           H        GLU   2 129.089  15.359  15.359
   13    HA   GLU   2           HA       GLU   2 128.132  17.518  17.518
   14   1HB   GLU   2          2HB       GLU   2 126.218  15.682  15.682
   15   2HB   GLU   2          1HB       GLU   2 125.391  16.577  16.577
   16   1HG   GLU   2          2HG       GLU   2 126.487  18.665  18.665
   17   2HG   GLU   2          1HG       GLU   2 126.495  17.567  17.567
   18    HA   PRO   3           HA       PRO   3 127.502  16.853  16.853
   19   1HB   PRO   3          2HB       PRO   3 129.891  17.868  17.868
   20   2HB   PRO   3          1HB       PRO   3 129.658  16.155  16.155
   21   1HG   PRO   3          2HG       PRO   3 130.937  18.315  18.315
   22   2HG   PRO   3          1HG       PRO   3 131.358  16.599  16.599
   23   1HD   PRO   3          2HD       PRO   3 129.993  17.720  17.720
   24   2HD   PRO   3          1HD       PRO   3 129.922  16.002  16.002
   25    H    ALA   4           H        ALA   4 127.657  18.711  18.711
   26    HA   ALA   4           HA       ALA   4 127.706  21.424  21.424
   27   1HB   ALA   4          2HB       ALA   4 125.393  20.077  20.077
   28   2HB   ALA   4          1HB       ALA   4 125.387  20.680  20.680
   29   3HB   ALA   4          3HB       ALA   4 125.453  21.812  21.812
   30    H    ALA   5           H        ALA   5 128.019  23.091  23.091
   31    HA   ALA   5           HA       ALA   5 129.116  22.086  22.086
   32   1HB   ALA   5          3HB       ALA   5 129.277  24.704  24.704
   33   2HB   ALA   5          2HB       ALA   5 130.048  24.436  24.436
   34   3HB   ALA   5          1HB       ALA   5 130.546  23.491  23.491
   35    H    GLY   6           H        GLY   6 126.238  22.135  22.135
   36   1HA   GLY   6          2HA       GLY   6 125.575  24.262  24.262
   37   2HA   GLY   6          1HA       GLY   6 124.473  23.868  23.868
   38    H    SER   7           H        SER   7 123.425  21.782  21.782
   39    HA   SER   7           HA       SER   7 122.756  20.840  20.840
   40   1HB   SER   7          2HB       SER   7 121.095  19.641  19.641
   41   2HB   SER   7          1HB       SER   7 121.388  20.998  20.998
   42    HG   SER   7           HG       SER   7 121.540  19.258  19.258
   43    H    SER   8           H        SER   8 125.433  20.455  20.455
   44    HA   SER   8           HA       SER   8 125.860  17.559  17.559
   45   1HB   SER   8          2HB       SER   8 127.413  18.864  18.864
   46   2HB   SER   8          1HB       SER   8 127.591  20.025  20.025
   47    HG   SER   8           HG       SER   8 128.928  17.705  17.705
   48    H    MET   9           H        MET   9 125.607  19.876  19.876
   49    HA   MET   9           HA       MET   9 127.025  18.132  18.132
   50   1HB   MET   9          2HB       MET   9 126.407  20.970  20.970
   51   2HB   MET   9          1HB       MET   9 126.056  20.424  20.424
   52   1HG   MET   9          2HG       MET   9 128.612  19.415  19.415
   53   2HG   MET   9          1HG       MET   9 128.547  21.169  21.169
   54   1HE   MET   9          1HE       MET   9 128.611  22.403  22.403
   55   2HE   MET   9          3HE       MET   9 127.801  22.208  22.208
   56   3HE   MET   9          2HE       MET   9 129.544  21.986  21.986
   57    H    GLU  10           H        GLU  10 123.854  18.723  18.723
   58    HA   GLU  10           HA       GLU  10 122.598  18.000  18.000
   59   1HB   GLU  10          2HB       GLU  10 121.497  18.989  18.989
   60   2HB   GLU  10          1HB       GLU  10 120.534  18.726  18.726
   61   1HG   GLU  10          2HG       GLU  10 122.275  20.296  20.296
   62   2HG   GLU  10          1HG       GLU  10 122.661  20.795  20.795
   63    HA   PRO  11           HA       PRO  11 122.192  13.860  13.860
   64   1HB   PRO  11          2HB       PRO  11 120.641  12.876  12.876
   65   2HB   PRO  11          1HB       PRO  11 122.389  13.142  13.142
   66   1HG   PRO  11          2HG       PRO  11 120.126  14.830  14.830
   67   2HG   PRO  11          1HG       PRO  11 121.659  14.448  14.448
   68   1HD   PRO  11          2HD       PRO  11 121.179  16.805  16.805
   69   2HD   PRO  11          1HD       PRO  11 122.799  16.088  16.088
   70    H    SER  12           H        SER  12 120.728  15.198  15.198
   71    HA   SER  12           HA       SER  12 117.908  15.398  15.398
   72   1HB   SER  12          2HB       SER  12 119.920  15.660  15.660
   73   2HB   SER  12          1HB       SER  12 118.519  14.821  14.821
   74    HG   SER  12           HG       SER  12 118.607  17.330  17.330
   75    H    ALA  13           H        ALA  13 116.550  14.002  14.002
   76    HA   ALA  13           HA       ALA  13 115.593  11.908  11.908
   77   1HB   ALA  13          1HB       ALA  13 118.167  11.686  11.686
   78   2HB   ALA  13          3HB       ALA  13 118.168  10.589  10.589
   79   3HB   ALA  13          2HB       ALA  13 117.127  10.262  10.262
   80    H    ASP  14           H        ASP  14 116.138  12.939  12.939
   81    HA   ASP  14           HA       ASP  14 115.850  10.387  10.387
   82   1HB   ASP  14          2HB       ASP  14 115.943  11.895  11.895
   83   2HB   ASP  14          1HB       ASP  14 117.266  12.230  12.230
   84    H    TRP  15           H        TRP  15 113.741  11.520  11.520
   85    HA   TRP  15           HA       TRP  15 111.503  12.445  12.445
   86   1HB   TRP  15          2HB       TRP  15 111.708  11.026  11.026
   87   2HB   TRP  15          1HB       TRP  15 110.280  11.876  11.876
   88    HD1  TRP  15           HD1      TRP  15 113.350  13.665  13.665
   89    HE1  TRP  15           HE1      TRP  15 113.771  15.705  15.705
   90    HE3  TRP  15           HE3      TRP  15 110.037  12.683  12.683
   91    HZ2  TRP  15           HZ2      TRP  15 112.831  16.789  16.789
   92    HZ3  TRP  15           HZ3      TRP  15 109.821  14.241  14.241
   93    HH2  TRP  15           HH2      TRP  15 111.212  16.291  16.291
   94    H    LEU  16           H        LEU  16 112.797   9.265   9.265
   95    HA   LEU  16           HA       LEU  16 110.496   7.668   7.668
   96   1HB   LEU  16          2HB       LEU  16 112.229   5.896   5.896
   97   2HB   LEU  16          1HB       LEU  16 112.486   6.825   6.825
   98    HG   LEU  16           HG       LEU  16 113.977   8.317   8.317
   99   1HD1  LEU  16          2HD1      LEU  16 113.237   6.327   6.327
  100   2HD1  LEU  16          1HD1      LEU  16 114.777   5.715   5.715
  101   3HD1  LEU  16          3HD1      LEU  16 114.696   7.300   7.300
  102   1HD2  LEU  16          2HD2      LEU  16 114.460   6.056   6.056
  103   2HD2  LEU  16          1HD2      LEU  16 115.341   7.576   7.576
  104   3HD2  LEU  16          3HD2      LEU  16 115.727   6.228   6.228
  105    H    ALA  17           H        ALA  17 113.100   8.987   8.987
  106    HA   ALA  17           HA       ALA  17 112.179   7.683   7.683
  107   1HB   ALA  17          3HB       ALA  17 114.376   9.296   9.296
  108   2HB   ALA  17          2HB       ALA  17 113.800   9.932   9.932
  109   3HB   ALA  17          1HB       ALA  17 114.318   8.252   8.252
  110    H    THR  18           H        THR  18 111.931  10.969  10.969
  111    HA   THR  18           HA       THR  18 110.609  12.225  12.225
  112    HB   THR  18           HB       THR  18 109.646  13.340  13.340
  113    HG1  THR  18           HG1      THR  18 112.356  12.922  12.922
  114   1HG2  THR  18          1HG2      THR  18 110.680  14.399  14.399
  115   2HG2  THR  18          3HG2      THR  18 112.249  14.049  14.049
  116   3HG2  THR  18          2HG2      THR  18 111.120  15.129  15.129
  117    H    ALA  19           H        ALA  19 109.289  10.427  10.427
  118    HA   ALA  19           HA       ALA  19 106.514  10.902  10.902
  119   1HB   ALA  19          1HB       ALA  19 107.888   8.755   8.755
  120   2HB   ALA  19          3HB       ALA  19 106.157   9.090   9.090
  121   3HB   ALA  19          2HB       ALA  19 107.294  10.303  10.303
  122    H    ALA  20           H        ALA  20 108.870   8.362   8.362
  123    HA   ALA  20           HA       ALA  20 107.031   6.520   6.520
  124   1HB   ALA  20          3HB       ALA  20 109.642   6.517   6.517
  125   2HB   ALA  20          2HB       ALA  20 109.827   6.734   6.734
  126   3HB   ALA  20          1HB       ALA  20 108.961   5.335   5.335
  127    H    ALA  21           H        ALA  21 109.135   9.093   9.093
  128    HA   ALA  21           HA       ALA  21 108.515   8.742   8.742
  129   1HB   ALA  21          3HB       ALA  21 109.187  11.231  11.231
  130   2HB   ALA  21          2HB       ALA  21 109.306  11.105  11.105
  131   3HB   ALA  21          1HB       ALA  21 110.352  10.125  10.125
  132    H    ARG  22           H        ARG  22 106.752  10.327  10.327
  133    HA   ARG  22           HA       ARG  22 104.800  11.563  11.563
  134   1HB   ARG  22          2HB       ARG  22 105.730  12.532  12.532
  135   2HB   ARG  22          1HB       ARG  22 104.751  11.331  11.331
  136   1HG   ARG  22          2HG       ARG  22 102.740  12.237  12.237
  137   2HG   ARG  22          1HG       ARG  22 103.773  13.551  13.551
  138   1HD   ARG  22          2HD       ARG  22 104.256  13.473  13.473
  139   2HD   ARG  22          1HD       ARG  22 102.509  13.202  13.202
  140    HE   ARG  22           HE       ARG  22 102.825  15.228  15.228
  141   1HH1  ARG  22          2HH1      ARG  22 102.552  15.094  15.094
  142   2HH1  ARG  22          1HH1      ARG  22 103.321  16.608  16.608
  143   1HH2  ARG  22          1HH2      ARG  22 104.503  17.042  17.042
  144   2HH2  ARG  22          2HH2      ARG  22 104.421  17.712  17.712
  145    H    GLY  23           H        GLY  23 105.234   8.472   8.472
  146   1HA   GLY  23          2HA       GLY  23 103.871   6.585   6.585
  147   2HA   GLY  23          1HA       GLY  23 102.634   7.607   7.607
  148    H    ARG  24           H        ARG  24 104.257   7.714   7.714
  149    HA   ARG  24           HA       ARG  24 101.529   7.598   7.598
  150   1HB   ARG  24          2HB       ARG  24 103.290   9.720   9.720
  151   2HB   ARG  24          1HB       ARG  24 103.679   8.980   8.980
  152   1HG   ARG  24          2HG       ARG  24 101.916  10.611  10.611
  153   2HG   ARG  24          1HG       ARG  24 101.229   8.998   8.998
  154   1HD   ARG  24          2HD       ARG  24 100.608   9.168   9.168
  155   2HD   ARG  24          1HD       ARG  24 100.894  10.907  10.907
  156    HE   ARG  24           HE       ARG  24  98.913  11.010  11.010
  157   1HH1  ARG  24          1HH2      ARG  24  98.339   8.256   8.256
  158   2HH1  ARG  24          2HH2      ARG  24  97.807   7.357   7.357
  159   1HH2  ARG  24          2HH1      ARG  24  98.997   9.659   9.659
  160   2HH2  ARG  24          1HH1      ARG  24  98.186   8.144   8.144
  161    H    VAL  25           H        VAL  25 102.053   5.211   5.211
  162    HA   VAL  25           HA       VAL  25 104.197   4.010   4.010
  163    HB   VAL  25           HB       VAL  25 101.244   3.297   3.297
  164   1HG1  VAL  25          2HG1      VAL  25 103.770   1.710   1.710
  165   2HG1  VAL  25          1HG1      VAL  25 102.224   0.946   0.946
  166   3HG1  VAL  25          3HG1      VAL  25 102.400   1.930   1.930
  167   1HG2  VAL  25          2HG2      VAL  25 103.034   3.509   3.509
  168   2HG2  VAL  25          1HG2      VAL  25 101.410   2.821   2.821
  169   3HG2  VAL  25          3HG2      VAL  25 102.806   1.788   1.788
  170    H    GLU  26           H        GLU  26 101.138   5.246   5.246
  171    HA   GLU  26           HA       GLU  26 101.472   4.575   4.575
  172   1HB   GLU  26          2HB       GLU  26 100.289   6.973   6.973
  173   2HB   GLU  26          1HB       GLU  26 100.132   6.752   6.752
  174   1HG   GLU  26          2HG       GLU  26  99.460   4.290   4.290
  175   2HG   GLU  26          1HG       GLU  26  98.521   5.617   5.617
  176    H    GLU  27           H        GLU  27 102.340   7.756   7.756
  177    HA   GLU  27           HA       GLU  27 103.762   8.786   8.786
  178   1HB   GLU  27          2HB       GLU  27 103.480   9.252   9.252
  179   2HB   GLU  27          1HB       GLU  27 105.057   9.745   9.745
  180   1HG   GLU  27          2HG       GLU  27 102.484  10.540  10.540
  181   2HG   GLU  27          1HG       GLU  27 103.198  11.510  11.510
  182    H    VAL  28           H        VAL  28 104.873   6.666   6.666
  183    HA   VAL  28           HA       VAL  28 107.666   6.685   6.685
  184    HB   VAL  28           HB       VAL  28 106.075   4.556   4.556
  185   1HG1  VAL  28          3HG1      VAL  28 108.867   4.928   4.928
  186   2HG1  VAL  28          2HG1      VAL  28 108.642   4.992   4.992
  187   3HG1  VAL  28          1HG1      VAL  28 108.092   3.584   3.584
  188   1HG2  VAL  28          2HG2      VAL  28 106.094   7.195   7.195
  189   2HG2  VAL  28          1HG2      VAL  28 105.980   5.868   5.868
  190   3HG2  VAL  28          3HG2      VAL  28 107.540   6.622   6.622
  191    H    ARG  29           H        ARG  29 105.131   4.167   4.167
  192    HA   ARG  29           HA       ARG  29 106.474   2.287   2.287
  193   1HB   ARG  29          2HB       ARG  29 103.652   3.363   3.363
  194   2HB   ARG  29          1HB       ARG  29 104.210   1.813   1.813
  195   1HG   ARG  29          2HG       ARG  29 104.925   2.131   2.131
  196   2HG   ARG  29          1HG       ARG  29 103.187   2.292   2.292
  197   1HD   ARG  29          2HD       ARG  29 104.831  -0.002  -0.002
  198   2HD   ARG  29          1HD       ARG  29 103.902  -0.089  -0.089
  199    HE   ARG  29           HE       ARG  29 102.765  -0.078  -0.078
  200   1HH1  ARG  29          1HH2      ARG  29 101.534   2.328   2.328
  201   2HH1  ARG  29          2HH2      ARG  29 100.160   1.665   1.665
  202   1HH2  ARG  29          2HH1      ARG  29 101.323  -1.602  -1.602
  203   2HH2  ARG  29          1HH1      ARG  29 100.040  -0.562  -0.562
  204    H    ALA  30           H        ALA  30 104.858   5.253   5.253
  205    HA   ALA  30           HA       ALA  30 105.654   4.812   4.812
  206   1HB   ALA  30          1HB       ALA  30 104.417   7.034   7.034
  207   2HB   ALA  30          3HB       ALA  30 104.841   7.285   7.285
  208   3HB   ALA  30          2HB       ALA  30 103.666   6.046   6.046
  209    H    LEU  31           H        LEU  31 106.849   6.734   6.734
  210    HA   LEU  31           HA       LEU  31 108.814   8.281   8.281
  211   1HB   LEU  31          2HB       LEU  31 108.257   7.356   7.356
  212   2HB   LEU  31          1HB       LEU  31 109.869   7.992   7.992
  213    HG   LEU  31           HG       LEU  31 107.287   9.433   9.433
  214   1HD1  LEU  31          3HD1      LEU  31 108.849   9.218   9.218
  215   2HD1  LEU  31          2HD1      LEU  31 108.722  10.886  10.886
  216   3HD1  LEU  31          1HD1      LEU  31 107.263   9.943   9.943
  217   1HD2  LEU  31          1HD2      LEU  31 110.222  10.071  10.071
  218   2HD2  LEU  31          3HD2      LEU  31 108.939  10.219  10.219
  219   3HD2  LEU  31          2HD2      LEU  31 109.026  11.361  11.361
  220    H    LEU  32           H        LEU  32 109.484   5.501   5.501
  221    HA   LEU  32           HA       LEU  32 112.101   4.908   4.908
  222   1HB   LEU  32          2HB       LEU  32 110.361   3.841   3.841
  223   2HB   LEU  32          1HB       LEU  32 110.010   2.781   2.781
  224    HG   LEU  32           HG       LEU  32 111.644   1.542   1.542
  225   1HD1  LEU  32          1HD1      LEU  32 113.306   3.466   3.466
  226   2HD1  LEU  32          3HD1      LEU  32 113.817   1.872   1.872
  227   3HD1  LEU  32          2HD1      LEU  32 112.492   2.028   2.028
  228   1HD2  LEU  32          2HD2      LEU  32 112.817   4.180   4.180
  229   2HD2  LEU  32          1HD2      LEU  32 112.074   2.941   2.941
  230   3HD2  LEU  32          3HD2      LEU  32 113.638   2.640   2.640
  231    H    GLU  33           H        GLU  33 109.181   3.852   3.852
  232    HA   GLU  33           HA       GLU  33 110.679   2.451   2.451
  233   1HB   GLU  33          2HB       GLU  33 108.131   2.430   2.430
  234   2HB   GLU  33          1HB       GLU  33 107.882   3.210   3.210
  235   1HG   GLU  33          2HG       GLU  33 108.599   1.347   1.347
  236   2HG   GLU  33          1HG       GLU  33 109.560   0.727   0.727
  237    H    ALA  34           H        ALA  34 109.652   5.730   5.730
  238    HA   ALA  34           HA       ALA  34 109.515   6.483   6.483
  239   1HB   ALA  34          3HB       ALA  34 109.546   7.948   7.948
  240   2HB   ALA  34          2HB       ALA  34 109.477   8.801   8.801
  241   3HB   ALA  34          1HB       ALA  34 108.180   7.699   7.699
  242    H    GLY  35           H        GLY  35 112.107   5.880   5.880
  243   1HA   GLY  35          2HA       GLY  35 114.296   6.054   6.054
  244   2HA   GLY  35          1HA       GLY  35 113.868   7.756   7.756
  245    H    ALA  36           H        ALA  36 112.838   6.799   6.799
  246    HA   ALA  36           HA       ALA  36 114.666   8.330   8.330
  247   1HB   ALA  36          3HB       ALA  36 112.424   6.762   6.762
  248   2HB   ALA  36          2HB       ALA  36 113.675   5.925   5.925
  249   3HB   ALA  36          1HB       ALA  36 113.322   7.622   7.622
  250    H    LEU  37           H        LEU  37 116.454   7.644   7.644
  251    HA   LEU  37           HA       LEU  37 118.190   5.642   5.642
  252   1HB   LEU  37          2HB       LEU  37 118.374   7.766   7.766
  253   2HB   LEU  37          1HB       LEU  37 119.651   6.552   6.552
  254    HG   LEU  37           HG       LEU  37 118.711   8.247   8.247
  255   1HD1  LEU  37          3HD1      LEU  37 120.328   8.981   8.981
  256   2HD1  LEU  37          2HD1      LEU  37 121.424   8.734   8.734
  257   3HD1  LEU  37          1HD1      LEU  37 120.091   9.878   9.878
  258   1HD2  LEU  37          1HD2      LEU  37 120.775   6.105   6.105
  259   2HD2  LEU  37          3HD2      LEU  37 119.683   6.360   6.360
  260   3HD2  LEU  37          2HD2      LEU  37 121.098   7.394   7.394
  261    HA   PRO  38           HA       PRO  38 117.271   2.471   2.471
  262   1HB   PRO  38          2HB       PRO  38 119.575   1.003   1.003
  263   2HB   PRO  38          1HB       PRO  38 118.360   1.019   1.019
  264   1HG   PRO  38          2HG       PRO  38 120.977   2.398   2.398
  265   2HG   PRO  38          1HG       PRO  38 120.129   1.733   1.733
  266   1HD   PRO  38          2HD       PRO  38 120.237   4.416   4.416
  267   2HD   PRO  38          1HD       PRO  38 119.028   3.678   3.678
  268    H    ASN  39           H        ASN  39 120.685   3.551   3.551
  269    HA   ASN  39           HA       ASN  39 120.383   3.487   3.487
  270   1HB   ASN  39          2HB       ASN  39 122.809   3.484   3.484
  271   2HB   ASN  39          1HB       ASN  39 122.870   3.376   3.376
  272   1HD2  ASN  39          1HD2      ASN  39 121.280   1.490   1.490
  273   2HD2  ASN  39          2HD2      ASN  39 121.409   0.026   0.026
  274    H    ALA  40           H        ALA  40 119.298   5.667   5.667
  275    HA   ALA  40           HA       ALA  40 121.027   7.911   7.911
  276   1HB   ALA  40          3HB       ALA  40 118.298   7.251   7.251
  277   2HB   ALA  40          2HB       ALA  40 118.348   8.604   8.604
  278   3HB   ALA  40          1HB       ALA  40 119.069   8.764   8.764
  279    HA   PRO  41           HA       PRO  41 121.744   8.623   8.623
  280   1HB   PRO  41          2HB       PRO  41 123.229  10.901  10.901
  281   2HB   PRO  41          1HB       PRO  41 123.888   9.277   9.277
  282   1HG   PRO  41          2HG       PRO  41 122.959  11.308  11.308
  283   2HG   PRO  41          1HG       PRO  41 124.324  10.186  10.186
  284   1HD   PRO  41          2HD       PRO  41 121.944   9.791   9.791
  285   2HD   PRO  41          1HD       PRO  41 123.029   8.474   8.474
  286    H    ASN  42           H        ASN  42 120.896  10.122  10.122
  287    HA   ASN  42           HA       ASN  42 119.077  12.227  12.227
  288   1HB   ASN  42          2HB       ASN  42 118.659  10.683  10.683
  289   2HB   ASN  42          1HB       ASN  42 117.464  11.578  11.578
  290   1HD2  ASN  42          1HD2      ASN  42 118.052  10.575  10.575
  291   2HD2  ASN  42          2HD2      ASN  42 117.679   8.919   8.919
  292    H    SER  43           H        SER  43 118.553  13.916  13.916
  293    HA   SER  43           HA       SER  43 121.098  14.877  14.877
  294   1HB   SER  43          2HB       SER  43 118.649  16.331  16.331
  295   2HB   SER  43          1HB       SER  43 120.057  16.882  16.882
  296    HG   SER  43           HG       SER  43 119.198  15.780  15.780
  297    H    TYR  44           H        TYR  44 118.680  12.794  12.794
  298    HA   TYR  44           HA       TYR  44 118.874  13.642  13.642
  299   1HB   TYR  44          2HB       TYR  44 117.196  11.438  11.438
  300   2HB   TYR  44          1HB       TYR  44 116.917  12.282  12.282
  301    HD1  TYR  44           HD1      TYR  44 117.731  15.078  15.078
  302    HD2  TYR  44           HD2      TYR  44 114.926  11.980  11.980
  303    HE1  TYR  44           HE1      TYR  44 116.330  16.734  16.734
  304    HE2  TYR  44           HE2      TYR  44 113.527  13.641  13.641
  305    HH   TYR  44           HH       TYR  44 113.632  16.774  16.774
  306    H    GLY  45           H        GLY  45 120.492  11.609  11.609
  307   1HA   GLY  45          2HA       GLY  45 121.932   9.795   9.795
  308   2HA   GLY  45          1HA       GLY  45 122.080  10.368  10.368
  309    H    ARG  46           H        ARG  46 118.986   9.421   9.421
  310    HA   ARG  46           HA       ARG  46 119.045   7.006   7.006
  311   1HB   ARG  46          2HB       ARG  46 117.387   9.325   9.325
  312   2HB   ARG  46          1HB       ARG  46 116.390   7.950   7.950
  313   1HG   ARG  46          2HG       ARG  46 117.726   6.824   6.824
  314   2HG   ARG  46          1HG       ARG  46 117.733   8.504   8.504
  315   1HD   ARG  46          2HD       ARG  46 115.121   7.666   7.666
  316   2HD   ARG  46          1HD       ARG  46 115.631   6.746   6.746
  317    HE   ARG  46           HE       ARG  46 116.051   8.966   8.966
  318   1HH1  ARG  46          2HH1      ARG  46 115.197   9.793   9.793
  319   2HH1  ARG  46          1HH1      ARG  46 113.861  10.811  10.811
  320   1HH2  ARG  46          1HH2      ARG  46 113.837   9.840   9.840
  321   2HH2  ARG  46          2HH2      ARG  46 113.086  10.834  10.834
  322    H    ARG  47           H        ARG  47 119.830   6.926   6.926
  323    HA   ARG  47           HA       ARG  47 119.375   5.724   5.724
  324   1HB   ARG  47          2HB       ARG  47 117.538   4.122   4.122
  325   2HB   ARG  47          1HB       ARG  47 118.606   3.537   3.537
  326   1HG   ARG  47          2HG       ARG  47 119.456   4.682   4.682
  327   2HG   ARG  47          1HG       ARG  47 119.587   3.000   3.000
  328   1HD   ARG  47          2HD       ARG  47 121.343   3.447   3.447
  329   2HD   ARG  47          1HD       ARG  47 120.907   5.159   5.159
  330    HE   ARG  47           HE       ARG  47 121.570   4.522   4.522
  331   1HH1  ARG  47          2HH1      ARG  47 123.522   3.742   3.742
  332   2HH1  ARG  47          1HH1      ARG  47 124.747   4.929   4.929
  333   1HH2  ARG  47          1HH2      ARG  47 122.873   6.654   6.654
  334   2HH2  ARG  47          2HH2      ARG  47 124.384   6.572   6.572
  335    HA   PRO  48           HA       PRO  48 115.501   6.840   6.840
  336   1HB   PRO  48          2HB       PRO  48 114.965   4.791   4.791
  337   2HB   PRO  48          1HB       PRO  48 116.264   5.961   5.961
  338   1HG   PRO  48          2HG       PRO  48 116.418   3.175   3.175
  339   2HG   PRO  48          1HG       PRO  48 117.534   4.064   4.064
  340   1HD   PRO  48          2HD       PRO  48 117.925   3.614   3.614
  341   2HD   PRO  48          1HD       PRO  48 118.685   4.926   4.926
  342    H    ILE  49           H        ILE  49 115.702   3.799   3.799
  343    HA   ILE  49           HA       ILE  49 112.723   3.578   3.578
  344    HB   ILE  49           HB       ILE  49 114.988   1.677   1.677
  345   1HG1  ILE  49          2HG1      ILE  49 112.992   1.852   1.852
  346   2HG1  ILE  49          1HG1      ILE  49 114.750   1.922   1.922
  347   1HG2  ILE  49          2HG2      ILE  49 112.383   1.686   1.686
  348   2HG2  ILE  49          1HG2      ILE  49 112.339   0.492   0.492
  349   3HG2  ILE  49          3HG2      ILE  49 113.514   0.336   0.336
  350   1HD1  ILE  49          3HD1      ILE  49 114.879  -0.414  -0.414
  351   2HD1  ILE  49          2HD1      ILE  49 113.117  -0.484  -0.484
  352   3HD1  ILE  49          1HD1      ILE  49 113.953  -0.306  -0.306
  353    H    GLN  50           H        GLN  50 115.585   3.517   3.517
  354    HA   GLN  50           HA       GLN  50 114.344   3.369   3.369
  355   1HB   GLN  50          2HB       GLN  50 116.841   4.186   4.186
  356   2HB   GLN  50          1HB       GLN  50 116.392   5.366   5.366
  357   1HG   GLN  50          2HG       GLN  50 115.763   2.898   2.898
  358   2HG   GLN  50          1HG       GLN  50 117.296   2.619   2.619
  359   1HE2  GLN  50          1HE2      GLN  50 119.187   3.769   3.769
  360   2HE2  GLN  50          2HE2      GLN  50 119.161   4.669   4.669
  361    H    VAL  51           H        VAL  51 114.282   6.053   6.053
  362    HA   VAL  51           HA       VAL  51 113.066   7.858   7.858
  363    HB   VAL  51           HB       VAL  51 114.958   8.574   8.574
  364   1HG1  VAL  51          2HG1      VAL  51 112.874   8.186   8.186
  365   2HG1  VAL  51          1HG1      VAL  51 114.413   9.016   9.016
  366   3HG1  VAL  51          3HG1      VAL  51 114.388   7.298   7.298
  367   1HG2  VAL  51          2HG2      VAL  51 112.398   9.912   9.912
  368   2HG2  VAL  51          1HG2      VAL  51 114.029  10.578  10.578
  369   3HG2  VAL  51          3HG2      VAL  51 113.200  10.475  10.475
  370    H    MET  52           H        MET  52 112.028   5.544   5.544
  371    HA   MET  52           HA       MET  52 109.758   6.915   6.915
  372   1HB   MET  52          2HB       MET  52 109.379   4.831   4.831
  373   2HB   MET  52          1HB       MET  52 111.103   4.737   4.737
  374   1HG   MET  52          2HG       MET  52 110.625   3.489   3.489
  375   2HG   MET  52          1HG       MET  52 108.900   3.598   3.598
  376   1HE   MET  52          3HE       MET  52 109.169   1.366   1.366
  377   2HE   MET  52          2HE       MET  52 108.814   0.174   0.174
  378   3HE   MET  52          1HE       MET  52 110.447   0.297   0.297
  379    H    MET  53           H        MET  53 107.629   6.971   6.971
  380    HA   MET  53           HA       MET  53 107.102   6.804   6.804
  381   1HB   MET  53          2HB       MET  53 105.789   7.581   7.581
  382   2HB   MET  53          1HB       MET  53 104.908   6.110   6.110
  383   1HG   MET  53          2HG       MET  53 104.970   7.174   7.174
  384   2HG   MET  53          1HG       MET  53 105.127   8.670   8.670
  385   1HE   MET  53          1HE       MET  53 103.685   5.343   5.343
  386   2HE   MET  53          3HE       MET  53 101.927   5.521   5.521
  387   3HE   MET  53          2HE       MET  53 102.725   5.547   5.547
  388    H    MET  54           H        MET  54 107.041   4.968   4.968
  389    HA   MET  54           HA       MET  54 107.060   2.327   2.327
  390   1HB   MET  54          2HB       MET  54 107.697   3.570   3.570
  391   2HB   MET  54          1HB       MET  54 106.888   2.015   2.015
  392   1HG   MET  54          2HG       MET  54 109.388   1.820   1.820
  393   2HG   MET  54          1HG       MET  54 108.525   0.913   0.913
  394   1HE   MET  54          1HE       MET  54 110.245   0.607   0.607
  395   2HE   MET  54          3HE       MET  54 111.236   1.821   1.821
  396   3HE   MET  54          2HE       MET  54 111.554   1.409   1.409
  397    H    GLY  55           H        GLY  55 104.667   3.627   3.627
  398   1HA   GLY  55          2HA       GLY  55 102.699   2.001   2.001
  399   2HA   GLY  55          1HA       GLY  55 102.305   3.606   3.606
  400    H    SER  56           H        SER  56 104.385   2.211   2.211
  401    HA   SER  56           HA       SER  56 102.252   0.852   0.852
  402   1HB   SER  56          2HB       SER  56 103.764   3.339   3.339
  403   2HB   SER  56          1HB       SER  56 103.752   2.219   2.219
  404    HG   SER  56           HG       SER  56 101.786   3.800   3.800
  405    H    ALA  57           H        ALA  57 103.379  -1.170  -1.170
  406    HA   ALA  57           HA       ALA  57 106.178  -1.639  -1.639
  407   1HB   ALA  57          1HB       ALA  57 103.704  -3.115  -3.115
  408   2HB   ALA  57          3HB       ALA  57 104.825  -4.022  -4.022
  409   3HB   ALA  57          2HB       ALA  57 105.335  -3.459  -3.459
  410    H    ARG  58           H        ARG  58 103.717  -1.008  -1.008
  411    HA   ARG  58           HA       ARG  58 104.639  -2.592  -2.592
  412   1HB   ARG  58          2HB       ARG  58 102.722  -0.456  -0.456
  413   2HB   ARG  58          1HB       ARG  58 103.343  -0.366  -0.366
  414   1HG   ARG  58          2HG       ARG  58 102.159  -2.176  -2.176
  415   2HG   ARG  58          1HG       ARG  58 102.683  -3.105  -3.105
  416   1HD   ARG  58          2HD       ARG  58 100.449  -2.921  -2.921
  417   2HD   ARG  58          1HD       ARG  58 100.961  -1.332  -1.332
  418    HE   ARG  58           HE       ARG  58 100.300  -1.378  -1.378
  419   1HH1  ARG  58          1HH2      ARG  58 100.035   0.719   0.719
  420   2HH1  ARG  58          2HH2      ARG  58  98.323   0.973   0.973
  421   1HH2  ARG  58          2HH1      ARG  58  97.721  -1.784  -1.784
  422   2HH2  ARG  58          1HH1      ARG  58  97.013  -0.440  -0.440
  423    H    VAL  59           H        VAL  59 105.123   0.850   0.850
  424    HA   VAL  59           HA       VAL  59 106.595   1.791   1.791
  425    HB   VAL  59           HB       VAL  59 107.221   2.247   2.247
  426   1HG1  VAL  59          2HG1      VAL  59 108.153   3.393   3.393
  427   2HG1  VAL  59          1HG1      VAL  59 107.517   4.611   4.611
  428   3HG1  VAL  59          3HG1      VAL  59 108.833   3.553   3.553
  429   1HG2  VAL  59          2HG2      VAL  59 104.803   2.673   2.673
  430   2HG2  VAL  59          1HG2      VAL  59 105.247   3.346   3.346
  431   3HG2  VAL  59          3HG2      VAL  59 105.575   4.255   4.255
  432    H    ALA  60           H        ALA  60 108.214   0.405   0.405
  433    HA   ALA  60           HA       ALA  60 110.808   0.173   0.173
  434   1HB   ALA  60          1HB       ALA  60 109.959  -0.352  -0.352
  435   2HB   ALA  60          3HB       ALA  60 109.349  -1.879  -1.879
  436   3HB   ALA  60          2HB       ALA  60 111.081  -1.551  -1.551
  437    H    GLU  61           H        GLU  61 108.058  -2.054  -2.054
  438    HA   GLU  61           HA       GLU  61 109.262  -4.222  -4.222
  439   1HB   GLU  61          2HB       GLU  61 106.770  -3.536  -3.536
  440   2HB   GLU  61          1HB       GLU  61 106.692  -3.086  -3.086
  441   1HG   GLU  61          2HG       GLU  61 107.798  -5.768  -5.768
  442   2HG   GLU  61          1HG       GLU  61 106.054  -5.526  -5.526
  443    H    LEU  62           H        LEU  62 108.657  -0.974  -0.974
  444    HA   LEU  62           HA       LEU  62 109.317  -1.685  -1.685
  445   1HB   LEU  62          2HB       LEU  62 107.599  -0.106  -0.106
  446   2HB   LEU  62          1HB       LEU  62 108.351   0.683   0.683
  447    HG   LEU  62           HG       LEU  62 110.212   1.370   1.370
  448   1HD1  LEU  62          1HD1      LEU  62 108.655  -0.257  -0.257
  449   2HD1  LEU  62          3HD1      LEU  62 108.680   1.391   1.391
  450   3HD1  LEU  62          2HD1      LEU  62 110.194   0.541   0.541
  451   1HD2  LEU  62          2HD2      LEU  62 107.476   2.393   2.393
  452   2HD2  LEU  62          1HD2      LEU  62 109.009   3.253   3.253
  453   3HD2  LEU  62          3HD2      LEU  62 108.311   2.941   2.941
  454    H    LEU  63           H        LEU  63 110.552   0.537   0.537
  455    HA   LEU  63           HA       LEU  63 112.973   1.285   1.285
  456   1HB   LEU  63          2HB       LEU  63 111.918   1.053   1.053
  457   2HB   LEU  63          1HB       LEU  63 113.645   1.349   1.349
  458    HG   LEU  63           HG       LEU  63 111.552   2.988   2.988
  459   1HD1  LEU  63          3HD1      LEU  63 112.564   3.170   3.170
  460   2HD1  LEU  63          2HD1      LEU  63 112.390   4.676   4.676
  461   3HD1  LEU  63          1HD1      LEU  63 110.993   3.625   3.625
  462   1HD2  LEU  63          1HD2      LEU  63 114.082   2.848   2.848
  463   2HD2  LEU  63          3HD2      LEU  63 113.328   4.436   4.436
  464   3HD2  LEU  63          2HD2      LEU  63 114.335   3.824   3.824
  465    H    LEU  64           H        LEU  64 112.317  -1.447  -1.447
  466    HA   LEU  64           HA       LEU  64 114.999  -2.528  -2.528
  467   1HB   LEU  64          2HB       LEU  64 112.582  -2.946  -2.946
  468   2HB   LEU  64          1HB       LEU  64 112.872  -4.453  -4.453
  469    HG   LEU  64           HG       LEU  64 114.853  -3.046  -3.046
  470   1HD1  LEU  64          2HD1      LEU  64 112.672  -4.627  -4.627
  471   2HD1  LEU  64          1HD1      LEU  64 114.011  -5.774  -5.774
  472   3HD1  LEU  64          3HD1      LEU  64 114.094  -4.347  -4.347
  473   1HD2  LEU  64          2HD2      LEU  64 115.040  -5.301  -5.301
  474   2HD2  LEU  64          1HD2      LEU  64 116.289  -4.181  -4.181
  475   3HD2  LEU  64          3HD2      LEU  64 115.823  -5.546  -5.546
  476    H    LEU  65           H        LEU  65 111.958  -3.180  -3.180
  477    HA   LEU  65           HA       LEU  65 112.710  -5.405  -5.405
  478   1HB   LEU  65          2HB       LEU  65 110.470  -4.775  -4.775
  479   2HB   LEU  65          1HB       LEU  65 110.860  -3.061  -3.061
  480    HG   LEU  65           HG       LEU  65 111.743  -3.486  -3.486
  481   1HD1  LEU  65          1HD1      LEU  65 112.159  -5.912  -5.912
  482   2HD1  LEU  65          3HD1      LEU  65 110.422  -6.184  -6.184
  483   3HD1  LEU  65          2HD1      LEU  65 111.119  -5.596  -5.596
  484   1HD2  LEU  65          3HD2      LEU  65 108.919  -3.771  -3.771
  485   2HD2  LEU  65          2HD2      LEU  65 109.647  -2.583  -2.583
  486   3HD2  LEU  65          1HD2      LEU  65 109.253  -4.196  -4.196
  487    H    HIS  66           H        HIS  66 113.451  -1.978  -1.978
  488    HA   HIS  66           HA       HIS  66 114.810  -2.391  -2.391
  489   1HB   HIS  66          2HB       HIS  66 113.693  -0.268  -0.268
  490   2HB   HIS  66          1HB       HIS  66 115.195   0.175   0.175
  491    HD1  HIS  66           HD1      HIS  66 114.852   1.147   1.147
  492    HD2  HIS  66           HD2      HIS  66 111.876  -1.605  -1.605
  493    HE1  HIS  66           HE1      HIS  66 113.201   1.157   1.157
  494    H    GLY  67           H        GLY  67 115.609  -1.335  -1.335
  495   1HA   GLY  67          2HA       GLY  67 117.803  -2.622  -2.622
  496   2HA   GLY  67          1HA       GLY  67 118.464  -1.643  -1.643
  497    H    ALA  68           H        ALA  68 116.408  -1.122  -1.122
  498    HA   ALA  68           HA       ALA  68 117.390   1.615   1.615
  499   1HB   ALA  68          1HB       ALA  68 115.284  -0.043  -0.043
  500   2HB   ALA  68          3HB       ALA  68 116.185   0.453   0.453
  501   3HB   ALA  68          2HB       ALA  68 115.517   1.670   1.670
  502    H    GLU  69           H        GLU  69 117.731   1.492   1.492
  503    HA   GLU  69           HA       GLU  69 120.368   0.067   0.067
  504   1HB   GLU  69          2HB       GLU  69 119.729   2.795   2.795
  505   2HB   GLU  69          1HB       GLU  69 120.009   2.281   2.281
  506   1HG   GLU  69          2HG       GLU  69 122.201   1.452   1.452
  507   2HG   GLU  69          1HG       GLU  69 121.909   1.621   1.621
  508    HA   PRO  70           HA       PRO  70 117.337  -1.325  -1.325
  509   1HB   PRO  70          2HB       PRO  70 117.149  -3.948  -3.948
  510   2HB   PRO  70          1HB       PRO  70 116.043  -2.688  -2.688
  511   1HG   PRO  70          2HG       PRO  70 118.426  -3.883  -3.883
  512   2HG   PRO  70          1HG       PRO  70 116.849  -3.457  -3.457
  513   1HD   PRO  70          2HD       PRO  70 119.038  -1.903  -1.903
  514   2HD   PRO  70          1HD       PRO  70 117.390  -1.241  -1.241
  515    H    ASN  71           H        ASN  71 120.376  -2.275  -2.275
  516    HA   ASN  71           HA       ASN  71 121.087  -4.021  -4.021
  517   1HB   ASN  71          2HB       ASN  71 121.539  -4.399  -4.399
  518   2HB   ASN  71          1HB       ASN  71 122.833  -3.220  -3.220
  519   1HD2  ASN  71          1HD2      ASN  71 124.754  -4.394  -4.394
  520   2HD2  ASN  71          2HD2      ASN  71 124.973  -5.759  -5.759
  521    H    CYS  72           H        CYS  72 122.760  -1.370  -1.370
  522    HA   CYS  72           HA       CYS  72 124.617  -0.721  -0.721
  523   1HB   CYS  72          2HB       CYS  72 123.732   0.236   0.236
  524   2HB   CYS  72          1HB       CYS  72 123.662   1.623   1.623
  525    HG   CYS  72           HG       CYS  72 126.156   1.625   1.625
  526    H    ALA  73           H        ALA  73 124.640   0.873   0.873
  527    HA   ALA  73           HA       ALA  73 121.969   1.954   1.954
  528   1HB   ALA  73          2HB       ALA  73 124.172   0.692   0.692
  529   2HB   ALA  73          1HB       ALA  73 122.736   1.460   1.460
  530   3HB   ALA  73          3HB       ALA  73 122.579   0.011   0.011
  531    H    ASP  74           H        ASP  74 123.204   3.291   3.291
  532    HA   ASP  74           HA       ASP  74 124.582   5.491   5.491
  533   1HB   ASP  74          2HB       ASP  74 122.514   5.309   5.309
  534   2HB   ASP  74          1HB       ASP  74 123.890   6.028   6.028
  535    HA   PRO  75           HA       PRO  75 128.291   4.195   4.195
  536   1HB   PRO  75          2HB       PRO  75 129.870   6.344   6.344
  537   2HB   PRO  75          1HB       PRO  75 129.471   5.068   5.068
  538   1HG   PRO  75          2HG       PRO  75 128.352   7.801   7.801
  539   2HG   PRO  75          1HG       PRO  75 128.644   6.834   6.834
  540   1HD   PRO  75          2HD       PRO  75 126.176   7.191   7.191
  541   2HD   PRO  75          1HD       PRO  75 126.599   5.842   5.842
  542    H    ALA  76           H        ALA  76 126.292   6.765   6.765
  543    HA   ALA  76           HA       ALA  76 128.039   7.810   7.810
  544   1HB   ALA  76          2HB       ALA  76 125.491   8.472   8.472
  545   2HB   ALA  76          1HB       ALA  76 125.505   8.824   8.824
  546   3HB   ALA  76          3HB       ALA  76 126.715   9.550   9.550
  547    H    THR  77           H        THR  77 125.335   5.599   5.599
  548    HA   THR  77           HA       THR  77 125.740   4.563   4.563
  549    HB   THR  77           HB       THR  77 122.906   4.929   4.929
  550    HG1  THR  77           HG1      THR  77 123.627   7.380   7.380
  551   1HG2  THR  77          2HG2      THR  77 124.558   4.680   4.680
  552   2HG2  THR  77          1HG2      THR  77 124.202   6.407   6.407
  553   3HG2  THR  77          3HG2      THR  77 122.885   5.233   5.233
  554    H    LEU  78           H        LEU  78 125.903   3.747   3.747
  555    HA   LEU  78           HA       LEU  78 125.239   1.969   1.969
  556   1HB   LEU  78          2HB       LEU  78 126.298   1.191   1.191
  557   2HB   LEU  78          1HB       LEU  78 125.156  -0.035  -0.035
  558    HG   LEU  78           HG       LEU  78 127.690   0.899   0.899
  559   1HD1  LEU  78          3HD1      LEU  78 126.462  -1.788  -1.788
  560   2HD1  LEU  78          2HD1      LEU  78 127.958  -1.592  -1.592
  561   3HD1  LEU  78          1HD1      LEU  78 127.865  -1.042  -1.042
  562   1HD2  LEU  78          3HD2      LEU  78 125.182  -0.103  -0.103
  563   2HD2  LEU  78          2HD2      LEU  78 126.412   0.986   0.986
  564   3HD2  LEU  78          1HD2      LEU  78 126.711  -0.752  -0.752
  565    H    THR  79           H        THR  79 122.909   3.408   3.408
  566    HA   THR  79           HA       THR  79 120.941   1.496   1.496
  567    HB   THR  79           HB       THR  79 120.590   4.160   4.160
  568    HG1  THR  79           HG1      THR  79 120.849   3.574   3.574
  569   1HG2  THR  79          2HG2      THR  79 118.664   2.373   2.373
  570   2HG2  THR  79          1HG2      THR  79 118.781   3.208   3.208
  571   3HG2  THR  79          3HG2      THR  79 118.405   4.115   4.115
  572    H    ARG  80           H        ARG  80 120.722  -0.267  -0.267
  573    HA   ARG  80           HA       ARG  80 120.673  -0.040  -0.040
  574   1HB   ARG  80          2HB       ARG  80 120.707  -2.021  -2.021
  575   2HB   ARG  80          1HB       ARG  80 119.255  -2.330  -2.330
  576   1HG   ARG  80          2HG       ARG  80 120.686  -3.426  -3.426
  577   2HG   ARG  80          1HG       ARG  80 121.062  -1.806  -1.806
  578   1HD   ARG  80          2HD       ARG  80 122.697  -2.006  -2.006
  579   2HD   ARG  80          1HD       ARG  80 122.742  -3.651  -3.651
  580    HE   ARG  80           HE       ARG  80 122.981  -1.528  -1.528
  581   1HH1  ARG  80          1HH2      ARG  80 124.155  -4.477  -4.477
  582   2HH1  ARG  80          2HH2      ARG  80 125.828  -4.123  -4.123
  583   1HH2  ARG  80          2HH1      ARG  80 125.331  -0.709  -0.709
  584   2HH2  ARG  80          1HH1      ARG  80 126.491  -1.995  -1.995
  585    HA   PRO  81           HA       PRO  81 116.455   1.057   1.057
  586   1HB   PRO  81          2HB       PRO  81 115.701  -0.537  -0.537
  587   2HB   PRO  81          1HB       PRO  81 116.796   0.849   0.849
  588   1HG   PRO  81          2HG       PRO  81 117.420  -2.051  -2.051
  589   2HG   PRO  81          1HG       PRO  81 118.174  -0.781  -0.781
  590   1HD   PRO  81          2HD       PRO  81 119.257  -1.802  -1.802
  591   2HD   PRO  81          1HD       PRO  81 119.604  -0.173  -0.173
  592    H    VAL  82           H        VAL  82 117.273  -2.254  -2.254
  593    HA   VAL  82           HA       VAL  82 114.763  -3.530  -3.530
  594    HB   VAL  82           HB       VAL  82 117.204  -3.743  -3.743
  595   1HG1  VAL  82          2HG1      VAL  82 115.013  -4.951  -4.951
  596   2HG1  VAL  82          1HG1      VAL  82 115.309  -5.954  -5.954
  597   3HG1  VAL  82          3HG1      VAL  82 116.478  -5.929  -5.929
  598   1HG2  VAL  82          2HG2      VAL  82 116.900  -4.194  -4.194
  599   2HG2  VAL  82          1HG2      VAL  82 118.321  -4.473  -4.473
  600   3HG2  VAL  82          3HG2      VAL  82 117.127  -5.753  -5.753
  601    H    HIS  83           H        HIS  83 116.358  -1.210  -1.210
  602    HA   HIS  83           HA       HIS  83 114.601  -1.554  -1.554
  603   1HB   HIS  83          2HB       HIS  83 116.386   0.725   0.725
  604   2HB   HIS  83          1HB       HIS  83 115.678   0.592   0.592
  605    HD2  HIS  83           HD2      HIS  83 117.366  -0.759  -0.759
  606    HE1  HIS  83           HE1      HIS  83 119.453  -3.060  -3.060
  607    HE2  HIS  83           HE2      HIS  83 119.251  -2.480  -2.480
  608    H    ASP  84           H        ASP  84 114.743   0.696   0.696
  609    HA   ASP  84           HA       ASP  84 112.661   2.470   2.470
  610   1HB   ASP  84          2HB       ASP  84 114.314   2.111   2.111
  611   2HB   ASP  84          1HB       ASP  84 112.943   1.249   1.249
  612    H    ALA  85           H        ALA  85 112.390  -0.742  -0.742
  613    HA   ALA  85           HA       ALA  85 109.558  -0.772  -0.772
  614   1HB   ALA  85          2HB       ALA  85 111.650  -2.917  -2.917
  615   2HB   ALA  85          1HB       ALA  85 109.983  -3.289  -3.289
  616   3HB   ALA  85          3HB       ALA  85 111.008  -2.371  -2.371
  617    H    ALA  86           H        ALA  86 111.291  -2.694  -2.694
  618    HA   ALA  86           HA       ALA  86 109.037  -3.168  -3.168
  619   1HB   ALA  86          2HB       ALA  86 111.790  -3.745  -3.745
  620   2HB   ALA  86          1HB       ALA  86 111.529  -2.977  -2.977
  621   3HB   ALA  86          3HB       ALA  86 110.610  -4.416  -4.416
  622    H    ARG  87           H        ARG  87 111.461  -0.547  -0.547
  623    HA   ARG  87           HA       ARG  87 110.838   0.667   0.667
  624   1HB   ARG  87          2HB       ARG  87 112.577   1.453   1.453
  625   2HB   ARG  87          1HB       ARG  87 111.401   1.863   1.863
  626   1HG   ARG  87          2HG       ARG  87 112.274   3.826   3.826
  627   2HG   ARG  87          1HG       ARG  87 110.519   3.673   3.673
  628   1HD   ARG  87          2HD       ARG  87 110.408   2.838   2.838
  629   2HD   ARG  87          1HD       ARG  87 1