*HEADER    ATPASE INHIBITOR                        29-NOV-00   1HF9
*TITLE     C-TERMINAL COILED-COIL DOMAIN FROM BOVINE IF1
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: ATPASE INHIBITOR (MITOCHONDRIAL);
*COMPND   3 SYNONYM: IF1;
*COMPND   4 CHAIN: A, B;
*COMPND   5 FRAGMENT: C-TERMINAL DOMAIN (44-84);
*COMPND   6 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;
*SOURCE   3 ORGANISM_COMMON: COW;
*SOURCE   4 ORGAN: HEART;
*SOURCE   5 ORGANELLE: MITOCHONDRIA;
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   8 EXPRESSION_SYSTEM_VARIANT: C41(DE3);
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PET;
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PMW172
*KEYWDS    F1 ATPASE INHIBITOR, MITOCHONDRION, TRANSIT PEPTIDE
*EXPDTA    NMR, 35 STRUCTURES
*AUTHOR    D.J.GORDON-SMITH,R.J.CARBAJO,J.-C.YANG,H.VIDELER,
*AUTHOR   2 M.J.RUNSWICK,J.E.WALKER,D.NEUHAUS




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1 -32.748  -9.672   4.817
    2    H2   ALA   1           H2       ALA   1 -32.038  -9.043   6.247
    3    H3   ALA   1           H3       ALA   1 -32.472  -7.985   4.971
    4    HA   ALA   1           HA       ALA   1 -30.153  -8.297   4.970
    5   1HB   ALA   1          1HB       ALA   1 -29.172 -10.512   4.655
    6   2HB   ALA   1          2HB       ALA   1 -30.777 -11.238   4.742
    7   3HB   ALA   1          3HB       ALA   1 -30.098 -10.428   6.154
    8    H    LEU   2           H        LEU   2 -31.004  -7.057   3.143
    9    HA   LEU   2           HA       LEU   2 -31.028  -8.630   0.651
   10   1HB   LEU   2          1HB       LEU   2 -33.027  -7.032   1.558
   11   2HB   LEU   2          2HB       LEU   2 -32.114  -5.889   0.591
   12    HG   LEU   2           HG       LEU   2 -32.266  -7.849  -1.203
   13   1HD1  LEU   2          1HD1      LEU   2 -33.724  -8.998   0.774
   14   2HD1  LEU   2          2HD1      LEU   2 -34.987  -8.208  -0.169
   15   3HD1  LEU   2          3HD1      LEU   2 -33.901  -9.362  -0.943
   16   1HD2  LEU   2          1HD2      LEU   2 -33.983  -5.550  -0.536
   17   2HD2  LEU   2          2HD2      LEU   2 -33.119  -5.931  -2.026
   18   3HD2  LEU   2          3HD2      LEU   2 -34.662  -6.711  -1.677
   19    H    LYS   3           H        LYS   3 -30.193  -5.413   1.940
   20    HA   LYS   3           HA       LYS   3 -27.915  -5.370   0.071
   21   1HB   LYS   3          1HB       LYS   3 -30.051  -3.432   0.475
   22   2HB   LYS   3          2HB       LYS   3 -28.458  -2.713   0.675
   23   1HG   LYS   3          1HG       LYS   3 -28.257  -2.580  -1.521
   24   2HG   LYS   3          2HG       LYS   3 -28.358  -4.338  -1.633
   25   1HD   LYS   3          1HD       LYS   3 -30.046  -3.176  -3.023
   26   2HD   LYS   3          2HD       LYS   3 -30.761  -4.235  -1.807
   27   1HE   LYS   3          1HE       LYS   3 -31.735  -2.528  -0.720
   28   2HE   LYS   3          2HE       LYS   3 -30.329  -1.481  -0.906
   29   1HZ   LYS   3          1HZ       LYS   3 -32.282  -2.056  -3.067
   30   2HZ   LYS   3          2HZ       LYS   3 -32.324  -0.678  -2.087
   31   3HZ   LYS   3          3HZ       LYS   3 -31.010  -0.942  -3.121
   32    H    LYS   4           H        LYS   4 -28.161  -6.251   2.907
   33    HA   LYS   4           HA       LYS   4 -26.690  -4.245   4.398
   34   1HB   LYS   4          1HB       LYS   4 -26.879  -5.744   6.276
   35   2HB   LYS   4          2HB       LYS   4 -28.440  -5.648   5.473
   36   1HG   LYS   4          1HG       LYS   4 -28.351  -7.887   5.726
   37   2HG   LYS   4          2HG       LYS   4 -27.456  -7.781   4.209
   38   1HD   LYS   4          1HD       LYS   4 -25.355  -7.868   5.384
   39   2HD   LYS   4          2HD       LYS   4 -26.181  -7.795   6.942
   40   1HE   LYS   4          1HE       LYS   4 -27.380  -9.943   6.122
   41   2HE   LYS   4          2HE       LYS   4 -26.047 -10.046   4.973
   42   1HZ   LYS   4          1HZ       LYS   4 -25.104  -9.534   7.607
   43   2HZ   LYS   4          2HZ       LYS   4 -26.051 -10.935   7.571
   44   3HZ   LYS   4          3HZ       LYS   4 -24.706 -10.796   6.554
   45    H    HIS   5           H        HIS   5 -26.055  -7.108   2.560
   46    HA   HIS   5           HA       HIS   5 -23.566  -7.831   3.651
   47   1HB   HIS   5          1HB       HIS   5 -23.194  -8.859   1.339
   48   2HB   HIS   5          2HB       HIS   5 -24.598  -9.419   2.241
   49    HD1  HIS   5           HD1      HIS   5 -26.520  -9.710   0.732
   50    HD2  HIS   5           HD2      HIS   5 -24.172  -6.470  -0.388
   51    HE1  HIS   5           HE1      HIS   5 -27.653  -8.724  -1.285
   52    HE2  HIS   5           HE2      HIS   5 -26.215  -6.763  -1.946
   53    H    HIS   6           H        HIS   6 -24.503  -5.324   1.431
   54    HA   HIS   6           HA       HIS   6 -22.027  -4.792   0.234
   55   1HB   HIS   6          1HB       HIS   6 -24.613  -3.548   0.369
   56   2HB   HIS   6          2HB       HIS   6 -23.366  -2.324   0.579
   57    HD1  HIS   6           HD1      HIS   6 -22.585  -5.235  -1.594
   58    HD2  HIS   6           HD2      HIS   6 -23.950  -1.332  -2.007
   59    HE1  HIS   6           HE1      HIS   6 -22.388  -4.710  -4.045
   60    HE2  HIS   6           HE2      HIS   6 -23.220  -2.342  -4.273
   61    H    GLU   7           H        GLU   7 -23.406  -3.728   3.298
   62    HA   GLU   7           HA       GLU   7 -21.431  -1.816   3.930
   63   1HB   GLU   7          1HB       GLU   7 -23.552  -3.270   5.405
   64   2HB   GLU   7          2HB       GLU   7 -22.238  -2.616   6.373
   65   1HG   GLU   7          1HG       GLU   7 -22.667  -0.406   5.233
   66   2HG   GLU   7          2HG       GLU   7 -24.142  -1.129   4.593
   67    H    ASN   8           H        ASN   8 -21.496  -5.272   4.089
   68    HA   ASN   8           HA       ASN   8 -19.362  -5.582   5.958
   69   1HB   ASN   8          1HB       ASN   8 -21.191  -7.280   4.674
   70   2HB   ASN   8          2HB       ASN   8 -19.604  -7.801   4.115
   71   2HD2  ASN   8          2HD2      ASN   8 -20.610  -9.688   5.411
   72   1HD2  ASN   8          1HD2      ASN   8 -20.114  -9.786   7.063
   73    H    GLU   9           H        GLU   9 -19.537  -6.007   2.418
   74    HA   GLU   9           HA       GLU   9 -16.767  -6.353   2.045
   75   1HB   GLU   9          1HB       GLU   9 -19.113  -6.140   0.399
   76   2HB   GLU   9          2HB       GLU   9 -17.831  -5.147  -0.282
   77   1HG   GLU   9          1HG       GLU   9 -16.362  -7.251   0.056
   78   2HG   GLU   9          2HG       GLU   9 -17.904  -8.099   0.156
   79    H    ILE  10           H        ILE  10 -18.706  -3.549   2.562
   80    HA   ILE  10           HA       ILE  10 -16.891  -1.653   1.450
   81    HB   ILE  10           HB       ILE  10 -19.522  -1.624   2.581
   82   1HG1  ILE  10          1HG1      ILE  10 -18.631   0.899   1.476
   83   2HG1  ILE  10          2HG1      ILE  10 -18.094  -0.463   0.498
   84   1HG2  ILE  10          1HG2      ILE  10 -18.304  -0.639   4.591
   85   2HG2  ILE  10          2HG2      ILE  10 -17.985   0.758   3.563
   86   3HG2  ILE  10          3HG2      ILE  10 -19.645   0.288   3.922
   87   1HD1  ILE  10          1HD1      ILE  10 -20.867  -0.711   1.304
   88   2HD1  ILE  10          2HD1      ILE  10 -20.553   0.761   0.385
   89   3HD1  ILE  10          3HD1      ILE  10 -20.136  -0.810  -0.298
   90    H    SER  11           H        SER  11 -17.565  -2.825   4.729
   91    HA   SER  11           HA       SER  11 -15.734  -1.153   6.063
   92   1HB   SER  11          1HB       SER  11 -16.172  -2.425   7.969
   93   2HB   SER  11          2HB       SER  11 -17.630  -2.678   7.008
   94    HG   SER  11           HG       SER  11 -17.160  -4.711   7.254
   95    H    HIS  12           H        HIS  12 -15.360  -4.188   4.367
   96    HA   HIS  12           HA       HIS  12 -12.764  -4.763   5.390
   97   1HB   HIS  12          1HB       HIS  12 -13.341  -6.747   4.528
   98   2HB   HIS  12          2HB       HIS  12 -14.692  -6.025   3.673
   99    HD1  HIS  12           HD1      HIS  12 -10.960  -6.573   3.148
  100    HD2  HIS  12           HD2      HIS  12 -14.489  -6.212   0.987
  101    HE1  HIS  12           HE1      HIS  12 -10.333  -7.039   0.757
  102    HE2  HIS  12           HE2      HIS  12 -12.486  -6.819  -0.535
  103    H    HIS  13           H        HIS  13 -13.961  -3.210   2.423
  104    HA   HIS  13           HA       HIS  13 -11.437  -2.834   1.224
  105   1HB   HIS  13          1HB       HIS  13 -13.818  -1.002   0.912
  106   2HB   HIS  13          2HB       HIS  13 -12.500  -1.245  -0.226
  107    HD1  HIS  13           HD1      HIS  13 -12.651  -4.450   0.019
  108    HD2  HIS  13           HD2      HIS  13 -15.749  -1.835  -0.882
  109    HE1  HIS  13           HE1      HIS  13 -14.344  -5.824  -1.237
  110    HE2  HIS  13           HE2      HIS  13 -16.214  -4.221  -1.773
  111    H    ALA  14           H        ALA  14 -13.114  -1.165   3.759
  112    HA   ALA  14           HA       ALA  14 -11.660   1.269   3.663
  113   1HB   ALA  14          1HB       ALA  14 -12.471   1.490   6.059
  114   2HB   ALA  14          2HB       ALA  14 -13.715   1.314   4.821
  115   3HB   ALA  14          3HB       ALA  14 -13.269  -0.066   5.825
  116    H    LYS  15           H        LYS  15 -11.389  -1.561   5.814
  117    HA   LYS  15           HA       LYS  15  -8.997  -0.676   7.049
  118   1HB   LYS  15          1HB       LYS  15 -10.318  -3.380   6.856
  119   2HB   LYS  15          2HB       LYS  15  -8.823  -3.121   7.746
  120   1HG   LYS  15          1HG       LYS  15 -10.481  -1.146   8.711
  121   2HG   LYS  15          2HG       LYS  15 -11.563  -2.522   8.490
  122   1HD   LYS  15          1HD       LYS  15  -9.420  -3.727   9.637
  123   2HD   LYS  15          2HD       LYS  15  -9.356  -2.134  10.394
  124   1HE   LYS  15          1HE       LYS  15 -11.737  -3.985  10.344
  125   2HE   LYS  15          2HE       LYS  15 -10.683  -3.688  11.726
  126   1HZ   LYS  15          1HZ       LYS  15 -11.499  -1.202  10.941
  127   2HZ   LYS  15          2HZ       LYS  15 -12.889  -2.150  10.766
  128   3HZ   LYS  15          3HZ       LYS  15 -12.095  -2.077  12.259
  129    H    GLU  16           H        GLU  16  -9.608  -1.969   3.964
  130    HA   GLU  16           HA       GLU  16  -7.024  -3.218   3.651
  131   1HB   GLU  16          1HB       GLU  16  -9.513  -3.046   2.115
  132   2HB   GLU  16          2HB       GLU  16  -8.067  -2.970   1.118
  133   1HG   GLU  16          1HG       GLU  16  -8.562  -5.119   3.159
  134   2HG   GLU  16          2HG       GLU  16  -9.021  -5.256   1.462
  135    H    ILE  17           H        ILE  17  -8.597  -0.188   2.728
  136    HA   ILE  17           HA       ILE  17  -6.366   0.671   1.116
  137    HB   ILE  17           HB       ILE  17  -8.564   1.500   0.560
  138   1HG1  ILE  17          1HG1      ILE  17  -6.451   2.964   0.348
  139   2HG1  ILE  17          2HG1      ILE  17  -8.017   3.746   0.174
  140   1HG2  ILE  17          1HG2      ILE  17  -8.660   2.142   3.428
  141   2HG2  ILE  17          2HG2      ILE  17  -9.378   3.343   2.354
  142   3HG2  ILE  17          3HG2      ILE  17  -9.950   1.675   2.320
  143   1HD1  ILE  17          1HD1      ILE  17  -7.239   3.828   2.916
  144   2HD1  ILE  17          2HD1      ILE  17  -5.916   4.421   1.912
  145   3HD1  ILE  17          3HD1      ILE  17  -7.513   5.160   1.793
  146    H    GLU  18           H        GLU  18  -7.415   1.024   4.426
  147    HA   GLU  18           HA       GLU  18  -5.474   3.064   5.050
  148   1HB   GLU  18          1HB       GLU  18  -7.709   1.765   6.395
  149   2HB   GLU  18          2HB       GLU  18  -6.317   1.950   7.453
  150   1HG   GLU  18          1HG       GLU  18  -6.368   4.402   6.422
  151   2HG   GLU  18          2HG       GLU  18  -8.075   3.997   6.248
  152    H    ARG  19           H        ARG  19  -5.821  -0.422   5.469
  153    HA   ARG  19           HA       ARG  19  -3.411  -0.713   6.987
  154   1HB   ARG  19          1HB       ARG  19  -5.329  -2.316   7.079
  155   2HB   ARG  19          2HB       ARG  19  -4.928  -2.826   5.445
  156   1HG   ARG  19          1HG       ARG  19  -2.721  -3.560   6.231
  157   2HG   ARG  19          2HG       ARG  19  -3.165  -3.088   7.872
  158   1HD   ARG  19          1HD       ARG  19  -3.823  -5.230   8.055
  159   2HD   ARG  19          2HD       ARG  19  -5.264  -4.664   7.212
  160    HE   ARG  19           HE       ARG  19  -3.517  -5.352   5.224
  161   1HH1  ARG  19          1HH1      ARG  19  -4.918  -6.981   7.964
  162   2HH1  ARG  19          2HH1      ARG  19  -4.891  -8.542   7.214
  163   1HH2  ARG  19          1HH2      ARG  19  -3.477  -7.403   4.226
  164   2HH2  ARG  19          2HH2      ARG  19  -4.071  -8.782   5.089
  165    H    LEU  20           H        LEU  20  -4.258  -0.657   3.622
  166    HA   LEU  20           HA       LEU  20  -1.845  -1.860   2.669
  167   1HB   LEU  20          1HB       LEU  20  -4.117  -0.366   1.428
  168   2HB   LEU  20          2HB       LEU  20  -2.643  -0.589   0.508
  169    HG   LEU  20           HG       LEU  20  -4.068  -2.926   1.745
  170   1HD1  LEU  20          1HD1      LEU  20  -5.204  -1.252  -0.168
  171   2HD1  LEU  20          2HD1      LEU  20  -4.563  -2.620  -1.078
  172   3HD1  LEU  20          3HD1      LEU  20  -5.701  -2.893   0.241
  173   1HD2  LEU  20          1HD2      LEU  20  -1.813  -2.489  -0.086
  174   2HD2  LEU  20          2HD2      LEU  20  -2.153  -3.836   1.001
  175   3HD2  LEU  20          3HD2      LEU  20  -2.941  -3.754  -0.575
  176    H    GLN  21           H        GLN  21  -2.999   1.438   3.173
  177    HA   GLN  21           HA       GLN  21  -0.812   2.776   2.013
  178   1HB   GLN  21          1HB       GLN  21  -3.084   3.727   2.745
  179   2HB   GLN  21          2HB       GLN  21  -2.386   3.829   4.355
  180   1HG   GLN  21          1HG       GLN  21  -1.211   5.651   3.852
  181   2HG   GLN  21          2HG       GLN  21  -0.689   4.997   2.300
  182   2HE2  GLN  21          2HE2      GLN  21  -3.872   5.794   3.646
  183   1HE2  GLN  21          1HE2      GLN  21  -4.339   6.856   2.365
  184    H    LYS  22           H        LYS  22  -1.419   1.661   5.322
  185    HA   LYS  22           HA       LYS  22   0.907   2.772   6.471
  186   1HB   LYS  22          1HB       LYS  22  -1.075   1.916   7.737
  187   2HB   LYS  22          2HB       LYS  22  -0.557   0.280   7.354
  188   1HG   LYS  22          1HG       LYS  22   1.708   1.233   8.436
  189   2HG   LYS  22          2HG       LYS  22   0.519   2.202   9.308
  190   1HD   LYS  22          1HD       LYS  22   1.038   0.142  10.516
  191   2HD   LYS  22          2HD       LYS  22  -0.647   0.166   9.992
  192   1HE   LYS  22          1HE       LYS  22  -0.358  -1.541   8.529
  193   2HE   LYS  22          2HE       LYS  22   1.293  -1.065   8.135
  194   1HZ   LYS  22          1HZ       LYS  22   0.833  -2.067  10.830
  195   2HZ   LYS  22          2HZ       LYS  22   0.723  -3.200   9.580
  196   3HZ   LYS  22          3HZ       LYS  22   2.147  -2.313   9.793
  197    H    GLU  23           H        GLU  23   0.263  -0.304   4.882
  198    HA   GLU  23           HA       GLU  23   2.700  -1.566   5.521
  199   1HB   GLU  23          1HB       GLU  23   0.517  -2.543   4.506
  200   2HB   GLU  23          2HB       GLU  23   1.222  -2.087   2.961
  201   1HG   GLU  23          1HG       GLU  23   2.969  -3.601   3.167
  202   2HG   GLU  23          2HG       GLU  23   2.763  -3.748   4.912
  203    H    ILE  24           H        ILE  24   1.753   0.546   2.852
  204    HA   ILE  24           HA       ILE  24   4.099   0.182   1.323
  205    HB   ILE  24           HB       ILE  24   3.328   1.774  -0.120
  206   1HG1  ILE  24          1HG1      ILE  24   1.763   3.704   0.756
  207   2HG1  ILE  24          2HG1      ILE  24   2.518   3.337   2.304
  208   1HG2  ILE  24          1HG2      ILE  24   1.424   0.161   0.821
  209   2HG2  ILE  24          2HG2      ILE  24   0.677   1.718   1.170
  210   3HG2  ILE  24          3HG2      ILE  24   1.151   1.319  -0.478
  211   1HD1  ILE  24          1HD1      ILE  24   4.570   3.514   0.364
  212   2HD1  ILE  24          2HD1      ILE  24   3.513   4.915   0.175
  213   3HD1  ILE  24          3HD1      ILE  24   4.255   4.575   1.739
  214    H    GLU  25           H        GLU  25   3.243   2.444   3.884
  215    HA   GLU  25           HA       GLU  25   5.474   4.122   3.746
  216   1HB   GLU  25          1HB       GLU  25   3.296   4.251   5.198
  217   2HB   GLU  25          2HB       GLU  25   4.258   3.380   6.383
  218   1HG   GLU  25          1HG       GLU  25   5.226   5.256   7.025
  219   2HG   GLU  25          2HG       GLU  25   5.789   5.564   5.383
  220    H    ARG  26           H        ARG  26   4.967   1.098   5.528
  221    HA   ARG  26           HA       ARG  26   7.366   1.019   6.933
  222   1HB   ARG  26          1HB       ARG  26   5.219  -0.647   6.689
  223   2HB   ARG  26          2HB       ARG  26   6.459  -1.567   5.848
  224   1HG   ARG  26          1HG       ARG  26   6.923  -2.353   7.892
  225   2HG   ARG  26          2HG       ARG  26   7.804  -0.835   8.077
  226   1HD   ARG  26          1HD       ARG  26   5.662   0.157   8.971
  227   2HD   ARG  26          2HD       ARG  26   5.017  -1.483   9.013
  228    HE   ARG  26           HE       ARG  26   6.813  -0.311  10.880
  229   1HH1  ARG  26          1HH1      ARG  26   5.998  -3.313   9.315
  230   2HH1  ARG  26          2HH1      ARG  26   6.611  -4.300  10.599
  231   1HH2  ARG  26          1HH2      ARG  26   7.624  -1.600  12.578
  232   2HH2  ARG  26          2HH2      ARG  26   7.535  -3.326  12.455
  233    H    HIS  27           H        HIS  27   6.610  -0.270   3.707
  234    HA   HIS  27           HA       HIS  27   9.206  -1.235   3.160
  235   1HB   HIS  27          1HB       HIS  27   6.717  -0.794   1.653
  236   2HB   HIS  27          2HB       HIS  27   8.183  -0.679   0.684
  237    HD1  HIS  27           HD1      HIS  27   9.736  -2.849   0.679
  238    HD2  HIS  27           HD2      HIS  27   5.938  -3.343   2.293
  239    HE1  HIS  27           HE1      HIS  27   9.355  -5.334   0.755
  240    HE2  HIS  27           HE2      HIS  27   7.051  -5.611   1.735
  241    H    LYS  28           H        LYS  28   7.803   1.921   3.052
  242    HA   LYS  28           HA       LYS  28   9.759   3.073   1.300
  243   1HB   LYS  28          1HB       LYS  28   7.392   3.930   1.703
  244   2HB   LYS  28          2HB       LYS  28   7.989   4.563   3.231
  245   1HG   LYS  28          1HG       LYS  28   9.824   5.508   1.418
  246   2HG   LYS  28          2HG       LYS  28   8.300   5.594   0.532
  247   1HD   LYS  28          1HD       LYS  28   8.484   7.661   1.636
  248   2HD   LYS  28          2HD       LYS  28   7.347   6.725   2.607
  249   1HE   LYS  28          1HE       LYS  28   8.754   6.595   4.369
  250   2HE   LYS  28          2HE       LYS  28  10.185   6.458   3.349
  251   1HZ   LYS  28          1HZ       LYS  28  10.019   8.848   2.907
  252   2HZ   LYS  28          2HZ       LYS  28   8.698   8.955   3.958
  253   3HZ   LYS  28          3HZ       LYS  28  10.220   8.524   4.556
  254    H    GLN  29           H        GLN  29   9.493   2.459   4.695
  255    HA   GLN  29           HA       GLN  29  11.532   4.328   5.481
  256   1HB   GLN  29          1HB       GLN  29   9.586   3.368   6.906
  257   2HB   GLN  29          2HB       GLN  29  10.646   1.984   7.136
  258   1HG   GLN  29          1HG       GLN  29  12.242   3.251   8.285
  259   2HG   GLN  29          2HG       GLN  29  11.554   4.777   7.731
  260   2HE2  GLN  29          2HE2      GLN  29  11.633   5.314  10.020
  261   1HE2  GLN  29          1HE2      GLN  29  10.327   4.827  11.041
  262    H    SER  30           H        SER  30  11.349   0.912   4.693
  263    HA   SER  30           HA       SER  30  14.012   0.305   5.548
  264   1HB   SER  30          1HB       SER  30  13.617  -1.809   4.176
  265   2HB   SER  30          2HB       SER  30  12.491  -1.522   5.502
  266    HG   SER  30           HG       SER  30  11.022  -1.712   4.017
  267    H    ILE  31           H        ILE  31  12.503   1.241   2.514
  268    HA   ILE  31           HA       ILE  31  14.863   0.804   0.938
  269    HB   ILE  31           HB       ILE  31  12.707   0.643  -0.128
  270   1HG1  ILE  31          1HG1      ILE  31  13.008   2.419  -1.955
  271   2HG1  ILE  31          2HG1      ILE  31  14.407   2.962  -1.034
  272   1HG2  ILE  31          1HG2      ILE  31  12.024   2.807   1.456
  273   2HG2  ILE  31          2HG2      ILE  31  11.999   3.449  -0.186
  274   3HG2  ILE  31          3HG2      ILE  31  11.017   2.043   0.227
  275   1HD1  ILE  31          1HD1      ILE  31  15.286   0.616  -1.202
  276   2HD1  ILE  31          2HD1      ILE  31  13.980   0.299  -2.343
  277   3HD1  ILE  31          3HD1      ILE  31  15.201   1.514  -2.718
  278    H    LYS  32           H        LYS  32  13.489   3.444   2.748
  279    HA   LYS  32           HA       LYS  32  15.169   5.457   1.557
  280   1HB   LYS  32          1HB       LYS  32  12.925   5.970   2.495
  281   2HB   LYS  32          2HB       LYS  32  13.535   5.584   4.098
  282   1HG   LYS  32          1HG       LYS  32  13.743   7.852   4.113
  283   2HG   LYS  32          2HG       LYS  32  15.335   7.398   3.502
  284   1HD   LYS  32          1HD       LYS  32  14.796   8.969   1.945
  285   2HD   LYS  32          2HD       LYS  32  14.059   7.562   1.176
  286   1HE   LYS  32          1HE       LYS  32  12.064   8.430   2.833
  287   2HE   LYS  32          2HE       LYS  32  12.816   9.944   2.335
  288   1HZ   LYS  32          1HZ       LYS  32  11.903   7.834   0.456
  289   2HZ   LYS  32          2HZ       LYS  32  11.001   9.209   0.858
  290   3HZ   LYS  32          3HZ       LYS  32  12.478   9.372   0.050
  291    H    LYS  33           H        LYS  33  15.265   3.355   4.345
  292    HA   LYS  33           HA       LYS  33  17.486   4.714   5.577
  293   1HB   LYS  33          1HB       LYS  33  15.686   3.322   6.764
  294   2HB   LYS  33          2HB       LYS  33  16.566   1.912   6.192
  295   1HG   LYS  33          1HG       LYS  33  17.736   2.060   8.074
  296   2HG   LYS  33          2HG       LYS  33  18.537   3.450   7.338
  297   1HD   LYS  33          1HD       LYS  33  15.945   3.812   8.784
  298   2HD   LYS  33          2HD       LYS  33  17.449   3.674   9.697
  299   1HE   LYS  33          1HE       LYS  33  17.715   5.502   7.470
  300   2HE   LYS  33          2HE       LYS  33  16.396   5.975   8.541
  301   1HZ   LYS  33          1HZ       LYS  33  18.010   5.751  10.410
  302   2HZ   LYS  33          2HZ       LYS  33  19.241   5.556   9.267
  303   3HZ   LYS  33          3HZ       LYS  33  18.365   7.001   9.327
  304    H    LEU  34           H        LEU  34  17.002   1.971   3.452
  305    HA   LEU  34           HA       LEU  34  19.722   1.059   3.628
  306   1HB   LEU  34          1HB       LEU  34  17.257   0.220   2.306
  307   2HB   LEU  34          2HB       LEU  34  18.679  -0.008   1.306
  308    HG   LEU  34           HG       LEU  34  18.824  -0.988   4.106
  309   1HD1  LEU  34          1HD1      LEU  34  16.597  -1.641   2.626
  310   2HD1  LEU  34          2HD1      LEU  34  17.705  -2.974   2.304
  311   3HD1  LEU  34          3HD1      LEU  34  17.266  -2.574   3.965
  312   1HD2  LEU  34          1HD2      LEU  34  20.588  -1.085   2.177
  313   2HD2  LEU  34          2HD2      LEU  34  20.368  -2.463   3.256
  314   3HD2  LEU  34          3HD2      LEU  34  19.636  -2.474   1.651
  315    H    LYS  35           H        LYS  35  17.910   3.268   1.644
  316    HA   LYS  35           HA       LYS  35  19.901   3.433  -0.429
  317   1HB   LYS  35          1HB       LYS  35  17.384   3.883  -0.664
  318   2HB   LYS  35          2HB       LYS  35  17.716   5.442   0.078
  319   1HG   LYS  35          1HG       LYS  35  19.588   5.089  -2.009
  320   2HG   LYS  35          2HG       LYS  35  17.996   4.661  -2.640
  321   1HD   LYS  35          1HD       LYS  35  18.665   7.218  -1.185
  322   2HD   LYS  35          2HD       LYS  35  18.517   7.051  -2.936
  323   1HE   LYS  35          1HE       LYS  35  16.164   6.107  -2.392
  324   2HE   LYS  35          2HE       LYS  35  16.394   6.895  -0.832
  325   1HZ   LYS  35          1HZ       LYS  35  16.626   8.284  -3.444
  326   2HZ   LYS  35          2HZ       LYS  35  15.226   8.279  -2.495
  327   3HZ   LYS  35          3HZ       LYS  35  16.643   8.994  -1.910
  328    H    GLN  36           H        GLN  36  19.080   5.190   2.491
  329    HA   GLN  36           HA       GLN  36  20.858   7.380   1.962
  330   1HB   GLN  36          1HB       GLN  36  18.912   7.729   3.370
  331   2HB   GLN  36          2HB       GLN  36  19.465   6.498   4.495
  332   1HG   GLN  36          1HG       GLN  36  21.547   8.386   4.229
  333   2HG   GLN  36          2HG       GLN  36  20.044   9.280   4.458
  334   2HE2  GLN  36          2HE2      GLN  36  20.980   9.928   6.489
  335   1HE2  GLN  36          1HE2      GLN  36  20.873   8.877   7.856
  336    H    SER  37           H        SER  37  21.053   4.299   3.589
  337    HA   SER  37           HA       SER  37  23.524   4.851   4.931
  338   1HB   SER  37          1HB       SER  37  21.652   3.020   5.394
  339   2HB   SER  37          2HB       SER  37  22.680   2.049   4.341
  340    HG   SER  37           HG       SER  37  23.572   1.708   6.267
  341    H    GLU  38           H        GLU  38  22.596   3.714   1.795
  342    HA   GLU  38           HA       GLU  38  25.100   2.508   1.123
  343   1HB   GLU  38          1HB       GLU  38  22.618   2.405   0.035
  344   2HB   GLU  38          2HB       GLU  38  23.398   3.535  -1.062
  345   1HG   GLU  38          1HG       GLU  38  25.187   1.887  -1.445
  346   2HG   GLU  38          2HG       GLU  38  24.331   0.751  -0.404
  347    H    ASP  39           H        ASP  39  23.813   5.724   1.059
  348    HA   ASP  39           HA       ASP  39  25.647   6.820  -0.822
  349   1HB   ASP  39          1HB       ASP  39  23.379   7.766   0.089
  350   2HB   ASP  39          2HB       ASP  39  24.393   8.462   1.349
  351    H    ASP  40           H        ASP  40  25.786   6.101   2.565
  352    HA   ASP  40           HA       ASP  40  28.294   7.598   2.842
  353   1HB   ASP  40          1HB       ASP  40  26.617   8.036   4.566
  354   2HB   ASP  40          2HB       ASP  40  26.535   6.319   4.946
  355    H    ASP  41           H        ASP  41  30.071   6.541   4.022
  356    HA   ASP  41           HA       ASP  41  30.153   3.704   4.271
  357   1HB   ASP  41          1HB       ASP  41  31.991   3.426   2.523
  358   2HB   ASP  41          2HB       ASP  41  30.350   3.609   1.913
  359    H1   ALA   1           H1       ALA   1  32.747  -9.665  -4.825
  360    H2   ALA   1           H2       ALA   1  32.036  -9.034  -6.254
  361    H3   ALA   1           H3       ALA   1  32.470  -7.978  -4.975
  362    HA   ALA   1           HA       ALA   1  30.151  -8.291  -4.975
  363   1HB   ALA   1          1HB       ALA   1  30.098 -10.421  -6.163
  364   2HB   ALA   1          2HB       ALA   1  29.172 -10.507  -4.664
  365   3HB   ALA   1          3HB       ALA   1  30.777 -11.233  -4.752
  366    H    LEU   2           H        LEU   2  31.000  -7.054  -3.146
  367    HA   LEU   2           HA       LEU   2  31.025  -8.632  -0.657
  368   1HB   LEU   2          1HB       LEU   2  33.024  -7.034  -1.561
  369   2HB   LEU   2          2HB       LEU   2  32.112  -5.892  -0.592
  370    HG   LEU   2           HG       LEU   2  32.263  -7.855   1.198
  371   1HD1  LEU   2          1HD1      LEU   2  33.722  -9.000  -0.781
  372   2HD1  LEU   2          2HD1      LEU   2  34.985  -8.212   0.165
  373   3HD1  LEU   2          3HD1      LEU   2  33.898  -9.368   0.935
  374   1HD2  LEU   2          1HD2      LEU   2  33.980  -5.555   0.537
  375   2HD2  LEU   2          2HD2      LEU   2  33.116  -5.939   2.025
  376   3HD2  LEU   2          3HD2      LEU   2  34.659  -6.719   1.675
  377    H    LYS   3           H        LYS   3  30.190  -5.413  -1.940
  378    HA   LYS   3           HA       LYS   3  27.913  -5.373  -0.070
  379   1HB   LYS   3          1HB       LYS   3  30.049  -3.434  -0.470
  380   2HB   LYS   3          2HB       LYS   3  28.457  -2.715  -0.668
  381   1HG   LYS   3          1HG       LYS   3  28.255  -2.586   1.527
  382   2HG   LYS   3          2HG       LYS   3  28.356  -4.344   1.636
  383   1HD   LYS   3          1HD       LYS   3  30.044  -3.183   3.029
  384   2HD   LYS   3          2HD       LYS   3  30.759  -4.242   1.811
  385   1HE   LYS   3          1HE       LYS   3  31.735  -2.535   0.726
  386   2HE   LYS   3          2HE       LYS   3  30.329  -1.487   0.913
  387   1HZ   LYS   3          1HZ       LYS   3  32.281  -2.065   3.074
  388   2HZ   LYS   3          2HZ       LYS   3  32.323  -0.686   2.095
  389   3HZ   LYS   3          3HZ       LYS   3  31.009  -0.951   3.129
  390    H    LYS   4           H        LYS   4  28.160  -6.246  -2.909
  391    HA   LYS   4           HA       LYS   4  26.689  -4.239  -4.396
  392   1HB   LYS   4          1HB       LYS   4  26.878  -5.735  -6.276
  393   2HB   LYS   4          2HB       LYS   4  28.439  -5.641  -5.472
  394   1HG   LYS   4          1HG       LYS   4  28.350  -7.879  -5.726
  395   2HG   LYS   4          2HG       LYS   4  27.451  -7.775  -4.210
  396   1HD   LYS   4          1HD       LYS   4  25.354  -7.863  -5.390
  397   2HD   LYS   4          2HD       LYS   4  26.183  -7.785  -6.947
  398   1HE   LYS   4          1HE       LYS   4  27.382  -9.934  -6.131
  399   2HE   LYS   4          2HE       LYS   4  26.048 -10.040  -4.982
  400   1HZ   LYS   4          1HZ       LYS   4  25.105  -9.525  -7.616
  401   2HZ   LYS   4          2HZ       LYS   4  26.053 -10.925  -7.581
  402   3HZ   LYS   4          3HZ       LYS   4  24.707 -10.788  -6.564
  403    H    HIS   5           H        HIS   5  26.053  -7.106  -2.564
  404    HA   HIS   5           HA       HIS   5  23.564  -7.826  -3.657
  405   1HB   HIS   5          1HB       HIS   5  23.191  -8.857  -1.346
  406   2HB   HIS   5          2HB       HIS   5  24.594  -9.416  -2.250
  407    HD1  HIS   5           HD1      HIS   5  26.517  -9.712  -0.741
  408    HD2  HIS   5           HD2      HIS   5  24.171  -6.471   0.384
  409    HE1  HIS   5           HE1      HIS   5  27.651  -8.730   1.278
  410    HE2  HIS   5           HE2      HIS   5  26.215  -6.768   1.942
  411    H    HIS   6           H        HIS   6  24.501  -5.319  -1.437
  412    HA   HIS   6           HA       HIS   6  22.024  -4.789  -0.237
  413   1HB   HIS   6          1HB       HIS   6  24.610  -3.543  -0.373
  414   2HB   HIS   6          2HB       HIS   6  23.360  -2.320  -0.578
  415    HD1  HIS   6           HD1      HIS   6  22.584  -5.236   1.588
  416    HD2  HIS   6           HD2      HIS   6  23.950  -1.334   2.009
  417    HE1  HIS   6           HE1      HIS   6  22.391  -4.717   4.042
  418    HE2  HIS   6           HE2      HIS   6  23.224  -2.350   4.274
  419    H    GLU   7           H        GLU   7  23.402  -3.720  -3.300
  420    HA   GLU   7           HA       GLU   7  21.424  -1.810  -3.929
  421   1HB   GLU   7          1HB       GLU   7  23.547  -3.260  -5.407
  422   2HB   GLU   7          2HB       GLU   7  22.234  -2.601  -6.373
  423   1HG   GLU   7          1HG       GLU   7  22.665  -0.395  -5.225
  424   2HG   GLU   7          2HG       GLU   7  24.138  -1.122  -4.585
  425    H    ASN   8           H        ASN   8  21.493  -5.265  -4.088
  426    HA   ASN   8           HA       ASN   8  19.362  -5.577  -5.962
  427   1HB   ASN   8          1HB       ASN   8  21.194  -7.273  -4.681
  428   2HB   ASN   8          2HB       ASN   8  19.609  -7.797  -4.121
  429   2HD2  ASN   8          2HD2      ASN   8  20.613  -9.683  -5.417
  430   1HD2  ASN   8          1HD2      ASN   8  20.117  -9.780  -7.069
  431    H    GLU   9           H        GLU   9  19.536  -6.004  -2.423
  432    HA   GLU   9           HA       GLU   9  16.768  -6.355  -2.050
  433   1HB   GLU   9          1HB       GLU   9  19.113  -6.141  -0.404
  434   2HB   GLU   9          2HB       GLU   9  17.831  -5.150   0.278
  435   1HG   GLU   9          1HG       GLU   9  16.364  -7.256  -0.062
  436   2HG   GLU   9          2HG       GLU   9  17.908  -8.101  -0.161
  437    H    ILE  10           H        ILE  10  18.703  -3.548  -2.563
  438    HA   ILE  10           HA       ILE  10  16.882  -1.657  -1.450
  439    HB   ILE  10           HB       ILE  10  19.516  -1.619  -2.575
  440   1HG1  ILE  10          1HG1      ILE  10  18.615   0.896  -1.458
  441   2HG1  ILE  10          2HG1      ILE  10  18.085  -0.475  -0.488
  442   1HG2  ILE  10          1HG2      ILE  10  17.648   0.337  -3.864
  443   2HG2  ILE  10          2HG2      ILE  10  19.339   0.740  -3.577
  444   3HG2  ILE  10          3HG2      ILE  10  18.924  -0.638  -4.594
  445   1HD1  ILE  10          1HD1      ILE  10  20.860  -0.696  -1.301
  446   2HD1  ILE  10          2HD1      ILE  10  20.534   0.759  -0.360
  447   3HD1  ILE  10          3HD1      ILE  10  20.131  -0.827   0.299
  448    H    SER  11           H        SER  11  17.566  -2.825  -4.729
  449    HA   SER  11           HA       SER  11  15.739  -1.151  -6.066
  450   1HB   SER  11          1HB       SER  11  16.177  -2.425  -7.971
  451   2HB   SER  11          2HB       SER  11  17.633  -2.678  -7.010
  452    HG   SER  11           HG       SER  11  17.162  -4.711  -7.258
  453    H    HIS  12           H        HIS  12  15.359  -4.187  -4.372
  454    HA   HIS  12           HA       HIS  12  12.764  -4.758  -5.396
  455   1HB   HIS  12          1HB       HIS  12  13.339  -6.743  -4.536
  456   2HB   HIS  12          2HB       HIS  12  14.690  -6.024  -3.680
  457    HD1  HIS  12           HD1      HIS  12  10.958  -6.569  -3.156
  458    HD2  HIS  12           HD2      HIS  12  14.487  -6.215  -0.995
  459    HE1  HIS  12           HE1      HIS  12  10.330  -7.038  -0.766
  460    HE2  HIS  12           HE2      HIS  12  12.483  -6.822   0.527
  461    H    HIS  13           H        HIS  13  13.959  -3.211  -2.426
  462    HA   HIS  13           HA       HIS  13  11.435  -2.835  -1.227
  463   1HB   HIS  13          1HB       HIS  13  13.817  -1.003  -0.913
  464   2HB   HIS  13          2HB       HIS  13  12.499  -1.247   0.225
  465    HD1  HIS  13           HD1      HIS  13  12.649  -4.452  -0.025
  466    HD2  HIS  13           HD2      HIS  13  15.747  -1.839   0.881
  467    HE1  HIS  13           HE1      HIS  13  14.342  -5.828   1.230
  468    HE2  HIS  13           HE2      HIS  13  16.212  -4.227   1.768
  469    H    ALA  14           H        ALA  14  13.114  -1.163  -3.760
  470    HA   ALA  14           HA       ALA  14  11.660   1.272  -3.662
  471   1HB   ALA  14          1HB       ALA  14  13.269  -0.062  -5.825
  472   2HB   ALA  14          2HB       ALA  14  13.716   1.316  -4.820
  473   3HB   ALA  14          3HB       ALA  14  12.472   1.494  -6.057
  474    H    LYS  15           H        LYS  15  11.389  -1.556  -5.814
  475    HA   LYS  15           HA       LYS  15   8.997  -0.670  -7.048
  476   1HB   LYS  15          1HB       LYS  15  10.317  -3.375  -6.859
  477   2HB   LYS  15          2HB       LYS  15   8.823  -3.113  -7.749
  478   1HG   LYS  15          1HG       LYS  15  10.484  -1.137  -8.709
  479   2HG   LYS  15          2HG       LYS  15  11.564  -2.516  -8.490
  480   1HD   LYS  15          1HD       LYS  15   9.422  -3.715  -9.642
  481   2HD   LYS  15          2HD       LYS  15   9.358  -2.121 -10.395
  482   1HE   LYS  15          1HE       LYS  15  11.739  -3.972 -10.348
  483   2HE   LYS  15          2HE       LYS  15  10.686  -3.672 -11.730
  484   1HZ   LYS  15          1HZ       LYS  15  11.501  -1.187 -10.940
  485   2HZ   LYS  15          2HZ       LYS  15  12.890  -2.135 -10.766
  486   3HZ   LYS  15          3HZ       LYS  15  12.098  -2.060 -12.259
  487    H    GLU  16           H        GLU  16   9.608  -1.963  -3.963
  488    HA   GLU  16           HA       GLU  16   7.024  -3.215  -3.652
  489   1HB   GLU  16          1HB       GLU  16   9.514  -3.048  -2.117
  490   2HB   GLU  16          2HB       GLU  16   8.069  -2.973  -1.120
  491   1HG   GLU  16          1HG       GLU  16   8.561  -5.118  -3.166
  492   2HG   GLU  16          2HG       GLU  16   9.021  -5.259  -1.470
  493    H    ILE  17           H        ILE  17   8.596  -0.185  -2.733
  494    HA   ILE  17           HA       ILE  17   6.366   0.670  -1.114
  495    HB   ILE  17           HB       ILE  17   8.565   1.497  -0.558
  496   1HG1  ILE  17          1HG1      ILE  17   6.452   2.960  -0.340
  497   2HG1  ILE  17          2HG1      ILE  17   8.018   3.742  -0.165
  498   1HG2  ILE  17          1HG2      ILE  17   8.659   2.143  -3.424
  499   2HG2  ILE  17          2HG2      ILE  17   9.373   3.346  -2.350
  500   3HG2  ILE  17          3HG2      ILE  17   9.951   1.681  -2.316
  501   1HD1  ILE  17          1HD1      ILE  17   7.237   3.832  -2.906
  502   2HD1  ILE  17          2HD1      ILE  17   5.914   4.420  -1.900
  503   3HD1  ILE  17          3HD1      ILE  17   7.509   5.161  -1.779
  504    H    GLU  18           H        GLU  18   7.414   1.025  -4.423
  505    HA   GLU  18           HA       GLU  18   5.472   3.067  -5.043
  506   1HB   GLU  18          1HB       GLU  18   7.711   1.775  -6.389
  507   2HB   GLU  18          2HB       GLU  18   6.319   1.961  -7.448
  508   1HG   GLU  18          1HG       GLU  18   6.365   4.410  -6.411
  509   2HG   GLU  18          2HG       GLU  18   8.073   4.008  -6.235
  510    H    ARG  19           H        ARG  19   5.826  -0.419  -5.472
  511    HA   ARG  19           HA       ARG  19   3.418  -0.708  -6.994
  512   1HB   ARG  19          1HB       ARG  19   5.334  -2.313  -7.087
  513   2HB   ARG  19          2HB       ARG  19   4.934  -2.822  -5.452
  514   1HG   ARG  19          1HG       ARG  19   2.727  -3.557  -6.236
  515   2HG   ARG  19          2HG       ARG  19   3.169  -3.084  -7.878
  516   1HD   ARG  19          1HD       ARG  19   3.827  -5.225  -8.064
  517   2HD   ARG  19          2HD       ARG  19   5.268  -4.661  -7.218
  518    HE   ARG  19           HE       ARG  19   3.520  -5.350  -5.232
  519   1HH1  ARG  19          1HH1      ARG  19   4.920  -6.977  -7.974
  520   2HH1  ARG  19          2HH1      ARG  19   4.892  -8.539  -7.226
  521   1HH2  ARG  19          1HH2      ARG  19   3.478  -7.402  -4.237
  522   2HH2  ARG  19          2HH2      ARG  19   4.071  -8.781  -5.101
  523    H    LEU  20           H        LEU  20   4.262  -0.675  -3.623
  524    HA   LEU  20           HA       LEU  20   1.845  -1.873  -2.682
  525   1HB   LEU  20          1HB       LEU  20   4.107  -0.373  -1.428
  526   2HB   LEU  20          2HB       LEU  20   2.628  -0.603  -0.515
  527    HG   LEU  20           HG       LEU  20   4.065  -2.934  -1.749
  528   1HD1  LEU  20          1HD1      LEU  20   5.197  -1.256   0.162
  529   2HD1  LEU  20          2HD1      LEU  20   4.560  -2.624   1.074
  530   3HD1  LEU  20          3HD1      LEU  20   5.698  -2.897  -0.245
  531   1HD2  LEU  20          1HD2      LEU  20   1.810  -2.502   0.085
  532   2HD2  LEU  20          2HD2      LEU  20   2.150  -3.847  -1.004
  533   3HD2  LEU  20          3HD2      LEU  20   2.941  -3.765   0.570
  534    H    GLN  21           H        GLN  21   3.004   1.431  -3.157
  535    HA   GLN  21           HA       GLN  21   0.813   2.765  -2.012
  536   1HB   GLN  21          1HB       GLN  21   3.085   3.716  -2.741
  537   2HB   GLN  21          2HB       GLN  21   2.388   3.820  -4.352
  538   1HG   GLN  21          1HG       GLN  21   1.215   5.643  -3.848
  539   2HG   GLN  21          2HG       GLN  21   0.688   4.986  -2.299
  540   2HE2  GLN  21          2HE2      GLN  21   3.872   5.792  -3.640
  541   1HE2  GLN  21          1HE2      GLN  21   4.337   6.848  -2.354
  542    H    LYS  22           H        LYS  22   1.421   1.660  -5.325
  543    HA   LYS  22           HA       LYS  22  -0.905   2.773  -6.470
  544   1HB   LYS  22          1HB       LYS  22   1.076   1.918  -7.738
  545   2HB   LYS  22          2HB       LYS  22   0.556   0.282  -7.359
  546   1HG   LYS  22          1HG       LYS  22  -1.708   1.241  -8.439
  547   2HG   LYS  22          2HG       LYS  22  -0.516   2.210  -9.309
  548   1HD   LYS  22          1HD       LYS  22  -1.042   0.152 -10.520
  549   2HD   LYS  22          2HD       LYS  22   0.645   0.175  -9.999
  550   1HE   LYS  22          1HE       LYS  22   0.358  -1.534  -8.537
  551   2HE   LYS  22          2HE       LYS  22  -1.293  -1.059  -8.141
  552   1HZ   LYS  22          1HZ       LYS  22  -0.833  -2.057 -10.838
  553   2HZ   LYS  22          2HZ       LYS  22  -0.723  -3.192  -9.589
  554   3HZ   LYS  22          3HZ       LYS  22  -2.147  -2.304  -9.801
  555    H    GLU  23           H        GLU  23  -0.265  -0.301  -4.879
  556    HA   GLU  23           HA       GLU  23  -2.705  -1.561  -5.523
  557   1HB   GLU  23          1HB       GLU  23  -0.521  -2.543  -4.515
  558   2HB   GLU  23          2HB       GLU  23  -1.223  -2.093  -2.967
  559   1HG   GLU  23          1HG       GLU  23  -2.974  -3.603  -3.178
  560   2HG   GLU  23          2HG       GLU  23  -2.766  -3.747  -4.923
  561    H    ILE  24           H        ILE  24  -1.754   0.553  -2.860
  562    HA   ILE  24           HA       ILE  24  -4.095   0.184  -1.322
  563    HB   ILE  24           HB       ILE  24  -3.317   1.770   0.123
  564   1HG1  ILE  24          1HG1      ILE  24  -1.759   3.705  -0.752
  565   2HG1  ILE  24          2HG1      ILE  24  -2.515   3.340  -2.300
  566   1HG2  ILE  24          1HG2      ILE  24  -1.423   0.154  -0.792
  567   2HG2  ILE  24          2HG2      ILE  24  -0.678   1.695  -1.207
  568   3HG2  ILE  24          3HG2      ILE  24  -1.120   1.354   0.463
  569   1HD1  ILE  24          1HD1      ILE  24  -4.566   3.510  -0.360
  570   2HD1  ILE  24          2HD1      ILE  24  -3.511   4.911  -0.166
  571   3HD1  ILE  24          3HD1      ILE  24  -4.252   4.576  -1.731
  572    H    GLU  25           H        GLU  25  -3.242   2.447  -3.883
  573    HA   GLU  25           HA       GLU  25  -5.473   4.126  -3.738
  574   1HB   GLU  25          1HB       GLU  25  -3.294   4.259  -5.190
  575   2HB   GLU  25          2HB       GLU  25  -4.257   3.389  -6.377
  576   1HG   GLU  25          1HG       GLU  25  -5.226   5.266  -7.016
  577   2HG   GLU  25          2HG       GLU  25  -5.788   5.571  -5.373
  578    H    ARG  26           H        ARG  26  -4.965   1.105  -5.526
  579    HA   ARG  26           HA       ARG  26  -7.364   1.028  -6.932
  580   1HB   ARG  26          1HB       ARG  26  -5.216  -0.638  -6.691
  581   2HB   ARG  26          2HB       ARG  26  -6.456  -1.560  -5.851
  582   1HG   ARG  26          1HG       ARG  26  -6.920  -2.342  -7.896
  583   2HG   ARG  26          2HG       ARG  26  -7.801  -0.823  -8.079
  584   1HD   ARG  26          1HD       ARG  26  -5.660   0.169  -8.972
  585   2HD   ARG  26          2HD       ARG  26  -5.015  -1.471  -9.016
  586    HE   ARG  26           HE       ARG  26  -6.811  -0.295 -10.881
  587   1HH1  ARG  26          1HH1      ARG  26  -5.995  -3.300  -9.321
  588   2HH1  ARG  26          2HH1      ARG  26  -6.608  -4.284 -10.608
  589   1HH2  ARG  26          1HH2      ARG  26  -7.622  -1.582 -12.581
  590   2HH2  ARG  26          2HH2      ARG  26  -7.532  -3.307 -12.462
  591    H    HIS  27           H        HIS  27  -6.608  -0.265  -3.708
  592    HA   HIS  27           HA       HIS  27  -9.204  -1.233  -3.163
  593   1HB   HIS  27          1HB       HIS  27  -6.716  -0.794  -1.655
  594   2HB   HIS  27          2HB       HIS  27  -8.181  -0.679  -0.686
  595    HD1  HIS  27           HD1      HIS  27  -9.736  -2.848  -0.685
  596    HD2  HIS  27           HD2      HIS  27  -5.938  -3.343  -2.297
  597    HE1  HIS  27           HE1      HIS  27  -9.357  -5.333  -0.763
  598    HE2  HIS  27           HE2      HIS  27  -7.052  -5.611  -1.743
  599    H    LYS  28           H        LYS  28  -7.799   1.924  -3.047
  600    HA   LYS  28           HA       LYS  28  -9.757   3.073  -1.295
  601   1HB   LYS  28          1HB       LYS  28  -7.390   3.931  -1.697
  602   2HB   LYS  28          2HB       LYS  28  -7.986   4.566  -3.224
  603   1HG   LYS  28          1HG       LYS  28  -9.822   5.508  -1.410
  604   2HG   LYS  28          2HG       LYS  28  -8.298   5.594  -0.524
  605   1HD   LYS  28          1HD       LYS  28  -8.483   7.662  -1.626
  606   2HD   LYS  28          2HD       LYS  28  -7.345   6.727  -2.598
  607   1HE   LYS  28          1HE       LYS  28  -8.752   6.599  -4.360
  608   2HE   LYS  28          2HE       LYS  28 -10.184   6.460  -3.340
  609   1HZ   LYS  28          1HZ       LYS  28 -10.019   8.849  -2.895
  610   2HZ   LYS  28          2HZ       LYS  28  -8.697   8.958  -3.945
  611   3HZ   LYS  28          3HZ       LYS  28 -10.219   8.528  -4.545
  612    H    GLN  29           H        GLN  29  -9.490   2.464  -4.691
  613    HA   GLN  29           HA       GLN  29 -11.530   4.335  -5.475
  614   1HB   GLN  29          1HB       GLN  29  -9.584   3.377  -6.902
  615   2HB   GLN  29          2HB       GLN  29 -10.643   1.993  -7.134
  616   1HG   GLN  29          1HG       GLN  29 -12.239   3.261  -8.281
  617   2HG   GLN  29          2HG       GLN  29 -11.551   4.786  -7.724
  618   2HE2  GLN  29          2HE2      GLN  29 -11.631   5.327 -10.012
  619   1HE2  GLN  29          1HE2      GLN  29 -10.325   4.842 -11.034
  620    H    SER  30           H        SER  30 -11.347   0.916  -4.693
  621    HA   SER  30           HA       SER  30 -14.009   0.312  -5.549
  622   1HB   SER  30          1HB       SER  30 -13.615  -1.804  -4.179
  623   2HB   SER  30          2HB       SER  30 -12.489  -1.516  -5.505
  624    HG   SER  30           HG       SER  30 -11.020  -1.708  -4.020
  625    H    ILE  31           H        ILE  31 -12.501   1.245  -2.514
  626    HA   ILE  31           HA       ILE  31 -14.862   0.806  -0.939
  627    HB   ILE  31           HB       ILE  31 -12.707   0.644   0.129
  628   1HG1  ILE  31          1HG1      ILE  31 -13.008   2.420   1.956
  629   2HG1  ILE  31          2HG1      ILE  31 -14.407   2.964   1.035
  630   1HG2  ILE  31          1HG2      ILE  31 -12.022   2.808  -1.454
  631   2HG2  ILE  31          2HG2      ILE  31 -11.998   3.449   0.189
  632   3HG2  ILE  31          3HG2      ILE  31 -11.016   2.044  -0.224
  633   1HD1  ILE  31          1HD1      ILE  31 -15.285   0.618   1.201
  634   2HD1  ILE  31          2HD1      ILE  31 -13.980   0.301   2.344
  635   3HD1  ILE  31          3HD1      ILE  31 -15.202   1.515   2.717
  636    H    LYS  32           H        LYS  32 -13.488   3.448  -2.745
  637    HA   LYS  32           HA       LYS  32 -15.169   5.459  -1.553
  638   1HB   LYS  32          1HB       LYS  32 -12.925   5.972  -2.492
  639   2HB   LYS  32          2HB       LYS  32 -13.537   5.590  -4.096
  640   1HG   LYS  32          1HG       LYS  32 -13.743   7.859  -4.104
  641   2HG   LYS  32          2HG       LYS  32 -15.335   7.404  -3.495
  642   1HD   LYS  32          1HD       LYS  32 -14.797   8.970  -1.933
  643   2HD   LYS  32          2HD       LYS  32 -14.059   7.560  -1.168
  644   1HE   LYS  32          1HE       LYS  32 -12.064   8.434  -2.823
  645   2HE   LYS  32          2HE       LYS  32 -12.817   9.947  -2.320
  646   1HZ   LYS  32          1HZ       LYS  32 -11.904   7.832  -0.447
  647   2HZ   LYS  32          2HZ       LYS  32 -11.002   9.207  -0.846
  648   3HZ   LYS  32          3HZ       LYS  32 -12.479   9.369  -0.037
  649    H    LYS  33           H        LYS  33 -15.266   3.359  -4.343
  650    HA   LYS  33           HA       LYS  33 -17.487   4.718  -5.574
  651   1HB   LYS  33          1HB       LYS  33 -15.686   3.327  -6.760
  652   2HB   LYS  33          2HB       LYS  33 -16.568   1.917  -6.191
  653   1HG   LYS  33          1HG       LYS  33 -17.736   2.069  -8.074
  654   2HG   LYS  33          2HG       LYS  33 -18.536   3.459  -7.337
  655   1HD   LYS  33          1HD       LYS  33 -15.942   3.823  -8.779
  656   2HD   LYS  33          2HD       LYS  33 -17.445   3.686  -9.694
  657   1HE   LYS  33          1HE       LYS  33 -17.713   5.511  -7.464
  658   2HE   LYS  33          2HE       LYS  33 -16.394   5.985  -8.533
  659   1HZ   LYS  33          1HZ       LYS  33 -18.006   5.764 -10.404
  660   2HZ   LYS  33          2HZ       LYS  33 -19.238   5.568  -9.262
  661   3HZ   LYS  33          3HZ       LYS  33 -18.362   7.013  -9.319
  662    H    LEU  34           H        LEU  34 -17.002   1.974  -3.451
  663    HA   LEU  34           HA       LEU  34 -19.722   1.061  -3.627
  664   1HB   LEU  34          1HB       LEU  34 -17.256   0.220  -2.309
  665   2HB   LEU  34          2HB       LEU  34 -18.675  -0.006  -1.305
  666    HG   LEU  34           HG       LEU  34 -18.830  -0.986  -4.104
  667   1HD1  LEU  34          1HD1      LEU  34 -16.599  -1.642  -2.628
  668   2HD1  LEU  34          2HD1      LEU  34 -17.709  -2.975  -2.307
  669   3HD1  LEU  34          3HD1      LEU  34 -17.271  -2.572  -3.967
  670   1HD2  LEU  34          1HD2      LEU  34 -20.590  -1.081  -2.175
  671   2HD2  LEU  34          2HD2      LEU  34 -20.369  -2.464  -3.247
  672   3HD2  LEU  34          3HD2      LEU  34 -19.637  -2.466  -1.643
  673    H    LYS  35           H        LYS  35 -17.911   3.269  -1.642
  674    HA   LYS  35           HA       LYS  35 -19.902   3.432   0.432
  675   1HB   LYS  35          1HB       LYS  35 -17.384   3.883   0.666
  676   2HB   LYS  35          2HB       LYS  35 -17.718   5.443  -0.072
  677   1HG   LYS  35          1HG       LYS  35 -19.589   5.083   2.015
  678   2HG   LYS  35          2HG       LYS  35 -17.997   4.654   2.644
  679   1HD   LYS  35          1HD       LYS  35 -18.667   7.216   1.198
  680   2HD   LYS  35          2HD       LYS  35 -18.517   7.043   2.948
  681   1HE   LYS  35          1HE       LYS  35 -16.165   6.102   2.399
  682   2HE   LYS  35          2HE       LYS  35 -16.397   6.893   0.840
  683   1HZ   LYS  35          1HZ       LYS  35 -16.626   8.277   3.455
  684   2HZ   LYS  35          2HZ       LYS  35 -15.227   8.273   2.505
  685   3HZ   LYS  35          3HZ       LYS  35 -16.644   8.990   1.921
  686    H    GLN  36           H        GLN  36 -19.080   5.192  -2.487
  687    HA   GLN  36           HA       GLN  36 -20.858   7.381  -1.955
  688   1HB   GLN  36          1HB       GLN  36 -18.911   7.732  -3.362
  689   2HB   GLN  36          2HB       GLN  36 -19.465   6.503  -4.489
  690   1HG   GLN  36          1HG       GLN  36 -21.545   8.391  -4.221
  691   2HG   GLN  36          2HG       GLN  36 -20.043   9.284  -4.448
  692   2HE2  GLN  36          2HE2      GLN  36 -20.979   9.936  -6.478
  693   1HE2  GLN  36          1HE2      GLN  36 -20.872   8.888  -7.847
  694    H    SER  37           H        SER  37 -21.052   4.302  -3.586
  695    HA   SER  37           HA       SER  37 -23.522   4.856  -4.929
  696   1HB   SER  37          1HB       SER  37 -21.648   3.025  -5.392
  697   2HB   SER  37          2HB       SER  37 -22.680   2.053  -4.343
  698    HG   SER  37           HG       SER  37 -23.569   1.716  -6.269
  699    H    GLU  38           H        GLU  38 -22.596   3.714  -1.794
  700    HA   GLU  38           HA       GLU  38 -25.100   2.506  -1.126
  701   1HB   GLU  38          1HB       GLU  38 -22.618   2.401  -0.037
  702   2HB   GLU  38          2HB       GLU  38 -23.399   3.530   1.062
  703   1HG   GLU  38          1HG       GLU  38 -25.188   1.881   1.441
  704   2HG   GLU  38          2HG       GLU  38 -24.331   0.746   0.398
  705    H    ASP  39           H        ASP  39 -23.814   5.722  -1.057
  706    HA   ASP  39           HA       ASP  39 -25.648   6.815   0.826
  707   1HB   ASP  39          1HB       ASP  39 -23.379   7.762  -0.082
  708   2HB   ASP  39          2HB       ASP  39 -24.393   8.461  -1.342
  709    H    ASP  40           H        ASP  40 -25.786   6.101  -2.562
  710    HA   ASP  40           HA       ASP  40 -28.294   7.601  -2.838
  711   1HB   ASP  40          1HB       ASP  40 -26.616   8.040  -4.560
  712   2HB   ASP  40          2HB       ASP  40 -26.534   6.324  -4.943
  713    H    ASP  41           H        ASP  41 -30.071   6.545  -4.020
  714    HA   ASP  41           HA       ASP  41 -30.153   3.708  -4.274
  715   1HB   ASP  41          1HB       ASP  41 -31.992   3.427  -2.528
  716   2HB   ASP  41          2HB       ASP  41 -30.350   3.609  -1.916

  No H/Q in entry =         716
  Start of MODEL    2
    1    H1   ALA   1           H1       ALA   1 -35.116  -3.981   0.499
    2    H2   ALA   1           H2       ALA   1 -36.432  -3.034  -0.062
    3    H3   ALA   1           H3       ALA   1 -35.541  -4.005  -1.161
    4    HA   ALA   1           HA       ALA   1 -33.852  -2.604  -1.288
    5   1HB   ALA   1          1HB       ALA   1 -36.286  -1.012  -0.592
    6   2HB   ALA   1          2HB       ALA   1 -34.764  -0.206  -0.969
    7   3HB   ALA   1          3HB       ALA   1 -35.524  -1.260  -2.162
    8    H    LEU   2           H        LEU   2 -32.636  -3.484   0.563
    9    HA   LEU   2           HA       LEU   2 -32.226  -1.393   2.579
   10   1HB   LEU   2          1HB       LEU   2 -33.460  -3.775   3.173
   11   2HB   LEU   2          2HB       LEU   2 -31.787  -4.110   3.576
   12    HG   LEU   2           HG       LEU   2 -31.934  -1.864   4.903
   13   1HD1  LEU   2          1HD1      LEU   2 -34.144  -1.239   4.037
   14   2HD1  LEU   2          2HD1      LEU   2 -34.836  -2.672   4.796
   15   3HD1  LEU   2          3HD1      LEU   2 -34.139  -1.396   5.793
   16   1HD2  LEU   2          1HD2      LEU   2 -32.020  -4.488   5.590
   17   2HD2  LEU   2          2HD2      LEU   2 -31.989  -3.153   6.743
   18   3HD2  LEU   2          3HD2      LEU   2 -33.525  -3.899   6.298
   19    H    LYS   3           H        LYS   3 -30.869  -4.584   1.735
   20    HA   LYS   3           HA       LYS   3 -28.723  -5.280   1.422
   21   1HB   LYS   3          1HB       LYS   3 -28.942  -2.701  -0.028
   22   2HB   LYS   3          2HB       LYS   3 -27.317  -3.322   0.225
   23   1HG   LYS   3          1HG       LYS   3 -27.564  -4.726  -1.463
   24   2HG   LYS   3          2HG       LYS   3 -28.973  -5.452  -0.687
   25   1HD   LYS   3          1HD       LYS   3 -30.324  -3.536  -1.622
   26   2HD   LYS   3          2HD       LYS   3 -28.902  -3.109  -2.577
   27   1HE   LYS   3          1HE       LYS   3 -29.461  -5.913  -2.838
   28   2HE   LYS   3          2HE       LYS   3 -30.907  -4.974  -3.209
   29   1HZ   LYS   3          1HZ       LYS   3 -29.616  -3.686  -4.797
   30   2HZ   LYS   3          2HZ       LYS   3 -28.230  -4.587  -4.440
   31   3HZ   LYS   3          3HZ       LYS   3 -29.558  -5.334  -5.177
   32    H    LYS   4           H        LYS   4 -28.922  -4.788   3.948
   33    HA   LYS   4           HA       LYS   4 -27.240  -2.707   4.947
   34   1HB   LYS   4          1HB       LYS   4 -29.170  -4.246   6.059
   35   2HB   LYS   4          2HB       LYS   4 -27.735  -5.070   6.653
   36   1HG   LYS   4          1HG       LYS   4 -27.170  -2.414   7.108
   37   2HG   LYS   4          2HG       LYS   4 -28.896  -2.534   7.455
   38   1HD   LYS   4          1HD       LYS   4 -28.026  -4.740   8.716
   39   2HD   LYS   4          2HD       LYS   4 -26.585  -3.730   8.857
   40   1HE   LYS   4          1HE       LYS   4 -27.649  -2.158  10.157
   41   2HE   LYS   4          2HE       LYS   4 -29.244  -2.555   9.518
   42   1HZ   LYS   4          1HZ       LYS   4 -28.730  -4.817  10.725
   43   2HZ   LYS   4          2HZ       LYS   4 -27.733  -3.832  11.673
   44   3HZ   LYS   4          3HZ       LYS   4 -29.389  -3.502  11.562
   45    H    HIS   5           H        HIS   5 -26.793  -6.077   4.103
   46    HA   HIS   5           HA       HIS   5 -24.348  -6.553   5.373
   47   1HB   HIS   5          1HB       HIS   5 -24.083  -8.407   3.864
   48   2HB   HIS   5          2HB       HIS   5 -25.791  -8.280   4.274
   49    HD1  HIS   5           HD1      HIS   5 -24.016  -9.226   1.530
   50    HD2  HIS   5           HD2      HIS   5 -26.865  -6.246   2.047
   51    HE1  HIS   5           HE1      HIS   5 -24.935  -8.771  -0.766
   52    HE2  HIS   5           HE2      HIS   5 -26.659  -6.963  -0.430
   53    H    HIS   6           H        HIS   6 -25.117  -4.809   2.459
   54    HA   HIS   6           HA       HIS   6 -22.593  -4.793   1.241
   55   1HB   HIS   6          1HB       HIS   6 -25.094  -3.293   0.993
   56   2HB   HIS   6          2HB       HIS   6 -23.671  -2.331   0.607
   57    HD1  HIS   6           HD1      HIS   6 -24.162  -6.003  -0.184
   58    HD2  HIS   6           HD2      HIS   6 -23.820  -2.342  -2.120
   59    HE1  HIS   6           HE1      HIS   6 -24.037  -6.548  -2.636
   60    HE2  HIS   6           HE2      HIS   6 -23.830  -4.317  -3.790
   61    H    GLU   7           H        GLU   7 -23.970  -2.782   3.782
   62    HA   GLU   7           HA       GLU   7 -21.925  -0.839   3.850
   63   1HB   GLU   7          1HB       GLU   7 -23.998  -1.763   5.815
   64   2HB   GLU   7          2HB       GLU   7 -22.765  -0.609   6.307
   65   1HG   GLU   7          1HG       GLU   7 -23.487   0.814   4.359
   66   2HG   GLU   7          2HG       GLU   7 -24.860  -0.278   4.181
   67    H    ASN   8           H        ASN   8 -22.145  -4.071   5.066
   68    HA   ASN   8           HA       ASN   8 -20.046  -3.862   6.990
   69   1HB   ASN   8          1HB       ASN   8 -21.952  -5.780   6.329
   70   2HB   ASN   8          2HB       ASN   8 -20.422  -6.532   5.884
   71   2HD2  ASN   8          2HD2      ASN   8 -20.738  -8.046   7.558
   72   1HD2  ASN   8          1HD2      ASN   8 -20.426  -7.631   9.205
   73    H    GLU   9           H        GLU   9 -20.210  -5.387   3.767
   74    HA   GLU   9           HA       GLU   9 -17.462  -5.945   3.569
   75   1HB   GLU   9          1HB       GLU   9 -19.563  -6.643   2.088
   76   2HB   GLU   9          2HB       GLU   9 -19.011  -5.294   1.106
   77   1HG   GLU   9          1HG       GLU   9 -17.998  -7.189   0.184
   78   2HG   GLU   9          2HG       GLU   9 -16.732  -6.396   1.119
   79    H    ILE  10           H        ILE  10 -19.263  -3.029   3.170
   80    HA   ILE  10           HA       ILE  10 -17.362  -1.634   1.578
   81    HB   ILE  10           HB       ILE  10 -19.977  -1.154   2.604
   82   1HG1  ILE  10          1HG1      ILE  10 -18.860   0.930   0.897
   83   2HG1  ILE  10          2HG1      ILE  10 -18.513  -0.697   0.319
   84   1HG2  ILE  10          1HG2      ILE  10 -18.900   0.233   4.353
   85   2HG2  ILE  10          2HG2      ILE  10 -18.206   1.237   3.080
   86   3HG2  ILE  10          3HG2      ILE  10 -19.956   1.146   3.275
   87   1HD1  ILE  10          1HD1      ILE  10 -21.227  -0.643   1.084
   88   2HD1  ILE  10          2HD1      ILE  10 -20.917   0.797   0.114
   89   3HD1  ILE  10          3HD1      ILE  10 -20.545  -0.801  -0.535
   90    H    SER  11           H        SER  11 -18.110  -1.646   5.058
   91    HA   SER  11           HA       SER  11 -16.108   0.189   5.809
   92   1HB   SER  11          1HB       SER  11 -18.155  -0.812   7.143
   93   2HB   SER  11          2HB       SER  11 -16.956  -1.994   7.672
   94    HG   SER  11           HG       SER  11 -16.455  -0.518   9.079
   95    H    HIS  12           H        HIS  12 -16.032  -3.194   5.063
   96    HA   HIS  12           HA       HIS  12 -13.561  -3.764   6.357
   97   1HB   HIS  12          1HB       HIS  12 -14.351  -5.827   5.978
   98   2HB   HIS  12          2HB       HIS  12 -15.562  -5.204   4.872
   99    HD1  HIS  12           HD1      HIS  12 -11.935  -6.343   4.809
  100    HD2  HIS  12           HD2      HIS  12 -15.234  -6.017   2.308
  101    HE1  HIS  12           HE1      HIS  12 -11.252  -7.442   2.652
  102    HE2  HIS  12           HE2      HIS  12 -13.265  -7.235   1.151
  103    H    HIS  13           H        HIS  13 -14.466  -2.904   3.029
  104    HA   HIS  13           HA       HIS  13 -11.867  -3.106   1.947
  105   1HB   HIS  13          1HB       HIS  13 -14.031  -1.222   1.003
  106   2HB   HIS  13          2HB       HIS  13 -12.697  -1.875   0.061
  107    HD1  HIS  13           HD1      HIS  13 -13.042  -4.871   0.856
  108    HD2  HIS  13           HD2      HIS  13 -16.103  -2.341  -0.360
  109    HE1  HIS  13           HE1      HIS  13 -14.839  -6.379  -0.053
  110    HE2  HIS  13           HE2      HIS  13 -16.688  -4.827  -0.777
  111    H    ALA  14           H        ALA  14 -13.515  -0.631   3.760
  112    HA   ALA  14           HA       ALA  14 -11.805   1.537   3.169
  113   1HB   ALA  14          1HB       ALA  14 -13.006   1.416   5.866
  114   2HB   ALA  14          2HB       ALA  14 -14.123   1.322   4.505
  115   3HB   ALA  14          3HB       ALA  14 -13.041   2.706   4.663
  116    H    LYS  15           H        LYS  15 -11.856  -0.729   5.915
  117    HA   LYS  15           HA       LYS  15  -9.501   0.255   7.125
  118   1HB   LYS  15          1HB       LYS  15 -11.086  -2.278   7.354
  119   2HB   LYS  15          2HB       LYS  15  -9.513  -2.166   8.131
  120   1HG   LYS  15          1HG       LYS  15 -10.758   0.164   8.900
  121   2HG   LYS  15          2HG       LYS  15 -12.064  -1.023   8.911
  122   1HD   LYS  15          1HD       LYS  15 -11.011  -2.351  10.505
  123   2HD   LYS  15          2HD       LYS  15  -9.424  -1.649  10.181
  124   1HE   LYS  15          1HE       LYS  15 -11.602   0.098  11.232
  125   2HE   LYS  15          2HE       LYS  15 -10.772  -0.997  12.338
  126   1HZ   LYS  15          1HZ       LYS  15  -9.071   0.600  10.605
  127   2HZ   LYS  15          2HZ       LYS  15  -9.918   1.455  11.793
  128   3HZ   LYS  15          3HZ       LYS  15  -8.880   0.194  12.235
  129    H    GLU  16           H        GLU  16 -10.047  -1.770   4.397
  130    HA   GLU  16           HA       GLU  16  -7.499  -3.083   4.442
  131   1HB   GLU  16          1HB       GLU  16  -9.727  -2.869   2.439
  132   2HB   GLU  16          2HB       GLU  16  -8.183  -3.580   1.989
  133   1HG   GLU  16          1HG       GLU  16  -9.472  -4.588   4.455
  134   2HG   GLU  16          2HG       GLU  16 -10.213  -5.017   2.915
  135    H    ILE  17           H        ILE  17  -8.843  -0.201   2.908
  136    HA   ILE  17           HA       ILE  17  -6.580   0.243   1.220
  137    HB   ILE  17           HB       ILE  17  -7.617   2.192   0.494
  138   1HG1  ILE  17          1HG1      ILE  17  -9.663   3.034   2.064
  139   2HG1  ILE  17          2HG1      ILE  17  -8.567   2.423   3.296
  140   1HG2  ILE  17          1HG2      ILE  17  -9.130  -0.091   0.742
  141   2HG2  ILE  17          2HG2      ILE  17 -10.210   1.175   1.322
  142   3HG2  ILE  17          3HG2      ILE  17  -9.496   1.293  -0.284
  143   1HD1  ILE  17          1HD1      ILE  17  -6.874   3.887   1.772
  144   2HD1  ILE  17          2HD1      ILE  17  -8.372   4.804   1.610
  145   3HD1  ILE  17          3HD1      ILE  17  -7.703   4.481   3.210
  146    H    GLU  18           H        GLU  18  -7.500   1.271   4.446
  147    HA   GLU  18           HA       GLU  18  -5.378   3.179   4.713
  148   1HB   GLU  18          1HB       GLU  18  -7.055   1.840   6.846
  149   2HB   GLU  18          2HB       GLU  18  -6.024   3.245   7.081
  150   1HG   GLU  18          1HG       GLU  18  -7.438   4.642   5.890
  151   2HG   GLU  18          2HG       GLU  18  -8.229   3.301   5.065
  152    H    ARG  19           H        ARG  19  -5.879  -0.193   5.609
  153    HA   ARG  19           HA       ARG  19  -3.485  -0.466   7.110
  154   1HB   ARG  19          1HB       ARG  19  -5.434  -2.376   5.872
  155   2HB   ARG  19          2HB       ARG  19  -3.902  -2.980   6.492
  156   1HG   ARG  19          1HG       ARG  19  -5.397  -1.220   8.314
  157   2HG   ARG  19          2HG       ARG  19  -6.152  -2.775   7.955
  158   1HD   ARG  19          1HD       ARG  19  -3.590  -3.535   8.399
  159   2HD   ARG  19          2HD       ARG  19  -3.720  -2.155   9.489
  160    HE   ARG  19           HE       ARG  19  -4.931  -3.495  10.866
  161   1HH1  ARG  19          1HH1      ARG  19  -5.340  -4.641   7.603
  162   2HH1  ARG  19          2HH1      ARG  19  -6.352  -5.970   8.058
  163   1HH2  ARG  19          1HH2      ARG  19  -6.262  -5.244  11.477
  164   2HH2  ARG  19          2HH2      ARG  19  -6.876  -6.314  10.261
  165    H    LEU  20           H        LEU  20  -4.300  -0.813   3.713
  166    HA   LEU  20           HA       LEU  20  -1.902  -2.088   2.915
  167   1HB   LEU  20          1HB       LEU  20  -4.279  -1.243   1.686
  168   2HB   LEU  20          2HB       LEU  20  -2.999  -0.363   0.871
  169    HG   LEU  20           HG       LEU  20  -3.136  -3.366   1.166
  170   1HD1  LEU  20          1HD1      LEU  20  -4.754  -2.032  -0.416
  171   2HD1  LEU  20          2HD1      LEU  20  -3.319  -1.936  -1.437
  172   3HD1  LEU  20          3HD1      LEU  20  -3.960  -3.509  -0.961
  173   1HD2  LEU  20          1HD2      LEU  20  -0.883  -1.906   0.905
  174   2HD2  LEU  20          2HD2      LEU  20  -1.093  -3.521   0.230
  175   3HD2  LEU  20          3HD2      LEU  20  -1.334  -2.102  -0.789
  176    H    GLN  21           H        GLN  21  -2.928   1.299   3.042
  177    HA   GLN  21           HA       GLN  21  -0.678   2.472   1.896
  178   1HB   GLN  21          1HB       GLN  21  -2.747   3.701   2.386
  179   2HB   GLN  21          2HB       GLN  21  -2.431   3.556   4.109
  180   1HG   GLN  21          1HG       GLN  21  -0.765   5.121   4.081
  181   2HG   GLN  21          2HG       GLN  21  -0.370   4.829   2.388
  182   2HE2  GLN  21          2HE2      GLN  21  -1.882   5.616   0.782
  183   1HE2  GLN  21          1HE2      GLN  21  -2.803   7.040   1.112
  184    H    LYS  22           H        LYS  22  -1.312   1.617   5.283
  185    HA   LYS  22           HA       LYS  22   1.061   2.671   6.353
  186   1HB   LYS  22          1HB       LYS  22  -0.848   2.008   7.744
  187   2HB   LYS  22          2HB       LYS  22  -0.586   0.323   7.315
  188   1HG   LYS  22          1HG       LYS  22   1.861   1.235   8.318
  189   2HG   LYS  22          2HG       LYS  22   0.622   1.885   9.394
  190   1HD   LYS  22          1HD       LYS  22   0.978  -0.164  10.362
  191   2HD   LYS  22          2HD       LYS  22  -0.329  -0.564   9.243
  192   1HE   LYS  22          1HE       LYS  22   1.298  -1.375   7.619
  193   2HE   LYS  22          2HE       LYS  22   2.617  -0.943   8.708
  194   1HZ   LYS  22          1HZ       LYS  22   0.897  -2.542  10.167
  195   2HZ   LYS  22          2HZ       LYS  22   1.048  -3.297   8.661
  196   3HZ   LYS  22          3HZ       LYS  22   2.427  -2.956   9.579
  197    H    GLU  23           H        GLU  23   0.330  -0.410   4.836
  198    HA   GLU  23           HA       GLU  23   2.720  -1.741   5.540
  199   1HB   GLU  23          1HB       GLU  23   0.633  -2.826   4.669
  200   2HB   GLU  23          2HB       GLU  23   1.040  -2.206   3.074
  201   1HG   GLU  23          1HG       GLU  23   2.402  -3.905   2.696
  202   2HG   GLU  23          2HG       GLU  23   3.287  -3.594   4.189
  203    H    ILE  24           H        ILE  24   1.845   0.305   2.794
  204    HA   ILE  24           HA       ILE  24   4.178  -0.166   1.284
  205    HB   ILE  24           HB       ILE  24   3.470   1.424  -0.193
  206   1HG1  ILE  24          1HG1      ILE  24   1.995   3.438   0.632
  207   2HG1  ILE  24          2HG1      ILE  24   2.713   3.068   2.197
  208   1HG2  ILE  24          1HG2      ILE  24   1.580  -0.120   0.382
  209   2HG2  ILE  24          2HG2      ILE  24   0.900   1.191   1.342
  210   3HG2  ILE  24          3HG2      ILE  24   1.115   1.392  -0.394
  211   1HD1  ILE  24          1HD1      ILE  24   4.788   3.114   0.266
  212   2HD1  ILE  24          2HD1      ILE  24   3.805   4.566   0.064
  213   3HD1  ILE  24          3HD1      ILE  24   4.522   4.199   1.633
  214    H    GLU  25           H        GLU  25   3.407   2.188   3.792
  215    HA   GLU  25           HA       GLU  25   5.733   3.744   3.622
  216   1HB   GLU  25          1HB       GLU  25   3.505   3.449   5.432
  217   2HB   GLU  25          2HB       GLU  25   5.001   3.636   6.338
  218   1HG   GLU  25          1HG       GLU  25   4.619   5.820   6.090
  219   2HG   GLU  25          2HG       GLU  25   5.279   5.580   4.473
  220    H    ARG  26           H        ARG  26   5.014   0.785   5.417
  221    HA   ARG  26           HA       ARG  26   7.344   0.605   6.932
  222   1HB   ARG  26          1HB       ARG  26   5.337  -1.333   5.907
  223   2HB   ARG  26          2HB       ARG  26   6.869  -1.995   6.460
  224   1HG   ARG  26          1HG       ARG  26   5.520  -0.054   8.241
  225   2HG   ARG  26          2HG       ARG  26   4.785  -1.650   8.071
  226   1HD   ARG  26          1HD       ARG  26   7.349  -2.365   8.417
  227   2HD   ARG  26          2HD       ARG  26   7.341  -0.853   9.324
  228    HE   ARG  26           HE       ARG  26   5.133  -2.503  10.027
  229   1HH1  ARG  26          1HH1      ARG  26   8.556  -2.080  10.508
  230   2HH1  ARG  26          2HH1      ARG  26   8.565  -2.848  12.060
  231   1HH2  ARG  26          1HH2      ARG  26   5.132  -3.516  12.070
  232   2HH2  ARG  26          2HH2      ARG  26   6.618  -3.665  12.948
  233    H    HIS  27           H        HIS  27   6.664  -0.520   3.638
  234    HA   HIS  27           HA       HIS  27   9.202  -1.688   3.190
  235   1HB   HIS  27          1HB       HIS  27   6.793  -1.400   1.757
  236   2HB   HIS  27          2HB       HIS  27   8.038  -0.655   0.761
  237    HD1  HIS  27           HD1      HIS  27   9.898  -2.204  -0.169
  238    HD2  HIS  27           HD2      HIS  27   6.971  -4.172   2.028
  239    HE1  HIS  27           HE1      HIS  27  10.229  -4.651  -0.649
  240    HE2  HIS  27           HE2      HIS  27   8.447  -5.824   0.691
  241    H    LYS  28           H        LYS  28   7.988   1.557   3.040
  242    HA   LYS  28           HA       LYS  28  10.142   2.644   1.501
  243   1HB   LYS  28          1HB       LYS  28   7.799   3.625   1.787
  244   2HB   LYS  28          2HB       LYS  28   8.343   4.185   3.361
  245   1HG   LYS  28          1HG       LYS  28  10.338   5.083   1.737
  246   2HG   LYS  28          2HG       LYS  28   8.922   5.222   0.692
  247   1HD   LYS  28          1HD       LYS  28   8.808   7.245   1.742
  248   2HD   LYS  28          2HD       LYS  28   7.870   6.278   2.882
  249   1HE   LYS  28          1HE       LYS  28   9.438   6.424   4.494
  250   2HE   LYS  28          2HE       LYS  28  10.772   6.291   3.347
  251   1HZ   LYS  28          1HZ       LYS  28   9.162   8.759   3.512
  252   2HZ   LYS  28          2HZ       LYS  28  10.445   8.491   4.582
  253   3HZ   LYS  28          3HZ       LYS  28  10.732   8.554   2.916
  254    H    GLN  29           H        GLN  29   9.648   1.865   4.827
  255    HA   GLN  29           HA       GLN  29  11.719   3.605   5.821
  256   1HB   GLN  29          1HB       GLN  29   9.891   3.085   7.299
  257   2HB   GLN  29          2HB       GLN  29  10.157   1.359   7.100
  258   1HG   GLN  29          1HG       GLN  29  12.177   1.436   8.333
  259   2HG   GLN  29          2HG       GLN  29  12.199   3.199   8.311
  260   2HE2  GLN  29          2HE2      GLN  29  11.255   4.271   9.926
  261   1HE2  GLN  29          1HE2      GLN  29  10.304   3.552  11.177
  262    H    SER  30           H        SER  30  11.400   0.248   4.855
  263    HA   SER  30           HA       SER  30  13.989  -0.519   5.839
  264   1HB   SER  30          1HB       SER  30  11.770  -1.823   4.381
  265   2HB   SER  30          2HB       SER  30  13.378  -2.455   4.028
  266    HG   SER  30           HG       SER  30  12.640  -2.038   6.700
  267    H    ILE  31           H        ILE  31  12.642   0.545   2.775
  268    HA   ILE  31           HA       ILE  31  15.051   0.057   1.288
  269    HB   ILE  31           HB       ILE  31  12.827   0.031   0.218
  270   1HG1  ILE  31          1HG1      ILE  31  15.207   0.964  -0.787
  271   2HG1  ILE  31          2HG1      ILE  31  13.794   0.560  -1.745
  272   1HG2  ILE  31          1HG2      ILE  31  11.953   1.946   1.598
  273   2HG2  ILE  31          2HG2      ILE  31  12.803   3.024   0.492
  274   3HG2  ILE  31          3HG2      ILE  31  11.524   1.972  -0.112
  275   1HD1  ILE  31          1HD1      ILE  31  14.289   3.326  -0.693
  276   2HD1  ILE  31          2HD1      ILE  31  14.916   2.760  -2.241
  277   3HD1  ILE  31          3HD1      ILE  31  13.176   2.818  -1.963
  278    H    LYS  32           H        LYS  32  13.586   2.765   2.966
  279    HA   LYS  32           HA       LYS  32  15.443   4.705   1.945
  280   1HB   LYS  32          1HB       LYS  32  14.378   6.267   3.400
  281   2HB   LYS  32          2HB       LYS  32  13.114   5.237   2.742
  282   1HG   LYS  32          1HG       LYS  32  12.463   5.197   4.900
  283   2HG   LYS  32          2HG       LYS  32  13.634   3.880   4.979
  284   1HD   LYS  32          1HD       LYS  32  14.769   5.006   6.523
  285   2HD   LYS  32          2HD       LYS  32  15.061   6.292   5.350
  286   1HE   LYS  32          1HE       LYS  32  13.095   7.454   6.014
  287   2HE   LYS  32          2HE       LYS  32  12.541   6.090   6.984
  288   1HZ   LYS  32          1HZ       LYS  32  15.042   7.572   7.560
  289   2HZ   LYS  32          2HZ       LYS  32  13.553   7.972   8.255
  290   3HZ   LYS  32          3HZ       LYS  32  14.250   6.459   8.555
  291    H    LYS  33           H        LYS  33  15.259   2.556   4.677
  292    HA   LYS  33           HA       LYS  33  17.328   3.821   6.196
  293   1HB   LYS  33          1HB       LYS  33  15.718   2.458   7.359
  294   2HB   LYS  33          2HB       LYS  33  16.092   1.069   6.349
  295   1HG   LYS  33          1HG       LYS  33  17.892   0.507   7.564
  296   2HG   LYS  33          2HG       LYS  33  18.380   2.185   7.807
  297   1HD   LYS  33          1HD       LYS  33  15.904   1.467   9.187
  298   2HD   LYS  33          2HD       LYS  33  17.310   0.546   9.726
  299   1HE   LYS  33          1HE       LYS  33  18.370   3.019   9.645
  300   2HE   LYS  33          2HE       LYS  33  16.693   3.419  10.011
  301   1HZ   LYS  33          1HZ       LYS  33  17.121   1.438  11.735
  302   2HZ   LYS  33          2HZ       LYS  33  18.680   2.088  11.654
  303   3HZ   LYS  33          3HZ       LYS  33  17.379   3.068  12.109
  304    H    LEU  34           H        LEU  34  17.155   1.223   3.835
  305    HA   LEU  34           HA       LEU  34  19.820   0.311   4.148
  306   1HB   LEU  34          1HB       LEU  34  17.563  -0.288   2.492
  307   2HB   LEU  34          2HB       LEU  34  18.978  -0.108   1.472
  308    HG   LEU  34           HG       LEU  34  18.818  -1.955   3.855
  309   1HD1  LEU  34          1HD1      LEU  34  17.314  -2.509   1.891
  310   2HD1  LEU  34          2HD1      LEU  34  18.792  -2.746   0.957
  311   3HD1  LEU  34          3HD1      LEU  34  18.473  -3.748   2.373
  312   1HD2  LEU  34          1HD2      LEU  34  21.047  -0.915   2.717
  313   2HD2  LEU  34          2HD2      LEU  34  20.971  -2.493   3.499
  314   3HD2  LEU  34          3HD2      LEU  34  20.819  -2.369   1.746
  315    H    LYS  35           H        LYS  35  18.295   2.668   1.983
  316    HA   LYS  35           HA       LYS  35  20.555   3.254   0.425
  317   1HB   LYS  35          1HB       LYS  35  17.984   4.620   1.037
  318   2HB   LYS  35          2HB       LYS  35  19.266   5.605   0.352
  319   1HG   LYS  35          1HG       LYS  35  17.885   3.235  -0.861
  320   2HG   LYS  35          2HG       LYS  35  17.964   4.891  -1.459
  321   1HD   LYS  35          1HD       LYS  35  20.484   4.518  -1.648
  322   2HD   LYS  35          2HD       LYS  35  20.123   2.804  -1.437
  323   1HE   LYS  35          1HE       LYS  35  20.150   3.049  -3.745
  324   2HE   LYS  35          2HE       LYS  35  18.434   3.154  -3.354
  325   1HZ   LYS  35          1HZ       LYS  35  20.177   5.531  -3.682
  326   2HZ   LYS  35          2HZ       LYS  35  19.264   4.867  -4.943
  327   3HZ   LYS  35          3HZ       LYS  35  18.489   5.498  -3.579
  328    H    GLN  36           H        GLN  36  19.370   4.650   3.452
  329    HA   GLN  36           HA       GLN  36  21.295   6.706   3.639
  330   1HB   GLN  36          1HB       GLN  36  19.061   5.990   5.061
  331   2HB   GLN  36          2HB       GLN  36  20.352   5.599   6.189
  332   1HG   GLN  36          1HG       GLN  36  21.178   8.020   5.472
  333   2HG   GLN  36          2HG       GLN  36  19.455   8.223   5.159
  334   2HE2  GLN  36          2HE2      GLN  36  18.027   8.267   6.852
  335   1HE2  GLN  36          1HE2      GLN  36  18.523   8.357   8.505
  336    H    SER  37           H        SER  37  21.301   3.335   4.611
  337    HA   SER  37           HA       SER  37  23.632   3.455   6.225
  338   1HB   SER  37          1HB       SER  37  21.727   1.540   5.690
  339   2HB   SER  37          2HB       SER  37  23.151   0.894   4.875
  340    HG   SER  37           HG       SER  37  24.213   0.800   6.772
  341    H    GLU  38           H        GLU  38  23.087   3.221   2.806
  342    HA   GLU  38           HA       GLU  38  25.643   2.210   2.084
  343   1HB   GLU  38          1HB       GLU  38  23.256   3.132   0.734
  344   2HB   GLU  38          2HB       GLU  38  24.698   3.753  -0.058
  345   1HG   GLU  38          1HG       GLU  38  25.559   1.375  -0.050
  346   2HG   GLU  38          2HG       GLU  38  23.930   0.892   0.420
  347    H    ASP  39           H        ASP  39  24.383   5.398   2.744
  348    HA   ASP  39           HA       ASP  39  26.525   6.867   1.594
  349   1HB   ASP  39          1HB       ASP  39  24.175   7.444   3.266
  350   2HB   ASP  39          2HB       ASP  39  25.541   8.519   3.542
  351    H    ASP  40           H        ASP  40  26.086   5.213   4.603
  352    HA   ASP  40           HA       ASP  40  28.267   6.565   5.933
  353   1HB   ASP  40          1HB       ASP  40  26.776   4.066   6.762
  354   2HB   ASP  40          2HB       ASP  40  27.829   5.042   7.782
  355    H    ASP  41           H        ASP  41  29.643   4.613   7.206
  356    HA   ASP  41           HA       ASP  41  31.305   3.585   5.072
  357   1HB   ASP  41          1HB       ASP  41  31.567   3.790   8.054
  358   2HB   ASP  41          2HB       ASP  41  32.638   2.722   7.151
  359    H1   ALA   1           H1       ALA   1  35.114  -3.967  -0.514
  360    H2   ALA   1           H2       ALA   1  36.431  -3.018   0.043
  361    H3   ALA   1           H3       ALA   1  35.541  -3.986   1.146
  362    HA   ALA   1           HA       ALA   1  33.851  -2.585   1.269
  363   1HB   ALA   1          1HB       ALA   1  35.525  -1.237   2.138
  364   2HB   ALA   1          2HB       ALA   1  36.286  -0.994   0.566
  365   3HB   ALA   1          3HB       ALA   1  34.763  -0.188   0.942
  366    H    LEU   2           H        LEU   2  32.634  -3.471  -0.577
  367    HA   LEU   2           HA       LEU   2  32.222  -1.386  -2.601
  368   1HB   LEU   2          1HB       LEU   2  33.456  -3.770  -3.187
  369   2HB   LEU   2          2HB       LEU   2  31.784  -4.107  -3.587
  370    HG   LEU   2           HG       LEU   2  31.929  -1.867  -4.924
  371   1HD1  LEU   2          1HD1      LEU   2  34.138  -1.237  -4.060
  372   2HD1  LEU   2          2HD1      LEU   2  34.831  -2.673  -4.815
  373   3HD1  LEU   2          3HD1      LEU   2  34.133  -1.400  -5.817
  374   1HD2  LEU   2          1HD2      LEU   2  32.015  -4.491  -5.600
  375   2HD2  LEU   2          2HD2      LEU   2  31.982  -3.161  -6.758
  376   3HD2  LEU   2          3HD2      LEU   2  33.518  -3.905  -6.312
  377    H    LYS   3           H        LYS   3  30.866  -4.575  -1.744
  378    HA   LYS   3           HA       LYS   3  28.721  -5.268  -1.427
  379   1HB   LYS   3          1HB       LYS   3  28.941  -2.686   0.014
  380   2HB   LYS   3          2HB       LYS   3  27.316  -3.308  -0.236
  381   1HG   LYS   3          1HG       LYS   3  27.564  -4.707   1.456
  382   2HG   LYS   3          2HG       LYS   3  28.971  -5.434   0.681
  383   1HD   LYS   3          1HD       LYS   3  30.324  -3.515   1.610
  384   2HD   LYS   3          2HD       LYS   3  28.903  -3.084   2.564
  385   1HE   LYS   3          1HE       LYS   3  29.462  -5.888   2.833
  386   2HE   LYS   3          2HE       LYS   3  30.908  -4.947   3.200
  387   1HZ   LYS   3          1HZ       LYS   3  28.232  -4.557   4.432
  388   2HZ   LYS   3          2HZ       LYS   3  29.561  -5.300   5.172
  389   3HZ   LYS   3          3HZ       LYS   3  29.619  -3.654   4.785
  390    H    LYS   4           H        LYS   4  28.918  -4.785  -3.956
  391    HA   LYS   4           HA       LYS   4  27.235  -2.709  -4.960
  392   1HB   LYS   4          1HB       LYS   4  29.163  -4.251  -6.068
  393   2HB   LYS   4          2HB       LYS   4  27.728  -5.078  -6.659
  394   1HG   LYS   4          1HG       LYS   4  27.162  -2.423  -7.122
  395   2HG   LYS   4          2HG       LYS   4  28.889  -2.544  -7.470
  396   1HD   LYS   4          1HD       LYS   4  28.017  -4.754  -8.723
  397   2HD   LYS   4          2HD       LYS   4  26.577  -3.745  -8.867
  398   1HE   LYS   4          1HE       LYS   4  27.639  -2.178 -10.172
  399   2HE   LYS   4          2HE       LYS   4  29.235  -2.572  -9.533
  400   1HZ   LYS   4          1HZ       LYS   4  28.720  -4.839 -10.733
  401   2HZ   LYS   4          2HZ       LYS   4  27.723  -3.857 -11.682
  402   3HZ   LYS   4          3HZ       LYS   4  29.378  -3.527 -11.575
  403    H    HIS   5           H        HIS   5  26.788  -6.075  -4.105
  404    HA   HIS   5           HA       HIS   5  24.342  -6.556  -5.370
  405   1HB   HIS   5          1HB       HIS   5  24.079  -8.405  -3.855
  406   2HB   HIS   5          2HB       HIS   5  25.786  -8.278  -4.266
  407    HD1  HIS   5           HD1      HIS   5  24.012  -9.215  -1.518
  408    HD2  HIS   5           HD2      HIS   5  26.861  -6.237  -2.047
  409    HE1  HIS   5           HE1      HIS   5  24.934  -8.752   0.776
  410    HE2  HIS   5           HE2      HIS   5  26.657  -6.945   0.433
  411    H    HIS   6           H        HIS   6  25.115  -4.803  -2.462
  412    HA   HIS   6           HA       HIS   6  22.592  -4.780  -1.243
  413   1HB   HIS   6          1HB       HIS   6  25.094  -3.282  -1.000
  414   2HB   HIS   6          2HB       HIS   6  23.672  -2.317  -0.618
  415    HD1  HIS   6           HD1      HIS   6  24.162  -5.986   0.186
  416    HD2  HIS   6           HD2      HIS   6  23.821  -2.319   2.110
  417    HE1  HIS   6           HE1      HIS   6  24.037  -6.523   2.641
  418    HE2  HIS   6           HE2      HIS   6  23.831  -4.289   3.786
  419    H    GLU   7           H        GLU   7  23.968  -2.781  -3.793
  420    HA   GLU   7           HA       GLU   7  21.926  -0.836  -3.864
  421   1HB   GLU   7          1HB       GLU   7  23.996  -1.768  -5.828
  422   2HB   GLU   7          2HB       GLU   7  22.762  -0.617  -6.325
  423   1HG   GLU   7          1HG       GLU   7  23.486   0.815  -4.383
  424   2HG   GLU   7          2HG       GLU   7  24.859  -0.275  -4.203
  425    H    ASN   8           H        ASN   8  22.141  -4.072  -5.072
  426    HA   ASN   8           HA       ASN   8  20.038  -3.867  -6.993
  427   1HB   ASN   8          1HB       ASN   8  21.943  -5.784  -6.328
  428   2HB   ASN   8          2HB       ASN   8  20.413  -6.532  -5.879
  429   2HD2  ASN   8          2HD2      ASN   8  20.729  -8.052  -7.550
  430   1HD2  ASN   8          1HD2      ASN   8  20.415  -7.641  -9.198
  431    H    GLU   9           H        GLU   9  20.206  -5.382  -3.765
  432    HA   GLU   9           HA       GLU   9  17.459  -5.937  -3.560
  433   1HB   GLU   9          1HB       GLU   9  19.566  -6.626  -2.078
  434   2HB   GLU   9          2HB       GLU   9  19.004  -5.277  -1.099
  435   1HG   GLU   9          1HG       GLU   9  18.001  -7.180  -0.178
  436   2HG   GLU   9          2HG       GLU   9  16.733  -6.390  -1.113
  437    H    ILE  10           H        ILE  10  19.262  -3.020  -3.176
  438    HA   ILE  10           HA       ILE  10  17.367  -1.616  -1.586
  439    HB   ILE  10           HB       ILE  10  19.978  -1.141  -2.618
  440   1HG1  ILE  10          1HG1      ILE  10  18.883   0.969  -0.939
  441   2HG1  ILE  10          2HG1      ILE  10  18.501  -0.643  -0.341
  442   1HG2  ILE  10          1HG2      ILE  10  18.916   0.224  -4.385
  443   2HG2  ILE  10          2HG2      ILE  10  18.196   1.234  -3.132
  444   3HG2  ILE  10          3HG2      ILE  10  19.950   1.159  -3.305
  445   1HD1  ILE  10          1HD1      ILE  10  21.225  -0.632  -1.101
  446   2HD1  ILE  10          2HD1      ILE  10  20.925   0.805  -0.123
  447   3HD1  ILE  10          3HD1      ILE  10  20.530  -0.791   0.513
  448    H    SER  11           H        SER  11  18.106  -1.640  -5.066
  449    HA   SER  11           HA       SER  11  16.099   0.188  -5.820
  450   1HB   SER  11          1HB       SER  11  18.144  -0.816  -7.154
  451   2HB   SER  11          2HB       SER  11  16.948  -2.000  -7.677
  452    HG   SER  11           HG       SER  11  16.446  -0.529  -9.090
  453    H    HIS  12           H        HIS  12  16.027  -3.193  -5.062
  454    HA   HIS  12           HA       HIS  12  13.554  -3.767  -6.352
  455   1HB   HIS  12          1HB       HIS  12  14.346  -5.829  -5.972
  456   2HB   HIS  12          2HB       HIS  12  15.559  -5.204  -4.868
  457    HD1  HIS  12           HD1      HIS  12  11.932  -6.345  -4.800
  458    HD2  HIS  12           HD2      HIS  12  15.234  -6.013  -2.302
  459    HE1  HIS  12           HE1      HIS  12  11.253  -7.442  -2.640
  460    HE2  HIS  12           HE2      HIS  12  13.267  -7.230  -1.141
  461    H    HIS  13           H        HIS  13  14.463  -2.900  -3.027
  462    HA   HIS  13           HA       HIS  13  11.865  -3.105  -1.942
  463   1HB   HIS  13          1HB       HIS  13  14.030  -1.220  -1.001
  464   2HB   HIS  13          2HB       HIS  13  12.695  -1.871  -0.058
  465    HD1  HIS  13           HD1      HIS  13  13.043  -4.869  -0.854
  466    HD2  HIS  13           HD2      HIS  13  16.099  -2.336   0.369
  467    HE1  HIS  13           HE1      HIS  13  14.839  -6.375   0.057
  468    HE2  HIS  13           HE2      HIS  13  16.685  -4.822   0.786
  469    H    ALA  14           H        ALA  14  13.507  -0.632  -3.762
  470    HA   ALA  14           HA       ALA  14  11.794   1.535  -3.169
  471   1HB   ALA  14          1HB       ALA  14  14.114   1.326  -4.502
  472   2HB   ALA  14          2HB       ALA  14  12.999   1.417  -5.865
  473   3HB   ALA  14          3HB       ALA  14  13.029   2.707  -4.662
  474    H    LYS  15           H        LYS  15  11.851  -0.728  -5.918
  475    HA   LYS  15           HA       LYS  15   9.499   0.252  -7.130
  476   1HB   LYS  15          1HB       LYS  15  11.084  -2.280  -7.351
  477   2HB   LYS  15          2HB       LYS  15   9.509  -2.177  -8.126
  478   1HG   LYS  15          1HG       LYS  15  10.749   0.154  -8.908
  479   2HG   LYS  15          2HG       LYS  15  12.057  -1.030  -8.916
  480   1HD   LYS  15          1HD       LYS  15  11.002  -2.368 -10.502
  481   2HD   LYS  15          2HD       LYS  15   9.416  -1.665 -10.180
  482   1HE   LYS  15          1HE       LYS  15  11.591   0.075 -11.241
  483   2HE   LYS  15          2HE       LYS  15  10.761  -1.024 -12.341
  484   1HZ   LYS  15          1HZ       LYS  15   9.061   0.580 -10.614
  485   2HZ   LYS  15          2HZ       LYS  15   9.907   1.430 -11.807
  486   3HZ   LYS  15          3HZ       LYS  15   8.868   0.167 -12.243
  487    H    GLU  16           H        GLU  16  10.041  -1.776  -4.402
  488    HA   GLU  16           HA       GLU  16   7.495  -3.087  -4.443
  489   1HB   GLU  16          1HB       GLU  16   9.715  -2.853  -2.435
  490   2HB   GLU  16          2HB       GLU  16   8.172  -3.565  -1.984
  491   1HG   GLU  16          1HG       GLU  16   9.472  -4.586  -4.439
  492   2HG   GLU  16          2HG       GLU  16  10.206  -5.004  -2.891
  493    H    ILE  17           H        ILE  17   8.835  -0.209  -2.888
  494    HA   ILE  17           HA       ILE  17   6.564   0.248  -1.223
  495    HB   ILE  17           HB       ILE  17   7.596   2.200  -0.506
  496   1HG1  ILE  17          1HG1      ILE  17   9.643   3.040  -2.072
  497   2HG1  ILE  17          2HG1      ILE  17   8.553   2.421  -3.305
  498   1HG2  ILE  17          1HG2      ILE  17   9.116  -0.082  -0.750
  499   2HG2  ILE  17          2HG2      ILE  17  10.194   1.195  -1.315
  500   3HG2  ILE  17          3HG2      ILE  17   9.465   1.300   0.286
  501   1HD1  ILE  17          1HD1      ILE  17   6.853   3.888  -1.790
  502   2HD1  ILE  17          2HD1      ILE  17   8.348   4.811  -1.633
  503   3HD1  ILE  17          3HD1      ILE  17   7.681   4.476  -3.232
  504    H    GLU  18           H        GLU  18   7.491   1.268  -4.452
  505    HA   GLU  18           HA       GLU  18   5.375   3.173  -4.740
  506   1HB   GLU  18          1HB       GLU  18   7.052   1.803  -6.851
  507   2HB   GLU  18          2HB       GLU  18   6.016   3.199  -7.114
  508   1HG   GLU  18          1HG       GLU  18   7.418   4.622  -5.933
  509   2HG   GLU  18          2HG       GLU  18   8.221   3.294  -5.097
  510    H    ARG  19           H        ARG  19   5.855  -0.210  -5.608
  511    HA   ARG  19           HA       ARG  19   3.450  -0.481  -7.095
  512   1HB   ARG  19          1HB       ARG  19   5.397  -2.397  -5.859
  513   2HB   ARG  19          2HB       ARG  19   3.866  -2.993  -6.488
  514   1HG   ARG  19          1HG       ARG  19   5.369  -1.233  -8.299
  515   2HG   ARG  19          2HG       ARG  19   6.127  -2.784  -7.938
  516   1HD   ARG  19          1HD       ARG  19   3.568  -3.552  -8.394
  517   2HD   ARG  19          2HD       ARG  19   3.700  -2.172  -9.483
  518    HE   ARG  19           HE       ARG  19   4.920  -3.509 -10.854
  519   1HH1  ARG  19          1HH1      ARG  19   5.323  -4.649  -7.589
  520   2HH1  ARG  19          2HH1      ARG  19   6.338  -5.978  -8.039
  521   1HH2  ARG  19          1HH2      ARG  19   6.257  -5.256 -11.460
  522   2HH2  ARG  19          2HH2      ARG  19   6.870  -6.322 -10.241
  523    H    LEU  20           H        LEU  20   4.278  -0.759  -3.708
  524    HA   LEU  20           HA       LEU  20   1.880  -2.044  -2.885
  525   1HB   LEU  20          1HB       LEU  20   4.292  -1.278  -1.694
  526   2HB   LEU  20          2HB       LEU  20   3.062  -0.361  -0.850
  527    HG   LEU  20           HG       LEU  20   3.127  -3.363  -1.148
  528   1HD1  LEU  20          1HD1      LEU  20   4.740  -2.034   0.450
  529   2HD1  LEU  20          2HD1      LEU  20   3.296  -1.940   1.457
  530   3HD1  LEU  20          3HD1      LEU  20   3.939  -3.512   0.982
  531   1HD2  LEU  20          1HD2      LEU  20   0.888  -1.881  -0.913
  532   2HD2  LEU  20          2HD2      LEU  20   1.074  -3.495  -0.227
  533   3HD2  LEU  20          3HD2      LEU  20   1.320  -2.071   0.786
  534    H    GLN  21           H        GLN  21   2.914   1.317  -3.169
  535    HA   GLN  21           HA       GLN  21   0.695   2.511  -1.920
  536   1HB   GLN  21          1HB       GLN  21   2.761   3.736  -2.418
  537   2HB   GLN  21          2HB       GLN  21   2.443   3.586  -4.141
  538   1HG   GLN  21          1HG       GLN  21   0.792   5.162  -4.119
  539   2HG   GLN  21          2HG       GLN  21   0.381   4.868  -2.429
  540   2HE2  GLN  21          2HE2      GLN  21   1.887   5.642  -0.810
  541   1HE2  GLN  21          1HE2      GLN  21   2.814   7.065  -1.128
  542    H    LYS  22           H        LYS  22   1.299   1.619  -5.294
  543    HA   LYS  22           HA       LYS  22  -1.075   2.688  -6.364
  544   1HB   LYS  22          1HB       LYS  22   0.823   2.034  -7.765
  545   2HB   LYS  22          2HB       LYS  22   0.585   0.348  -7.323
  546   1HG   LYS  22          1HG       LYS  22  -1.879   1.225  -8.318
  547   2HG   LYS  22          2HG       LYS  22  -0.653   1.879  -9.407
  548   1HD   LYS  22          1HD       LYS  22  -0.980  -0.180 -10.357
  549   2HD   LYS  22          2HD       LYS  22   0.321  -0.564  -9.228
  550   1HE   LYS  22          1HE       LYS  22  -1.305  -1.378  -7.610
  551   2HE   LYS  22          2HE       LYS  22  -2.624  -0.950  -8.698
  552   1HZ   LYS  22          1HZ       LYS  22  -0.904  -2.551 -10.155
  553   2HZ   LYS  22          2HZ       LYS  22  -1.054  -3.303  -8.649
  554   3HZ   LYS  22          3HZ       LYS  22  -2.435  -2.964  -9.566
  555    H    GLU  23           H        GLU  23  -0.331  -0.403  -4.865
  556    HA   GLU  23           HA       GLU  23  -2.724  -1.733  -5.558
  557   1HB   GLU  23          1HB       GLU  23  -0.641  -2.828  -4.703
  558   2HB   GLU  23          2HB       GLU  23  -1.021  -2.197  -3.106
  559   1HG   GLU  23          1HG       GLU  23  -2.397  -3.879  -2.698
  560   2HG   GLU  23          2HG       GLU  23  -3.287  -3.584  -4.191
  561    H    ILE  24           H        ILE  24  -1.834   0.303  -2.812
  562    HA   ILE  24           HA       ILE  24  -4.158  -0.165  -1.286
  563    HB   ILE  24           HB       ILE  24  -3.431   1.418   0.186
  564   1HG1  ILE  24          1HG1      ILE  24  -1.997   3.454  -0.636
  565   2HG1  ILE  24          2HG1      ILE  24  -2.708   3.082  -2.203
  566   1HG2  ILE  24          1HG2      ILE  24  -1.430  -0.031  -0.937
  567   2HG2  ILE  24          2HG2      ILE  24  -0.786   1.606  -1.041
  568   3HG2  ILE  24          3HG2      ILE  24  -1.277   0.951   0.518
  569   1HD1  ILE  24          1HD1      ILE  24  -4.787   3.093  -0.273
  570   2HD1  ILE  24          2HD1      ILE  24  -3.823   4.558  -0.069
  571   3HD1  ILE  24          3HD1      ILE  24  -4.536   4.185  -1.638
  572    H    GLU  25           H        GLU  25  -3.399   2.194  -3.795
  573    HA   GLU  25           HA       GLU  25  -5.728   3.744  -3.621
  574   1HB   GLU  25          1HB       GLU  25  -3.501   3.456  -5.432
  575   2HB   GLU  25          2HB       GLU  25  -4.997   3.637  -6.338
  576   1HG   GLU  25          1HG       GLU  25  -4.630   5.823  -6.091
  577   2HG   GLU  25          2HG       GLU  25  -5.280   5.581  -4.470
  578    H    ARG  26           H        ARG  26  -5.011   0.782  -5.412
  579    HA   ARG  26           HA       ARG  26  -7.339   0.605  -6.930
  580   1HB   ARG  26          1HB       ARG  26  -5.333  -1.332  -5.904
  581   2HB   ARG  26          2HB       ARG  26  -6.867  -1.996  -6.449
  582   1HG   ARG  26          1HG       ARG  26  -5.526  -0.064  -8.242
  583   2HG   ARG  26          2HG       ARG  26  -4.789  -1.658  -8.068
  584   1HD   ARG  26          1HD       ARG  26  -7.353  -2.376  -8.402
  585   2HD   ARG  26          2HD       ARG  26  -7.348  -0.868  -9.316
  586    HE   ARG  26           HE       ARG  26  -5.141  -2.522 -10.017
  587   1HH1  ARG  26          1HH1      ARG  26  -8.564  -2.098 -10.494
  588   2HH1  ARG  26          2HH1      ARG  26  -8.576  -2.872 -12.043
  589   1HH2  ARG  26          1HH2      ARG  26  -5.144  -3.542 -12.057
  590   2HH2  ARG  26          2HH2      ARG  26  -6.632  -3.694 -12.932
  591    H    HIS  27           H        HIS  27  -6.663  -0.526  -3.638
  592    HA   HIS  27           HA       HIS  27  -9.201  -1.686  -3.189
  593   1HB   HIS  27          1HB       HIS  27  -6.793  -1.402  -1.757
  594   2HB   HIS  27          2HB       HIS  27  -8.034  -0.648  -0.761
  595    HD1  HIS  27           HD1      HIS  27  -9.895  -2.187   0.181
  596    HD2  HIS  27           HD2      HIS  27  -6.985  -4.175  -2.022
  597    HE1  HIS  27           HE1      HIS  27 -10.234  -4.631   0.668
  598    HE2  HIS  27           HE2      HIS  27  -8.462  -5.816  -0.676
  599    H    LYS  28           H        LYS  28  -7.990   1.560  -3.047
  600    HA   LYS  28           HA       LYS  28 -10.141   2.649  -1.507
  601   1HB   LYS  28          1HB       LYS  28  -7.800   3.630  -1.801
  602   2HB   LYS  28          2HB       LYS  28  -8.348   4.186  -3.376
  603   1HG   LYS  28          1HG       LYS  28 -10.339   5.087  -1.751
  604   2HG   LYS  28          2HG       LYS  28  -8.922   5.229  -0.708
  605   1HD   LYS  28          1HD       LYS  28  -8.809   7.249  -1.762
  606   2HD   LYS  28          2HD       LYS  28  -7.873   6.282  -2.902
  607   1HE   LYS  28          1HE       LYS  28  -9.444   6.424  -4.510
  608   2HE   LYS  28          2HE       LYS  28 -10.775   6.294  -3.362
  609   1HZ   LYS  28          1HZ       LYS  28  -9.164   8.760  -3.535
  610   2HZ   LYS  28          2HZ       LYS  28 -10.448   8.492  -4.602
  611   3HZ   LYS  28          3HZ       LYS  28 -10.733   8.559  -2.936
  612    H    GLN  29           H        GLN  29  -9.645   1.873  -4.834
  613    HA   GLN  29           HA       GLN  29 -11.724   3.603  -5.829
  614   1HB   GLN  29          1HB       GLN  29  -9.898   3.086  -7.309
  615   2HB   GLN  29          2HB       GLN  29 -10.156   1.359  -7.105
  616   1HG   GLN  29          1HG       GLN  29 -12.179   1.425  -8.334
  617   2HG   GLN  29          2HG       GLN  29 -12.204   3.188  -8.321
  618   2HE2  GLN  29          2HE2      GLN  29 -11.261   4.255  -9.940
  619   1HE2  GLN  29          1HE2      GLN  29 -10.310   3.532 -11.188
  620    H    SER  30           H        SER  30 -11.397   0.252  -4.849
  621    HA   SER  30           HA       SER  30 -13.980  -0.531  -5.832
  622   1HB   SER  30          1HB       SER  30 -11.858  -1.829  -4.157
  623   2HB   SER  30          2HB       SER  30 -13.475  -2.533  -4.203
  624    HG   SER  30           HG       SER  30 -13.085  -2.239  -6.642
  625    H    ILE  31           H        ILE  31 -12.639   0.547  -2.770
  626    HA   ILE  31           HA       ILE  31 -15.052   0.057  -1.287
  627    HB   ILE  31           HB       ILE  31 -12.830   0.029  -0.211
  628   1HG1  ILE  31          1HG1      ILE  31 -15.213   0.963   0.787
  629   2HG1  ILE  31          2HG1      ILE  31 -13.803   0.560   1.750
  630   1HG2  ILE  31          1HG2      ILE  31 -11.950   1.944  -1.588
  631   2HG2  ILE  31          2HG2      ILE  31 -12.805   3.023  -0.487
  632   3HG2  ILE  31          3HG2      ILE  31 -11.529   1.971   0.124
  633   1HD1  ILE  31          1HD1      ILE  31 -14.298   3.325   0.695
  634   2HD1  ILE  31          2HD1      ILE  31 -14.925   2.758   2.244
  635   3HD1  ILE  31          3HD1      ILE  31 -13.184   2.819   1.966
  636    H    LYS  32           H        LYS  32 -13.596   2.756  -2.980
  637    HA   LYS  32           HA       LYS  32 -15.451   4.698  -1.957
  638   1HB   LYS  32          1HB       LYS  32 -14.388   6.258  -3.415
  639   2HB   LYS  32          2HB       LYS  32 -13.123   5.232  -2.756
  640   1HG   LYS  32          1HG       LYS  32 -12.471   5.185  -4.913
  641   2HG   LYS  32          2HG       LYS  32 -13.644   3.869  -4.990
  642   1HD   LYS  32          1HD       LYS  32 -14.775   4.995  -6.537
  643   2HD   LYS  32          2HD       LYS  32 -15.069   6.281  -5.365
  644   1HE   LYS  32          1HE       LYS  32 -13.102   7.444  -6.027
  645   2HE   LYS  32          2HE       LYS  32 -12.547   6.079  -6.996
  646   1HZ   LYS  32          1HZ       LYS  32 -15.048   7.563  -7.575
  647   2HZ   LYS  32          2HZ       LYS  32 -13.558   7.959  -8.270
  648   3HZ   LYS  32          3HZ       LYS  32 -14.256   6.446  -8.568
  649    H    LYS  33           H        LYS  33 -15.261   2.544  -4.685
  650    HA   LYS  33           HA       LYS  33 -17.328   3.797  -6.214
  651   1HB   LYS  33          1HB       LYS  33 -15.715   2.418  -7.357
  652   2HB   LYS  33          2HB       LYS  33 -16.104   1.037  -6.340
  653   1HG   LYS  33          1HG       LYS  33 -17.888   0.472  -7.570
  654   2HG   LYS  33          2HG       LYS  33 -18.383   2.149  -7.806
  655   1HD   LYS  33          1HD       LYS  33 -15.904   1.449  -9.187
  656   2HD   LYS  33          2HD       LYS  33 -17.304   0.521  -9.730
  657   1HE   LYS  33          1HE       LYS  33 -18.376   2.991  -9.638
  658   2HE   LYS  33          2HE       LYS  33 -16.700   3.396 -10.010
  659   1HZ   LYS  33          1HZ       LYS  33 -17.133   1.415 -11.735
  660   2HZ   LYS  33          2HZ       LYS  33 -18.692   2.067 -11.647
  661   3HZ   LYS  33          3HZ       LYS  33 -17.390   3.046 -12.105
  662    H    LEU  34           H        LEU  34 -17.167   1.194  -3.850
  663    HA   LEU  34           HA       LEU  34 -19.845   0.309  -4.155
  664   1HB   LEU  34          1HB       LEU  34 -17.577  -0.328  -2.528
  665   2HB   LEU  34          2HB       LEU  34 -18.979  -0.145  -1.491
  666    HG   LEU  34           HG       LEU  34 -18.858  -1.973  -3.890
  667   1HD1  LEU  34          1HD1      LEU  34 -17.342  -2.551  -1.940
  668   2HD1  LEU  34          2HD1      LEU  34 -18.815  -2.787  -1.000
  669   3HD1  LEU  34          3HD1      LEU  34 -18.511  -3.780  -2.425
  670   1HD2  LEU  34          1HD2      LEU  34 -21.069  -0.923  -2.734
  671   2HD2  LEU  34          2HD2      LEU  34 -21.010  -2.505  -3.513
  672   3HD2  LEU  34          3HD2      LEU  34 -20.843  -2.378  -1.762
  673    H    LYS  35           H        LYS  35 -18.273   2.631  -2.005
  674    HA   LYS  35           HA       LYS  35 -20.513   3.221  -0.409
  675   1HB   LYS  35          1HB       LYS  35 -17.878   3.932  -0.383
  676   2HB   LYS  35          2HB       LYS  35 -18.622   5.429  -0.922
  677   1HG   LYS  35          1HG       LYS  35 -18.244   5.179   1.559
  678   2HG   LYS  35          2HG       LYS  35 -19.866   5.650   1.057
  679   1HD   LYS  35          1HD       LYS  35 -20.791   3.721   1.788
  680   2HD   LYS  35          2HD       LYS  35 -19.392   2.751   1.322
  681   1HE   LYS  35          1HE       LYS  35 -19.919   3.014   3.824
  682   2HE   LYS  35          2HE       LYS  35 -18.252   3.228   3.293
  683   1HZ   LYS  35          1HZ       LYS  35 -20.100   5.518   3.592
  684   2HZ   LYS  35          2HZ       LYS  35 -19.183   4.938   4.890
  685   3HZ   LYS  35          3HZ       LYS  35 -18.411   5.536   3.510
  686    H    GLN  36           H        GLN  36 -19.372   4.534  -3.470
  687    HA   GLN  36           HA       GLN  36 -21.232   6.686  -3.576
  688   1HB   GLN  36          1HB       GLN  36 -19.004   6.028  -4.994
  689   2HB   GLN  36          2HB       GLN  36 -20.265   5.583  -6.136
  690   1HG   GLN  36          1HG       GLN  36 -21.171   7.991  -5.441
  691   2HG   GLN  36          2HG       GLN  36 -19.452   8.243  -5.144
  692   2HE2  GLN  36          2HE2      GLN  36 -18.028   8.261  -6.854
  693   1HE2  GLN  36          1HE2      GLN  36 -18.543   8.327  -8.502
  694    H    SER  37           H        SER  37 -21.295   3.333  -4.574
  695    HA   SER  37           HA       SER  37 -23.614   3.505  -6.205
  696   1HB   SER  37          1HB       SER  37 -21.738   1.561  -5.702
  697   2HB   SER  37          2HB       SER  37 -23.162   0.924  -4.879
  698    HG   SER  37           HG       SER  37 -24.217   0.796  -6.757
  699    H    GLU  38           H        GLU  38 -23.082   3.221  -2.789
  700    HA   GLU  38           HA       GLU  38 -25.640   2.225  -2.073
  701   1HB   GLU  38          1HB       GLU  38 -23.258   3.151  -0.719
  702   2HB   GLU  38          2HB       GLU  38 -24.703   3.772   0.069
  703   1HG   GLU  38          1HG       GLU  38 -25.562   1.394   0.065
  704   2HG   GLU  38          2HG       GLU  38 -23.933   0.910  -0.406
  705    H    ASP  39           H        ASP  39 -24.385   5.411  -2.747
  706    HA   ASP  39           HA       ASP  39 -26.528   6.883  -1.598
  707   1HB   ASP  39          1HB       ASP  39 -24.180   7.456  -3.276
  708   2HB   ASP  39          2HB       ASP  39 -25.549   8.529  -3.552
  709    H    ASP  40           H        ASP  40 -26.089   5.218  -4.601
  710    HA   ASP  40           HA       ASP  40 -28.273   6.562  -5.935
  711   1HB   ASP  40          1HB       ASP  40 -26.782   4.060  -6.755
  712   2HB   ASP  40          2HB       ASP  40 -27.836   5.033  -7.777
  713    H    ASP  41           H        ASP  41 -29.650   4.607  -7.198
  714    HA   ASP  41           HA       ASP  41 -31.310   3.585  -5.060
  715   1HB   ASP  41          1HB       ASP  41 -31.574   3.779  -8.042
  716   2HB   ASP  41          2HB       ASP  41 -32.645   2.716  -7.134

  No H/Q in entry =         716
  Start of MODEL    3
    1    H1   ALA   1           H1       ALA   1 -33.273 -11.086   0.284
    2    H2   ALA   1           H2       ALA   1 -33.369 -12.389  -0.831
    3    H3   ALA   1           H3       ALA   1 -32.443 -12.551   0.605
    4    HA   ALA   1           HA       ALA   1 -30.826 -12.152  -0.858
    5   1HB   ALA   1          1HB       ALA   1 -31.838 -11.923  -2.897
    6   2HB   ALA   1          2HB       ALA   1 -32.946 -10.673  -2.332
    7   3HB   ALA   1          3HB       ALA   1 -31.259 -10.276  -2.652
    8    H    LEU   2           H        LEU   2 -30.991 -11.129   1.606
    9    HA   LEU   2           HA       LEU   2 -30.960  -8.371   1.935
   10   1HB   LEU   2          1HB       LEU   2 -29.286 -10.395   3.422
   11   2HB   LEU   2          2HB       LEU   2 -29.676  -8.776   3.972
   12    HG   LEU   2           HG       LEU   2 -31.979 -10.530   3.359
   13   1HD1  LEU   2          1HD1      LEU   2 -30.027 -11.072   5.567
   14   2HD1  LEU   2          2HD1      LEU   2 -31.737 -11.465   5.737
   15   3HD1  LEU   2          3HD1      LEU   2 -30.787 -12.206   4.451
   16   1HD2  LEU   2          1HD2      LEU   2 -31.263  -8.302   5.168
   17   2HD2  LEU   2          2HD2      LEU   2 -32.740  -8.589   4.247
   18   3HD2  LEU   2          3HD2      LEU   2 -32.458  -9.458   5.756
   19    H    LYS   3           H        LYS   3 -29.403  -6.795   1.813
   20    HA   LYS   3           HA       LYS   3 -27.080  -7.455   0.165
   21   1HB   LYS   3          1HB       LYS   3 -28.876  -5.269   0.257
   22   2HB   LYS   3          2HB       LYS   3 -27.299  -4.651   0.732
   23   1HG   LYS   3          1HG       LYS   3 -27.350  -4.368  -1.574
   24   2HG   LYS   3          2HG       LYS   3 -26.410  -5.845  -1.350
   25   1HD   LYS   3          1HD       LYS   3 -29.353  -6.090  -1.707
   26   2HD   LYS   3          2HD       LYS   3 -28.372  -5.698  -3.120
   27   1HE   LYS   3          1HE       LYS   3 -27.044  -7.777  -1.759
   28   2HE   LYS   3          2HE       LYS   3 -28.748  -8.222  -1.821
   29   1HZ   LYS   3          1HZ       LYS   3 -28.048  -7.221  -4.325
   30   2HZ   LYS   3          2HZ       LYS   3 -26.841  -8.319  -3.880
   31   3HZ   LYS   3          3HZ       LYS   3 -28.460  -8.811  -3.921
   32    H    LYS   4           H        LYS   4 -27.250  -8.075   3.052
   33    HA   LYS   4           HA       LYS   4 -25.659  -6.261   4.526
   34   1HB   LYS   4          1HB       LYS   4 -25.473  -8.016   6.173
   35   2HB   LYS   4          2HB       LYS   4 -27.114  -7.998   5.542
   36   1HG   LYS   4          1HG       LYS   4 -26.907 -10.171   5.177
   37   2HG   LYS   4          2HG       LYS   4 -25.744  -9.784   3.907
   38   1HD   LYS   4          1HD       LYS   4 -24.551  -9.694   6.552
   39   2HD   LYS   4          2HD       LYS   4 -25.258 -11.272   6.194
   40   1HE   LYS   4          1HE       LYS   4 -24.019 -10.956   3.905
   41   2HE   LYS   4          2HE       LYS   4 -23.029  -9.832   4.833
   42   1HZ   LYS   4          1HZ       LYS   4 -23.146 -12.005   6.437
   43   2HZ   LYS   4          2HZ       LYS   4 -23.086 -12.705   4.898
   44   3HZ   LYS   4          3HZ       LYS   4 -21.870 -11.638   5.390
   45    H    HIS   5           H        HIS   5 -24.901  -8.914   2.380
   46    HA   HIS   5           HA       HIS   5 -22.235  -9.357   3.102
   47   1HB   HIS   5          1HB       HIS   5 -21.983 -10.206   0.749
   48   2HB   HIS   5          2HB       HIS   5 -23.329 -10.909   1.639
   49    HD1  HIS   5           HD1      HIS   5 -25.364 -11.090   0.264
   50    HD2  HIS   5           HD2      HIS   5 -23.045  -7.829  -0.856
   51    HE1  HIS   5           HE1      HIS   5 -26.584 -10.027  -1.661
   52    HE2  HIS   5           HE2      HIS   5 -25.163  -8.054  -2.323
   53    H    HIS   6           H        HIS   6 -23.715  -6.873   1.135
   54    HA   HIS   6           HA       HIS   6 -21.377  -5.907  -0.114
   55   1HB   HIS   6          1HB       HIS   6 -24.142  -5.182   0.017
   56   2HB   HIS   6          2HB       HIS   6 -23.170  -3.743   0.307
   57    HD1  HIS   6           HD1      HIS   6 -22.126  -6.506  -2.032
   58    HD2  HIS   6           HD2      HIS   6 -23.559  -2.608  -2.180
   59    HE1  HIS   6           HE1      HIS   6 -21.914  -5.803  -4.438
   60    HE2  HIS   6           HE2      HIS   6 -22.787  -3.440  -4.505
   61    H    GLU   7           H        GLU   7 -23.149  -4.628   2.710
   62    HA   GLU   7           HA       GLU   7 -21.408  -2.611   3.416
   63   1HB   GLU   7          1HB       GLU   7 -23.556  -2.879   4.507
   64   2HB   GLU   7          2HB       GLU   7 -23.046  -4.407   5.214
   65   1HG   GLU   7          1HG       GLU   7 -21.323  -2.125   5.854
   66   2HG   GLU   7          2HG       GLU   7 -22.969  -2.011   6.474
   67    H    ASN   8           H        ASN   8 -21.004  -6.030   3.722
   68    HA   ASN   8           HA       ASN   8 -18.961  -5.989   5.707
   69   1HB   ASN   8          1HB       ASN   8 -20.253  -7.982   3.999
   70   2HB   ASN   8          2HB       ASN   8 -18.535  -8.293   4.235
   71   2HD2  ASN   8          2HD2      ASN   8 -19.097 -10.167   5.409
   72   1HD2  ASN   8          1HD2      ASN   8 -19.633 -10.063   7.048
   73    H    GLU   9           H        GLU   9 -18.808  -6.588   2.190
   74    HA   GLU   9           HA       GLU   9 -16.029  -6.501   1.965
   75   1HB   GLU   9          1HB       GLU   9 -18.317  -6.198   0.105
   76   2HB   GLU   9          2HB       GLU   9 -16.777  -5.558  -0.449
   77   1HG   GLU   9          1HG       GLU   9 -17.420  -8.385   0.333
   78   2HG   GLU   9          2HG       GLU   9 -16.962  -7.775  -1.257
   79    H    ILE  10           H        ILE  10 -18.307  -3.980   2.484
   80    HA   ILE  10           HA       ILE  10 -16.774  -1.833   1.432
   81    HB   ILE  10           HB       ILE  10 -19.365  -2.178   2.468
   82   1HG1  ILE  10          1HG1      ILE  10 -18.700   0.581   1.844
   83   2HG1  ILE  10          2HG1      ILE  10 -18.024  -0.552   0.678
   84   1HG2  ILE  10          1HG2      ILE  10 -18.613  -1.506   4.693
   85   2HG2  ILE  10          2HG2      ILE  10 -17.974  -0.003   4.025
   86   3HG2  ILE  10          3HG2      ILE  10 -19.710  -0.317   3.991
   87   1HD1  ILE  10          1HD1      ILE  10 -20.721  -1.287   1.248
   88   2HD1  ILE  10          2HD1      ILE  10 -20.651   0.424   0.825
   89   3HD1  ILE  10          3HD1      ILE  10 -19.999  -0.786  -0.281
   90    H    SER  11           H        SER  11 -17.330  -3.009   4.750
   91    HA   SER  11           HA       SER  11 -15.587  -1.192   6.009
   92   1HB   SER  11          1HB       SER  11 -17.390  -2.768   7.029
   93   2HB   SER  11          2HB       SER  11 -16.084  -3.952   7.089
   94    HG   SER  11           HG       SER  11 -15.942  -2.921   8.995
   95    H    HIS  12           H        HIS  12 -15.020  -4.169   4.312
   96    HA   HIS  12           HA       HIS  12 -12.409  -4.609   5.393
   97   1HB   HIS  12          1HB       HIS  12 -12.904  -6.636   4.576
   98   2HB   HIS  12          2HB       HIS  12 -14.245  -5.990   3.648
   99    HD1  HIS  12           HD1      HIS  12 -10.495  -6.501   3.307
  100    HD2  HIS  12           HD2      HIS  12 -13.903  -6.121   0.963
  101    HE1  HIS  12           HE1      HIS  12  -9.743  -6.959   0.950
  102    HE2  HIS  12           HE2      HIS  12 -11.822  -6.725  -0.454
  103    H    HIS  13           H        HIS  13 -13.673  -3.158   2.406
  104    HA   HIS  13           HA       HIS  13 -11.146  -2.664   1.233
  105   1HB   HIS  13          1HB       HIS  13 -13.686  -1.076   0.816
  106   2HB   HIS  13          2HB       HIS  13 -12.299  -1.147  -0.262
  107    HD1  HIS  13           HD1      HIS  13 -12.065  -4.350  -0.037
  108    HD2  HIS  13           HD2      HIS  13 -15.422  -2.126  -1.050
  109    HE1  HIS  13           HE1      HIS  13 -13.519  -5.905  -1.380
  110    HE2  HIS  13           HE2      HIS  13 -15.550  -4.539  -1.980
  111    H    ALA  14           H        ALA  14 -12.970  -1.066   3.705
  112    HA   ALA  14           HA       ALA  14 -11.678   1.467   3.546
  113   1HB   ALA  14          1HB       ALA  14 -13.877   0.569   4.839
  114   2HB   ALA  14          2HB       ALA  14 -13.049   2.077   5.230
  115   3HB   ALA  14          3HB       ALA  14 -12.718   0.621   6.168
  116    H    LYS  15           H        LYS  15 -11.318  -1.284   5.782
  117    HA   LYS  15           HA       LYS  15  -9.011  -0.214   7.055
  118   1HB   LYS  15          1HB       LYS  15 -10.672  -2.560   7.290
  119   2HB   LYS  15          2HB       LYS  15  -8.974  -3.014   7.349
  120   1HG   LYS  15          1HG       LYS  15  -9.912  -2.595   9.573
  121   2HG   LYS  15          2HG       LYS  15  -8.590  -1.492   9.185
  122   1HD   LYS  15          1HD       LYS  15 -10.364   0.159   8.451
  123   2HD   LYS  15          2HD       LYS  15 -11.546  -0.921   9.193
  124   1HE   LYS  15          1HE       LYS  15  -9.533  -0.586  11.104
  125   2HE   LYS  15          2HE       LYS  15  -9.806   1.018  10.424
  126   1HZ   LYS  15          1HZ       LYS  15 -11.912  -0.757  11.536
  127   2HZ   LYS  15          2HZ       LYS  15 -11.245   0.585  12.321
  128   3HZ   LYS  15          3HZ       LYS  15 -12.154   0.796  10.911
  129    H    GLU  16           H        GLU  16  -9.496  -1.734   4.044
  130    HA   GLU  16           HA       GLU  16  -6.837  -2.843   3.849
  131   1HB   GLU  16          1HB       GLU  16  -9.286  -2.840   2.197
  132   2HB   GLU  16          2HB       GLU  16  -7.772  -2.894   1.306
  133   1HG   GLU  16          1HG       GLU  16  -8.748  -4.842   3.375
  134   2HG   GLU  16          2HG       GLU  16  -8.513  -5.128   1.651
  135    H    ILE  17           H        ILE  17  -8.558   0.043   2.789
  136    HA   ILE  17           HA       ILE  17  -6.410   0.943   1.094
  137    HB   ILE  17           HB       ILE  17  -8.657   1.659   0.579
  138   1HG1  ILE  17          1HG1      ILE  17  -6.618   3.203   0.253
  139   2HG1  ILE  17          2HG1      ILE  17  -8.220   3.912   0.102
  140   1HG2  ILE  17          1HG2      ILE  17  -8.647   2.888   3.326
  141   2HG2  ILE  17          2HG2      ILE  17  -9.847   3.256   2.086
  142   3HG2  ILE  17          3HG2      ILE  17  -9.704   1.615   2.715
  143   1HD1  ILE  17          1HD1      ILE  17  -7.367   4.121   2.814
  144   2HD1  ILE  17          2HD1      ILE  17  -6.099   4.732   1.752
  145   3HD1  ILE  17          3HD1      ILE  17  -7.728   5.401   1.656
  146    H    GLU  18           H        GLU  18  -7.447   1.478   4.406
  147    HA   GLU  18           HA       GLU  18  -5.524   3.566   4.882
  148   1HB   GLU  18          1HB       GLU  18  -7.794   2.512   6.227
  149   2HB   GLU  18          2HB       GLU  18  -6.423   2.362   7.317
  150   1HG   GLU  18          1HG       GLU  18  -7.404   4.443   7.784
  151   2HG   GLU  18          2HG       GLU  18  -5.944   4.792   6.859
  152    H    ARG  19           H        ARG  19  -5.788   0.105   5.497
  153    HA   ARG  19           HA       ARG  19  -3.358  -0.055   7.000
  154   1HB   ARG  19          1HB       ARG  19  -5.231  -1.698   7.192
  155   2HB   ARG  19          2HB       ARG  19  -4.841  -2.274   5.577
  156   1HG   ARG  19          1HG       ARG  19  -2.439  -2.347   7.013
  157   2HG   ARG  19          2HG       ARG  19  -3.676  -2.990   8.095
  158   1HD   ARG  19          1HD       ARG  19  -4.411  -4.463   6.186
  159   2HD   ARG  19          2HD       ARG  19  -2.959  -3.946   5.332
  160    HE   ARG  19           HE       ARG  19  -2.467  -5.009   7.963
  161   1HH1  ARG  19          1HH1      ARG  19  -2.839  -5.746   4.581
  162   2HH1  ARG  19          2HH1      ARG  19  -1.940  -7.224   4.671
  163   1HH2  ARG  19          1HH2      ARG  19  -1.281  -6.954   8.094
  164   2HH2  ARG  19          2HH2      ARG  19  -1.055  -7.911   6.668
  165    H    LEU  20           H        LEU  20  -4.217  -0.146   3.642
  166    HA   LEU  20           HA       LEU  20  -1.801  -1.367   2.724
  167   1HB   LEU  20          1HB       LEU  20  -4.099   0.051   1.455
  168   2HB   LEU  20          2HB       LEU  20  -2.617  -0.116   0.535
  169    HG   LEU  20           HG       LEU  20  -3.932  -2.509   1.784
  170   1HD1  LEU  20          1HD1      LEU  20  -5.192  -0.895  -0.084
  171   2HD1  LEU  20          2HD1      LEU  20  -4.470  -2.189  -1.041
  172   3HD1  LEU  20          3HD1      LEU  20  -5.570  -2.579   0.282
  173   1HD2  LEU  20          1HD2      LEU  20  -1.551  -2.487   0.843
  174   2HD2  LEU  20          2HD2      LEU  20  -2.644  -3.752   0.282
  175   3HD2  LEU  20          3HD2      LEU  20  -2.318  -2.352  -0.739
  176    H    GLN  21           H        GLN  21  -2.973   1.950   3.084
  177    HA   GLN  21           HA       GLN  21  -0.786   3.252   1.898
  178   1HB   GLN  21          1HB       GLN  21  -2.936   4.354   2.421
  179   2HB   GLN  21          2HB       GLN  21  -2.566   4.240   4.136
  180   1HG   GLN  21          1HG       GLN  21  -1.292   6.058   4.086
  181   2HG   GLN  21          2HG       GLN  21  -0.440   5.521   2.639
  182   2HE2  GLN  21          2HE2      GLN  21  -3.489   6.944   3.722
  183   1HE2  GLN  21          1HE2      GLN  21  -3.745   7.910   2.313
  184    H    LYS  22           H        LYS  22  -1.403   2.305   5.265
  185    HA   LYS  22           HA       LYS  22   0.943   3.437   6.347
  186   1HB   LYS  22          1HB       LYS  22  -1.215   2.395   7.474
  187   2HB   LYS  22          2HB       LYS  22  -0.217   0.948   7.519
  188   1HG   LYS  22          1HG       LYS  22  -0.130   2.282   9.597
  189   2HG   LYS  22          2HG       LYS  22   1.446   2.061   8.836
  190   1HD   LYS  22          1HD       LYS  22   0.077   4.450   7.900
  191   2HD   LYS  22          2HD       LYS  22   0.342   4.462   9.645
  192   1HE   LYS  22          1HE       LYS  22   2.676   3.524   8.211
  193   2HE   LYS  22          2HE       LYS  22   2.183   5.130   7.673
  194   1HZ   LYS  22          1HZ       LYS  22   2.002   5.397  10.321
  195   2HZ   LYS  22          2HZ       LYS  22   3.277   4.288  10.221
  196   3HZ   LYS  22          3HZ       LYS  22   3.390   5.780   9.433
  197    H    GLU  23           H        GLU  23   0.268   0.331   4.854
  198    HA   GLU  23           HA       GLU  23   2.685  -0.948   5.573
  199   1HB   GLU  23          1HB       GLU  23   0.489  -1.439   3.648
  200   2HB   GLU  23          2HB       GLU  23   2.026  -2.211   3.284
  201   1HG   GLU  23          1HG       GLU  23   1.908  -3.611   5.065
  202   2HG   GLU  23          2HG       GLU  23   0.999  -2.464   6.048
  203    H    ILE  24           H        ILE  24   1.777   1.113   2.865
  204    HA   ILE  24           HA       ILE  24   4.103   0.638   1.322
  205    HB   ILE  24           HB       ILE  24   3.342   2.179  -0.174
  206   1HG1  ILE  24          1HG1      ILE  24   1.881   4.205   0.603
  207   2HG1  ILE  24          2HG1      ILE  24   2.574   3.868   2.187
  208   1HG2  ILE  24          1HG2      ILE  24   1.420   0.651   0.782
  209   2HG2  ILE  24          2HG2      ILE  24   0.725   2.211   1.217
  210   3HG2  ILE  24          3HG2      ILE  24   1.113   1.859  -0.465
  211   1HD1  ILE  24          1HD1      ILE  24   4.679   3.881   0.287
  212   2HD1  ILE  24          2HD1      ILE  24   4.393   4.989   1.630
  213   3HD1  ILE  24          3HD1      ILE  24   3.696   5.328   0.046
  214    H    GLU  25           H        GLU  25   3.288   3.023   3.789
  215    HA   GLU  25           HA       GLU  25   5.563   4.635   3.596
  216   1HB   GLU  25          1HB       GLU  25   3.320   4.462   5.271
  217   2HB   GLU  25          2HB       GLU  25   4.707   4.318   6.341
  218   1HG   GLU  25          1HG       GLU  25   5.242   6.416   4.520
  219   2HG   GLU  25          2HG       GLU  25   3.612   6.645   5.148
  220    H    ARG  26           H        ARG  26   4.964   1.701   5.493
  221    HA   ARG  26           HA       ARG  26   7.347   1.623   6.929
  222   1HB   ARG  26          1HB       ARG  26   5.331  -0.371   6.066
  223   2HB   ARG  26          2HB       ARG  26   6.902  -1.009   6.531
  224   1HG   ARG  26          1HG       ARG  26   5.186  -0.916   8.354
  225   2HG   ARG  26          2HG       ARG  26   6.720  -0.119   8.715
  226   1HD   ARG  26          1HD       ARG  26   5.804   2.002   8.543
  227   2HD   ARG  26          2HD       ARG  26   4.453   1.449   7.556
  228    HE   ARG  26           HE       ARG  26   3.293   0.956   9.473
  229   1HH1  ARG  26          1HH1      ARG  26   6.644   1.490  10.254
  230   2HH1  ARG  26          2HH1      ARG  26   6.380   1.484  11.966
  231   1HH2  ARG  26          1HH2      ARG  26   2.933   0.946  11.725
  232   2HH2  ARG  26          2HH2      ARG  26   4.269   1.174  12.803
  233    H    HIS  27           H        HIS  27   6.590   0.216   3.752
  234    HA   HIS  27           HA       HIS  27   9.149  -0.854   3.266
  235   1HB   HIS  27          1HB       HIS  27   6.696  -0.381   1.731
  236   2HB   HIS  27          2HB       HIS  27   8.160  -0.281   0.760
  237    HD1  HIS  27           HD1      HIS  27   9.486  -2.452   0.386
  238    HD2  HIS  27           HD2      HIS  27   6.106  -2.933   2.755
  239    HE1  HIS  27           HE1      HIS  27   9.137  -4.936   0.564
  240    HE2  HIS  27           HE2      HIS  27   7.086  -5.206   2.002
  241    H    LYS  28           H        LYS  28   7.876   2.354   3.034
  242    HA   LYS  28           HA       LYS  28   9.889   3.386   1.283
  243   1HB   LYS  28          1HB       LYS  28   7.535   4.337   1.767
  244   2HB   LYS  28          2HB       LYS  28   8.274   5.047   3.197
  245   1HG   LYS  28          1HG       LYS  28   9.539   5.487   0.535
  246   2HG   LYS  28          2HG       LYS  28   8.097   6.405   0.977
  247   1HD   LYS  28          1HD       LYS  28  10.274   6.261   2.983
  248   2HD   LYS  28          2HD       LYS  28  10.572   7.238   1.542
  249   1HE   LYS  28          1HE       LYS  28   8.024   7.970   2.274
  250   2HE   LYS  28          2HE       LYS  28   8.830   7.744   3.826
  251   1HZ   LYS  28          1HZ       LYS  28  10.586   9.245   3.067
  252   2HZ   LYS  28          2HZ       LYS  28   9.762   9.491   1.612
  253   3HZ   LYS  28          3HZ       LYS  28   9.076  10.007   3.068
  254    H    GLN  29           H        GLN  29   9.546   2.969   4.726
  255    HA   GLN  29           HA       GLN  29  11.703   4.706   5.446
  256   1HB   GLN  29          1HB       GLN  29   9.707   3.866   6.894
  257   2HB   GLN  29          2HB       GLN  29  10.722   2.458   7.175
  258   1HG   GLN  29          1HG       GLN  29  12.061   3.553   8.585
  259   2HG   GLN  29          2HG       GLN  29  12.092   5.004   7.584
  260   2HE2  GLN  29          2HE2      GLN  29  11.100   6.725   8.350
  261   1HE2  GLN  29          1HE2      GLN  29   9.897   6.738   9.590
  262    H    SER  30           H        SER  30  11.351   1.291   4.732
  263    HA   SER  30           HA       SER  30  13.976   0.568   5.613
  264   1HB   SER  30          1HB       SER  30  11.722  -0.855   5.032
  265   2HB   SER  30          2HB       SER  30  12.691  -1.151   3.589
  266    HG   SER  30           HG       SER  30  12.918  -2.328   5.915
  267    H    ILE  31           H        ILE  31  12.504   1.370   2.501
  268    HA   ILE  31           HA       ILE  31  14.871   0.843   0.982
  269    HB   ILE  31           HB       ILE  31  12.730   0.699  -0.105
  270   1HG1  ILE  31          1HG1      ILE  31  13.076   2.441  -1.973
  271   2HG1  ILE  31          2HG1      ILE  31  14.499   2.941  -1.066
  272   1HG2  ILE  31          1HG2      ILE  31  12.076   2.926   1.406
  273   2HG2  ILE  31          2HG2      ILE  31  12.069   3.511  -0.258
  274   3HG2  ILE  31          3HG2      ILE  31  11.062   2.136   0.198
  275   1HD1  ILE  31          1HD1      ILE  31  15.353   0.630  -1.224
  276   2HD1  ILE  31          2HD1      ILE  31  13.962   0.224  -2.228
  277   3HD1  ILE  31          3HD1      ILE  31  15.140   1.408  -2.792
  278    H    LYS  32           H        LYS  32  13.618   3.550   2.748
  279    HA   LYS  32           HA       LYS  32  15.298   5.508   1.473
  280   1HB   LYS  32          1HB       LYS  32  13.171   6.196   2.430
  281   2HB   LYS  32          2HB       LYS  32  13.669   5.625   4.017
  282   1HG   LYS  32          1HG       LYS  32  15.662   7.407   3.243
  283   2HG   LYS  32          2HG       LYS  32  14.147   8.162   2.742
  284   1HD   LYS  32          1HD       LYS  32  14.140   6.953   5.428
  285   2HD   LYS  32          2HD       LYS  32  15.190   8.358   5.229
  286   1HE   LYS  32          1HE       LYS  32  13.365   9.714   4.512
  287   2HE   LYS  32          2HE       LYS  32  12.297   8.316   4.391
  288   1HZ   LYS  32          1HZ       LYS  32  13.320   8.440   6.998
  289   2HZ   LYS  32          2HZ       LYS  32  12.725   9.972   6.599
  290   3HZ   LYS  32          3HZ       LYS  32  11.716   8.619   6.490
  291    H    LYS  33           H        LYS  33  15.402   3.535   4.382
  292    HA   LYS  33           HA       LYS  33  17.763   4.815   5.413
  293   1HB   LYS  33          1HB       LYS  33  16.163   3.805   6.948
  294   2HB   LYS  33          2HB       LYS  33  16.395   2.234   6.193
  295   1HG   LYS  33          1HG       LYS  33  17.871   1.870   7.819
  296   2HG   LYS  33          2HG       LYS  33  18.947   2.920   6.895
  297   1HD   LYS  33          1HD       LYS  33  18.989   4.345   8.599
  298   2HD   LYS  33          2HD       LYS  33  17.251   4.590   8.420
  299   1HE   LYS  33          1HE       LYS  33  17.839   2.095   9.758
  300   2HE   LYS  33          2HE       LYS  33  18.571   3.463  10.596
  301   1HZ   LYS  33          1HZ       LYS  33  16.068   4.338   9.999
  302   2HZ   LYS  33          2HZ       LYS  33  15.812   2.714  10.396
  303   3HZ   LYS  33          3HZ       LYS  33  16.573   3.745  11.501
  304    H    LEU  34           H        LEU  34  17.032   2.142   3.327
  305    HA   LEU  34           HA       LEU  34  19.651   0.956   3.503
  306   1HB   LEU  34          1HB       LEU  34  17.106   0.342   2.227
  307   2HB   LEU  34          2HB       LEU  34  18.471   0.013   1.179
  308    HG   LEU  34           HG       LEU  34  18.472  -1.030   3.986
  309   1HD1  LEU  34          1HD1      LEU  34  16.301  -1.592   2.719
  310   2HD1  LEU  34          2HD1      LEU  34  17.329  -2.619   1.721
  311   3HD1  LEU  34          3HD1      LEU  34  17.213  -2.908   3.456
  312   1HD2  LEU  34          1HD2      LEU  34  20.394  -1.070   2.174
  313   2HD2  LEU  34          2HD2      LEU  34  20.116  -2.434   3.255
  314   3HD2  LEU  34          3HD2      LEU  34  19.500  -2.478   1.603
  315    H    LYS  35           H        LYS  35  18.010   3.274   1.468
  316    HA   LYS  35           HA       LYS  35  20.012   3.264  -0.591
  317   1HB   LYS  35          1HB       LYS  35  18.778   5.053  -1.582
  318   2HB   LYS  35          2HB       LYS  35  17.608   3.905  -0.945
  319   1HG   LYS  35          1HG       LYS  35  17.165   5.313   0.943
  320   2HG   LYS  35          2HG       LYS  35  18.464   6.414   0.480
  321   1HD   LYS  35          1HD       LYS  35  16.230   5.853  -1.427
  322   2HD   LYS  35          2HD       LYS  35  15.994   7.001  -0.108
  323   1HE   LYS  35          1HE       LYS  35  17.962   8.259  -0.881
  324   2HE   LYS  35          2HE       LYS  35  18.145   7.127  -2.219
  325   1HZ   LYS  35          1HZ       LYS  35  15.505   8.129  -2.157
  326   2HZ   LYS  35          2HZ       LYS  35  16.596   9.421  -2.153
  327   3HZ   LYS  35          3HZ       LYS  35  16.663   8.261  -3.383
  328    H    GLN  36           H        GLN  36  19.334   5.152   2.294
  329    HA   GLN  36           HA       GLN  36  21.351   7.125   1.740
  330   1HB   GLN  36          1HB       GLN  36  19.272   7.493   3.145
  331   2HB   GLN  36          2HB       GLN  36  20.054   6.546   4.403
  332   1HG   GLN  36          1HG       GLN  36  20.757   8.547   5.118
  333   2HG   GLN  36          2HG       GLN  36  21.993   8.338   3.880
  334   2HE2  GLN  36          2HE2      GLN  36  19.198  10.079   4.863
  335   1HE2  GLN  36          1HE2      GLN  36  19.189  11.228   3.572
  336    H    SER  37           H        SER  37  21.170   4.085   3.431
  337    HA   SER  37           HA       SER  37  23.659   4.413   4.828
  338   1HB   SER  37          1HB       SER  37  21.670   2.898   5.483
  339   2HB   SER  37          2HB       SER  37  22.322   1.768   4.297
  340    HG   SER  37           HG       SER  37  23.612   1.169   5.833
  341    H    GLU  38           H        GLU  38  22.645   3.229   1.730
  342    HA   GLU  38           HA       GLU  38  25.016   1.733   1.162
  343   1HB   GLU  38          1HB       GLU  38  22.501   2.055  -0.023
  344   2HB   GLU  38          2HB       GLU  38  23.642   2.694  -1.198
  345   1HG   GLU  38          1HG       GLU  38  24.865   0.382  -0.455
  346   2HG   GLU  38          2HG       GLU  38  23.162  -0.059  -0.341
  347    H    ASP  39           H        ASP  39  24.040   5.054   0.848
  348    HA   ASP  39           HA       ASP  39  26.055   5.821  -1.020
  349   1HB   ASP  39          1HB       ASP  39  23.831   7.046   0.226
  350   2HB   ASP  39          2HB       ASP  39  25.239   8.019   0.641
  351    H    ASP  40           H        ASP  40  25.959   5.360   2.407
  352    HA   ASP  40           HA       ASP  40  28.379   6.876   2.895
  353   1HB   ASP  40          1HB       ASP  40  26.647   6.853   4.611
  354   2HB   ASP  40          2HB       ASP  40  26.742   5.098   4.715
  355    H    ASP  41           H        ASP  41  27.388   3.513   2.597
  356    HA   ASP  41           HA       ASP  41  28.590   1.619   2.196
  357   1HB   ASP  41          1HB       ASP  41  30.000   3.438   0.857
  358   2HB   ASP  41          2HB       ASP  41  31.192   3.071   2.101
  359    H1   ALA   1           H1       ALA   1  33.274 -11.086  -0.291
  360    H2   ALA   1           H2       ALA   1  33.369 -12.389   0.823
  361    H3   ALA   1           H3       ALA   1  32.443 -12.551  -0.613
  362    HA   ALA   1           HA       ALA   1  30.826 -12.152   0.851
  363   1HB   ALA   1          1HB       ALA   1  32.946 -10.675   2.325
  364   2HB   ALA   1          2HB       ALA   1  31.838 -11.925   2.890
  365   3HB   ALA   1          3HB       ALA   1  31.259 -10.278   2.645
  366    H    LEU   2           H        LEU   2  30.991 -11.127  -1.613
  367    HA   LEU   2           HA       LEU   2  30.960  -8.369  -1.941
  368   1HB   LEU   2          1HB       LEU   2  29.286 -10.392  -3.430
  369   2HB   LEU   2          2HB       LEU   2  29.676  -8.774  -3.978
  370    HG   LEU   2           HG       LEU   2  31.979 -10.528  -3.366
  371   1HD1  LEU   2          1HD1      LEU   2  30.027 -11.068  -5.574
  372   2HD1  LEU   2          2HD1      LEU   2  31.738 -11.461  -5.745
  373   3HD1  LEU   2          3HD1      LEU   2  30.787 -12.203  -4.459
  374   1HD2  LEU   2          1HD2      LEU   2  31.263  -8.298  -5.173
  375   2HD2  LEU   2          2HD2      LEU   2  32.740  -8.587  -4.253
  376   3HD2  LEU   2          3HD2      LEU   2  32.458  -9.454  -5.762
  377    H    LYS   3           H        LYS   3  29.403  -6.793  -1.818
  378    HA   LYS   3           HA       LYS   3  27.081  -7.455  -0.169
  379   1HB   LYS   3          1HB       LYS   3  28.876  -5.269  -0.260
  380   2HB   LYS   3          2HB       LYS   3  27.300  -4.651  -0.735
  381   1HG   LYS   3          1HG       LYS   3  27.350  -4.368   1.571
  382   2HG   LYS   3          2HG       LYS   3  26.410  -5.845   1.346
  383   1HD   LYS   3          1HD       LYS   3  29.353  -6.091   1.702
  384   2HD   LYS   3          2HD       LYS   3  28.372  -5.700   3.116
  385   1HE   LYS   3          1HE       LYS   3  27.045  -7.778   1.754
  386   2HE   LYS   3          2HE       LYS   3  28.749  -8.223   1.816
  387   1HZ   LYS   3          1HZ       LYS   3  28.048  -7.223   4.321
  388   2HZ   LYS   3          2HZ       LYS   3  26.841  -8.321   3.875
  389   3HZ   LYS   3          3HZ       LYS   3  28.460  -8.813   3.914
  390    H    LYS   4           H        LYS   4  27.250  -8.072  -3.057
  391    HA   LYS   4           HA       LYS   4  25.659  -6.258  -4.530
  392   1HB   LYS   4          1HB       LYS   4  25.473  -8.012  -6.179
  393   2HB   LYS   4          2HB       LYS   4  27.114  -7.994  -5.548
  394   1HG   LYS   4          1HG       LYS   4  26.907 -10.167  -5.184
  395   2HG   LYS   4          2HG       LYS   4  25.745  -9.782  -3.914
  396   1HD   LYS   4          1HD       LYS   4  24.551  -9.690  -6.558
  397   2HD   LYS   4          2HD       LYS   4  25.258 -11.267  -6.202
  398   1HE   LYS   4          1HE       LYS   4  24.019 -10.954  -3.912
  399   2HE   LYS   4          2HE       LYS   4  23.029  -9.828  -4.839
  400   1HZ   LYS   4          1HZ       LYS   4  23.146 -12.001  -6.446
  401   2HZ   LYS   4          2HZ       LYS   4  23.086 -12.701  -4.906
  402   3HZ   LYS   4          3HZ       LYS   4  21.870 -11.633  -5.397
  403    H    HIS   5           H        HIS   5  24.901  -8.912  -2.386
  404    HA   HIS   5           HA       HIS   5  22.235  -9.355  -3.108
  405   1HB   HIS   5          1HB       HIS   5  21.983 -10.206  -0.755
  406   2HB   HIS   5          2HB       HIS   5  23.329 -10.907  -1.646
  407    HD1  HIS   5           HD1      HIS   5  25.364 -11.090  -0.271
  408    HD2  HIS   5           HD2      HIS   5  23.045  -7.829   0.849
  409    HE1  HIS   5           HE1      HIS   5  26.584 -10.028   1.655
  410    HE2  HIS   5           HE2      HIS   5  25.162  -8.056   2.318
  411    H    HIS   6           H        HIS   6  23.715  -6.873  -1.140
  412    HA   HIS   6           HA       HIS   6  21.377  -5.907   0.110
  413   1HB   HIS   6          1HB       HIS   6  24.142  -5.182  -0.022
  414   2HB   HIS   6          2HB       HIS   6  23.170  -3.743  -0.309
  415    HD1  HIS   6           HD1      HIS   6  22.127  -6.508   2.028
  416    HD2  HIS   6           HD2      HIS   6  23.559  -2.610   2.178
  417    HE1  HIS   6           HE1      HIS   6  21.914  -5.805   4.434
  418    HE2  HIS   6           HE2      HIS   6  22.788  -3.442   4.502
  419    H    GLU   7           H        GLU   7  23.149  -4.626  -2.713
  420    HA   GLU   7           HA       GLU   7  21.408  -2.609  -3.419
  421   1HB   GLU   7          1HB       GLU   7  23.556  -2.876  -4.510
  422   2HB   GLU   7          2HB       GLU   7  23.045  -4.403  -5.217
  423   1HG   GLU   7          1HG       GLU   7  21.322  -2.121  -5.855
  424   2HG   GLU   7          2HG       GLU   7  22.969  -2.006  -6.475
  425    H    ASN   8           H        ASN   8  21.004  -6.028  -3.726
  426    HA   ASN   8           HA       ASN   8  18.961  -5.985  -5.711
  427   1HB   ASN   8          1HB       ASN   8  20.253  -7.980  -4.004
  428   2HB   ASN   8          2HB       ASN   8  18.535  -8.291  -4.242
  429   2HD2  ASN   8          2HD2      ASN   8  19.097 -10.163  -5.416
  430   1HD2  ASN   8          1HD2      ASN   8  19.633 -10.059  -7.055
  431    H    GLU   9           H        GLU   9  18.808  -6.586  -2.195
  432    HA   GLU   9           HA       GLU   9  16.029  -6.498  -1.970
  433   1HB   GLU   9          1HB       GLU   9  18.317  -6.198  -0.109
  434   2HB   GLU   9          2HB       GLU   9  16.777  -5.557   0.446
  435   1HG   GLU   9          1HG       GLU   9  17.420  -8.384  -0.338
  436   2HG   GLU   9          2HG       GLU   9  16.963  -7.775   1.251
  437    H    ILE  10           H        ILE  10  18.307  -3.978  -2.487
  438    HA   ILE  10           HA       ILE  10  16.774  -1.832  -1.434
  439    HB   ILE  10           HB       ILE  10  19.365  -2.176  -2.469
  440   1HG1  ILE  10          1HG1      ILE  10  18.700   0.583  -1.844
  441   2HG1  ILE  10          2HG1      ILE  10  18.024  -0.552  -0.678
  442   1HG2  ILE  10          1HG2      ILE  10  18.613  -1.502  -4.694
  443   2HG2  ILE  10          2HG2      ILE  10  17.974  -0.001  -4.025
  444   3HG2  ILE  10          3HG2      ILE  10  19.710  -0.315  -3.991
  445   1HD1  ILE  10          1HD1      ILE  10  20.721  -1.287  -1.249
  446   2HD1  ILE  10          2HD1      ILE  10  20.651   0.424  -0.825
  447   3HD1  ILE  10          3HD1      ILE  10  19.999  -0.786   0.281
  448    H    SER  11           H        SER  11  17.330  -3.005  -4.752
  449    HA   SER  11           HA       SER  11  15.588  -1.188  -6.009
  450   1HB   SER  11          1HB       SER  11  17.390  -2.763  -7.031
  451   2HB   SER  11          2HB       SER  11  16.085  -3.947  -7.091
  452    HG   SER  11           HG       SER  11  15.942  -2.914  -8.997
  453    H    HIS  12           H        HIS  12  15.020  -4.167  -4.314
  454    HA   HIS  12           HA       HIS  12  12.409  -4.605  -5.396
  455   1HB   HIS  12          1HB       HIS  12  12.905  -6.633  -4.580
  456   2HB   HIS  12          2HB       HIS  12  14.246  -5.988  -3.652
  457    HD1  HIS  12           HD1      HIS  12  10.495  -6.499  -3.311
  458    HD2  HIS  12           HD2      HIS  12  13.903  -6.121  -0.967
  459    HE1  HIS  12           HE1      HIS  12   9.742  -6.959  -0.956
  460    HE2  HIS  12           HE2      HIS  12  11.822  -6.725   0.448
  461    H    HIS  13           H        HIS  13  13.673  -3.156  -2.408
  462    HA   HIS  13           HA       HIS  13  11.146  -2.664  -1.235
  463   1HB   HIS  13          1HB       HIS  13  13.686  -1.076  -0.818
  464   2HB   HIS  13          2HB       HIS  13  12.298  -1.147   0.261
  465    HD1  HIS  13           HD1      HIS  13  12.065  -4.350   0.035
  466    HD2  HIS  13           HD2      HIS  13  15.422  -2.127   1.049
  467    HE1  HIS  13           HE1      HIS  13  13.518  -5.905   1.376
  468    HE2  HIS  13           HE2      HIS  13  15.550  -4.541   1.978
  469    H    ALA  14           H        ALA  14  12.970  -1.063  -3.705
  470    HA   ALA  14           HA       ALA  14  11.678   1.469  -3.545
  471   1HB   ALA  14          1HB       ALA  14  13.877   0.573  -4.838
  472   2HB   ALA  14          2HB       ALA  14  12.719   0.625  -6.167
  473   3HB   ALA  14          3HB       ALA  14  13.049   2.081  -5.228
  474    H    LYS  15           H        LYS  15  11.318  -1.280  -5.784
  475    HA   LYS  15           HA       LYS  15   9.011  -0.209  -7.056
  476   1HB   LYS  15          1HB       LYS  15  10.671  -2.556  -7.293
  477   2HB   LYS  15          2HB       LYS  15   8.974  -3.009  -7.352
  478   1HG   LYS  15          1HG       LYS  15   9.912  -2.589  -9.575
  479   2HG   LYS  15          2HG       LYS  15   8.590  -1.485  -9.186
  480   1HD   LYS  15          1HD       LYS  15  10.364   0.165  -8.451
  481   2HD   LYS  15          2HD       LYS  15  11.546  -0.914  -9.193
  482   1HE   LYS  15          1HE       LYS  15   9.533  -0.578 -11.104
  483   2HE   LYS  15          2HE       LYS  15   9.806   1.025 -10.423
  484   1HZ   LYS  15          1HZ       LYS  15  11.912  -0.749 -11.537
  485   2HZ   LYS  15          2HZ       LYS  15  11.245   0.593 -12.320
  486   3HZ   LYS  15          3HZ       LYS  15  12.155   0.804 -10.911
  487    H    GLU  16           H        GLU  16   9.496  -1.732  -4.045
  488    HA   GLU  16           HA       GLU  16   6.837  -2.841  -3.851
  489   1HB   GLU  16          1HB       GLU  16   9.286  -2.838  -2.197
  490   2HB   GLU  16          2HB       GLU  16   7.772  -2.894  -1.307
  491   1HG   GLU  16          1HG       GLU  16   8.748  -4.840  -3.378
  492   2HG   GLU  16          2HG       GLU  16   8.513  -5.126  -1.655
  493    H    ILE  17           H        ILE  17   8.558   0.045  -2.789
  494    HA   ILE  17           HA       ILE  17   6.410   0.943  -1.093
  495    HB   ILE  17           HB       ILE  17   8.657   1.659  -0.578
  496   1HG1  ILE  17          1HG1      ILE  17   6.618   3.203  -0.251
  497   2HG1  ILE  17          2HG1      ILE  17   8.221   3.912  -0.099
  498   1HG2  ILE  17          1HG2      ILE  17   8.647   2.890  -3.324
  499   2HG2  ILE  17          2HG2      ILE  17   9.847   3.258  -2.084
  500   3HG2  ILE  17          3HG2      ILE  17   9.704   1.617  -2.714
  501   1HD1  ILE  17          1HD1      ILE  17   7.367   4.123  -2.811
  502   2HD1  ILE  17          2HD1      ILE  17   6.098   4.734  -1.748
  503   3HD1  ILE  17          3HD1      ILE  17   7.728   5.403  -1.653
  504    H    GLU  18           H        GLU  18   7.447   1.480  -4.405
  505    HA   GLU  18           HA       GLU  18   5.524   3.571  -4.880
  506   1HB   GLU  18          1HB       GLU  18   7.794   2.516  -6.226
  507   2HB   GLU  18          2HB       GLU  18   6.423   2.366  -7.315
  508   1HG   GLU  18          1HG       GLU  18   7.404   4.449  -7.781
  509   2HG   GLU  18          2HG       GLU  18   5.944   4.796  -6.856
  510    H    ARG  19           H        ARG  19   5.788   0.109  -5.497
  511    HA   ARG  19           HA       ARG  19   3.358  -0.051  -7.000
  512   1HB   ARG  19          1HB       ARG  19   5.231  -1.694  -7.193
  513   2HB   ARG  19          2HB       ARG  19   4.841  -2.270  -5.578
  514   1HG   ARG  19          1HG       ARG  19   2.439  -2.342  -7.015
  515   2HG   ARG  19          2HG       ARG  19   3.676  -2.983  -8.097
  516   1HD   ARG  19          1HD       ARG  19   4.411  -4.459  -6.189
  517   2HD   ARG  19          2HD       ARG  19   2.958  -3.942  -5.334
  518    HE   ARG  19           HE       ARG  19   2.467  -5.003  -7.967
  519   1HH1  ARG  19          1HH1      ARG  19   2.840  -5.743  -4.585
  520   2HH1  ARG  19          2HH1      ARG  19   1.941  -7.220  -4.675
  521   1HH2  ARG  19          1HH2      ARG  19   1.281  -6.947  -8.099
  522   2HH2  ARG  19          2HH2      ARG  19   1.054  -7.906  -6.673
  523    H    LEU  20           H        LEU  20   4.217  -0.144  -3.642
  524    HA   LEU  20           HA       LEU  20   1.801  -1.364  -2.725
  525   1HB   LEU  20          1HB       LEU  20   4.099   0.052  -1.455
  526   2HB   LEU  20          2HB       LEU  20   2.617  -0.116  -0.535
  527    HG   LEU  20           HG       LEU  20   3.932  -2.507  -1.786
  528   1HD1  LEU  20          1HD1      LEU  20   5.192  -0.895   0.083
  529   2HD1  LEU  20          2HD1      LEU  20   4.470  -2.189   1.039
  530   3HD1  LEU  20          3HD1      LEU  20   5.570  -2.579  -0.284
  531   1HD2  LEU  20          1HD2      LEU  20   1.551  -2.487  -0.845
  532   2HD2  LEU  20          2HD2      LEU  20   2.644  -3.752  -0.284
  533   3HD2  LEU  20          3HD2      LEU  20   2.318  -2.352   0.738
  534    H    GLN  21           H        GLN  21   2.973   1.952  -3.082
  535    HA   GLN  21           HA       GLN  21   0.786   3.254  -1.896
  536   1HB   GLN  21          1HB       GLN  21   2.936   4.356  -2.418
  537   2HB   GLN  21          2HB       GLN  21   2.566   4.242  -4.134
  538   1HG   GLN  21          1HG       GLN  21   1.292   6.060  -4.082
  539   2HG   GLN  21          2HG       GLN  21   0.440   5.523  -2.635
  540   2HE2  GLN  21          2HE2      GLN  21   3.489   6.946  -3.718
  541   1HE2  GLN  21          1HE2      GLN  21   3.745   7.912  -2.308
  542    H    LYS  22           H        LYS  22   1.402   2.309  -5.263
  543    HA   LYS  22           HA       LYS  22  -0.943   3.441  -6.345
  544   1HB   LYS  22          1HB       LYS  22   1.215   2.400  -7.473
  545   2HB   LYS  22          2HB       LYS  22   0.217   0.953  -7.518
  546   1HG   LYS  22          1HG       LYS  22   0.130   2.288  -9.596
  547   2HG   LYS  22          2HG       LYS  22  -1.446   2.068  -8.834
  548   1HD   LYS  22          1HD       LYS  22  -0.077   4.456  -7.898
  549   2HD   LYS  22          2HD       LYS  22  -0.342   4.468  -9.642
  550   1HE   LYS  22          1HE       LYS  22  -2.676   3.531  -8.209
  551   2HE   LYS  22          2HE       LYS  22  -2.183   5.135  -7.670
  552   1HZ   LYS  22          1HZ       LYS  22  -2.002   5.403 -10.317
  553   2HZ   LYS  22          2HZ       LYS  22  -3.277   4.294 -10.218
  554   3HZ   LYS  22          3HZ       LYS  22  -3.390   5.786  -9.429
  555    H    GLU  23           H        GLU  23  -0.268   0.335  -4.853
  556    HA   GLU  23           HA       GLU  23  -2.685  -0.944  -5.574
  557   1HB   GLU  23          1HB       GLU  23  -0.489  -1.437  -3.648
  558   2HB   GLU  23          2HB       GLU  23  -2.025  -2.209  -3.286
  559   1HG   GLU  23          1HG       GLU  23  -1.908  -3.607  -5.067
  560   2HG   GLU  23          2HG       GLU  23  -0.999  -2.460  -6.050
  561    H    ILE  24           H        ILE  24  -1.777   1.115  -2.864
  562    HA   ILE  24           HA       ILE  24  -4.103   0.638  -1.322
  563    HB   ILE  24           HB       ILE  24  -3.342   2.179   0.176
  564   1HG1  ILE  24          1HG1      ILE  24  -1.881   4.205  -0.600
  565   2HG1  ILE  24          2HG1      ILE  24  -2.574   3.870  -2.184
  566   1HG2  ILE  24          1HG2      ILE  24  -1.420   0.651  -0.782
  567   2HG2  ILE  24          2HG2      ILE  24  -0.725   2.211  -1.216
  568   3HG2  ILE  24          3HG2      ILE  24  -1.113   1.859   0.466
  569   1HD1  ILE  24          1HD1      ILE  24  -4.679   3.881  -0.283
  570   2HD1  ILE  24          2HD1      ILE  24  -3.696   5.328  -0.043
  571   3HD1  ILE  24          3HD1      ILE  24  -4.393   4.990  -1.627
  572    H    GLU  25           H        GLU  25  -3.288   3.026  -3.786
  573    HA   GLU  25           HA       GLU  25  -5.563   4.638  -3.593
  574   1HB   GLU  25          1HB       GLU  25  -3.320   4.466  -5.267
  575   2HB   GLU  25          2HB       GLU  25  -4.707   4.322  -6.338
  576   1HG   GLU  25          1HG       GLU  25  -5.242   6.418  -4.515
  577   2HG   GLU  25          2HG       GLU  25  -3.611   6.649  -5.144
  578    H    ARG  26           H        ARG  26  -4.964   1.705  -5.492
  579    HA   ARG  26           HA       ARG  26  -7.347   1.628  -6.928
  580   1HB   ARG  26          1HB       ARG  26  -5.331  -0.367  -6.066
  581   2HB   ARG  26          2HB       ARG  26  -6.902  -1.005  -6.532
  582   1HG   ARG  26          1HG       ARG  26  -5.186  -0.910  -8.355
  583   2HG   ARG  26          2HG       ARG  26  -6.720  -0.113  -8.715
  584   1HD   ARG  26          1HD       ARG  26  -5.805   2.008  -8.543
  585   2HD   ARG  26          2HD       ARG  26  -4.453   1.453  -7.555
  586    HE   ARG  26           HE       ARG  26  -3.293   0.962  -9.472
  587   1HH1  ARG  26          1HH1      ARG  26  -6.644   1.497 -10.254
  588   2HH1  ARG  26          2HH1      ARG  26  -6.380   1.492 -11.965
  589   1HH2  ARG  26          1HH2      ARG  26  -2.934   0.954 -11.725
  590   2HH2  ARG  26          2HH2      ARG  26  -4.269   1.183 -12.802
  591    H    HIS  27           H        HIS  27  -6.590   0.218  -3.752
  592    HA   HIS  27           HA       HIS  27  -9.150  -0.852  -3.267
  593   1HB   HIS  27          1HB       HIS  27  -6.696  -0.379  -1.731
  594   2HB   HIS  27          2HB       HIS  27  -8.161  -0.281  -0.760
  595    HD1  HIS  27           HD1      HIS  27  -9.486  -2.452  -0.388
  596    HD2  HIS  27           HD2      HIS  27  -6.106  -2.931  -2.757
  597    HE1  HIS  27           HE1      HIS  27  -9.137  -4.936  -0.567
  598    HE2  HIS  27           HE2      HIS  27  -7.085  -5.204  -2.006
  599    H    LYS  28           H        LYS  28  -7.876   2.356  -3.033
  600    HA   LYS  28           HA       LYS  28  -9.889   3.386  -1.281
  601   1HB   LYS  28          1HB       LYS  28  -7.536   4.339  -1.766
  602   2HB   LYS  28          2HB       LYS  28  -8.274   5.050  -3.194
  603   1HG   LYS  28          1HG       LYS  28  -9.538   5.487  -0.531
  604   2HG   LYS  28          2HG       LYS  28  -8.097   6.405  -0.973
  605   1HD   LYS  28          1HD       LYS  28 -10.274   6.263  -2.977
  606   2HD   LYS  28          2HD       LYS  28 -10.572   7.239  -1.538
  607   1HE   LYS  28          1HE       LYS  28  -8.024   7.972  -2.268
  608   2HE   LYS  28          2HE       LYS  28  -8.829   7.746  -3.820
  609   1HZ   LYS  28          1HZ       LYS  28 -10.586   9.247  -3.061
  610   2HZ   LYS  28          2HZ       LYS  28  -9.762   9.492  -1.604
  611   3HZ   LYS  28          3HZ       LYS  28  -9.076  10.009  -3.061
  612    H    GLN  29           H        GLN  29  -9.546   2.972  -4.724
  613    HA   GLN  29           HA       GLN  29 -11.703   4.710  -5.443
  614   1HB   GLN  29          1HB       GLN  29  -9.707   3.870  -6.890
  615   2HB   GLN  29          2HB       GLN  29 -10.722   2.462  -7.174
  616   1HG   GLN  29          1HG       GLN  29 -12.061   3.559  -8.583
  617   2HG   GLN  29          2HG       GLN  29 -12.092   5.008  -7.581
  618   2HE2  GLN  29          2HE2      GLN  29 -11.100   6.731  -8.346
  619   1HE2  GLN  29          1HE2      GLN  29  -9.897   6.744  -9.586
  620    H    SER  30           H        SER  30 -11.351   1.294  -4.731
  621    HA   SER  30           HA       SER  30 -13.976   0.572  -5.613
  622   1HB   SER  30          1HB       SER  30 -11.722  -0.851  -5.033
  623   2HB   SER  30          2HB       SER  30 -12.691  -1.149  -3.590
  624    HG   SER  30           HG       SER  30 -12.918  -2.324  -5.917
  625    H    ILE  31           H        ILE  31 -12.504   1.373  -2.501
  626    HA   ILE  31           HA       ILE  31 -14.871   0.844  -0.981
  627    HB   ILE  31           HB       ILE  31 -12.730   0.699   0.106
  628   1HG1  ILE  31          1HG1      ILE  31 -13.076   2.439   1.975
  629   2HG1  ILE  31          2HG1      ILE  31 -14.499   2.941   1.069
  630   1HG2  ILE  31          1HG2      ILE  31 -12.076   2.926  -1.403
  631   2HG2  ILE  31          2HG2      ILE  31 -12.069   3.511   0.261
  632   3HG2  ILE  31          3HG2      ILE  31 -11.062   2.136  -0.196
  633   1HD1  ILE  31          1HD1      ILE  31 -15.353   0.630   1.225
  634   2HD1  ILE  31          2HD1      ILE  31 -13.962   0.222   2.228
  635   3HD1  ILE  31          3HD1      ILE  31 -15.140   1.406   2.793
  636    H    LYS  32           H        LYS  32 -13.618   3.553  -2.746
  637    HA   LYS  32           HA       LYS  32 -15.298   5.508  -1.470
  638   1HB   LYS  32          1HB       LYS  32 -13.171   6.198  -2.426
  639   2HB   LYS  32          2HB       LYS  32 -13.669   5.628  -4.013
  640   1HG   LYS  32          1HG       LYS  32 -15.662   7.410  -3.238
  641   2HG   LYS  32          2HG       LYS  32 -14.147   8.164  -2.737
  642   1HD   LYS  32          1HD       LYS  32 -14.139   6.957  -5.424
  643   2HD   LYS  32          2HD       LYS  32 -15.189   8.362  -5.224
  644   1HE   LYS  32          1HE       LYS  32 -13.366   9.716  -4.506
  645   2HE   LYS  32          2HE       LYS  32 -12.297   8.319  -4.386
  646   1HZ   LYS  32          1HZ       LYS  32 -13.320   8.444  -6.993
  647   2HZ   LYS  32          2HZ       LYS  32 -12.725   9.976  -6.592
  648   3HZ   LYS  32          3HZ       LYS  32 -11.716   8.623  -6.485
  649    H    LYS  33           H        LYS  33 -15.402   3.538  -4.380
  650    HA   LYS  33           HA       LYS  33 -17.763   4.820  -5.410
  651   1HB   LYS  33          1HB       LYS  33 -16.163   3.810  -6.946
  652   2HB   LYS  33          2HB       LYS  33 -16.395   2.239  -6.191
  653   1HG   LYS  33          1HG       LYS  33 -17.871   1.876  -7.818
  654   2HG   LYS  33          2HG       LYS  33 -18.947   2.924  -6.893
  655   1HD   LYS  33          1HD       LYS  33 -18.989   4.351  -8.596
  656   2HD   LYS  33          2HD       LYS  33 -17.251   4.596  -8.417
  657   1HE   LYS  33          1HE       LYS  33 -17.838   2.102  -9.757
  658   2HE   LYS  33          2HE       LYS  33 -18.571   3.469 -10.594
  659   1HZ   LYS  33          1HZ       LYS  33 -16.068   4.344  -9.997
  660   2HZ   LYS  33          2HZ       LYS  33 -15.812   2.720 -10.395
  661   3HZ   LYS  33          3HZ       LYS  33 -16.573   3.753 -11.499
  662    H    LEU  34           H        LEU  34 -17.032   2.144  -3.325
  663    HA   LEU  34           HA       LEU  34 -19.651   0.958  -3.502
  664   1HB   LEU  34          1HB       LEU  34 -17.106   0.344  -2.227
  665   2HB   LEU  34          2HB       LEU  34 -18.471   0.013  -1.179
  666    HG   LEU  34           HG       LEU  34 -18.472  -1.028  -3.986
  667   1HD1  LEU  34          1HD1      LEU  34 -16.301  -1.589  -2.720
  668   2HD1  LEU  34          2HD1      LEU  34 -17.329  -2.618  -1.722
  669   3HD1  LEU  34          3HD1      LEU  34 -17.213  -2.906  -3.458
  670   1HD2  LEU  34          1HD2      LEU  34 -20.394  -1.068  -2.174
  671   2HD2  LEU  34          2HD2      LEU  34 -20.116  -2.432  -3.257
  672   3HD2  LEU  34          3HD2      LEU  34 -19.500  -2.478  -1.605
  673    H    LYS  35           H        LYS  35 -18.010   3.274  -1.466
  674    HA   LYS  35           HA       LYS  35 -20.012   3.264   0.593
  675   1HB   LYS  35          1HB       LYS  35 -18.778   5.051   1.585
  676   2HB   LYS  35          2HB       LYS  35 -17.608   3.905   0.947
  677   1HG   LYS  35          1HG       LYS  35 -17.165   5.314  -0.940
  678   2HG   LYS  35          2HG       LYS  35 -18.464   6.414  -0.476
  679   1HD   LYS  35          1HD       LYS  35 -16.230   5.852   1.431
  680   2HD   LYS  35          2HD       LYS  35 -15.994   7.001   0.112
  681   1HE   LYS  35          1HE       LYS  35 -17.962   8.259   0.886
  682   2HE   LYS  35          2HE       LYS  35 -18.145   7.125   2.224
  683   1HZ   LYS  35          1HZ       LYS  35 -15.505   8.127   2.163
  684   2HZ   LYS  35          2HZ       LYS  35 -16.596   9.419   2.160
  685   3HZ   LYS  35          3HZ       LYS  35 -16.662   8.259   3.389
  686    H    GLN  36           H        GLN  36 -19.334   5.154  -2.291
  687    HA   GLN  36           HA       GLN  36 -21.351   7.127  -1.735
  688   1HB   GLN  36          1HB       GLN  36 -19.272   7.495  -3.140
  689   2HB   GLN  36          2HB       GLN  36 -20.054   6.549  -4.399
  690   1HG   GLN  36          1HG       GLN  36 -20.757   8.551  -5.112
  691   2HG   GLN  36          2HG       GLN  36 -21.994   8.340  -3.873
  692   2HE2  GLN  36          2HE2      GLN  36 -19.198  10.083  -4.856
  693   1HE2  GLN  36          1HE2      GLN  36 -19.189  11.230  -3.565
  694    H    SER  37           H        SER  37 -21.170   4.088  -3.428
  695    HA   SER  37           HA       SER  37 -23.659   4.417  -4.825
  696   1HB   SER  37          1HB       SER  37 -21.669   2.902  -5.480
  697   2HB   SER  37          2HB       SER  37 -22.322   1.770  -4.296
  698    HG   SER  37           HG       SER  37 -23.612   1.174  -5.833
  699    H    GLU  38           H        GLU  38 -22.645   3.230  -1.728
  700    HA   GLU  38           HA       GLU  38 -25.016   1.733  -1.161
  701   1HB   GLU  38          1HB       GLU  38 -22.501   2.054   0.025
  702   2HB   GLU  38          2HB       GLU  38 -23.642   2.694   1.200
  703   1HG   GLU  38          1HG       GLU  38 -24.865   0.382   0.456
  704   2HG   GLU  38          2HG       GLU  38 -23.163  -0.059   0.341
  705    H    ASP  39           H        ASP  39 -24.040   5.054  -0.844
  706    HA   ASP  39           HA       ASP  39 -26.055   5.821   1.024
  707   1HB   ASP  39          1HB       ASP  39 -23.831   7.046  -0.221
  708   2HB   ASP  39          2HB       ASP  39 -25.239   8.019  -0.636
  709    H    ASP  40           H        ASP  40 -25.959   5.362  -2.403
  710    HA   ASP  40           HA       ASP  40 -28.379   6.878  -2.890
  711   1HB   ASP  40          1HB       ASP  40 -26.647   6.856  -4.607
  712   2HB   ASP  40          2HB       ASP  40 -26.742   5.100  -4.712
  713    H    ASP  41           H        ASP  41 -27.388   3.515  -2.594
  714    HA   ASP  41           HA       ASP  41 -28.590   1.621  -2.195
  715   1HB   ASP  41          1HB       ASP  41 -30.000   3.438  -0.855
  716   2HB   ASP  41          2HB       ASP  41 -31.192   3.073  -2.099

  No H/Q in entry =         716
  Start of MODEL    4
    1    H1   ALA   1           H1       ALA   1 -33.807  -8.731  -1.567
    2    H2   ALA   1           H2       ALA   1 -33.185  -7.747  -2.829
    3    H3   ALA   1           H3       ALA   1 -33.393  -9.430  -3.079
    4    HA   ALA   1           HA       ALA   1 -31.648  -9.999  -1.785
    5   1HB   ALA   1          1HB       ALA   1 -30.223  -7.599  -2.490
    6   2HB   ALA   1          2HB       ALA   1 -30.082  -9.225  -3.156
    7   3HB   ALA   1          3HB       ALA   1 -31.283  -8.107  -3.804
    8    H    LEU   2           H        LEU   2 -30.066  -9.528  -0.136
    9    HA   LEU   2           HA       LEU   2 -31.142  -7.706   1.882
   10   1HB   LEU   2          1HB       LEU   2 -28.848  -9.542   2.403
   11   2HB   LEU   2          2HB       LEU   2 -30.112  -9.004   3.492
   12    HG   LEU   2           HG       LEU   2 -31.351 -10.534   1.445
   13   1HD1  LEU   2          1HD1      LEU   2 -28.802 -11.346   1.457
   14   2HD1  LEU   2          2HD1      LEU   2 -29.421 -12.321   2.790
   15   3HD1  LEU   2          3HD1      LEU   2 -30.162 -12.440   1.194
   16   1HD2  LEU   2          1HD2      LEU   2 -31.793 -10.131   4.003
   17   2HD2  LEU   2          2HD2      LEU   2 -32.316 -11.622   3.216
   18   3HD2  LEU   2          3HD2      LEU   2 -30.837 -11.602   4.177
   19    H    LYS   3           H        LYS   3 -28.361  -8.195  -0.153
   20    HA   LYS   3           HA       LYS   3 -26.434  -7.020  -0.469
   21   1HB   LYS   3          1HB       LYS   3 -28.622  -5.192  -0.355
   22   2HB   LYS   3          2HB       LYS   3 -27.227  -4.423   0.390
   23   1HG   LYS   3          1HG       LYS   3 -26.196  -4.150  -1.567
   24   2HG   LYS   3          2HG       LYS   3 -26.590  -5.784  -2.106
   25   1HD   LYS   3          1HD       LYS   3 -29.026  -4.648  -2.243
   26   2HD   LYS   3          2HD       LYS   3 -28.014  -3.235  -2.556
   27   1HE   LYS   3          1HE       LYS   3 -28.056  -5.836  -4.077
   28   2HE   LYS   3          2HE       LYS   3 -28.561  -4.249  -4.656
   29   1HZ   LYS   3          1HZ       LYS   3 -25.983  -3.880  -3.846
   30   2HZ   LYS   3          2HZ       LYS   3 -25.947  -5.406  -4.574
   31   3HZ   LYS   3          3HZ       LYS   3 -26.505  -4.066  -5.444
   32    H    LYS   4           H        LYS   4 -26.998  -8.105   2.255
   33    HA   LYS   4           HA       LYS   4 -25.864  -6.256   4.128
   34   1HB   LYS   4          1HB       LYS   4 -27.453  -8.261   4.574
   35   2HB   LYS   4          2HB       LYS   4 -25.985  -9.228   4.550
   36   1HG   LYS   4          1HG       LYS   4 -25.105  -8.130   6.435
   37   2HG   LYS   4          2HG       LYS   4 -26.293  -6.829   6.327
   38   1HD   LYS   4          1HD       LYS   4 -27.947  -8.927   6.582
   39   2HD   LYS   4          2HD       LYS   4 -26.546  -9.550   7.457
   40   1HE   LYS   4          1HE       LYS   4 -28.049  -8.428   8.988
   41   2HE   LYS   4          2HE       LYS   4 -26.541  -7.524   8.850
   42   1HZ   LYS   4          1HZ       LYS   4 -28.857  -6.825   7.167
   43   2HZ   LYS   4          2HZ       LYS   4 -28.757  -6.259   8.757
   44   3HZ   LYS   4          3HZ       LYS   4 -27.553  -5.856   7.640
   45    H    HIS   5           H        HIS   5 -24.681  -9.065   2.328
   46    HA   HIS   5           HA       HIS   5 -22.145  -9.252   3.482
   47   1HB   HIS   5          1HB       HIS   5 -21.500 -10.304   1.259
   48   2HB   HIS   5          2HB       HIS   5 -22.861 -11.041   2.098
   49    HD1  HIS   5           HD1      HIS   5 -24.571 -11.711   0.458
   50    HD2  HIS   5           HD2      HIS   5 -22.748  -8.131  -0.604
   51    HE1  HIS   5           HE1      HIS   5 -25.712 -10.978  -1.660
   52    HE2  HIS   5           HE2      HIS   5 -24.592  -8.808  -2.286
   53    H    HIS   6           H        HIS   6 -23.446  -6.972   1.231
   54    HA   HIS   6           HA       HIS   6 -21.058  -6.061   0.050
   55   1HB   HIS   6          1HB       HIS   6 -23.797  -5.386  -0.060
   56   2HB   HIS   6          2HB       HIS   6 -22.944  -3.910   0.383
   57    HD1  HIS   6           HD1      HIS   6 -21.289  -6.400  -1.857
   58    HD2  HIS   6           HD2      HIS   6 -23.355  -2.807  -2.162
   59    HE1  HIS   6           HE1      HIS   6 -20.924  -5.613  -4.218
   60    HE2  HIS   6           HE2      HIS   6 -22.184  -3.437  -4.381
   61    H    GLU   7           H        GLU   7 -22.708  -5.175   3.038
   62    HA   GLU   7           HA       GLU   7 -21.114  -2.932   3.663
   63   1HB   GLU   7          1HB       GLU   7 -22.874  -4.765   5.255
   64   2HB   GLU   7          2HB       GLU   7 -21.869  -3.582   6.081
   65   1HG   GLU   7          1HG       GLU   7 -23.014  -2.004   4.234
   66   2HG   GLU   7          2HG       GLU   7 -24.285  -3.208   4.442
   67    H    ASN   8           H        ASN   8 -20.599  -6.343   3.942
   68    HA   ASN   8           HA       ASN   8 -18.511  -6.227   5.885
   69   1HB   ASN   8          1HB       ASN   8 -20.010  -8.247   4.785
   70   2HB   ASN   8          2HB       ASN   8 -18.446  -8.492   4.013
   71   2HD2  ASN   8          2HD2      ASN   8 -20.194  -9.620   6.393
   72   1HD2  ASN   8          1HD2      ASN   8 -18.986  -9.968   7.579
   73    H    GLU   9           H        GLU   9 -18.491  -6.780   2.359
   74    HA   GLU   9           HA       GLU   9 -15.692  -6.668   2.076
   75   1HB   GLU   9          1HB       GLU   9 -17.911  -7.064   0.390
   76   2HB   GLU   9          2HB       GLU   9 -17.043  -5.688  -0.276
   77   1HG   GLU   9          1HG       GLU   9 -16.256  -7.705  -1.306
   78   2HG   GLU   9          2HG       GLU   9 -14.980  -7.029  -0.295
   79    H    ILE  10           H        ILE  10 -18.091  -4.217   2.436
   80    HA   ILE  10           HA       ILE  10 -16.588  -2.069   1.321
   81    HB   ILE  10           HB       ILE  10 -19.214  -2.461   2.399
   82   1HG1  ILE  10          1HG1      ILE  10 -18.774   0.145   1.240
   83   2HG1  ILE  10          2HG1      ILE  10 -17.939  -1.104   0.320
   84   1HG2  ILE  10          1HG2      ILE  10 -18.233  -1.228   4.400
   85   2HG2  ILE  10          2HG2      ILE  10 -18.127   0.173   3.337
   86   3HG2  ILE  10          3HG2      ILE  10 -19.693  -0.562   3.675
   87   1HD1  ILE  10          1HD1      ILE  10 -20.731  -1.668   1.095
   88   2HD1  ILE  10          2HD1      ILE  10 -20.470  -0.421  -0.124
   89   3HD1  ILE  10          3HD1      ILE  10 -19.860  -2.054  -0.389
   90    H    SER  11           H        SER  11 -17.160  -3.238   4.626
   91    HA   SER  11           HA       SER  11 -15.595  -1.255   5.904
   92   1HB   SER  11          1HB       SER  11 -16.765  -3.886   6.695
   93   2HB   SER  11          2HB       SER  11 -15.506  -3.195   7.720
   94    HG   SER  11           HG       SER  11 -17.190  -2.193   8.535
   95    H    HIS  12           H        HIS  12 -14.815  -4.196   4.253
   96    HA   HIS  12           HA       HIS  12 -12.212  -4.472   5.429
   97   1HB   HIS  12          1HB       HIS  12 -12.547  -6.554   4.669
   98   2HB   HIS  12          2HB       HIS  12 -13.938  -6.033   3.736
   99    HD1  HIS  12           HD1      HIS  12 -10.151  -6.177   3.349
  100    HD2  HIS  12           HD2      HIS  12 -13.622  -6.356   1.072
  101    HE1  HIS  12           HE1      HIS  12  -9.392  -6.696   1.008
  102    HE2  HIS  12           HE2      HIS  12 -11.509  -6.802  -0.355
  103    H    HIS  13           H        HIS  13 -13.520  -3.131   2.420
  104    HA   HIS  13           HA       HIS  13 -11.002  -2.570   1.240
  105   1HB   HIS  13          1HB       HIS  13 -13.562  -1.043   0.766
  106   2HB   HIS  13          2HB       HIS  13 -12.191  -1.193  -0.323
  107    HD1  HIS  13           HD1      HIS  13 -12.004  -4.386   0.115
  108    HD2  HIS  13           HD2      HIS  13 -15.324  -2.173  -1.034
  109    HE1  HIS  13           HE1      HIS  13 -13.497  -6.003  -1.106
  110    HE2  HIS  13           HE2      HIS  13 -15.504  -4.642  -1.794
  111    H    ALA  14           H        ALA  14 -12.959  -0.977   3.623
  112    HA   ALA  14           HA       ALA  14 -11.740   1.590   3.445
  113   1HB   ALA  14          1HB       ALA  14 -13.799   0.351   4.999
  114   2HB   ALA  14          2HB       ALA  14 -13.479   2.067   4.746
  115   3HB   ALA  14          3HB       ALA  14 -12.693   1.210   6.071
  116    H    LYS  15           H        LYS  15 -11.392  -1.053   5.816
  117    HA   LYS  15           HA       LYS  15  -9.121   0.126   7.068
  118   1HB   LYS  15          1HB       LYS  15 -10.848  -1.792   7.824
  119   2HB   LYS  15          2HB       LYS  15  -9.532  -2.809   7.252
  120   1HG   LYS  15          1HG       LYS  15  -8.058  -2.030   8.864
  121   2HG   LYS  15          2HG       LYS  15  -9.006  -0.573   9.166
  122   1HD   LYS  15          1HD       LYS  15 -10.835  -2.190   9.983
  123   2HD   LYS  15          2HD       LYS  15  -9.542  -3.388  10.055
  124   1HE   LYS  15          1HE       LYS  15  -8.808  -2.555  11.980
  125   2HE   LYS  15          2HE       LYS  15  -8.683  -0.941  11.281
  126   1HZ   LYS  15          1HZ       LYS  15 -11.149  -0.767  11.683
  127   2HZ   LYS  15          2HZ       LYS  15 -11.020  -2.166  12.624
  128   3HZ   LYS  15          3HZ       LYS  15 -10.176  -0.768  13.067
  129    H    GLU  16           H        GLU  16  -9.535  -1.524   4.136
  130    HA   GLU  16           HA       GLU  16  -6.883  -2.672   4.065
  131   1HB   GLU  16          1HB       GLU  16  -8.739  -3.845   2.975
  132   2HB   GLU  16          2HB       GLU  16  -9.007  -2.463   1.923
  133   1HG   GLU  16          1HG       GLU  16  -7.802  -3.821   0.546
  134   2HG   GLU  16          2HG       GLU  16  -6.511  -2.857   1.262
  135    H    ILE  17           H        ILE  17  -8.565   0.180   2.888
  136    HA   ILE  17           HA       ILE  17  -6.421   0.977   1.133
  137    HB   ILE  17           HB       ILE  17  -8.653   1.717   0.606
  138   1HG1  ILE  17          1HG1      ILE  17  -6.597   3.225   0.225
  139   2HG1  ILE  17          2HG1      ILE  17  -8.192   3.949   0.062
  140   1HG2  ILE  17          1HG2      ILE  17  -8.614   2.932   3.351
  141   2HG2  ILE  17          2HG2      ILE  17  -9.752   3.445   2.104
  142   3HG2  ILE  17          3HG2      ILE  17  -9.761   1.777   2.673
  143   1HD1  ILE  17          1HD1      ILE  17  -7.321   4.226   2.762
  144   2HD1  ILE  17          2HD1      ILE  17  -6.052   4.792   1.675
  145   3HD1  ILE  17          3HD1      ILE  17  -7.673   5.477   1.569
  146    H    GLU  18           H        GLU  18  -7.451   1.719   4.419
  147    HA   GLU  18           HA       GLU  18  -5.476   3.770   4.798
  148   1HB   GLU  18          1HB       GLU  18  -7.773   2.960   6.142
  149   2HB   GLU  18          2HB       GLU  18  -6.468   2.537   7.242
  150   1HG   GLU  18          1HG       GLU  18  -6.511   5.245   6.001
  151   2HG   GLU  18          2HG       GLU  18  -7.592   4.886   7.347
  152    H    ARG  19           H        ARG  19  -5.766   0.336   5.515
  153    HA   ARG  19           HA       ARG  19  -3.349   0.184   7.030
  154   1HB   ARG  19          1HB       ARG  19  -5.128  -1.459   7.339
  155   2HB   ARG  19          2HB       ARG  19  -4.964  -1.980   5.668
  156   1HG   ARG  19          1HG       ARG  19  -3.558  -3.531   6.389
  157   2HG   ARG  19          2HG       ARG  19  -2.411  -2.234   6.729
  158   1HD   ARG  19          1HD       ARG  19  -4.081  -2.163   8.909
  159   2HD   ARG  19          2HD       ARG  19  -3.974  -3.887   8.557
  160    HE   ARG  19           HE       ARG  19  -1.407  -2.667   8.541
  161   1HH1  ARG  19          1HH1      ARG  19  -3.916  -3.829  10.658
  162   2HH1  ARG  19          2HH1      ARG  19  -2.834  -4.164  11.969
  163   1HH2  ARG  19          1HH2      ARG  19   0.026  -3.104  10.260
  164   2HH2  ARG  19          2HH2      ARG  19  -0.593  -3.752  11.743
  165    H    LEU  20           H        LEU  20  -4.182  -0.051   3.652
  166    HA   LEU  20           HA       LEU  20  -1.740  -1.268   2.815
  167   1HB   LEU  20          1HB       LEU  20  -4.084  -0.027   1.502
  168   2HB   LEU  20          2HB       LEU  20  -2.589   0.012   0.594
  169    HG   LEU  20           HG       LEU  20  -4.175  -1.944   0.169
  170   1HD1  LEU  20          1HD1      LEU  20  -1.273  -2.353   0.849
  171   2HD1  LEU  20          2HD1      LEU  20  -2.263  -3.551   0.016
  172   3HD1  LEU  20          3HD1      LEU  20  -1.972  -1.977  -0.725
  173   1HD2  LEU  20          1HD2      LEU  20  -3.947  -2.235   2.933
  174   2HD2  LEU  20          2HD2      LEU  20  -4.692  -3.362   1.801
  175   3HD2  LEU  20          3HD2      LEU  20  -2.998  -3.554   2.251
  176    H    GLN  21           H        GLN  21  -2.916   2.039   3.137
  177    HA   GLN  21           HA       GLN  21  -0.758   3.343   1.893
  178   1HB   GLN  21          1HB       GLN  21  -3.112   4.174   2.906
  179   2HB   GLN  21          2HB       GLN  21  -2.044   4.674   4.211
  180   1HG   GLN  21          1HG       GLN  21  -0.641   5.770   2.358
  181   2HG   GLN  21          2HG       GLN  21  -2.080   5.576   1.360
  182   2HE2  GLN  21          2HE2      GLN  21  -4.096   6.103   3.070
  183   1HE2  GLN  21          1HE2      GLN  21  -3.998   7.729   3.641
  184    H    LYS  22           H        LYS  22  -1.338   2.512   5.305
  185    HA   LYS  22           HA       LYS  22   1.049   3.622   6.307
  186   1HB   LYS  22          1HB       LYS  22  -1.165   2.387   7.395
  187   2HB   LYS  22          2HB       LYS  22   0.120   1.231   7.718
  188   1HG   LYS  22          1HG       LYS  22   0.593   4.098   8.352
  189   2HG   LYS  22          2HG       LYS  22  -0.447   3.148   9.415
  190   1HD   LYS  22          1HD       LYS  22   2.230   2.092   8.596
  191   2HD   LYS  22          2HD       LYS  22   2.107   3.282   9.893
  192   1HE   LYS  22          1HE       LYS  22   0.996   1.843  11.294
  193   2HE   LYS  22          2HE       LYS  22   0.325   0.898   9.966
  194   1HZ   LYS  22          1HZ       LYS  22   2.843   0.320   9.606
  195   2HZ   LYS  22          2HZ       LYS  22   2.948   0.697  11.252
  196   3HZ   LYS  22          3HZ       LYS  22   1.906  -0.530  10.730
  197    H    GLU  23           H        GLU  23   0.303   0.528   4.853
  198    HA   GLU  23           HA       GLU  23   2.688  -0.809   5.585
  199   1HB   GLU  23          1HB       GLU  23   0.406  -1.670   4.538
  200   2HB   GLU  23          2HB       GLU  23   1.296  -1.478   3.034
  201   1HG   GLU  23          1HG       GLU  23   1.601  -3.712   3.663
  202   2HG   GLU  23          2HG       GLU  23   3.108  -2.897   4.082
  203    H    ILE  24           H        ILE  24   1.810   1.247   2.865
  204    HA   ILE  24           HA       ILE  24   4.118   0.711   1.314
  205    HB   ILE  24           HB       ILE  24   3.385   2.266  -0.187
  206   1HG1  ILE  24          1HG1      ILE  24   1.953   4.315   0.599
  207   2HG1  ILE  24          2HG1      ILE  24   2.662   3.972   2.174
  208   1HG2  ILE  24          1HG2      ILE  24   1.441   0.771   0.777
  209   2HG2  ILE  24          2HG2      ILE  24   0.771   2.344   1.210
  210   3HG2  ILE  24          3HG2      ILE  24   1.150   1.979  -0.473
  211   1HD1  ILE  24          1HD1      ILE  24   4.745   3.949   0.252
  212   2HD1  ILE  24          2HD1      ILE  24   3.777   5.405   0.008
  213   3HD1  ILE  24          3HD1      ILE  24   4.484   5.073   1.589
  214    H    GLU  25           H        GLU  25   3.367   3.118   3.776
  215    HA   GLU  25           HA       GLU  25   5.679   4.679   3.565
  216   1HB   GLU  25          1HB       GLU  25   3.611   5.202   4.916
  217   2HB   GLU  25          2HB       GLU  25   4.196   4.068   6.125
  218   1HG   GLU  25          1HG       GLU  25   5.110   5.893   7.039
  219   2HG   GLU  25          2HG       GLU  25   6.371   5.636   5.834
  220    H    ARG  26           H        ARG  26   5.013   1.755   5.451
  221    HA   ARG  26           HA       ARG  26   7.385   1.622   6.902
  222   1HB   ARG  26          1HB       ARG  26   5.475   0.138   7.315
  223   2HB   ARG  26          2HB       ARG  26   5.746  -0.656   5.769
  224   1HG   ARG  26          1HG       ARG  26   7.376  -1.951   6.585
  225   2HG   ARG  26          2HG       ARG  26   8.089  -0.634   7.518
  226   1HD   ARG  26          1HD       ARG  26   5.508  -1.885   8.375
  227   2HD   ARG  26          2HD       ARG  26   7.046  -2.653   8.764
  228    HE   ARG  26           HE       ARG  26   6.928   0.126   9.487
  229   1HH1  ARG  26          1HH1      ARG  26   6.207  -3.128  10.494
  230   2HH1  ARG  26          2HH1      ARG  26   6.241  -2.751  12.184
  231   1HH2  ARG  26          1HH2      ARG  26   6.976   0.634  11.710
  232   2HH2  ARG  26          2HH2      ARG  26   6.678  -0.612  12.875
  233    H    HIS  27           H        HIS  27   6.614   0.209   3.729
  234    HA   HIS  27           HA       HIS  27   9.169  -0.872   3.247
  235   1HB   HIS  27          1HB       HIS  27   6.743  -0.321   1.655
  236   2HB   HIS  27          2HB       HIS  27   8.244  -0.375   0.738
  237    HD1  HIS  27           HD1      HIS  27   9.739  -2.664   1.894
  238    HD2  HIS  27           HD2      HIS  27   5.615  -2.758   1.393
  239    HE1  HIS  27           HE1      HIS  27   9.125  -5.103   1.831
  240    HE2  HIS  27           HE2      HIS  27   6.623  -5.136   1.528
  241    H    LYS  28           H        LYS  28   7.917   2.342   3.028
  242    HA   LYS  28           HA       LYS  28   9.921   3.381   1.274
  243   1HB   LYS  28          1HB       LYS  28   7.607   4.368   1.755
  244   2HB   LYS  28          2HB       LYS  28   8.303   4.982   3.249
  245   1HG   LYS  28          1HG       LYS  28  10.127   5.843   1.439
  246   2HG   LYS  28          2HG       LYS  28   8.641   5.906   0.488
  247   1HD   LYS  28          1HD       LYS  28   8.507   7.963   1.441
  248   2HD   LYS  28          2HD       LYS  28   7.743   7.036   2.733
  249   1HE   LYS  28          1HE       LYS  28   9.370   8.506   3.705
  250   2HE   LYS  28          2HE       LYS  28   9.959   6.849   3.835
  251   1HZ   LYS  28          1HZ       LYS  28  10.760   8.530   1.553
  252   2HZ   LYS  28          2HZ       LYS  28  11.553   8.686   3.038
  253   3HZ   LYS  28          3HZ       LYS  28  11.557   7.200   2.229
  254    H    GLN  29           H        GLN  29   9.613   2.891   4.709
  255    HA   GLN  29           HA       GLN  29  11.807   4.583   5.438
  256   1HB   GLN  29          1HB       GLN  29   9.836   3.853   6.915
  257   2HB   GLN  29          2HB       GLN  29  10.701   2.334   7.108
  258   1HG   GLN  29          1HG       GLN  29  12.062   3.204   8.625
  259   2HG   GLN  29          2HG       GLN  29  12.423   4.597   7.605
  260   2HE2  GLN  29          2HE2      GLN  29  11.807   4.226  10.535
  261   1HE2  GLN  29          1HE2      GLN  29  10.567   5.385  10.859
  262    H    SER  30           H        SER  30  11.387   1.217   4.592
  263    HA   SER  30           HA       SER  30  13.997   0.411   5.480
  264   1HB   SER  30          1HB       SER  30  11.800  -0.891   3.902
  265   2HB   SER  30          2HB       SER  30  13.401  -1.630   3.956
  266    HG   SER  30           HG       SER  30  12.614  -2.474   5.729
  267    H    ILE  31           H        ILE  31  12.542   1.354   2.412
  268    HA   ILE  31           HA       ILE  31  14.888   0.805   0.861
  269    HB   ILE  31           HB       ILE  31  12.759   0.714  -0.237
  270   1HG1  ILE  31          1HG1      ILE  31  13.080   2.579  -2.016
  271   2HG1  ILE  31          2HG1      ILE  31  14.539   2.977  -1.118
  272   1HG2  ILE  31          1HG2      ILE  31  12.131   2.922   1.349
  273   2HG2  ILE  31          2HG2      ILE  31  12.047   3.501  -0.314
  274   3HG2  ILE  31          3HG2      ILE  31  11.085   2.110   0.184
  275   1HD1  ILE  31          1HD1      ILE  31  14.005   0.203  -2.099
  276   2HD1  ILE  31          2HD1      ILE  31  14.750   1.428  -3.122
  277   3HD1  ILE  31          3HD1      ILE  31  15.538   0.932  -1.625
  278    H    LYS  32           H        LYS  32  13.633   3.527   2.636
  279    HA   LYS  32           HA       LYS  32  15.413   5.443   1.428
  280   1HB   LYS  32          1HB       LYS  32  13.128   5.946   2.448
  281   2HB   LYS  32          2HB       LYS  32  13.906   5.782   4.017
  282   1HG   LYS  32          1HG       LYS  32  14.059   8.034   3.725
  283   2HG   LYS  32          2HG       LYS  32  15.586   7.529   2.999
  284   1HD   LYS  32          1HD       LYS  32  13.305   7.554   1.153
  285   2HD   LYS  32          2HD       LYS  32  13.745   9.138   1.796
  286   1HE   LYS  32          1HE       LYS  32  15.774   7.255   0.622
  287   2HE   LYS  32          2HE       LYS  32  14.875   8.407  -0.366
  288   1HZ   LYS  32          1HZ       LYS  32  16.221   9.430   2.018
  289   2HZ   LYS  32          2HZ       LYS  32  17.192   9.003   0.701
  290   3HZ   LYS  32          3HZ       LYS  32  15.977  10.167   0.515
  291    H    LYS  33           H        LYS  33  15.359   3.437   4.305
  292    HA   LYS  33           HA       LYS  33  17.666   4.691   5.482
  293   1HB   LYS  33          1HB       LYS  33  16.051   3.692   6.962
  294   2HB   LYS  33          2HB       LYS  33  16.176   2.146   6.135
  295   1HG   LYS  33          1HG       LYS  33  18.520   1.970   6.886
  296   2HG   LYS  33          2HG       LYS  33  18.314   3.474   7.785
  297   1HD   LYS  33          1HD       LYS  33  16.786   2.505   9.275
  298   2HD   LYS  33          2HD       LYS  33  16.492   1.127   8.212
  299   1HE   LYS  33          1HE       LYS  33  19.158   0.891   8.640
  300   2HE   LYS  33          2HE       LYS  33  18.636   1.588  10.173
  301   1HZ   LYS  33          1HZ       LYS  33  17.405  -0.817   8.942
  302   2HZ   LYS  33          2HZ       LYS  33  18.623  -0.876  10.116
  303   3HZ   LYS  33          3HZ       LYS  33  17.117  -0.203  10.493
  304    H    LEU  34           H        LEU  34  17.024   2.009   3.362
  305    HA   LEU  34           HA       LEU  34  19.635   0.838   3.630
  306   1HB   LEU  34          1HB       LEU  34  17.171   0.284   2.122
  307   2HB   LEU  34          2HB       LEU  34  18.650  -0.157   1.290
  308    HG   LEU  34           HG       LEU  34  18.222  -1.057   4.113
  309   1HD1  LEU  34          1HD1      LEU  34  16.188  -1.589   2.690
  310   2HD1  LEU  34          2HD1      LEU  34  17.252  -2.630   1.745
  311   3HD1  LEU  34          3HD1      LEU  34  16.997  -2.954   3.460
  312   1HD2  LEU  34          1HD2      LEU  34  20.217  -1.389   2.174
  313   2HD2  LEU  34          2HD2      LEU  34  20.082  -2.205   3.733
  314   3HD2  LEU  34          3HD2      LEU  34  19.387  -2.941   2.289
  315    H    LYS  35           H        LYS  35  18.068   3.148   1.521
  316    HA   LYS  35           HA       LYS  35  20.147   3.178  -0.447
  317   1HB   LYS  35          1HB       LYS  35  17.617   3.984  -0.543
  318   2HB   LYS  35          2HB       LYS  35  18.337   5.517  -0.072
  319   1HG   LYS  35          1HG       LYS  35  19.909   5.217  -2.039
  320   2HG   LYS  35          2HG       LYS  35  18.839   3.913  -2.558
  321   1HD   LYS  35          1HD       LYS  35  17.635   6.550  -1.882
  322   2HD   LYS  35          2HD       LYS  35  18.505   6.391  -3.408
  323   1HE   LYS  35          1HE       LYS  35  16.154   4.754  -2.474
  324   2HE   LYS  35          2HE       LYS  35  16.172   5.936  -3.782
  325   1HZ   LYS  35          1HZ       LYS  35  17.998   4.391  -4.736
  326   2HZ   LYS  35          2HZ       LYS  35  17.320   3.228  -3.713
  327   3HZ   LYS  35          3HZ       LYS  35  16.372   3.960  -4.909
  328    H    GLN  36           H        GLN  36  19.379   5.046   2.436
  329    HA   GLN  36           HA       GLN  36  21.401   7.020   2.015
  330   1HB   GLN  36          1HB       GLN  36  19.497   7.558   3.399
  331   2HB   GLN  36          2HB       GLN  36  19.850   6.219   4.482
  332   1HG   GLN  36          1HG       GLN  36  20.582   8.143   5.597
  333   2HG   GLN  36          2HG       GLN  36  22.043   7.374   4.979
  334   2HE2  GLN  36          2HE2      GLN  36  23.180   8.344   3.311
  335   1HE2  GLN  36          1HE2      GLN  36  22.917   9.986   2.843
  336    H    SER  37           H        SER  37  21.235   3.926   3.649
  337    HA   SER  37           HA       SER  37  23.690   4.164   5.060
  338   1HB   SER  37          1HB       SER  37  22.006   1.788   4.262
  339   2HB   SER  37          2HB       SER  37  23.502   1.623   5.181
  340    HG   SER  37           HG       SER  37  22.414   2.149   6.886
  341    H    GLU  38           H        GLU  38  22.824   3.205   1.825
  342    HA   GLU  38           HA       GLU  38  25.224   1.866   1.154
  343   1HB   GLU  38          1HB       GLU  38  22.795   2.539  -0.137
  344   2HB   GLU  38          2HB       GLU  38  24.094   3.181  -1.133
  345   1HG   GLU  38          1HG       GLU  38  25.142   0.836  -0.864
  346   2HG   GLU  38          2HG       GLU  38  23.518   0.348  -0.378
  347    H    ASP  39           H        ASP  39  24.343   5.213   1.367
  348    HA   ASP  39           HA       ASP  39  26.384   6.289  -0.270
  349   1HB   ASP  39          1HB       ASP  39  24.462   7.634   0.345
  350   2HB   ASP  39          2HB       ASP  39  24.872   7.500   2.053
  351    H    ASP  40           H        ASP  40  26.353   5.041   2.955
  352    HA   ASP  40           HA       ASP  40  28.049   4.593   4.410
  353   1HB   ASP  40          1HB       ASP  40  29.329   4.665   1.947
  354   2HB   ASP  40          2HB       ASP  40  30.270   5.774   2.939
  355    H    ASP  41           H        ASP  41  29.295   5.662   6.012
  356    HA   ASP  41           HA       ASP  41  28.774   8.544   6.107
  357   1HB   ASP  41          1HB       ASP  41  28.443   6.519   7.996
  358   2HB   ASP  41          2HB       ASP  41  29.869   7.397   8.541
  359    H1   ALA   1           H1       ALA   1  33.802  -8.736   1.574
  360    H2   ALA   1           H2       ALA   1  33.180  -7.755   2.837
  361    H3   ALA   1           H3       ALA   1  33.388  -9.439   3.084
  362    HA   ALA   1           HA       ALA   1  31.645 -10.003   1.787
  363   1HB   ALA   1          1HB       ALA   1  30.218  -7.604   2.495
  364   2HB   ALA   1          2HB       ALA   1  31.276  -8.115   3.810
  365   3HB   ALA   1          3HB       ALA   1  30.077  -9.233   3.159
  366    H    LEU   2           H        LEU   2  30.062  -9.529   0.138
  367    HA   LEU   2           HA       LEU   2  31.140  -7.704  -1.875
  368   1HB   LEU   2          1HB       LEU   2  28.847  -9.538  -2.402
  369   2HB   LEU   2          2HB       LEU   2  30.112  -8.999  -3.490
  370    HG   LEU   2           HG       LEU   2  31.349 -10.533  -1.444
  371   1HD1  LEU   2          1HD1      LEU   2  28.802 -11.345  -1.459
  372   2HD1  LEU   2          2HD1      LEU   2  29.421 -12.317  -2.793
  373   3HD1  LEU   2          3HD1      LEU   2  30.159 -12.439  -1.197
  374   1HD2  LEU   2          1HD2      LEU   2  31.793 -10.126  -4.000
  375   2HD2  LEU   2          2HD2      LEU   2  32.316 -11.617  -3.216
  376   3HD2  LEU   2          3HD2      LEU   2  30.838 -11.598  -4.178
  377    H    LYS   3           H        LYS   3  28.359  -8.197   0.156
  378    HA   LYS   3           HA       LYS   3  26.430  -7.022   0.471
  379   1HB   LYS   3          1HB       LYS   3  28.619  -5.194   0.361
  380   2HB   LYS   3          2HB       LYS   3  27.224  -4.424  -0.381
  381   1HG   LYS   3          1HG       LYS   3  26.192  -4.155   1.575
  382   2HG   LYS   3          2HG       LYS   3  26.587  -5.790   2.111
  383   1HD   LYS   3          1HD       LYS   3  29.021  -4.654   2.253
  384   2HD   LYS   3          2HD       LYS   3  28.010  -3.242   2.567
  385   1HE   LYS   3          1HE       LYS   3  28.051  -5.846   4.083
  386   2HE   LYS   3          2HE       LYS   3  28.555  -4.259   4.666
  387   1HZ   LYS   3          1HZ       LYS   3  25.978  -3.888   3.854
  388   2HZ   LYS   3          2HZ       LYS   3  25.942  -5.415   4.580
  389   3HZ   LYS   3          3HZ       LYS   3  26.499  -4.078   5.453
  390    H    LYS   4           H        LYS   4  26.998  -8.103  -2.254
  391    HA   LYS   4           HA       LYS   4  25.865  -6.251  -4.124
  392   1HB   LYS   4          1HB       LYS   4  27.456  -8.253  -4.573
  393   2HB   LYS   4          2HB       LYS   4  25.989  -9.222  -4.551
  394   1HG   LYS   4          1HG       LYS   4  25.107  -8.123  -6.433
  395   2HG   LYS   4          2HG       LYS   4  26.294  -6.820  -6.325
  396   1HD   LYS   4          1HD       LYS   4  27.949  -8.918  -6.583
  397   2HD   LYS   4          2HD       LYS   4  26.549  -9.539  -7.460
  398   1HE   LYS   4          1HE       LYS   4  28.052  -8.413  -8.988
  399   2HE   LYS   4          2HE       LYS   4  26.544  -7.511  -8.849
  400   1HZ   LYS   4          1HZ       LYS   4  28.859  -6.815  -7.162
  401   2HZ   LYS   4          2HZ       LYS   4  28.761  -6.245  -8.751
  402   3HZ   LYS   4          3HZ       LYS   4  27.555  -5.844  -7.634
  403    H    HIS   5           H        HIS   5  24.683  -9.062  -2.329
  404    HA   HIS   5           HA       HIS   5  22.147  -9.247  -3.486
  405   1HB   HIS   5          1HB       HIS   5  21.500 -10.305  -1.266
  406   2HB   HIS   5          2HB       HIS   5  22.862 -11.040  -2.106
  407    HD1  HIS   5           HD1      HIS   5  24.572 -11.712  -0.465
  408    HD2  HIS   5           HD2      HIS   5  22.745  -8.136   0.602
  409    HE1  HIS   5           HE1      HIS   5  25.709 -10.983   1.657
  410    HE2  HIS   5           HE2      HIS   5  24.588  -8.815   2.285
  411    H    HIS   6           H        HIS   6  23.445  -6.973  -1.228
  412    HA   HIS   6           HA       HIS   6  21.058  -6.066  -0.047
  413   1HB   HIS   6          1HB       HIS   6  23.796  -5.391   0.067
  414   2HB   HIS   6          2HB       HIS   6  22.945  -3.914  -0.375
  415    HD1  HIS   6           HD1      HIS   6  21.285  -6.406   1.860
  416    HD2  HIS   6           HD2      HIS   6  23.352  -2.814   2.172
  417    HE1  HIS   6           HE1      HIS   6  20.918  -5.621   4.220
  418    HE2  HIS   6           HE2      HIS   6  22.177  -3.445   4.388
  419    H    GLU   7           H        GLU   7  22.707  -5.176  -3.033
  420    HA   GLU   7           HA       GLU   7  21.115  -2.930  -3.654
  421   1HB   GLU   7          1HB       GLU   7  22.879  -4.758  -5.247
  422   2HB   GLU   7          2HB       GLU   7  21.874  -3.576  -6.073
  423   1HG   GLU   7          1HG       GLU   7  23.013  -1.998  -4.222
  424   2HG   GLU   7          2HG       GLU   7  24.287  -3.199  -4.430
  425    H    ASN   8           H        ASN   8  20.592  -6.339  -3.929
  426    HA   ASN   8           HA       ASN   8  18.508  -6.215  -5.878
  427   1HB   ASN   8          1HB       ASN   8  20.006  -8.241  -4.784
  428   2HB   ASN   8          2HB       ASN   8  18.439  -8.487  -4.017
  429   2HD2  ASN   8          2HD2      ASN   8  20.193  -9.609  -6.397
  430   1HD2  ASN   8          1HD2      ASN   8  18.987  -9.949  -7.587
  431    H    GLU   9           H        GLU   9  18.488  -6.783  -2.353
  432    HA   GLU   9           HA       GLU   9  15.690  -6.670  -2.068
  433   1HB   GLU   9          1HB       GLU   9  17.910  -7.068  -0.384
  434   2HB   GLU   9          2HB       GLU   9  17.044  -5.692   0.285
  435   1HG   GLU   9          1HG       GLU   9  16.259  -7.712   1.312
  436   2HG   GLU   9          2HG       GLU   9  14.981  -7.032   0.305
  437    H    ILE  10           H        ILE  10  18.091  -4.219  -2.426
  438    HA   ILE  10           HA       ILE  10  16.592  -2.070  -1.310
  439    HB   ILE  10           HB       ILE  10  19.213  -2.464  -2.394
  440   1HG1  ILE  10          1HG1      ILE  10  18.775   0.151  -1.254
  441   2HG1  ILE  10          2HG1      ILE  10  17.942  -1.091  -0.322
  442   1HG2  ILE  10          1HG2      ILE  10  17.734  -0.199  -3.679
  443   2HG2  ILE  10          2HG2      ILE  10  19.463  -0.095  -3.356
  444   3HG2  ILE  10          3HG2      ILE  10  18.839  -1.368  -4.403
  445   1HD1  ILE  10          1HD1      ILE  10  20.740  -1.642  -1.103
  446   2HD1  ILE  10          2HD1      ILE  10  20.464  -0.410   0.129
  447   3HD1  ILE  10          3HD1      ILE  10  19.867  -2.051   0.374
  448    H    SER  11           H        SER  11  17.182  -3.205  -4.628
  449    HA   SER  11           HA       SER  11  15.598  -1.235  -5.891
  450   1HB   SER  11          1HB       SER  11  16.773  -3.858  -6.695
  451   2HB   SER  11          2HB       SER  11  15.511  -3.167  -7.715
  452    HG   SER  11           HG       SER  11  17.202  -2.170  -8.528
  453    H    HIS  12           H        HIS  12  14.822  -4.176  -4.241
  454    HA   HIS  12           HA       HIS  12  12.221  -4.455  -5.423
  455   1HB   HIS  12          1HB       HIS  12  12.561  -6.539  -4.675
  456   2HB   HIS  12          2HB       HIS  12  13.947  -6.019  -3.734
  457    HD1  HIS  12           HD1      HIS  12  10.159  -6.165  -3.358
  458    HD2  HIS  12           HD2      HIS  12  13.624  -6.364  -1.075
  459    HE1  HIS  12           HE1      HIS  12   9.394  -6.700  -1.022
  460    HE2  HIS  12           HE2      HIS  12  11.508  -6.817   0.344
  461    H    HIS  13           H        HIS  13  13.521  -3.120  -2.405
  462    HA   HIS  13           HA       HIS  13  10.994  -2.572  -1.237
  463   1HB   HIS  13          1HB       HIS  13  13.543  -1.041  -0.720
  464   2HB   HIS  13          2HB       HIS  13  12.165  -1.219   0.355
  465    HD1  HIS  13           HD1      HIS  13  11.999  -4.402  -0.107
  466    HD2  HIS  13           HD2      HIS  13  15.311  -2.183   1.053
  467    HE1  HIS  13           HE1      HIS  13  13.501  -6.021   1.101
  468    HE2  HIS  13           HE2      HIS  13  15.504  -4.657   1.793
  469    H    ALA  14           H        ALA  14  12.961  -0.962  -3.598
  470    HA   ALA  14           HA       ALA  14  11.738   1.603  -3.406
  471   1HB   ALA  14          1HB       ALA  14  13.815   0.381  -4.948
  472   2HB   ALA  14          2HB       ALA  14  13.485   2.094  -4.690
  473   3HB   ALA  14          3HB       ALA  14  12.716   1.239  -6.026
  474    H    LYS  15           H        LYS  15  11.404  -1.035  -5.784
  475    HA   LYS  15           HA       LYS  15   9.143   0.152  -7.051
  476   1HB   LYS  15          1HB       LYS  15  10.872  -1.753  -7.816
  477   2HB   LYS  15          2HB       LYS  15   9.569  -2.782  -7.239
  478   1HG   LYS  15          1HG       LYS  15   8.077  -2.011  -8.842
  479   2HG   LYS  15          2HG       LYS  15   9.018  -0.551  -9.154
  480   1HD   LYS  15          1HD       LYS  15  10.849  -2.170  -9.974
  481   2HD   LYS  15          2HD       LYS  15   9.552  -3.366 -10.040
  482   1HE   LYS  15          1HE       LYS  15   8.815  -2.534 -11.963
  483   2HE   LYS  15          2HE       LYS  15   8.691  -0.921 -11.265
  484   1HZ   LYS  15          1HZ       LYS  15  11.156  -0.746 -11.673
  485   2HZ   LYS  15          2HZ       LYS  15  11.025  -2.144 -12.615
  486   3HZ   LYS  15          3HZ       LYS  15  10.179  -0.747 -13.054
  487    H    GLU  16           H        GLU  16   9.540  -1.518  -4.128
  488    HA   GLU  16           HA       GLU  16   6.887  -2.663  -4.076
  489   1HB   GLU  16          1HB       GLU  16   8.736  -3.841  -2.981
  490   2HB   GLU  16          2HB       GLU  16   9.000  -2.462  -1.923
  491   1HG   GLU  16          1HG       GLU  16   7.788  -3.824  -0.555
  492   2HG   GLU  16          2HG       GLU  16   6.500  -2.858  -1.275
  493    H    ILE  17           H        ILE  17   8.559   0.184  -2.882
  494    HA   ILE  17           HA       ILE  17   6.416   0.977  -1.129
  495    HB   ILE  17           HB       ILE  17   8.648   1.717  -0.604
  496   1HG1  ILE  17          1HG1      ILE  17   6.592   3.225  -0.219
  497   2HG1  ILE  17          2HG1      ILE  17   8.187   3.949  -0.058
  498   1HG2  ILE  17          1HG2      ILE  17   8.603   2.910  -3.356
  499   2HG2  ILE  17          2HG2      ILE  17   9.726   3.464  -2.114
  500   3HG2  ILE  17          3HG2      ILE  17   9.768   1.787  -2.655
  501   1HD1  ILE  17          1HD1      ILE  17   7.312   4.229  -2.756
  502   2HD1  ILE  17          2HD1      ILE  17   6.044   4.793  -1.667
  503   3HD1  ILE  17          3HD1      ILE  17   7.666   5.478  -1.562
  504    H    GLU  18           H        GLU  18   7.449   1.730  -4.412
  505    HA   GLU  18           HA       GLU  18   5.473   3.779  -4.791
  506   1HB   GLU  18          1HB       GLU  18   7.771   2.970  -6.134
  507   2HB   GLU  18          2HB       GLU  18   6.466   2.551  -7.235
  508   1HG   GLU  18          1HG       GLU  18   6.511   5.256  -5.989
  509   2HG   GLU  18          2HG       GLU  18   7.593   4.900  -7.334
  510    H    ARG  19           H        ARG  19   5.763   0.347  -5.515
  511    HA   ARG  19           HA       ARG  19   3.347   0.197  -7.031
  512   1HB   ARG  19          1HB       ARG  19   5.127  -1.445  -7.343
  513   2HB   ARG  19          2HB       ARG  19   4.963  -1.968  -5.672
  514   1HG   ARG  19          1HG       ARG  19   3.557  -3.519  -6.395
  515   2HG   ARG  19          2HG       ARG  19   2.409  -2.222  -6.735
  516   1HD   ARG  19          1HD       ARG  19   4.084  -2.149  -8.913
  517   2HD   ARG  19          2HD       ARG  19   3.974  -3.873  -8.563
  518    HE   ARG  19           HE       ARG  19   1.408  -2.652  -8.548
  519   1HH1  ARG  19          1HH1      ARG  19   3.918  -3.811 -10.665
  520   2HH1  ARG  19          2HH1      ARG  19   2.839  -4.143 -11.977
  521   1HH2  ARG  19          1HH2      ARG  19  -0.024  -3.086 -10.270
  522   2HH2  ARG  19          2HH2      ARG  19   0.597  -3.730 -11.753
  523    H    LEU  20           H        LEU  20   4.178  -0.043  -3.653
  524    HA   LEU  20           HA       LEU  20   1.737  -1.263  -2.819
  525   1HB   LEU  20          1HB       LEU  20   4.082  -0.027  -1.504
  526   2HB   LEU  20          2HB       LEU  20   2.587   0.013  -0.596
  527    HG   LEU  20           HG       LEU  20   4.171  -1.946  -0.175
  528   1HD1  LEU  20          1HD1      LEU  20   1.267  -2.351  -0.855
  529   2HD1  LEU  20          2HD1      LEU  20   2.256  -3.550  -0.023
  530   3HD1  LEU  20          3HD1      LEU  20   1.967  -1.978   0.720
  531   1HD2  LEU  20          1HD2      LEU  20   3.939  -2.232  -2.939
  532   2HD2  LEU  20          2HD2      LEU  20   4.686  -3.360  -1.809
  533   3HD2  LEU  20          3HD2      LEU  20   2.992  -3.553  -2.258
  534    H    GLN  21           H        GLN  21   2.912   2.043  -3.137
  535    HA   GLN  21           HA       GLN  21   0.755   3.346  -1.889
  536   1HB   GLN  21          1HB       GLN  21   3.110   4.179  -2.900
  537   2HB   GLN  21          2HB       GLN  21   2.042   4.682  -4.203
  538   1HG   GLN  21          1HG       GLN  21   0.638   5.775  -2.348
  539   2HG   GLN  21          2HG       GLN  21   2.078   5.577  -1.349
  540   2HE2  GLN  21          2HE2      GLN  21   4.094   6.106  -3.057
  541   1HE2  GLN  21          1HE2      GLN  21   3.997   7.736  -3.625
  542    H    LYS  22           H        LYS  22   1.337   2.521  -5.301
  543    HA   LYS  22           HA       LYS  22  -1.050   3.633  -6.303
  544   1HB   LYS  22          1HB       LYS  22   1.165   2.401  -7.392
  545   2HB   LYS  22          2HB       LYS  22  -0.119   1.245  -7.718
  546   1HG   LYS  22          1HG       LYS  22  -0.592   4.114  -8.346
  547   2HG   LYS  22          2HG       LYS  22   0.449   3.167  -9.410
  548   1HD   LYS  22          1HD       LYS  22  -2.228   2.109  -8.597
  549   2HD   LYS  22          2HD       LYS  22  -2.104   3.301  -9.891
  550   1HE   LYS  22          1HE       LYS  22  -0.993   1.864 -11.294
  551   2HE   LYS  22          2HE       LYS  22  -0.322   0.918  -9.967
  552   1HZ   LYS  22          1HZ       LYS  22  -2.838   0.337  -9.610
  553   2HZ   LYS  22          2HZ       LYS  22  -2.943   0.717 -11.256
  554   3HZ   LYS  22          3HZ       LYS  22  -1.901  -0.509 -10.735
  555    H    GLU  23           H        GLU  23  -0.304   0.539  -4.852
  556    HA   GLU  23           HA       GLU  23  -2.689  -0.799  -5.588
  557   1HB   GLU  23          1HB       GLU  23  -0.408  -1.661  -4.542
  558   2HB   GLU  23          2HB       GLU  23  -1.299  -1.472  -3.038
  559   1HG   GLU  23          1HG       GLU  23  -1.603  -3.704  -3.672
  560   2HG   GLU  23          2HG       GLU  23  -3.109  -2.890  -4.091
  561    H    ILE  24           H        ILE  24  -1.812   1.252  -2.863
  562    HA   ILE  24           HA       ILE  24  -4.121   0.714  -1.315
  563    HB   ILE  24           HB       ILE  24  -3.389   2.266   0.189
  564   1HG1  ILE  24          1HG1      ILE  24  -1.958   4.317  -0.592
  565   2HG1  ILE  24          2HG1      ILE  24  -2.665   3.977  -2.169
  566   1HG2  ILE  24          1HG2      ILE  24  -1.444   0.774  -0.777
  567   2HG2  ILE  24          2HG2      ILE  24  -0.773   2.348  -1.205
  568   3HG2  ILE  24          3HG2      ILE  24  -1.156   1.979   0.477
  569   1HD1  ILE  24          1HD1      ILE  24  -4.749   3.949  -0.249
  570   2HD1  ILE  24          2HD1      ILE  24  -3.784   5.406  -0.003
  571   3HD1  ILE  24          3HD1      ILE  24  -4.488   5.074  -1.585
  572    H    GLU  25           H        GLU  25  -3.368   3.125  -3.773
  573    HA   GLU  25           HA       GLU  25  -5.681   4.684  -3.561
  574   1HB   GLU  25          1HB       GLU  25  -3.612   5.211  -4.908
  575   2HB   GLU  25          2HB       GLU  25  -4.195   4.079  -6.120
  576   1HG   GLU  25          1HG       GLU  25  -5.109   5.905  -7.032
  577   2HG   GLU  25          2HG       GLU  25  -6.370   5.646  -5.828
  578    H    ARG  26           H        ARG  26  -5.012   1.763  -5.450
  579    HA   ARG  26           HA       ARG  26  -7.380   1.632  -6.906
  580   1HB   ARG  26          1HB       ARG  26  -5.471   0.148  -7.318
  581   2HB   ARG  26          2HB       ARG  26  -5.744  -0.648  -5.773
  582   1HG   ARG  26          1HG       ARG  26  -7.370  -1.942  -6.593
  583   2HG   ARG  26          2HG       ARG  26  -8.084  -0.623  -7.523
  584   1HD   ARG  26          1HD       ARG  26  -5.502  -1.870  -8.383
  585   2HD   ARG  26          2HD       ARG  26  -7.040  -2.639  -8.775
  586    HE   ARG  26           HE       ARG  26  -6.922   0.142  -9.490
  587   1HH1  ARG  26          1HH1      ARG  26  -6.201  -3.110 -10.505
  588   2HH1  ARG  26          2HH1      ARG  26  -6.236  -2.728 -12.195
  589   1HH2  ARG  26          1HH2      ARG  26  -6.971   0.656 -11.712
  590   2HH2  ARG  26          2HH2      ARG  26  -6.673  -0.587 -12.881
  591    H    HIS  27           H        HIS  27  -6.615   0.221  -3.730
  592    HA   HIS  27           HA       HIS  27  -9.172  -0.861  -3.256
  593   1HB   HIS  27          1HB       HIS  27  -6.748  -0.315  -1.660
  594   2HB   HIS  27          2HB       HIS  27  -8.250  -0.369  -0.744
  595    HD1  HIS  27           HD1      HIS  27  -9.743  -2.656  -1.910
  596    HD2  HIS  27           HD2      HIS  27  -5.620  -2.753  -1.395
  597    HE1  HIS  27           HE1      HIS  27  -9.131  -5.095  -1.847
  598    HE2  HIS  27           HE2      HIS  27  -6.630  -5.131  -1.535
  599    H    LYS  28           H        LYS  28  -7.917   2.351  -3.030
  600    HA   LYS  28           HA       LYS  28  -9.923   3.388  -1.278
  601   1HB   LYS  28          1HB       LYS  28  -7.607   4.373  -1.748
  602   2HB   LYS  28          2HB       LYS  28  -8.297   4.991  -3.243
  603   1HG   LYS  28          1HG       LYS  28 -10.125   5.849  -1.433
  604   2HG   LYS  28          2HG       LYS  28  -8.639   5.912  -0.483
  605   1HD   LYS  28          1HD       LYS  28  -8.507   7.971  -1.435
  606   2HD   LYS  28          2HD       LYS  28  -7.742   7.044  -2.727
  607   1HE   LYS  28          1HE       LYS  28  -9.371   8.514  -3.699
  608   2HE   LYS  28          2HE       LYS  28  -9.958   6.857  -3.831
  609   1HZ   LYS  28          1HZ       LYS  28 -10.761   8.533  -1.545
  610   2HZ   LYS  28          2HZ       LYS  28 -11.553   8.692  -3.031
  611   3HZ   LYS  28          3HZ       LYS  28 -11.558   7.205  -2.226
  612    H    GLN  29           H        GLN  29  -9.612   2.899  -4.710
  613    HA   GLN  29           HA       GLN  29 -11.801   4.598  -5.441
  614   1HB   GLN  29          1HB       GLN  29  -9.830   3.873  -6.916
  615   2HB   GLN  29          2HB       GLN  29 -10.692   2.351  -7.112
  616   1HG   GLN  29          1HG       GLN  29 -12.052   3.219  -8.629
  617   2HG   GLN  29          2HG       GLN  29 -12.418   4.610  -7.611
  618   2HE2  GLN  29          2HE2      GLN  29 -11.801   4.247 -10.539
  619   1HE2  GLN  29          1HE2      GLN  29 -10.563   5.407 -10.861
  620    H    SER  30           H        SER  30 -11.384   1.225  -4.616
  621    HA   SER  30           HA       SER  30 -13.994   0.425  -5.505
  622   1HB   SER  30          1HB       SER  30 -11.796  -0.883  -3.933
  623   2HB   SER  30          2HB       SER  30 -13.398  -1.619  -3.983
  624    HG   SER  30           HG       SER  30 -12.608  -2.462  -5.758
  625    H    ILE  31           H        ILE  31 -12.540   1.367  -2.435
  626    HA   ILE  31           HA       ILE  31 -14.886   0.806  -0.886
  627    HB   ILE  31           HB       ILE  31 -12.754   0.721   0.209
  628   1HG1  ILE  31          1HG1      ILE  31 -13.092   2.534   2.013
  629   2HG1  ILE  31          2HG1      ILE  31 -14.525   2.991   1.100
  630   1HG2  ILE  31          1HG2      ILE  31 -12.138   2.937  -1.367
  631   2HG2  ILE  31          2HG2      ILE  31 -12.067   3.515   0.297
  632   3HG2  ILE  31          3HG2      ILE  31 -11.090   2.134  -0.198
  633   1HD1  ILE  31          1HD1      ILE  31 -14.820   0.287   1.356
  634   2HD1  ILE  31          2HD1      ILE  31 -14.074   0.746   2.884
  635   3HD1  ILE  31          3HD1      ILE  31 -15.579   1.508   2.374
  636    H    LYS  32           H        LYS  32 -13.630   3.541  -2.644
  637    HA   LYS  32           HA       LYS  32 -15.417   5.448  -1.435
  638   1HB   LYS  32          1HB       LYS  32 -13.133   5.956  -2.457
  639   2HB   LYS  32          2HB       LYS  32 -13.914   5.797  -4.024
  640   1HG   LYS  32          1HG       LYS  32 -14.067   8.048  -3.723
  641   2HG   LYS  32          2HG       LYS  32 -15.593   7.539  -2.996
  642   1HD   LYS  32          1HD       LYS  32 -13.310   7.557  -1.154
  643   2HD   LYS  32          2HD       LYS  32 -13.748   9.142  -1.791
  644   1HE   LYS  32          1HE       LYS  32 -15.777   7.261  -0.618
  645   2HE   LYS  32          2HE       LYS  32 -14.878   8.411   0.370
  646   1HZ   LYS  32          1HZ       LYS  32 -16.224   9.437  -2.012
  647   2HZ   LYS  32          2HZ       LYS  32 -17.196   9.006  -0.696
  648   3HZ   LYS  32          3HZ       LYS  32 -15.981  10.171  -0.508
  649    H    LYS  33           H        LYS  33 -15.364   3.439  -4.308
  650    HA   LYS  33           HA       LYS  33 -17.671   4.693  -5.487
  651   1HB   LYS  33          1HB       LYS  33 -16.051   3.694  -6.965
  652   2HB   LYS  33          2HB       LYS  33 -16.182   2.147  -6.140
  653   1HG   LYS  33          1HG       LYS  33 -18.523   1.976  -6.899
  654   2HG   LYS  33          2HG       LYS  33 -18.316   3.485  -7.790
  655   1HD   LYS  33          1HD       LYS  33 -16.789   2.523  -9.284
  656   2HD   LYS  33          2HD       LYS  33 -16.491   1.142  -8.227
  657   1HE   LYS  33          1HE       LYS  33 -19.158   0.905  -8.655
  658   2HE   LYS  33          2HE       LYS  33 -18.635   1.604 -10.187
  659   1HZ   LYS  33          1HZ       LYS  33 -17.404  -0.801  -8.959
  660   2HZ   LYS  33          2HZ       LYS  33 -18.620  -0.860 -10.133
  661   3HZ   LYS  33          3HZ       LYS  33 -17.115  -0.185 -10.508
  662    H    LEU  34           H        LEU  34 -17.025   2.009  -3.369
  663    HA   LEU  34           HA       LEU  34 -19.636   0.836  -3.636
  664   1HB   LEU  34          1HB       LEU  34 -17.170   0.285  -2.126
  665   2HB   LEU  34          2HB       LEU  34 -18.649  -0.161  -1.296
  666    HG   LEU  34           HG       LEU  34 -18.210  -1.056  -4.119
  667   1HD1  LEU  34          1HD1      LEU  34 -16.183  -1.590  -2.688
  668   2HD1  LEU  34          2HD1      LEU  34 -17.252  -2.630  -1.748
  669   3HD1  LEU  34          3HD1      LEU  34 -16.990  -2.954  -3.461
  670   1HD2  LEU  34          1HD2      LEU  34 -20.215  -1.392  -2.187
  671   2HD2  LEU  34          2HD2      LEU  34 -20.075  -2.200  -3.749
  672   3HD2  LEU  34          3HD2      LEU  34 -19.384  -2.944  -2.307
  673    H    LYS  35           H        LYS  35 -18.075   3.156  -1.537
  674    HA   LYS  35           HA       LYS  35 -20.150   3.180   0.436
  675   1HB   LYS  35          1HB       LYS  35 -17.617   3.990   0.525
  676   2HB   LYS  35          2HB       LYS  35 -18.346   5.523   0.065
  677   1HG   LYS  35          1HG       LYS  35 -19.908   5.205   2.036
  678   2HG   LYS  35          2HG       LYS  35 -18.832   3.903   2.544
  679   1HD   LYS  35          1HD       LYS  35 -17.633   6.543   1.875
  680   2HD   LYS  35          2HD       LYS  35 -18.508   6.385   3.401
  681   1HE   LYS  35          1HE       LYS  35 -16.152   4.749   2.472
  682   2HE   LYS  35          2HE       LYS  35 -16.176   5.931   3.781
  683   1HZ   LYS  35          1HZ       LYS  35 -18.002   4.384   4.731
  684   2HZ   LYS  35          2HZ       LYS  35 -17.323   3.223   3.706
  685   3HZ   LYS  35          3HZ       LYS  35 -16.376   3.952   4.904
  686    H    GLN  36           H        GLN  36 -19.379   5.057  -2.442
  687    HA   GLN  36           HA       GLN  36 -21.404   7.026  -2.021
  688   1HB   GLN  36          1HB       GLN  36 -19.499   7.566  -3.402
  689   2HB   GLN  36          2HB       GLN  36 -19.853   6.230  -4.488
  690   1HG   GLN  36          1HG       GLN  36 -20.582   8.158  -5.598
  691   2HG   GLN  36          2HG       GLN  36 -22.044   7.387  -4.984
  692   2HE2  GLN  36          2HE2      GLN  36 -23.182   8.353  -3.312
  693   1HE2  GLN  36          1HE2      GLN  36 -22.918   9.994  -2.840
  694    H    SER  37           H        SER  37 -21.237   3.935  -3.658
  695    HA   SER  37           HA       SER  37 -23.690   4.174  -5.070
  696   1HB   SER  37          1HB       SER  37 -22.006   1.798  -4.274
  697   2HB   SER  37          2HB       SER  37 -23.501   1.634  -5.194
  698    HG   SER  37           HG       SER  37 -22.413   2.160  -6.898
  699    H    GLU  38           H        GLU  38 -22.826   3.210  -1.837
  700    HA   GLU  38           HA       GLU  38 -25.226   1.870  -1.167
  701   1HB   GLU  38          1HB       GLU  38 -22.798   2.541   0.124
  702   2HB   GLU  38          2HB       GLU  38 -24.097   3.181   1.121
  703   1HG   GLU  38          1HG       GLU  38 -25.144   0.836   0.847
  704   2HG   GLU  38          2HG       GLU  38 -23.521   0.350   0.362
  705    H    ASP  39           H        ASP  39 -24.345   5.217  -1.375
  706    HA   ASP  39           HA       ASP  39 -26.387   6.291   0.263
  707   1HB   ASP  39          1HB       ASP  39 -24.465   7.636  -0.350
  708   2HB   ASP  39          2HB       ASP  39 -24.874   7.506  -2.057
  709    H    ASP  40           H        ASP  40 -26.355   5.048  -2.964
  710    HA   ASP  40           HA       ASP  40 -28.049   4.602  -4.422
  711   1HB   ASP  40          1HB       ASP  40 -29.331   4.670  -1.959
  712   2HB   ASP  40          2HB       ASP  40 -30.272   5.781  -2.950
  713    H    ASP  41           H        ASP  41 -29.294   5.675  -6.022
  714    HA   ASP  41           HA       ASP  41 -28.773   8.558  -6.111
  715   1HB   ASP  41          1HB       ASP  41 -28.439   6.535  -8.005
  716   2HB   ASP  41          2HB       ASP  41 -29.865   7.413  -8.549

  No H/Q in entry =         716
  Start of MODEL    5
    1    H1   ALA   1           H1       ALA   1 -29.604 -10.439   4.315
    2    H2   ALA   1           H2       ALA   1 -30.487  -9.969   5.711
    3    H3   ALA   1           H3       ALA   1 -31.218 -10.981   4.537
    4    HA   ALA   1           HA       ALA   1 -32.112  -8.947   4.124
    5   1HB   ALA   1          1HB       ALA   1 -29.994  -7.967   5.526
    6   2HB   ALA   1          2HB       ALA   1 -31.175  -6.985   4.662
    7   3HB   ALA   1          3HB       ALA   1 -29.640  -7.395   3.896
    8    H    LEU   2           H        LEU   2 -31.012  -7.135   2.276
    9    HA   LEU   2           HA       LEU   2 -30.292  -8.926   0.048
   10   1HB   LEU   2          1HB       LEU   2 -32.643  -7.594   0.264
   11   2HB   LEU   2          2HB       LEU   2 -31.681  -6.401  -0.587
   12    HG   LEU   2           HG       LEU   2 -32.818  -7.637  -2.249
   13   1HD1  LEU   2          1HD1      LEU   2 -30.445  -7.204  -2.717
   14   2HD1  LEU   2          2HD1      LEU   2 -30.039  -8.788  -2.055
   15   3HD1  LEU   2          3HD1      LEU   2 -31.027  -8.667  -3.511
   16   1HD2  LEU   2          1HD2      LEU   2 -33.131  -9.600  -0.521
   17   2HD2  LEU   2          2HD2      LEU   2 -33.208  -9.891  -2.259
   18   3HD2  LEU   2          3HD2      LEU   2 -31.733 -10.263  -1.367
   19    H    LYS   3           H        LYS   3 -30.013  -5.670   1.394
   20    HA   LYS   3           HA       LYS   3 -27.591  -5.284  -0.240
   21   1HB   LYS   3          1HB       LYS   3 -29.629  -3.285   0.728
   22   2HB   LYS   3          2HB       LYS   3 -28.043  -2.806   0.141
   23   1HG   LYS   3          1HG       LYS   3 -29.117  -2.626  -1.820
   24   2HG   LYS   3          2HG       LYS   3 -28.844  -4.367  -1.898
   25   1HD   LYS   3          1HD       LYS   3 -31.026  -4.854  -1.571
   26   2HD   LYS   3          2HD       LYS   3 -31.263  -3.516  -0.445
   27   1HE   LYS   3          1HE       LYS   3 -32.219  -2.326  -2.057
   28   2HE   LYS   3          2HE       LYS   3 -30.739  -2.421  -3.010
   29   1HZ   LYS   3          1HZ       LYS   3 -32.127  -4.864  -3.195
   30   2HZ   LYS   3          2HZ       LYS   3 -33.196  -3.604  -3.554
   31   3HZ   LYS   3          3HZ       LYS   3 -31.754  -3.765  -4.425
   32    H    LYS   4           H        LYS   4 -27.901  -6.551   2.421
   33    HA   LYS   4           HA       LYS   4 -26.644  -4.651   4.230
   34   1HB   LYS   4          1HB       LYS   4 -26.936  -6.294   5.936
   35   2HB   LYS   4          2HB       LYS   4 -28.416  -6.265   4.987
   36   1HG   LYS   4          1HG       LYS   4 -28.147  -8.502   5.094
   37   2HG   LYS   4          2HG       LYS   4 -27.130  -8.204   3.684
   38   1HD   LYS   4          1HD       LYS   4 -25.147  -8.257   5.009
   39   2HD   LYS   4          2HD       LYS   4 -26.080  -8.270   6.507
   40   1HE   LYS   4          1HE       LYS   4 -26.889 -10.472   6.070
   41   2HE   LYS   4          2HE       LYS   4 -26.222 -10.454   4.438
   42   1HZ   LYS   4          1HZ       LYS   4 -24.427 -10.117   6.744
   43   2HZ   LYS   4          2HZ       LYS   4 -24.964 -11.666   6.328
   44   3HZ   LYS   4          3HZ       LYS   4 -24.092 -10.743   5.208
   45    H    HIS   5           H        HIS   5 -25.843  -7.532   2.385
   46    HA   HIS   5           HA       HIS   5 -23.346  -8.101   3.504
   47   1HB   HIS   5          1HB       HIS   5 -22.855  -9.122   1.225
   48   2HB   HIS   5          2HB       HIS   5 -24.289  -9.721   2.052
   49    HD1  HIS   5           HD1      HIS   5 -26.081 -10.102   0.406
   50    HD2  HIS   5           HD2      HIS   5 -23.848  -6.720  -0.513
   51    HE1  HIS   5           HE1      HIS   5 -27.144  -9.135  -1.658
   52    HE2  HIS   5           HE2      HIS   5 -25.776  -7.088  -2.197
   53    H    HIS   6           H        HIS   6 -24.352  -5.583   1.355
   54    HA   HIS   6           HA       HIS   6 -21.889  -4.931   0.177
   55   1HB   HIS   6          1HB       HIS   6 -24.516  -3.861   0.221
   56   2HB   HIS   6          2HB       HIS   6 -23.419  -2.553   0.652
   57    HD1  HIS   6           HD1      HIS   6 -22.276  -5.195  -1.724
   58    HD2  HIS   6           HD2      HIS   6 -23.790  -1.327  -1.848
   59    HE1  HIS   6           HE1      HIS   6 -21.911  -4.405  -4.084
   60    HE2  HIS   6           HE2      HIS   6 -22.835  -2.061  -4.136
   61    H    GLU   7           H        GLU   7 -23.345  -3.976   3.247
   62    HA   GLU   7           HA       GLU   7 -21.460  -2.009   3.952
   63   1HB   GLU   7          1HB       GLU   7 -23.579  -3.534   5.306
   64   2HB   GLU   7          2HB       GLU   7 -22.264  -3.033   6.361
   65   1HG   GLU   7          1HG       GLU   7 -23.245  -0.930   4.578
   66   2HG   GLU   7          2HG       GLU   7 -24.434  -1.525   5.736
   67    H    ASN   8           H        ASN   8 -21.367  -5.469   4.026
   68    HA   ASN   8           HA       ASN   8 -19.217  -5.720   5.888
   69   1HB   ASN   8          1HB       ASN   8 -20.989  -7.483   4.834
   70   2HB   ASN   8          2HB       ASN   8 -19.569  -7.841   3.857
   71   2HD2  ASN   8          2HD2      ASN   8 -20.561  -9.755   5.475
   72   1HD2  ASN   8          1HD2      ASN   8 -19.504 -10.023   6.815
   73    H    GLU   9           H        GLU   9 -19.376  -6.109   2.345
   74    HA   GLU   9           HA       GLU   9 -16.595  -6.293   1.958
   75   1HB   GLU   9          1HB       GLU   9 -18.911  -6.339   0.344
   76   2HB   GLU   9          2HB       GLU   9 -17.883  -5.070  -0.306
   77   1HG   GLU   9          1HG       GLU   9 -16.126  -7.142   0.132
   78   2HG   GLU   9          2HG       GLU   9 -17.589  -7.954  -0.422
   79    H    ILE  10           H        ILE  10 -18.647  -3.615   2.604
   80    HA   ILE  10           HA       ILE  10 -16.954  -1.606   1.479
   81    HB   ILE  10           HB       ILE  10 -19.569  -1.729   2.658
   82   1HG1  ILE  10          1HG1      ILE  10 -18.641   0.798   1.468
   83   2HG1  ILE  10          2HG1      ILE  10 -18.391  -0.641   0.483
   84   1HG2  ILE  10          1HG2      ILE  10 -17.778   0.313   3.914
   85   2HG2  ILE  10          2HG2      ILE  10 -19.487   0.644   3.653
   86   3HG2  ILE  10          3HG2      ILE  10 -19.000  -0.716   4.660
   87   1HD1  ILE  10          1HD1      ILE  10 -20.830  -1.164   0.863
   88   2HD1  ILE  10          2HD1      ILE  10 -20.976   0.462   1.531
   89   3HD1  ILE  10          3HD1      ILE  10 -20.478   0.239  -0.146
   90    H    SER  11           H        SER  11 -17.548  -2.841   4.755
   91    HA   SER  11           HA       SER  11 -15.704  -1.105   6.031
   92   1HB   SER  11          1HB       SER  11 -17.636  -2.677   6.982
   93   2HB   SER  11          2HB       SER  11 -16.284  -3.787   7.201
   94    HG   SER  11           HG       SER  11 -15.288  -1.732   8.185
   95    H    HIS  12           H        HIS  12 -15.378  -4.078   4.288
   96    HA   HIS  12           HA       HIS  12 -12.810  -4.754   5.360
   97   1HB   HIS  12          1HB       HIS  12 -13.472  -6.721   4.513
   98   2HB   HIS  12          2HB       HIS  12 -14.762  -5.953   3.605
   99    HD1  HIS  12           HD1      HIS  12 -11.060  -6.739   3.228
  100    HD2  HIS  12           HD2      HIS  12 -14.451  -6.091   0.917
  101    HE1  HIS  12           HE1      HIS  12 -10.362  -7.226   0.860
  102    HE2  HIS  12           HE2      HIS  12 -12.432  -6.830  -0.522
  103    H    HIS  13           H        HIS  13 -13.957  -3.223   2.351
  104    HA   HIS  13           HA       HIS  13 -11.409  -2.893   1.192
  105   1HB   HIS  13          1HB       HIS  13 -13.806  -1.089   0.824
  106   2HB   HIS  13          2HB       HIS  13 -12.439  -1.256  -0.267
  107    HD1  HIS  13           HD1      HIS  13 -12.499  -4.481  -0.075
  108    HD2  HIS  13           HD2      HIS  13 -15.624  -1.934  -1.064
  109    HE1  HIS  13           HE1      HIS  13 -14.098  -5.878  -1.424
  110    HE2  HIS  13           HE2      HIS  13 -15.988  -4.317  -2.012
  111    H    ALA  14           H        ALA  14 -13.181  -1.085   3.593
  112    HA   ALA  14           HA       ALA  14 -11.660   1.295   3.517
  113   1HB   ALA  14          1HB       ALA  14 -13.798   0.229   5.076
  114   2HB   ALA  14          2HB       ALA  14 -13.272   1.905   4.920
  115   3HB   ALA  14          3HB       ALA  14 -12.566   0.871   6.161
  116    H    LYS  15           H        LYS  15 -11.501  -1.502   5.724
  117    HA   LYS  15           HA       LYS  15  -9.132  -0.638   7.018
  118   1HB   LYS  15          1HB       LYS  15 -10.533  -3.297   6.831
  119   2HB   LYS  15          2HB       LYS  15  -9.020  -3.111   7.707
  120   1HG   LYS  15          1HG       LYS  15 -10.169  -1.282   9.028
  121   2HG   LYS  15          2HG       LYS  15 -11.676  -1.842   8.298
  122   1HD   LYS  15          1HD       LYS  15  -9.783  -3.485   9.981
  123   2HD   LYS  15          2HD       LYS  15 -11.358  -2.862  10.483
  124   1HE   LYS  15          1HE       LYS  15 -11.799  -4.261   8.091
  125   2HE   LYS  15          2HE       LYS  15 -10.718  -5.271   9.050
  126   1HZ   LYS  15          1HZ       LYS  15 -12.856  -4.159  10.599
  127   2HZ   LYS  15          2HZ       LYS  15 -13.420  -5.117   9.325
  128   3HZ   LYS  15          3HZ       LYS  15 -12.348  -5.767  10.460
  129    H    GLU  16           H        GLU  16  -9.695  -2.036   3.954
  130    HA   GLU  16           HA       GLU  16  -7.125  -3.311   3.716
  131   1HB   GLU  16          1HB       GLU  16  -9.553  -3.045   2.068
  132   2HB   GLU  16          2HB       GLU  16  -8.049  -3.121   1.160
  133   1HG   GLU  16          1HG       GLU  16  -8.893  -5.136   3.229
  134   2HG   GLU  16          2HG       GLU  16  -9.136  -5.317   1.493
  135    H    ILE  17           H        ILE  17  -8.569  -0.226   2.829
  136    HA   ILE  17           HA       ILE  17  -6.322   0.565   1.197
  137    HB   ILE  17           HB       ILE  17  -8.466   1.497   0.640
  138   1HG1  ILE  17          1HG1      ILE  17  -6.587   3.535   1.848
  139   2HG1  ILE  17          2HG1      ILE  17  -6.643   2.990   0.175
  140   1HG2  ILE  17          1HG2      ILE  17  -8.515   2.456   3.489
  141   2HG2  ILE  17          2HG2      ILE  17  -9.591   3.087   2.241
  142   3HG2  ILE  17          3HG2      ILE  17  -9.654   1.380   2.677
  143   1HD1  ILE  17          1HD1      ILE  17  -9.059   3.954   0.239
  144   2HD1  ILE  17          2HD1      ILE  17  -8.450   4.863   1.621
  145   3HD1  ILE  17          3HD1      ILE  17  -7.676   5.031   0.045
  146    H    GLU  18           H        GLU  18  -7.365   0.982   4.516
  147    HA   GLU  18           HA       GLU  18  -5.335   2.926   5.136
  148   1HB   GLU  18          1HB       GLU  18  -7.108   1.282   6.954
  149   2HB   GLU  18          2HB       GLU  18  -6.081   2.611   7.473
  150   1HG   GLU  18          1HG       GLU  18  -7.911   3.306   5.305
  151   2HG   GLU  18          2HG       GLU  18  -8.712   2.812   6.796
  152    H    ARG  19           H        ARG  19  -5.760  -0.551   5.453
  153    HA   ARG  19           HA       ARG  19  -3.388  -0.942   7.010
  154   1HB   ARG  19          1HB       ARG  19  -5.215  -2.811   5.508
  155   2HB   ARG  19          2HB       ARG  19  -3.761  -3.379   6.317
  156   1HG   ARG  19          1HG       ARG  19  -5.913  -1.840   7.739
  157   2HG   ARG  19          2HG       ARG  19  -5.920  -3.599   7.600
  158   1HD   ARG  19          1HD       ARG  19  -3.346  -2.636   8.479
  159   2HD   ARG  19          2HD       ARG  19  -4.630  -2.058   9.538
  160    HE   ARG  19           HE       ARG  19  -3.607  -4.678   9.438
  161   1HH1  ARG  19          1HH1      ARG  19  -6.629  -2.965   9.687
  162   2HH1  ARG  19          2HH1      ARG  19  -7.424  -4.230  10.565
  163   1HH2  ARG  19          1HH2      ARG  19  -4.643  -6.351  10.593
  164   2HH2  ARG  19          2HH2      ARG  19  -6.294  -6.154  11.080
  165    H    LEU  20           H        LEU  20  -4.193  -0.953   3.596
  166    HA   LEU  20           HA       LEU  20  -1.721  -2.099   2.738
  167   1HB   LEU  20          1HB       LEU  20  -4.042  -0.782   1.430
  168   2HB   LEU  20          2HB       LEU  20  -2.532  -0.803   0.546
  169    HG   LEU  20           HG       LEU  20  -4.203  -2.688   0.092
  170   1HD1  LEU  20          1HD1      LEU  20  -1.622  -2.537  -0.348
  171   2HD1  LEU  20          2HD1      LEU  20  -1.557  -3.802   0.878
  172   3HD1  LEU  20          3HD1      LEU  20  -2.496  -4.048  -0.595
  173   1HD2  LEU  20          1HD2      LEU  20  -4.193  -2.993   2.791
  174   2HD2  LEU  20          2HD2      LEU  20  -4.669  -4.243   1.642
  175   3HD2  LEU  20          3HD2      LEU  20  -3.034  -4.227   2.299
  176    H    GLN  21           H        GLN  21  -2.924   1.150   3.299
  177    HA   GLN  21           HA       GLN  21  -0.796   2.558   2.095
  178   1HB   GLN  21          1HB       GLN  21  -3.107   3.174   3.721
  179   2HB   GLN  21          2HB       GLN  21  -1.714   4.110   4.246
  180   1HG   GLN  21          1HG       GLN  21  -1.406   4.751   1.816
  181   2HG   GLN  21          2HG       GLN  21  -3.005   4.061   1.538
  182   2HE2  GLN  21          2HE2      GLN  21  -4.810   5.024   2.566
  183   1HE2  GLN  21          1HE2      GLN  21  -4.763   6.674   3.078
  184    H    LYS  22           H        LYS  22  -1.339   1.461   5.430
  185    HA   LYS  22           HA       LYS  22   1.008   2.573   6.522
  186   1HB   LYS  22          1HB       LYS  22  -1.060   0.689   7.359
  187   2HB   LYS  22          2HB       LYS  22   0.522   0.294   8.018
  188   1HG   LYS  22          1HG       LYS  22   0.208   1.821   9.585
  189   2HG   LYS  22          2HG       LYS  22   0.202   3.068   8.336
  190   1HD   LYS  22          1HD       LYS  22  -1.827   3.372   9.460
  191   2HD   LYS  22          2HD       LYS  22  -2.268   2.461   8.013
  192   1HE   LYS  22          1HE       LYS  22  -3.381   1.212   9.546
  193   2HE   LYS  22          2HE       LYS  22  -1.812   0.414   9.650
  194   1HZ   LYS  22          1HZ       LYS  22  -1.759   2.575  11.400
  195   2HZ   LYS  22          2HZ       LYS  22  -3.224   1.774  11.666
  196   3HZ   LYS  22          3HZ       LYS  22  -1.765   0.928  11.787
  197    H    GLU  23           H        GLU  23   0.351  -0.485   4.918
  198    HA   GLU  23           HA       GLU  23   2.788  -1.764   5.511
  199   1HB   GLU  23          1HB       GLU  23   0.613  -2.735   4.505
  200   2HB   GLU  23          2HB       GLU  23   1.265  -2.212   2.958
  201   1HG   GLU  23          1HG       GLU  23   1.897  -4.442   3.127
  202   2HG   GLU  23          2HG       GLU  23   3.347  -3.547   3.580
  203    H    ILE  24           H        ILE  24   1.811   0.349   2.841
  204    HA   ILE  24           HA       ILE  24   4.164   0.041   1.321
  205    HB   ILE  24           HB       ILE  24   3.385   1.656  -0.095
  206   1HG1  ILE  24          1HG1      ILE  24   1.795   3.553   0.833
  207   2HG1  ILE  24          2HG1      ILE  24   2.586   3.168   2.360
  208   1HG2  ILE  24          1HG2      ILE  24   1.475   0.025   0.858
  209   2HG2  ILE  24          2HG2      ILE  24   0.724   1.593   1.149
  210   3HG2  ILE  24          3HG2      ILE  24   1.236   1.150  -0.478
  211   1HD1  ILE  24          1HD1      ILE  24   4.593   3.401   0.375
  212   2HD1  ILE  24          2HD1      ILE  24   3.520   4.796   0.242
  213   3HD1  ILE  24          3HD1      ILE  24   4.301   4.430   1.780
  214    H    GLU  25           H        GLU  25   3.301   2.207   3.951
  215    HA   GLU  25           HA       GLU  25   5.497   3.934   3.846
  216   1HB   GLU  25          1HB       GLU  25   3.373   4.083   5.290
  217   2HB   GLU  25          2HB       GLU  25   4.220   3.036   6.420
  218   1HG   GLU  25          1HG       GLU  25   4.962   4.927   7.326
  219   2HG   GLU  25          2HG       GLU  25   6.075   4.977   5.959
  220    H    ARG  26           H        ARG  26   5.068   0.842   5.534
  221    HA   ARG  26           HA       ARG  26   7.486   0.763   6.906
  222   1HB   ARG  26          1HB       ARG  26   5.380  -0.922   6.692
  223   2HB   ARG  26          2HB       ARG  26   6.562  -1.787   5.718
  224   1HG   ARG  26          1HG       ARG  26   8.099  -1.867   7.568
  225   2HG   ARG  26          2HG       ARG  26   7.024  -0.866   8.547
  226   1HD   ARG  26          1HD       ARG  26   5.286  -2.664   8.287
  227   2HD   ARG  26          2HD       ARG  26   6.538  -3.668   7.557
  228    HE   ARG  26           HE       ARG  26   7.597  -2.851   9.945
  229   1HH1  ARG  26          1HH1      ARG  26   4.718  -4.541   8.953
  230   2HH1  ARG  26          2HH1      ARG  26   4.602  -5.467  10.413
  231   1HH2  ARG  26          1HH2      ARG  26   7.454  -4.065  11.871
  232   2HH2  ARG  26          2HH2      ARG  26   6.157  -5.195  12.072
  233    H    HIS  27           H        HIS  27   6.712  -0.436   3.650
  234    HA   HIS  27           HA       HIS  27   9.311  -1.333   3.028
  235   1HB   HIS  27          1HB       HIS  27   6.810  -0.819   1.552
  236   2HB   HIS  27          2HB       HIS  27   8.279  -0.692   0.589
  237    HD1  HIS  27           HD1      HIS  27   9.921  -2.914   0.900
  238    HD2  HIS  27           HD2      HIS  27   5.870  -3.345   1.716
  239    HE1  HIS  27           HE1      HIS  27   9.474  -5.386   0.793
  240    HE2  HIS  27           HE2      HIS  27   7.015  -5.625   1.291
  241    H    LYS  28           H        LYS  28   7.849   1.802   3.051
  242    HA   LYS  28           HA       LYS  28   9.774   3.076   1.358
  243   1HB   LYS  28          1HB       LYS  28   7.537   4.013   1.613
  244   2HB   LYS  28          2HB       LYS  28   7.799   4.226   3.338
  245   1HG   LYS  28          1HG       LYS  28   9.700   5.766   2.742
  246   2HG   LYS  28          2HG       LYS  28   9.126   5.691   1.076
  247   1HD   LYS  28          1HD       LYS  28   7.450   6.557   3.430
  248   2HD   LYS  28          2HD       LYS  28   8.280   7.661   2.331
  249   1HE   LYS  28          1HE       LYS  28   6.375   5.591   1.298
  250   2HE   LYS  28          2HE       LYS  28   5.789   7.136   1.914
  251   1HZ   LYS  28          1HZ       LYS  28   7.920   7.057  -0.120
  252   2HZ   LYS  28          2HZ       LYS  28   6.299   6.899  -0.580
  253   3HZ   LYS  28          3HZ       LYS  28   6.819   8.295   0.223
  254    H    GLN  29           H        GLN  29   9.555   2.283   4.721
  255    HA   GLN  29           HA       GLN  29  11.571   4.132   5.591
  256   1HB   GLN  29          1HB       GLN  29   9.746   3.206   7.058
  257   2HB   GLN  29          2HB       GLN  29  10.582   1.661   7.019
  258   1HG   GLN  29          1HG       GLN  29  12.483   2.583   8.133
  259   2HG   GLN  29          2HG       GLN  29  11.823   4.213   8.011
  260   2HE2  GLN  29          2HE2      GLN  29  11.626   4.715  10.117
  261   1HE2  GLN  29          1HE2      GLN  29  10.627   3.861  11.238
  262    H    SER  30           H        SER  30  11.455   0.780   4.562
  263    HA   SER  30           HA       SER  30  14.152   0.189   5.329
  264   1HB   SER  30          1HB       SER  30  12.013  -1.218   3.787
  265   2HB   SER  30          2HB       SER  30  13.678  -1.774   3.616
  266    HG   SER  30           HG       SER  30  11.951  -2.128   5.669
  267    H    ILE  31           H        ILE  31  12.533   1.137   2.337
  268    HA   ILE  31           HA       ILE  31  14.910   0.948   0.741
  269    HB   ILE  31           HB       ILE  31  12.769   0.635  -0.318
  270   1HG1  ILE  31          1HG1      ILE  31  12.888   2.555  -2.061
  271   2HG1  ILE  31          2HG1      ILE  31  14.308   3.079  -1.163
  272   1HG2  ILE  31          1HG2      ILE  31  11.912   2.681   1.334
  273   2HG2  ILE  31          2HG2      ILE  31  11.820   3.370  -0.286
  274   3HG2  ILE  31          3HG2      ILE  31  10.966   1.873   0.085
  275   1HD1  ILE  31          1HD1      ILE  31  14.819   0.430  -1.534
  276   2HD1  ILE  31          2HD1      ILE  31  13.965   0.859  -3.015
  277   3HD1  ILE  31          3HD1      ILE  31  15.420   1.738  -2.550
  278    H    LYS  32           H        LYS  32  13.370   3.389   2.672
  279    HA   LYS  32           HA       LYS  32  14.877   5.570   1.524
  280   1HB   LYS  32          1HB       LYS  32  12.642   6.004   2.380
  281   2HB   LYS  32          2HB       LYS  32  13.111   5.429   3.973
  282   1HG   LYS  32          1HG       LYS  32  13.135   7.761   4.134
  283   2HG   LYS  32          2HG       LYS  32  14.831   7.300   3.973
  284   1HD   LYS  32          1HD       LYS  32  14.529   9.140   2.526
  285   2HD   LYS  32          2HD       LYS  32  14.558   7.716   1.485
  286   1HE   LYS  32          1HE       LYS  32  12.563   8.257   0.678
  287   2HE   LYS  32          2HE       LYS  32  11.875   8.154   2.298
  288   1HZ   LYS  32          1HZ       LYS  32  12.749  10.498   2.600
  289   2HZ   LYS  32          2HZ       LYS  32  12.964  10.534   0.922
  290   3HZ   LYS  32          3HZ       LYS  32  11.418  10.311   1.571
  291    H    LYS  33           H        LYS  33  15.157   3.357   4.190
  292    HA   LYS  33           HA       LYS  33  17.227   4.870   5.519
  293   1HB   LYS  33          1HB       LYS  33  15.644   3.424   6.771
  294   2HB   LYS  33          2HB       LYS  33  16.333   2.016   5.976
  295   1HG   LYS  33          1HG       LYS  33  18.558   2.735   6.970
  296   2HG   LYS  33          2HG       LYS  33  17.623   3.845   7.974
  297   1HD   LYS  33          1HD       LYS  33  16.312   1.934   8.817
  298   2HD   LYS  33          2HD       LYS  33  17.313   0.846   7.855
  299   1HE   LYS  33          1HE       LYS  33  18.830   0.779   9.474
  300   2HE   LYS  33          2HE       LYS  33  19.020   2.530   9.391
  301   1HZ   LYS  33          1HZ       LYS  33  16.779   2.388  10.775
  302   2HZ   LYS  33          2HZ       LYS  33  17.462   0.916  11.251
  303   3HZ   LYS  33          3HZ       LYS  33  18.302   2.362  11.511
  304    H    LEU  34           H        LEU  34  16.991   2.199   3.271
  305    HA   LEU  34           HA       LEU  34  19.785   1.521   3.444
  306   1HB   LEU  34          1HB       LEU  34  17.409   0.449   2.180
  307   2HB   LEU  34          2HB       LEU  34  18.763   0.468   1.066
  308    HG   LEU  34           HG       LEU  34  19.595  -0.574   3.623
  309   1HD1  LEU  34          1HD1      LEU  34  16.957  -1.364   2.741
  310   2HD1  LEU  34          2HD1      LEU  34  18.066  -2.734   2.799
  311   3HD1  LEU  34          3HD1      LEU  34  17.809  -1.745   4.237
  312   1HD2  LEU  34          1HD2      LEU  34  19.458  -1.649   0.813
  313   2HD2  LEU  34          2HD2      LEU  34  20.859  -0.972   1.646
  314   3HD2  LEU  34          3HD2      LEU  34  20.191  -2.522   2.159
  315    H    LYS  35           H        LYS  35  17.752   3.554   1.466
  316    HA   LYS  35           HA       LYS  35  19.768   4.000  -0.544
  317   1HB   LYS  35          1HB       LYS  35  17.230   4.108  -0.876
  318   2HB   LYS  35          2HB       LYS  35  17.310   5.681  -0.096
  319   1HG   LYS  35          1HG       LYS  35  19.189   5.255  -2.324
  320   2HG   LYS  35          2HG       LYS  35  17.476   5.319  -2.748
  321   1HD   LYS  35          1HD       LYS  35  18.537   7.396  -0.905
  322   2HD   LYS  35          2HD       LYS  35  18.972   7.505  -2.612
  323   1HE   LYS  35          1HE       LYS  35  16.280   6.987  -2.708
  324   2HE   LYS  35          2HE       LYS  35  16.422   8.019  -1.286
  325   1HZ   LYS  35          1HZ       LYS  35  17.996   9.080  -3.362
  326   2HZ   LYS  35          2HZ       LYS  35  16.440   8.787  -3.959
  327   3HZ   LYS  35          3HZ       LYS  35  16.652   9.769  -2.598
  328    H    GLN  36           H        GLN  36  18.682   5.536   2.398
  329    HA   GLN  36           HA       GLN  36  20.158   7.968   1.935
  330   1HB   GLN  36          1HB       GLN  36  18.133   8.080   3.254
  331   2HB   GLN  36          2HB       GLN  36  18.760   6.891   4.388
  332   1HG   GLN  36          1HG       GLN  36  20.634   8.995   4.270
  333   2HG   GLN  36          2HG       GLN  36  19.034   9.722   4.420
  334   2HE2  GLN  36          2HE2      GLN  36  21.246   9.591   6.334
  335   1HE2  GLN  36          1HE2      GLN  36  20.603   8.834   7.748
  336    H    SER  37           H        SER  37  20.693   4.903   3.489
  337    HA   SER  37           HA       SER  37  23.024   5.766   4.942
  338   1HB   SER  37          1HB       SER  37  21.392   3.794   5.485
  339   2HB   SER  37          2HB       SER  37  22.407   2.886   4.366
  340    HG   SER  37           HG       SER  37  23.641   2.625   6.044
  341    H    GLU  38           H        GLU  38  22.323   4.410   1.822
  342    HA   GLU  38           HA       GLU  38  25.017   3.575   1.271
  343   1HB   GLU  38          1HB       GLU  38  22.483   3.193   0.092
  344   2HB   GLU  38          2HB       GLU  38  23.465   4.014  -1.112
  345   1HG   GLU  38          1HG       GLU  38  25.161   2.081  -0.155
  346   2HG   GLU  38          2HG       GLU  38  23.592   1.278  -0.142
  347    H    ASP  39           H        ASP  39  23.172   6.489   0.935
  348    HA   ASP  39           HA       ASP  39  24.937   7.719  -0.972
  349   1HB   ASP  39          1HB       ASP  39  22.569   8.611   0.625
  350   2HB   ASP  39          2HB       ASP  39  23.617   9.826  -0.102
  351    H    ASP  40           H        ASP  40  24.765   7.433   2.471
  352    HA   ASP  40           HA       ASP  40  26.137   8.123   4.148
  353   1HB   ASP  40          1HB       ASP  40  27.881   8.228   1.745
  354   2HB   ASP  40          2HB       ASP  40  28.456   9.069   3.182
  355    H    ASP  41           H        ASP  41  24.341   9.858   4.077
  356    HA   ASP  41           HA       ASP  41  23.686  12.032   4.287
  357   1HB   ASP  41          1HB       ASP  41  26.552  12.691   4.922
  358   2HB   ASP  41          2HB       ASP  41  25.085  13.383   5.609
  359    H1   ALA   1           H1       ALA   1  29.603 -10.442  -4.344
  360    H2   ALA   1           H2       ALA   1  30.481  -9.975  -5.743
  361    H3   ALA   1           H3       ALA   1  31.215 -10.985  -4.567
  362    HA   ALA   1           HA       ALA   1  32.112  -8.951  -4.159
  363   1HB   ALA   1          1HB       ALA   1  29.644  -7.394  -3.930
  364   2HB   ALA   1          2HB       ALA   1  31.177  -6.990  -4.705
  365   3HB   ALA   1          3HB       ALA   1  29.988  -7.973  -5.560
  366    H    LEU   2           H        LEU   2  31.019  -7.134  -2.315
  367    HA   LEU   2           HA       LEU   2  30.301  -8.918  -0.082
  368   1HB   LEU   2          1HB       LEU   2  32.649  -7.585  -0.307
  369   2HB   LEU   2          2HB       LEU   2  31.688  -6.391   0.545
  370    HG   LEU   2           HG       LEU   2  32.833  -7.625   2.205
  371   1HD1  LEU   2          1HD1      LEU   2  30.460  -7.188   2.678
  372   2HD1  LEU   2          2HD1      LEU   2  30.052  -8.774   2.025
  373   3HD1  LEU   2          3HD1      LEU   2  31.045  -8.647   3.477
  374   1HD2  LEU   2          1HD2      LEU   2  33.136  -9.592   0.480
  375   2HD2  LEU   2          2HD2      LEU   2  33.220  -9.879   2.219
  376   3HD2  LEU   2          3HD2      LEU   2  31.741 -10.251   1.333
  377    H    LYS   3           H        LYS   3  30.019  -5.665  -1.436
  378    HA   LYS   3           HA       LYS   3  27.600  -5.275   0.202
  379   1HB   LYS   3          1HB       LYS   3  29.637  -3.279  -0.777
  380   2HB   LYS   3          2HB       LYS   3  28.051  -2.797  -0.189
  381   1HG   LYS   3          1HG       LYS   3  29.130  -2.611   1.770
  382   2HG   LYS   3          2HG       LYS   3  28.856  -4.353   1.854
  383   1HD   LYS   3          1HD       LYS   3  31.038  -4.842   1.525
  384   2HD   LYS   3          2HD       LYS   3  31.274  -3.507   0.395
  385   1HE   LYS   3          1HE       LYS   3  32.232  -2.313   2.001
  386   2HE   LYS   3          2HE       LYS   3  30.753  -2.404   2.957
  387   1HZ   LYS   3          1HZ       LYS   3  32.140  -4.846   3.148
  388   2HZ   LYS   3          2HZ       LYS   3  33.210  -3.586   3.502
  389   3HZ   LYS   3          3HZ       LYS   3  31.769  -3.744   4.375
  390    H    LYS   4           H        LYS   4  27.902  -6.551  -2.455
  391    HA   LYS   4           HA       LYS   4  26.641  -4.656  -4.268
  392   1HB   LYS   4          1HB       LYS   4  26.932  -6.303  -5.969
  393   2HB   LYS   4          2HB       LYS   4  28.413  -6.273  -5.022
  394   1HG   LYS   4          1HG       LYS   4  28.145  -8.510  -5.121
  395   2HG   LYS   4          2HG       LYS   4  27.126  -8.207  -3.712
  396   1HD   LYS   4          1HD       LYS   4  25.144  -8.266  -5.040
  397   2HD   LYS   4          2HD       LYS   4  26.079  -8.281  -6.537
  398   1HE   LYS   4          1HE       LYS   4  26.888 -10.482  -6.095
  399   2HE   LYS   4          2HE       LYS   4  26.225 -10.459  -4.462
  400   1HZ   LYS   4          1HZ       LYS   4  24.423 -10.131  -6.764
  401   2HZ   LYS   4          2HZ       LYS   4  24.964 -11.678  -6.346
  402   3HZ   LYS   4          3HZ       LYS   4  24.094 -10.754  -5.227
  403    H    HIS   5           H        HIS   5  25.844  -7.531  -2.411
  404    HA   HIS   5           HA       HIS   5  23.345  -8.102  -3.524
  405   1HB   HIS   5          1HB       HIS   5  22.859  -9.117  -1.240
  406   2HB   HIS   5          2HB       HIS   5  24.290  -9.719  -2.070
  407    HD1  HIS   5           HD1      HIS   5  26.089 -10.094  -0.431
  408    HD2  HIS   5           HD2      HIS   5  23.853  -6.715   0.493
  409    HE1  HIS   5           HE1      HIS   5  27.157  -9.123   1.629
  410    HE2  HIS   5           HE2      HIS   5  25.789  -7.078   2.170
  411    H    HIS   6           H        HIS   6  24.358  -5.584  -1.377
  412    HA   HIS   6           HA       HIS   6  21.899  -4.925  -0.197
  413   1HB   HIS   6          1HB       HIS   6  24.526  -3.862  -0.244
  414   2HB   HIS   6          2HB       HIS   6  23.434  -2.552  -0.682
  415    HD1  HIS   6           HD1      HIS   6  22.282  -5.179   1.706
  416    HD2  HIS   6           HD2      HIS   6  23.802  -1.313   1.810
  417    HE1  HIS   6           HE1      HIS   6  21.917  -4.376   4.062
  418    HE2  HIS   6           HE2      HIS   6  22.843  -2.034   4.102
  419    H    GLU   7           H        GLU   7  23.346  -3.986  -3.274
  420    HA   GLU   7           HA       GLU   7  21.464  -2.014  -3.976
  421   1HB   GLU   7          1HB       GLU   7  23.577  -3.542  -5.333
  422   2HB   GLU   7          2HB       GLU   7  22.259  -3.046  -6.386
  423   1HG   GLU   7          1HG       GLU   7  23.244  -0.937  -4.614
  424   2HG   GLU   7          2HG       GLU   7  24.431  -1.534  -5.772
  425    H    ASN   8           H        ASN   8  21.366  -5.475  -4.047
  426    HA   ASN   8           HA       ASN   8  19.213  -5.727  -5.902
  427   1HB   ASN   8          1HB       ASN   8  20.986  -7.488  -4.844
  428   2HB   ASN   8          2HB       ASN   8  19.566  -7.843  -3.865
  429   2HD2  ASN   8          2HD2      ASN   8  20.561  -9.760  -5.481
  430   1HD2  ASN   8          1HD2      ASN   8  19.502 -10.033  -6.819
  431    H    GLU   9           H        GLU   9  19.377  -6.100  -2.356
  432    HA   GLU   9           HA       GLU   9  16.596  -6.287  -1.966
  433   1HB   GLU   9          1HB       GLU   9  18.915  -6.319  -0.354
  434   2HB   GLU   9          2HB       GLU   9  17.882  -5.052   0.291
  435   1HG   GLU   9          1HG       GLU   9  16.131  -7.128  -0.136
  436   2HG   GLU   9          2HG       GLU   9  17.597  -7.938   0.414
  437    H    ILE  10           H        ILE  10  18.651  -3.605  -2.609
  438    HA   ILE  10           HA       ILE  10  16.956  -1.593  -1.499
  439    HB   ILE  10           HB       ILE  10  19.570  -1.724  -2.674
  440   1HG1  ILE  10          1HG1      ILE  10  18.659   0.821  -1.518
  441   2HG1  ILE  10          2HG1      ILE  10  18.373  -0.598  -0.517
  442   1HG2  ILE  10          1HG2      ILE  10  18.370  -0.687  -4.667
  443   2HG2  ILE  10          2HG2      ILE  10  18.137   0.729  -3.642
  444   3HG2  ILE  10          3HG2      ILE  10  19.765   0.175  -4.026
  445   1HD1  ILE  10          1HD1      ILE  10  20.822  -1.161  -0.909
  446   2HD1  ILE  10          2HD1      ILE  10  20.978   0.487  -1.517
  447   3HD1  ILE  10          3HD1      ILE  10  20.460   0.206   0.145
  448    H    SER  11           H        SER  11  17.545  -2.847  -4.767
  449    HA   SER  11           HA       SER  11  15.706  -1.117  -6.057
  450   1HB   SER  11          1HB       SER  11  17.605  -2.486  -7.117
  451   2HB   SER  11          2HB       SER  11  16.487  -3.848  -7.071
  452    HG   SER  11           HG       SER  11  15.626  -1.424  -8.184
  453    H    HIS  12           H        HIS  12  15.376  -4.091  -4.311
  454    HA   HIS  12           HA       HIS  12  12.805  -4.762  -5.373
  455   1HB   HIS  12          1HB       HIS  12  13.466  -6.728  -4.518
  456   2HB   HIS  12          2HB       HIS  12  14.758  -5.959  -3.616
  457    HD1  HIS  12           HD1      HIS  12  11.060  -6.749  -3.229
  458    HD2  HIS  12           HD2      HIS  12  14.450  -6.071  -0.925
  459    HE1  HIS  12           HE1      HIS  12  10.365  -7.221  -0.857
  460    HE2  HIS  12           HE2      HIS  12  12.434  -6.807   0.521
  461    H    HIS  13           H        HIS  13  13.961  -3.219  -2.378
  462    HA   HIS  13           HA       HIS  13  11.418  -2.881  -1.207
  463   1HB   HIS  13          1HB       HIS  13  13.823  -1.082  -0.871
  464   2HB   HIS  13          2HB       HIS  13  12.461  -1.228   0.229
  465    HD1  HIS  13           HD1      HIS  13  12.500  -4.457   0.063
  466    HD2  HIS  13           HD2      HIS  13  15.642  -1.921   1.029
  467    HE1  HIS  13           HE1      HIS  13  14.093  -5.853   1.421
  468    HE2  HIS  13           HE2      HIS  13  15.993  -4.299   1.996
  469    H    ALA  14           H        ALA  14  13.168  -1.106  -3.642
  470    HA   ALA  14           HA       ALA  14  11.658   1.284  -3.574
  471   1HB   ALA  14          1HB       ALA  14  13.780   0.197  -5.140
  472   2HB   ALA  14          2HB       ALA  14  12.540   0.831  -6.222
  473   3HB   ALA  14          3HB       ALA  14  13.259   1.875  -4.997
  474    H    LYS  15           H        LYS  15  11.485  -1.516  -5.773
  475    HA   LYS  15           HA       LYS  15   9.102  -0.664  -7.044
  476   1HB   LYS  15          1HB       LYS  15  10.491  -3.331  -6.856
  477   2HB   LYS  15          2HB       LYS  15   8.986  -3.126  -7.741
  478   1HG   LYS  15          1HG       LYS  15  10.158  -1.312  -9.056
  479   2HG   LYS  15          2HG       LYS  15  11.655  -1.876  -8.312
  480   1HD   LYS  15          1HD       LYS  15   9.772  -3.523  -9.999
  481   2HD   LYS  15          2HD       LYS  15  11.343  -2.895 -10.501
  482   1HE   LYS  15          1HE       LYS  15  11.792  -4.285  -8.107
  483   2HE   LYS  15          2HE       LYS  15  10.714  -5.302  -9.061
  484   1HZ   LYS  15          1HZ       LYS  15  12.846  -4.185 -10.614
  485   2HZ   LYS  15          2HZ       LYS  15  13.414  -5.141  -9.339
  486   3HZ   LYS  15          3HZ       LYS  15  12.343  -5.796 -10.472
  487    H    GLU  16           H        GLU  16   9.693  -2.039  -3.979
  488    HA   GLU  16           HA       GLU  16   7.128  -3.321  -3.713
  489   1HB   GLU  16          1HB       GLU  16   9.568  -3.044  -2.088
  490   2HB   GLU  16          2HB       GLU  16   8.071  -3.117  -1.167
  491   1HG   GLU  16          1HG       GLU  16   8.907  -5.141  -3.231
  492   2HG   GLU  16          2HG       GLU  16   9.155  -5.314  -1.494
  493    H    ILE  17           H        ILE  17   8.578  -0.232  -2.835
  494    HA   ILE  17           HA       ILE  17   6.329   0.557  -1.204
  495    HB   ILE  17           HB       ILE  17   8.465   1.492  -0.637
  496   1HG1  ILE  17          1HG1      ILE  17   6.598   3.532  -1.860
  497   2HG1  ILE  17          2HG1      ILE  17   6.641   2.987  -0.186
  498   1HG2  ILE  17          1HG2      ILE  17   8.535   2.444  -3.487
  499   2HG2  ILE  17          2HG2      ILE  17   9.601   3.079  -2.234
  500   3HG2  ILE  17          3HG2      ILE  17   9.669   1.371  -2.664
  501   1HD1  ILE  17          1HD1      ILE  17   9.060   3.946  -0.234
  502   2HD1  ILE  17          2HD1      ILE  17   8.459   4.858  -1.619
  503   3HD1  ILE  17          3HD1      ILE  17   7.678   5.025  -0.047
  504    H    GLU  18           H        GLU  18   7.368   0.967  -4.522
  505    HA   GLU  18           HA       GLU  18   5.342   2.913  -5.144
  506   1HB   GLU  18          1HB       GLU  18   7.114   1.263  -6.956
  507   2HB   GLU  18          2HB       GLU  18   6.082   2.586  -7.483
  508   1HG   GLU  18          1HG       GLU  18   7.911   3.299  -5.320
  509   2HG   GLU  18          2HG       GLU  18   8.713   2.799  -6.809
  510    H    ARG  19           H        ARG  19   5.760  -0.566  -5.457
  511    HA   ARG  19           HA       ARG  19   3.383  -0.953  -7.008
  512   1HB   ARG  19          1HB       ARG  19   5.203  -2.829  -5.508
  513   2HB   ARG  19          2HB       ARG  19   3.749  -3.389  -6.319
  514   1HG   ARG  19          1HG       ARG  19   5.904  -1.853  -7.740
  515   2HG   ARG  19          2HG       ARG  19   5.913  -3.612  -7.598
  516   1HD   ARG  19          1HD       ARG  19   3.338  -2.652  -8.480
  517   2HD   ARG  19          2HD       ARG  19   4.625  -2.081  -9.542
  518    HE   ARG  19           HE       ARG  19   3.599  -4.702  -9.422
  519   1HH1  ARG  19          1HH1      ARG  19   6.616  -2.986  -9.699
  520   2HH1  ARG  19          2HH1      ARG  19   7.407  -4.254 -10.575
  521   1HH2  ARG  19          1HH2      ARG  19   4.630  -6.379 -10.575
  522   2HH2  ARG  19          2HH2      ARG  19   6.277  -6.183 -11.074
  523    H    LEU  20           H        LEU  20   4.195  -0.959  -3.596
  524    HA   LEU  20           HA       LEU  20   1.725  -2.101  -2.731
  525   1HB   LEU  20          1HB       LEU  20   4.051  -0.784  -1.432
  526   2HB   LEU  20          2HB       LEU  20   2.543  -0.797  -0.544
  527    HG   LEU  20           HG       LEU  20   4.206  -2.684  -0.085
  528   1HD1  LEU  20          1HD1      LEU  20   1.625  -2.530   0.351
  529   2HD1  LEU  20          2HD1      LEU  20   1.561  -3.799  -0.873
  530   3HD1  LEU  20          3HD1      LEU  20   2.497  -4.043   0.602
  531   1HD2  LEU  20          1HD2      LEU  20   4.196  -2.997  -2.785
  532   2HD2  LEU  20          2HD2      LEU  20   4.677  -4.241  -1.633
  533   3HD2  LEU  20          3HD2      LEU  20   3.040  -4.230  -2.287
  534    H    GLN  21           H        GLN  21   2.927   1.148  -3.301
  535    HA   GLN  21           HA       GLN  21   0.800   2.558  -2.099
  536   1HB   GLN  21          1HB       GLN  21   3.106   3.169  -3.731
  537   2HB   GLN  21          2HB       GLN  21   1.713   4.103  -4.257
  538   1HG   GLN  21          1HG       GLN  21   1.410   4.752  -1.830
  539   2HG   GLN  21          2HG       GLN  21   3.008   4.064  -1.551
  540   2HE2  GLN  21          2HE2      GLN  21   4.812   5.022  -2.586
  541   1HE2  GLN  21          1HE2      GLN  21   4.765   6.669  -3.103
  542    H    LYS  22           H        LYS  22   1.339   1.456  -5.434
  543    HA   LYS  22           HA       LYS  22  -1.010   2.562  -6.525
  544   1HB   LYS  22          1HB       LYS  22   1.057   0.676  -7.358
  545   2HB   LYS  22          2HB       LYS  22  -0.525   0.277  -8.013
  546   1HG   LYS  22          1HG       LYS  22  -0.218   1.798  -9.586
  547   2HG   LYS  22          2HG       LYS  22  -0.207   3.050  -8.342
  548   1HD   LYS  22          1HD       LYS  22   1.818   3.349  -9.475
  549   2HD   LYS  22          2HD       LYS  22   2.263   2.445  -8.025
  550   1HE   LYS  22          1HE       LYS  22   3.371   1.188  -9.555
  551   2HE   LYS  22          2HE       LYS  22   1.802   0.390  -9.651
  552   1HZ   LYS  22          1HZ       LYS  22   1.748   2.545 -11.411
  553   2HZ   LYS  22          2HZ       LYS  22   3.210   1.738 -11.678
  554   3HZ   LYS  22          3HZ       LYS  22   1.748   0.895 -11.791
  555    H    GLU  23           H        GLU  23  -0.351  -0.494  -4.916
  556    HA   GLU  23           HA       GLU  23  -2.791  -1.771  -5.502
  557   1HB   GLU  23          1HB       GLU  23  -0.616  -2.743  -4.498
  558   2HB   GLU  23          2HB       GLU  23  -1.265  -2.216  -2.950
  559   1HG   GLU  23          1HG       GLU  23  -1.903  -4.443  -3.110
  560   2HG   GLU  23          2HG       GLU  23  -3.350  -3.548  -3.568
  561    H    ILE  24           H        ILE  24  -1.810   0.346  -2.838
  562    HA   ILE  24           HA       ILE  24  -4.160   0.042  -1.315
  563    HB   ILE  24           HB       ILE  24  -3.381   1.662   0.096
  564   1HG1  ILE  24          1HG1      ILE  24  -1.784   3.551  -0.845
  565   2HG1  ILE  24          2HG1      ILE  24  -2.587   3.166  -2.364
  566   1HG2  ILE  24          1HG2      ILE  24  -1.473   0.026  -0.856
  567   2HG2  ILE  24          2HG2      ILE  24  -0.720   1.594  -1.146
  568   3HG2  ILE  24          3HG2      ILE  24  -1.233   1.150   0.481
  569   1HD1  ILE  24          1HD1      ILE  24  -4.582   3.411  -0.371
  570   2HD1  ILE  24          2HD1      ILE  24  -3.501   4.800  -0.243
  571   3HD1  ILE  24          3HD1      ILE  24  -4.292   4.438  -1.778
  572    H    GLU  25           H        GLU  25  -3.304   2.198  -3.955
  573    HA   GLU  25           HA       GLU  25  -5.500   3.926  -3.851
  574   1HB   GLU  25          1HB       GLU  25  -3.378   4.066  -5.301
  575   2HB   GLU  25          2HB       GLU  25  -4.233   3.018  -6.425
  576   1HG   GLU  25          1HG       GLU  25  -4.972   4.911  -7.333
  577   2HG   GLU  25          2HG       GLU  25  -6.083   4.964  -5.964
  578    H    ARG  26           H        ARG  26  -5.075   0.830  -5.531
  579    HA   ARG  26           HA       ARG  26  -7.496   0.745  -6.895
  580   1HB   ARG  26          1HB       ARG  26  -5.389  -0.938  -6.679
  581   2HB   ARG  26          2HB       ARG  26  -6.568  -1.802  -5.702
  582   1HG   ARG  26          1HG       ARG  26  -8.109  -1.886  -7.549
  583   2HG   ARG  26          2HG       ARG  26  -7.035  -0.889  -8.532
  584   1HD   ARG  26          1HD       ARG  26  -5.298  -2.686  -8.269
  585   2HD   ARG  26          2HD       ARG  26  -6.549  -3.688  -7.535
  586    HE   ARG  26           HE       ARG  26  -7.610  -2.880  -9.923
  587   1HH1  ARG  26          1HH1      ARG  26  -4.728  -4.563  -8.932
  588   2HH1  ARG  26          2HH1      ARG  26  -4.614  -5.493 -10.390
  589   1HH2  ARG  26          1HH2      ARG  26  -7.469  -4.097 -11.846
  590   2HH2  ARG  26          2HH2      ARG  26  -6.172  -5.226 -12.047
  591    H    HIS  27           H        HIS  27  -6.712  -0.444  -3.638
  592    HA   HIS  27           HA       HIS  27  -9.309  -1.344  -3.006
  593   1HB   HIS  27          1HB       HIS  27  -6.803  -0.819  -1.538
  594   2HB   HIS  27          2HB       HIS  27  -8.269  -0.690  -0.572
  595    HD1  HIS  27           HD1      HIS  27  -9.912  -2.913  -0.861
  596    HD2  HIS  27           HD2      HIS  27  -5.865  -3.348  -1.702
  597    HE1  HIS  27           HE1      HIS  27  -9.463  -5.385  -0.747
  598    HE2  HIS  27           HE2      HIS  27  -7.008  -5.626  -1.260
  599    H    LYS  28           H        LYS  28  -7.850   1.795  -3.037
  600    HA   LYS  28           HA       LYS  28  -9.773   3.073  -1.346
  601   1HB   LYS  28          1HB       LYS  28  -7.538   4.010  -1.610
  602   2HB   LYS  28          2HB       LYS  28  -7.804   4.216  -3.335
  603   1HG   LYS  28          1HG       LYS  28  -9.704   5.759  -2.743
  604   2HG   LYS  28          2HG       LYS  28  -9.127   5.690  -1.077
  605   1HD   LYS  28          1HD       LYS  28  -7.457   6.551  -3.437
  606   2HD   LYS  28          2HD       LYS  28  -8.283   7.656  -2.337
  607   1HE   LYS  28          1HE       LYS  28  -6.372   5.587  -1.311
  608   2HE   LYS  28          2HE       LYS  28  -5.791   7.132  -1.928
  609   1HZ   LYS  28          1HZ       LYS  28  -7.914   7.050   0.115
  610   2HZ   LYS  28          2HZ       LYS  28  -6.293   6.894   0.568
  611   3HZ   LYS  28          3HZ       LYS  28  -6.817   8.290  -0.231
  612    H    GLN  29           H        GLN  29  -9.562   2.268  -4.707
  613    HA   GLN  29           HA       GLN  29 -11.582   4.113  -5.577
  614   1HB   GLN  29          1HB       GLN  29  -9.757   3.183  -7.044
  615   2HB   GLN  29          2HB       GLN  29 -10.597   1.638  -7.003
  616   1HG   GLN  29          1HG       GLN  29 -12.497   2.565  -8.116
  617   2HG   GLN  29          2HG       GLN  29 -11.834   4.194  -7.995
  618   2HE2  GLN  29          2HE2      GLN  29 -11.642   4.690 -10.105
  619   1HE2  GLN  29          1HE2      GLN  29 -10.645   3.833 -11.225
  620    H    SER  30           H        SER  30 -11.461   0.771  -4.526
  621    HA   SER  30           HA       SER  30 -14.160   0.172  -5.291
  622   1HB   SER  30          1HB       SER  30 -12.016  -1.227  -3.747
  623   2HB   SER  30          2HB       SER  30 -13.680  -1.783  -3.568
  624    HG   SER  30           HG       SER  30 -11.958  -2.137  -5.630
  625    H    ILE  31           H        ILE  31 -12.536   1.127  -2.303
  626    HA   ILE  31           HA       ILE  31 -14.914   0.950  -0.704
  627    HB   ILE  31           HB       ILE  31 -12.776   0.627   0.356
  628   1HG1  ILE  31          1HG1      ILE  31 -12.869   2.594   2.073
  629   2HG1  ILE  31          2HG1      ILE  31 -14.321   3.061   1.198
  630   1HG2  ILE  31          1HG2      ILE  31 -11.903   2.661  -1.305
  631   2HG2  ILE  31          2HG2      ILE  31 -11.798   3.350   0.315
  632   3HG2  ILE  31          3HG2      ILE  31 -10.962   1.844  -0.057
  633   1HD1  ILE  31          1HD1      ILE  31 -14.038   0.264   2.165
  634   2HD1  ILE  31          2HD1      ILE  31 -14.467   1.540   3.299
  635   3HD1  ILE  31          3HD1      ILE  31 -15.494   1.222   1.903
  636    H    LYS  32           H        LYS  32 -13.369   3.380  -2.646
  637    HA   LYS  32           HA       LYS  32 -14.870   5.568  -1.501
  638   1HB   LYS  32          1HB       LYS  32 -12.635   6.001  -2.353
  639   2HB   LYS  32          2HB       LYS  32 -13.096   5.415  -3.945
  640   1HG   LYS  32          1HG       LYS  32 -13.123   7.743  -4.123
  641   2HG   LYS  32          2HG       LYS  32 -14.820   7.284  -3.962
  642   1HD   LYS  32          1HD       LYS  32 -14.520   9.135  -2.529
  643   2HD   LYS  32          2HD       LYS  32 -14.553   7.719  -1.477
  644   1HE   LYS  32          1HE       LYS  32 -12.558   8.263  -0.672
  645   2HE   LYS  32          2HE       LYS  32 -11.867   8.153  -2.290
  646   1HZ   LYS  32          1HZ       LYS  32 -12.747  10.496  -2.601
  647   2HZ   LYS  32          2HZ       LYS  32 -12.958  10.537  -0.923
  648   3HZ   LYS  32          3HZ       LYS  32 -11.413  10.313  -1.576
  649    H    LYS  33           H        LYS  33 -15.148   3.355  -4.172
  650    HA   LYS  33           HA       LYS  33 -17.215   4.871  -5.499
  651   1HB   LYS  33          1HB       LYS  33 -15.641   3.428  -6.758
  652   2HB   LYS  33          2HB       LYS  33 -16.318   2.019  -5.955
  653   1HG   LYS  33          1HG       LYS  33 -18.554   2.726  -6.936
  654   2HG   LYS  33          2HG       LYS  33 -17.627   3.830  -7.954
  655   1HD   LYS  33          1HD       LYS  33 -16.315   1.915  -8.789
  656   2HD   LYS  33          2HD       LYS  33 -17.313   0.832  -7.816
  657   1HE   LYS  33          1HE       LYS  33 -18.833   0.753  -9.430
  658   2HE   LYS  33          2HE       LYS  33 -19.027   2.504  -9.354
  659   1HZ   LYS  33          1HZ       LYS  33 -16.789   2.359 -10.747
  660   2HZ   LYS  33          2HZ       LYS  33 -17.476   0.885 -11.214
  661   3HZ   LYS  33          3HZ       LYS  33 -18.316   2.329 -11.476
  662    H    LEU  34           H        LEU  34 -16.987   2.199  -3.251
  663    HA   LEU  34           HA       LEU  34 -19.782   1.528  -3.429
  664   1HB   LEU  34          1HB       LEU  34 -17.410   0.456  -2.153
  665   2HB   LEU  34          2HB       LEU  34 -18.772   0.475  -1.050
  666    HG   LEU  34           HG       LEU  34 -19.594  -0.567  -3.606
  667   1HD1  LEU  34          1HD1      LEU  34 -16.948  -1.345  -2.736
  668   2HD1  LEU  34          2HD1      LEU  34 -18.049  -2.721  -2.796
  669   3HD1  LEU  34          3HD1      LEU  34 -17.804  -1.726  -4.231
  670   1HD2  LEU  34          1HD2      LEU  34 -19.441  -1.662  -0.805
  671   2HD2  LEU  34          2HD2      LEU  34 -20.846  -0.979  -1.621
  672   3HD2  LEU  34          3HD2      LEU  34 -20.181  -2.523  -2.154
  673    H    LYS  35           H        LYS  35 -17.743   3.549  -1.441
  674    HA   LYS  35           HA       LYS  35 -19.758   4.003   0.567
  675   1HB   LYS  35          1HB       LYS  35 -17.217   4.115   0.890
  676   2HB   LYS  35          2HB       LYS  35 -17.302   5.688   0.109
  677   1HG   LYS  35          1HG       LYS  35 -19.173   5.259   2.343
  678   2HG   LYS  35          2HG       LYS  35 -17.461   5.326   2.762
  679   1HD   LYS  35          1HD       LYS  35 -18.528   7.402   0.922
  680   2HD   LYS  35          2HD       LYS  35 -18.960   7.510   2.630
  681   1HE   LYS  35          1HE       LYS  35 -16.267   6.996   2.722
  682   2HE   LYS  35          2HE       LYS  35 -16.412   8.024   1.296
  683   1HZ   LYS  35          1HZ       LYS  35 -17.984   9.090   3.371
  684   2HZ   LYS  35          2HZ       LYS  35 -16.427   8.799   3.968
  685   3HZ   LYS  35          3HZ       LYS  35 -16.640   9.777   2.605
  686    H    GLN  36           H        GLN  36 -18.679   5.536  -2.380
  687    HA   GLN  36           HA       GLN  36 -20.157   7.967  -1.920
  688   1HB   GLN  36          1HB       GLN  36 -18.135   8.076  -3.245
  689   2HB   GLN  36          2HB       GLN  36 -18.764   6.883  -4.373
  690   1HG   GLN  36          1HG       GLN  36 -20.640   8.986  -4.257
  691   2HG   GLN  36          2HG       GLN  36 -19.042   9.715  -4.412
  692   2HE2  GLN  36          2HE2      GLN  36 -21.256   9.575  -6.323
  693   1HE2  GLN  36          1HE2      GLN  36 -20.614   8.815  -7.736
  694    H    SER  37           H        SER  37 -20.692   4.897  -3.465
  695    HA   SER  37           HA       SER  37 -23.028   5.753  -4.915
  696   1HB   SER  37          1HB       SER  37 -21.395   3.780  -5.453
  697   2HB   SER  37          2HB       SER  37 -22.408   2.876  -4.329
  698    HG   SER  37           HG       SER  37 -23.647   2.610  -6.001
  699    H    GLU  38           H        GLU  38 -22.319   4.402  -1.793
  700    HA   GLU  38           HA       GLU  38 -25.012   3.572  -1.234
  701   1HB   GLU  38          1HB       GLU  38 -22.477   3.189  -0.062
  702   2HB   GLU  38          2HB       GLU  38 -23.452   4.016   1.145
  703   1HG   GLU  38          1HG       GLU  38 -25.156   2.083   0.198
  704   2HG   GLU  38          2HG       GLU  38 -23.589   1.276   0.185
  705    H    ASP  39           H        ASP  39 -23.167   6.486  -0.916
  706    HA   ASP  39           HA       ASP  39 -24.924   7.721   0.998
  707   1HB   ASP  39          1HB       ASP  39 -22.561   8.607  -0.610
  708   2HB   ASP  39          2HB       ASP  39 -23.605   9.825   0.113
  709    H    ASP  40           H        ASP  40 -24.762   7.427  -2.446
  710    HA   ASP  40           HA       ASP  40 -26.138   8.113  -4.121
  711   1HB   ASP  40          1HB       ASP  40 -27.877   8.224  -1.714
  712   2HB   ASP  40          2HB       ASP  40 -28.455   9.060  -3.152
  713    H    ASP  41           H        ASP  41 -24.341   9.847  -4.054
  714    HA   ASP  41           HA       ASP  41 -23.688  12.020  -4.275
  715   1HB   ASP  41          1HB       ASP  41 -26.555  12.677  -4.904
  716   2HB   ASP  41          2HB       ASP  41 -25.089  13.368  -5.596

  No H/Q in entry =         716
  Start of MODEL    6
    1    H1   ALA   1           H1       ALA   1 -33.061  -8.378   3.664
    2    H2   ALA   1           H2       ALA   1 -32.435  -7.894   5.187
    3    H3   ALA   1           H3       ALA   1 -33.574  -6.903   4.375
    4    HA   ALA   1           HA       ALA   1 -32.107  -6.118   2.918
    5   1HB   ALA   1          1HB       ALA   1 -29.778  -6.420   4.458
    6   2HB   ALA   1          2HB       ALA   1 -31.127  -6.402   5.594
    7   3HB   ALA   1          3HB       ALA   1 -30.909  -5.067   4.461
    8    H    LEU   2           H        LEU   2 -31.791  -7.282   1.084
    9    HA   LEU   2           HA       LEU   2 -30.199  -9.679   1.058
   10   1HB   LEU   2          1HB       LEU   2 -32.198  -9.083  -0.457
   11   2HB   LEU   2          2HB       LEU   2 -31.046  -8.128  -1.370
   12    HG   LEU   2           HG       LEU   2 -30.041 -10.805  -0.934
   13   1HD1  LEU   2          1HD1      LEU   2 -32.650 -11.038  -0.960
   14   2HD1  LEU   2          2HD1      LEU   2 -32.445 -10.791  -2.694
   15   3HD1  LEU   2          3HD1      LEU   2 -31.638 -12.140  -1.893
   16   1HD2  LEU   2          1HD2      LEU   2 -29.352  -9.057  -2.632
   17   2HD2  LEU   2          2HD2      LEU   2 -29.575 -10.695  -3.245
   18   3HD2  LEU   2          3HD2      LEU   2 -30.820  -9.475  -3.516
   19    H    LYS   3           H        LYS   3 -29.683  -6.296   0.532
   20    HA   LYS   3           HA       LYS   3 -27.070  -6.764  -0.689
   21   1HB   LYS   3          1HB       LYS   3 -28.860  -4.393  -0.378
   22   2HB   LYS   3          2HB       LYS   3 -27.134  -4.122  -0.579
   23   1HG   LYS   3          1HG       LYS   3 -27.328  -5.639  -2.633
   24   2HG   LYS   3          2HG       LYS   3 -29.068  -5.383  -2.486
   25   1HD   LYS   3          1HD       LYS   3 -28.388  -2.860  -2.373
   26   2HD   LYS   3          2HD       LYS   3 -26.908  -3.428  -3.147
   27   1HE   LYS   3          1HE       LYS   3 -29.520  -4.304  -4.267
   28   2HE   LYS   3          2HE       LYS   3 -28.998  -2.646  -4.559
   29   1HZ   LYS   3          1HZ       LYS   3 -26.919  -3.532  -5.471
   30   2HZ   LYS   3          2HZ       LYS   3 -27.493  -5.109  -5.257
   31   3HZ   LYS   3          3HZ       LYS   3 -28.267  -4.066  -6.340
   32    H    LYS   4           H        LYS   4 -27.712  -7.408   2.141
   33    HA   LYS   4           HA       LYS   4 -26.435  -5.489   3.810
   34   1HB   LYS   4          1HB       LYS   4 -28.052  -7.557   4.326
   35   2HB   LYS   4          2HB       LYS   4 -26.510  -8.347   4.626
   36   1HG   LYS   4          1HG       LYS   4 -26.557  -5.787   5.911
   37   2HG   LYS   4          2HG       LYS   4 -27.978  -6.725   6.372
   38   1HD   LYS   4          1HD       LYS   4 -26.757  -8.065   7.667
   39   2HD   LYS   4          2HD       LYS   4 -25.611  -8.374   6.361
   40   1HE   LYS   4          1HE       LYS   4 -24.157  -7.302   7.698
   41   2HE   LYS   4          2HE       LYS   4 -24.924  -5.849   7.059
   42   1HZ   LYS   4          1HZ       LYS   4 -26.333  -6.952   9.295
   43   2HZ   LYS   4          2HZ       LYS   4 -24.740  -6.531   9.685
   44   3HZ   LYS   4          3HZ       LYS   4 -25.788  -5.371   9.038
   45    H    HIS   5           H        HIS   5 -25.359  -8.388   2.125
   46    HA   HIS   5           HA       HIS   5 -22.864  -8.730   3.294
   47   1HB   HIS   5          1HB       HIS   5 -22.244  -9.957   1.314
   48   2HB   HIS   5          2HB       HIS   5 -23.937 -10.289   1.664
   49    HD1  HIS   5           HD1      HIS   5 -22.062 -10.034  -1.154
   50    HD2  HIS   5           HD2      HIS   5 -25.409  -7.910   0.092
   51    HE1  HIS   5           HE1      HIS   5 -23.082  -9.094  -3.253
   52    HE2  HIS   5           HE2      HIS   5 -25.107  -7.813  -2.475
   53    H    HIS   6           H        HIS   6 -23.958  -6.349   1.010
   54    HA   HIS   6           HA       HIS   6 -21.516  -5.506  -0.054
   55   1HB   HIS   6          1HB       HIS   6 -24.231  -4.414   0.176
   56   2HB   HIS   6          2HB       HIS   6 -22.974  -3.185   0.095
   57    HD1  HIS   6           HD1      HIS   6 -22.510  -6.382  -1.770
   58    HD2  HIS   6           HD2      HIS   6 -23.753  -2.488  -2.514
   59    HE1  HIS   6           HE1      HIS   6 -22.561  -6.160  -4.274
   60    HE2  HIS   6           HE2      HIS   6 -23.317  -3.795  -4.704
   61    H    GLU   7           H        GLU   7 -23.217  -4.472   2.883
   62    HA   GLU   7           HA       GLU   7 -21.481  -2.422   3.642
   63   1HB   GLU   7          1HB       GLU   7 -23.770  -3.447   4.667
   64   2HB   GLU   7          2HB       GLU   7 -22.603  -4.073   5.824
   65   1HG   GLU   7          1HG       GLU   7 -22.707  -1.172   5.066
   66   2HG   GLU   7          2HG       GLU   7 -23.695  -1.848   6.360
   67    H    ASN   8           H        ASN   8 -21.138  -5.862   3.805
   68    HA   ASN   8           HA       ASN   8 -19.051  -5.918   5.751
   69   1HB   ASN   8          1HB       ASN   8 -19.711  -7.966   3.619
   70   2HB   ASN   8          2HB       ASN   8 -18.726  -8.237   5.053
   71   2HD2  ASN   8          2HD2      ASN   8 -19.828  -9.549   6.319
   72   1HD2  ASN   8          1HD2      ASN   8 -21.483  -9.362   6.777
   73    H    GLU   9           H        GLU   9 -19.007  -6.435   2.220
   74    HA   GLU   9           HA       GLU   9 -16.235  -6.402   1.912
   75   1HB   GLU   9          1HB       GLU   9 -18.518  -6.455   0.217
   76   2HB   GLU   9          2HB       GLU   9 -17.452  -5.189  -0.374
   77   1HG   GLU   9          1HG       GLU   9 -15.593  -6.922  -0.254
   78   2HG   GLU   9          2HG       GLU   9 -16.879  -8.114  -0.061
   79    H    ILE  10           H        ILE  10 -18.447  -3.849   2.561
   80    HA   ILE  10           HA       ILE  10 -16.900  -1.705   1.526
   81    HB   ILE  10           HB       ILE  10 -19.464  -2.022   2.624
   82   1HG1  ILE  10          1HG1      ILE  10 -18.675   0.740   2.077
   83   2HG1  ILE  10          2HG1      ILE  10 -18.179  -0.403   0.830
   84   1HG2  ILE  10          1HG2      ILE  10 -18.675  -1.464   4.853
   85   2HG2  ILE  10          2HG2      ILE  10 -17.955   0.025   4.243
   86   3HG2  ILE  10          3HG2      ILE  10 -19.707  -0.184   4.216
   87   1HD1  ILE  10          1HD1      ILE  10 -20.766  -1.145   1.321
   88   2HD1  ILE  10          2HD1      ILE  10 -20.822   0.610   1.498
   89   3HD1  ILE  10          3HD1      ILE  10 -20.223  -0.108   0.002
   90    H    SER  11           H        SER  11 -17.391  -2.943   4.831
   91    HA   SER  11           HA       SER  11 -15.550  -1.210   6.069
   92   1HB   SER  11          1HB       SER  11 -17.287  -3.300   6.871
   93   2HB   SER  11          2HB       SER  11 -15.680  -3.712   7.471
   94    HG   SER  11           HG       SER  11 -16.757  -1.125   7.805
   95    H    HIS  12           H        HIS  12 -15.122  -4.101   4.222
   96    HA   HIS  12           HA       HIS  12 -12.516  -4.703   5.249
   97   1HB   HIS  12          1HB       HIS  12 -13.114  -6.672   4.358
   98   2HB   HIS  12          2HB       HIS  12 -14.436  -5.930   3.474
   99    HD1  HIS  12           HD1      HIS  12 -10.710  -6.574   3.068
  100    HD2  HIS  12           HD2      HIS  12 -14.127  -5.972   0.784
  101    HE1  HIS  12           HE1      HIS  12 -10.003  -6.968   0.686
  102    HE2  HIS  12           HE2      HIS  12 -12.088  -6.601  -0.681
  103    H    HIS  13           H        HIS  13 -13.765  -3.112   2.317
  104    HA   HIS  13           HA       HIS  13 -11.231  -2.644   1.151
  105   1HB   HIS  13          1HB       HIS  13 -13.715  -0.958   0.821
  106   2HB   HIS  13          2HB       HIS  13 -12.343  -1.033  -0.273
  107    HD1  HIS  13           HD1      HIS  13 -12.235  -4.256  -0.173
  108    HD2  HIS  13           HD2      HIS  13 -15.497  -1.853  -1.078
  109    HE1  HIS  13           HE1      HIS  13 -13.761  -5.695  -1.562
  110    HE2  HIS  13           HE2      HIS  13 -15.734  -4.222  -2.098
  111    H    ALA  14           H        ALA  14 -13.011  -1.080   3.679
  112    HA   ALA  14           HA       ALA  14 -11.652   1.418   3.621
  113   1HB   ALA  14          1HB       ALA  14 -13.879   0.872   4.750
  114   2HB   ALA  14          2HB       ALA  14 -12.761   1.913   5.630
  115   3HB   ALA  14          3HB       ALA  14 -12.911   0.212   6.068
  116    H    LYS  15           H        LYS  15 -11.351  -1.412   5.769
  117    HA   LYS  15           HA       LYS  15  -9.005  -0.453   7.052
  118   1HB   LYS  15          1HB       LYS  15 -10.698  -2.806   7.171
  119   2HB   LYS  15          2HB       LYS  15  -8.998  -3.239   7.283
  120   1HG   LYS  15          1HG       LYS  15  -8.719  -2.203   9.290
  121   2HG   LYS  15          2HG       LYS  15  -9.965  -0.996   8.966
  122   1HD   LYS  15          1HD       LYS  15 -11.604  -2.991   9.102
  123   2HD   LYS  15          2HD       LYS  15 -10.273  -3.824   9.909
  124   1HE   LYS  15          1HE       LYS  15 -11.261  -2.924  11.743
  125   2HE   LYS  15          2HE       LYS  15 -10.235  -1.557  11.306
  126   1HZ   LYS  15          1HZ       LYS  15 -12.747  -1.503   9.945
  127   2HZ   LYS  15          2HZ       LYS  15 -12.944  -1.501  11.625
  128   3HZ   LYS  15          3HZ       LYS  15 -12.005  -0.306  10.883
  129    H    GLU  16           H        GLU  16  -9.549  -1.819   3.981
  130    HA   GLU  16           HA       GLU  16  -6.928  -3.002   3.722
  131   1HB   GLU  16          1HB       GLU  16  -9.340  -2.749   1.985
  132   2HB   GLU  16          2HB       GLU  16  -7.787  -3.036   1.213
  133   1HG   GLU  16          1HG       GLU  16  -9.088  -4.764   3.305
  134   2HG   GLU  16          2HG       GLU  16  -8.949  -5.120   1.583
  135    H    ILE  17           H        ILE  17  -8.561  -0.016   2.793
  136    HA   ILE  17           HA       ILE  17  -6.368   0.870   1.140
  137    HB   ILE  17           HB       ILE  17  -8.579   1.669   0.609
  138   1HG1  ILE  17          1HG1      ILE  17  -6.497   3.174   0.383
  139   2HG1  ILE  17          2HG1      ILE  17  -8.079   3.927   0.226
  140   1HG2  ILE  17          1HG2      ILE  17  -8.595   2.777   3.407
  141   2HG2  ILE  17          2HG2      ILE  17  -9.751   3.250   2.161
  142   3HG2  ILE  17          3HG2      ILE  17  -9.682   1.576   2.710
  143   1HD1  ILE  17          1HD1      ILE  17  -7.274   4.012   2.962
  144   2HD1  ILE  17          2HD1      ILE  17  -5.974   4.637   1.946
  145   3HD1  ILE  17          3HD1      ILE  17  -7.587   5.343   1.849
  146    H    GLU  18           H        GLU  18  -7.415   1.288   4.457
  147    HA   GLU  18           HA       GLU  18  -5.462   3.323   5.038
  148   1HB   GLU  18          1HB       GLU  18  -7.732   2.152   6.360
  149   2HB   GLU  18          2HB       GLU  18  -6.344   2.117   7.438
  150   1HG   GLU  18          1HG       GLU  18  -7.255   4.590   5.996
  151   2HG   GLU  18          2HG       GLU  18  -7.798   4.146   7.613
  152    H    ARG  19           H        ARG  19  -5.795  -0.158   5.508
  153    HA   ARG  19           HA       ARG  19  -3.379  -0.424   7.017
  154   1HB   ARG  19          1HB       ARG  19  -5.271  -2.041   7.145
  155   2HB   ARG  19          2HB       ARG  19  -4.907  -2.550   5.501
  156   1HG   ARG  19          1HG       ARG  19  -3.305  -3.918   6.192
  157   2HG   ARG  19          2HG       ARG  19  -2.560  -2.661   7.181
  158   1HD   ARG  19          1HD       ARG  19  -5.076  -3.935   8.139
  159   2HD   ARG  19          2HD       ARG  19  -3.569  -4.843   8.263
  160    HE   ARG  19           HE       ARG  19  -4.384  -2.673   9.901
  161   1HH1  ARG  19          1HH1      ARG  19  -1.584  -4.108   8.408
  162   2HH1  ARG  19          2HH1      ARG  19  -0.479  -3.503   9.596
  163   1HH2  ARG  19          1HH2      ARG  19  -2.937  -1.871  11.472
  164   2HH2  ARG  19          2HH2      ARG  19  -1.248  -2.232  11.340
  165    H    LEU  20           H        LEU  20  -4.227  -0.431   3.642
  166    HA   LEU  20           HA       LEU  20  -1.801  -1.624   2.718
  167   1HB   LEU  20          1HB       LEU  20  -4.069  -0.151   1.442
  168   2HB   LEU  20          2HB       LEU  20  -2.585  -0.376   0.537
  169    HG   LEU  20           HG       LEU  20  -3.999  -2.713   1.785
  170   1HD1  LEU  20          1HD1      LEU  20  -5.178  -1.064  -0.105
  171   2HD1  LEU  20          2HD1      LEU  20  -4.495  -2.390  -1.046
  172   3HD1  LEU  20          3HD1      LEU  20  -5.622  -2.729   0.268
  173   1HD2  LEU  20          1HD2      LEU  20  -1.817  -2.270  -0.172
  174   2HD2  LEU  20          2HD2      LEU  20  -1.995  -3.509   1.069
  175   3HD2  LEU  20          3HD2      LEU  20  -2.891  -3.642  -0.444
  176    H    GLN  21           H        GLN  21  -2.965   1.667   3.214
  177    HA   GLN  21           HA       GLN  21  -0.804   3.023   2.037
  178   1HB   GLN  21          1HB       GLN  21  -2.860   4.184   2.565
  179   2HB   GLN  21          2HB       GLN  21  -2.655   3.849   4.279
  180   1HG   GLN  21          1HG       GLN  21  -0.997   5.422   4.528
  181   2HG   GLN  21          2HG       GLN  21  -0.556   5.382   2.822
  182   2HE2  GLN  21          2HE2      GLN  21  -2.889   6.547   5.150
  183   1HE2  GLN  21          1HE2      GLN  21  -3.538   7.806   4.161
  184    H    LYS  22           H        LYS  22  -1.363   1.962   5.383
  185    HA   LYS  22           HA       LYS  22   1.005   3.047   6.459
  186   1HB   LYS  22          1HB       LYS  22  -1.176   1.782   7.497
  187   2HB   LYS  22          2HB       LYS  22   0.050   0.532   7.660
  188   1HG   LYS  22          1HG       LYS  22   1.268   2.876   8.557
  189   2HG   LYS  22          2HG       LYS  22  -0.365   2.905   9.225
  190   1HD   LYS  22          1HD       LYS  22   1.352   0.448   9.387
  191   2HD   LYS  22          2HD       LYS  22   1.476   1.739  10.584
  192   1HE   LYS  22          1HE       LYS  22  -1.174   0.523   9.888
  193   2HE   LYS  22          2HE       LYS  22  -0.102  -0.247  11.057
  194   1HZ   LYS  22          1HZ       LYS  22  -0.131   2.301  11.911
  195   2HZ   LYS  22          2HZ       LYS  22  -1.707   2.137  11.322
  196   3HZ   LYS  22          3HZ       LYS  22  -1.135   1.079  12.511
  197    H    GLU  23           H        GLU  23   0.296  -0.021   4.897
  198    HA   GLU  23           HA       GLU  23   2.718  -1.325   5.511
  199   1HB   GLU  23          1HB       GLU  23   0.370  -1.893   4.030
  200   2HB   GLU  23          2HB       GLU  23   1.733  -2.162   2.952
  201   1HG   GLU  23          1HG       GLU  23   1.739  -4.202   3.872
  202   2HG   GLU  23          2HG       GLU  23   2.619  -3.405   5.175
  203    H    ILE  24           H        ILE  24   1.780   0.812   2.862
  204    HA   ILE  24           HA       ILE  24   4.106   0.407   1.308
  205    HB   ILE  24           HB       ILE  24   3.340   2.005  -0.133
  206   1HG1  ILE  24          1HG1      ILE  24   1.801   3.951   0.759
  207   2HG1  ILE  24          2HG1      ILE  24   2.577   3.582   2.296
  208   1HG2  ILE  24          1HG2      ILE  24   1.432   0.409   0.799
  209   2HG2  ILE  24          2HG2      ILE  24   0.705   1.962   1.203
  210   3HG2  ILE  24          3HG2      ILE  24   1.141   1.603  -0.465
  211   1HD1  ILE  24          1HD1      ILE  24   4.603   3.735   0.330
  212   2HD1  ILE  24          2HD1      ILE  24   3.553   5.141   0.144
  213   3HD1  ILE  24          3HD1      ILE  24   4.312   4.808   1.700
  214    H    GLU  25           H        GLU  25   3.298   2.669   3.881
  215    HA   GLU  25           HA       GLU  25   5.537   4.333   3.726
  216   1HB   GLU  25          1HB       GLU  25   3.398   4.521   5.187
  217   2HB   GLU  25          2HB       GLU  25   4.297   3.556   6.351
  218   1HG   GLU  25          1HG       GLU  25   4.694   5.726   7.037
  219   2HG   GLU  25          2HG       GLU  25   6.131   5.335   6.094
  220    H    ARG  26           H        ARG  26   5.036   1.298   5.490
  221    HA   ARG  26           HA       ARG  26   7.462   1.203   6.857
  222   1HB   ARG  26          1HB       ARG  26   5.280  -0.507   6.477
  223   2HB   ARG  26          2HB       ARG  26   6.669  -1.418   5.906
  224   1HG   ARG  26          1HG       ARG  26   6.989  -0.030   8.489
  225   2HG   ARG  26          2HG       ARG  26   5.869  -1.393   8.457
  226   1HD   ARG  26          1HD       ARG  26   8.254  -2.079   7.031
  227   2HD   ARG  26          2HD       ARG  26   8.683  -1.454   8.622
  228    HE   ARG  26           HE       ARG  26   6.665  -3.229   9.105
  229   1HH1  ARG  26          1HH1      ARG  26   9.761  -3.387   7.519
  230   2HH1  ARG  26          2HH1      ARG  26  10.022  -5.054   7.908
  231   1HH2  ARG  26          1HH2      ARG  26   6.998  -5.425   9.624
  232   2HH2  ARG  26          2HH2      ARG  26   8.450  -6.214   9.106
  233    H    HIS  27           H        HIS  27   6.628  -0.114   3.659
  234    HA   HIS  27           HA       HIS  27   9.192  -1.114   3.060
  235   1HB   HIS  27          1HB       HIS  27   6.682  -0.648   1.618
  236   2HB   HIS  27          2HB       HIS  27   8.112  -0.481   0.605
  237    HD1  HIS  27           HD1      HIS  27   9.708  -2.627   0.509
  238    HD2  HIS  27           HD2      HIS  27   5.950  -3.226   2.179
  239    HE1  HIS  27           HE1      HIS  27   9.364  -5.118   0.514
  240    HE2  HIS  27           HE2      HIS  27   7.084  -5.459   1.529
  241    H    LYS  28           H        LYS  28   7.852   2.072   2.980
  242    HA   LYS  28           HA       LYS  28   9.824   3.188   1.219
  243   1HB   LYS  28          1HB       LYS  28   7.475   4.089   1.617
  244   2HB   LYS  28          2HB       LYS  28   8.075   4.705   3.150
  245   1HG   LYS  28          1HG       LYS  28   9.939   5.653   1.401
  246   2HG   LYS  28          2HG       LYS  28   8.461   5.715   0.439
  247   1HD   LYS  28          1HD       LYS  28   8.457   7.780   1.489
  248   2HD   LYS  28          2HD       LYS  28   7.432   6.814   2.552
  249   1HE   LYS  28          1HE       LYS  28   9.379   6.400   4.006
  250   2HE   LYS  28          2HE       LYS  28  10.359   7.427   2.960
  251   1HZ   LYS  28          1HZ       LYS  28   8.462   9.132   3.470
  252   2HZ   LYS  28          2HZ       LYS  28   8.244   8.174   4.846
  253   3HZ   LYS  28          3HZ       LYS  28   9.740   8.910   4.556
  254    H    GLN  29           H        GLN  29   9.542   2.590   4.618
  255    HA   GLN  29           HA       GLN  29  11.585   4.432   5.424
  256   1HB   GLN  29          1HB       GLN  29   9.641   3.360   6.819
  257   2HB   GLN  29          2HB       GLN  29  10.790   2.052   7.060
  258   1HG   GLN  29          1HG       GLN  29  11.556   3.207   8.789
  259   2HG   GLN  29          2HG       GLN  29  12.261   4.319   7.616
  260   2HE2  GLN  29          2HE2      GLN  29  11.838   6.351   8.043
  261   1HE2  GLN  29          1HE2      GLN  29  10.392   6.970   8.760
  262    H    SER  30           H        SER  30  11.434   1.021   4.586
  263    HA   SER  30           HA       SER  30  14.111   0.438   5.406
  264   1HB   SER  30          1HB       SER  30  12.642  -1.174   3.343
  265   2HB   SER  30          2HB       SER  30  13.734  -1.724   4.614
  266    HG   SER  30           HG       SER  30  11.650  -2.221   5.225
  267    H    ILE  31           H        ILE  31  12.557   1.257   2.346
  268    HA   ILE  31           HA       ILE  31  14.904   0.948   0.756
  269    HB   ILE  31           HB       ILE  31  12.704   0.803  -0.258
  270   1HG1  ILE  31          1HG1      ILE  31  13.031   2.572  -2.096
  271   2HG1  ILE  31          2HG1      ILE  31  14.467   3.057  -1.199
  272   1HG2  ILE  31          1HG2      ILE  31  11.632   2.495   1.240
  273   2HG2  ILE  31          2HG2      ILE  31  12.388   3.752   0.267
  274   3HG2  ILE  31          3HG2      ILE  31  11.212   2.660  -0.463
  275   1HD1  ILE  31          1HD1      ILE  31  13.970   0.279  -2.226
  276   2HD1  ILE  31          2HD1      ILE  31  14.907   1.505  -3.074
  277   3HD1  ILE  31          3HD1      ILE  31  15.455   0.904  -1.511
  278    H    LYS  32           H        LYS  32  13.578   3.529   2.672
  279    HA   LYS  32           HA       LYS  32  15.184   5.589   1.462
  280   1HB   LYS  32          1HB       LYS  32  12.986   6.063   2.506
  281   2HB   LYS  32          2HB       LYS  32  13.657   5.624   4.071
  282   1HG   LYS  32          1HG       LYS  32  14.233   7.743   4.339
  283   2HG   LYS  32          2HG       LYS  32  15.405   7.537   3.036
  284   1HD   LYS  32          1HD       LYS  32  12.526   8.169   2.466
  285   2HD   LYS  32          2HD       LYS  32  13.691   9.443   2.838
  286   1HE   LYS  32          1HE       LYS  32  14.702   7.578   0.860
  287   2HE   LYS  32          2HE       LYS  32  13.191   8.330   0.349
  288   1HZ   LYS  32          1HZ       LYS  32  14.187  10.503   0.805
  289   2HZ   LYS  32          2HZ       LYS  32  15.646   9.754   1.223
  290   3HZ   LYS  32          3HZ       LYS  32  15.064   9.647  -0.361
  291    H    LYS  33           H        LYS  33  15.371   3.527   4.306
  292    HA   LYS  33           HA       LYS  33  17.676   4.862   5.382
  293   1HB   LYS  33          1HB       LYS  33  16.066   3.674   6.825
  294   2HB   LYS  33          2HB       LYS  33  16.511   2.155   6.060
  295   1HG   LYS  33          1HG       LYS  33  18.924   2.839   6.837
  296   2HG   LYS  33          2HG       LYS  33  18.028   3.819   8.000
  297   1HD   LYS  33          1HD       LYS  33  17.333   0.935   7.613
  298   2HD   LYS  33          2HD       LYS  33  18.709   1.386   8.622
  299   1HE   LYS  33          1HE       LYS  33  17.391   2.391  10.210
  300   2HE   LYS  33          2HE       LYS  33  16.102   2.756   9.063
  301   1HZ   LYS  33          1HZ       LYS  33  16.687  -0.048   9.717
  302   2HZ   LYS  33          2HZ       LYS  33  15.801   0.883  10.816
  303   3HZ   LYS  33          3HZ       LYS  33  15.226   0.661   9.241
  304    H    LEU  34           H        LEU  34  17.075   2.268   3.166
  305    HA   LEU  34           HA       LEU  34  19.744   1.190   3.308
  306   1HB   LEU  34          1HB       LEU  34  17.233   0.497   2.034
  307   2HB   LEU  34          2HB       LEU  34  18.578   0.334   0.922
  308    HG   LEU  34           HG       LEU  34  19.066  -0.857   3.558
  309   1HD1  LEU  34          1HD1      LEU  34  16.517  -1.227   2.632
  310   2HD1  LEU  34          2HD1      LEU  34  17.373  -2.612   1.955
  311   3HD1  LEU  34          3HD1      LEU  34  17.392  -2.329   3.696
  312   1HD2  LEU  34          1HD2      LEU  34  19.362  -1.716   0.689
  313   2HD2  LEU  34          2HD2      LEU  34  20.630  -1.229   1.814
  314   3HD2  LEU  34          3HD2      LEU  34  19.773  -2.750   2.059
  315    H    LYS  35           H        LYS  35  17.979   3.469   1.312
  316    HA   LYS  35           HA       LYS  35  19.999   3.670  -0.706
  317   1HB   LYS  35          1HB       LYS  35  17.356   4.684  -0.275
  318   2HB   LYS  35          2HB       LYS  35  18.421   6.028  -0.662
  319   1HG   LYS  35          1HG       LYS  35  18.787   3.703  -2.390
  320   2HG   LYS  35          2HG       LYS  35  17.177   4.421  -2.478
  321   1HD   LYS  35          1HD       LYS  35  19.756   5.960  -2.764
  322   2HD   LYS  35          2HD       LYS  35  18.786   5.373  -4.116
  323   1HE   LYS  35          1HE       LYS  35  16.934   6.692  -2.591
  324   2HE   LYS  35          2HE       LYS  35  18.378   7.679  -2.365
  325   1HZ   LYS  35          1HZ       LYS  35  18.251   7.087  -5.065
  326   2HZ   LYS  35          2HZ       LYS  35  16.677   7.512  -4.617
  327   3HZ   LYS  35          3HZ       LYS  35  17.955   8.581  -4.328
  328    H    GLN  36           H        GLN  36  19.244   5.355   2.276
  329    HA   GLN  36           HA       GLN  36  21.136   7.471   1.831
  330   1HB   GLN  36          1HB       GLN  36  19.153   7.813   3.238
  331   2HB   GLN  36          2HB       GLN  36  19.734   6.594   4.363
  332   1HG   GLN  36          1HG       GLN  36  21.790   8.516   4.008
  333   2HG   GLN  36          2HG       GLN  36  20.280   9.370   4.321
  334   2HE2  GLN  36          2HE2      GLN  36  22.375   6.801   5.522
  335   1HE2  GLN  36          1HE2      GLN  36  21.947   6.980   7.186
  336    H    SER  37           H        SER  37  21.138   4.347   3.402
  337    HA   SER  37           HA       SER  37  23.641   4.734   4.747
  338   1HB   SER  37          1HB       SER  37  23.473   2.395   5.348
  339   2HB   SER  37          2HB       SER  37  21.885   3.137   5.534
  340    HG   SER  37           HG       SER  37  22.027   1.035   4.388
  341    H    GLU  38           H        GLU  38  22.620   3.613   1.623
  342    HA   GLU  38           HA       GLU  38  25.067   2.291   0.949
  343   1HB   GLU  38          1HB       GLU  38  22.538   2.348  -0.125
  344   2HB   GLU  38          2HB       GLU  38  23.456   3.299  -1.284
  345   1HG   GLU  38          1HG       GLU  38  24.779   0.825  -0.477
  346   2HG   GLU  38          2HG       GLU  38  23.230   0.582  -1.283
  347    H    ASP  39           H        ASP  39  23.895   5.551   0.827
  348    HA   ASP  39           HA       ASP  39  25.748   6.536  -1.099
  349   1HB   ASP  39          1HB       ASP  39  23.536   7.601  -0.261
  350   2HB   ASP  39          2HB       ASP  39  24.517   8.229   1.059
  351    H    ASP  40           H        ASP  40  25.864   5.951   2.327
  352    HA   ASP  40           HA       ASP  40  28.484   7.274   2.490
  353   1HB   ASP  40          1HB       ASP  40  26.375   7.568   4.160
  354   2HB   ASP  40          2HB       ASP  40  27.220   6.247   4.960
  355    H    ASP  41           H        ASP  41  29.438   5.912   4.747
  356    HA   ASP  41           HA       ASP  41  29.492   3.083   4.133
  357   1HB   ASP  41          1HB       ASP  41  31.717   4.928   3.447
  358   2HB   ASP  41          2HB       ASP  41  32.159   3.393   4.190
  359    H1   ALA   1           H1       ALA   1  33.061  -8.376  -3.657
  360    H2   ALA   1           H2       ALA   1  32.435  -7.888  -5.180
  361    H3   ALA   1           H3       ALA   1  33.573  -6.900  -4.366
  362    HA   ALA   1           HA       ALA   1  32.106  -6.117  -2.909
  363   1HB   ALA   1          1HB       ALA   1  29.778  -6.417  -4.450
  364   2HB   ALA   1          2HB       ALA   1  30.909  -5.064  -4.451
  365   3HB   ALA   1          3HB       ALA   1  31.126  -6.396  -5.585
  366    H    LEU   2           H        LEU   2  31.789  -7.283  -1.076
  367    HA   LEU   2           HA       LEU   2  30.197  -9.681  -1.055
  368   1HB   LEU   2          1HB       LEU   2  32.194  -9.085   0.463
  369   2HB   LEU   2          2HB       LEU   2  31.039  -8.134   1.377
  370    HG   LEU   2           HG       LEU   2  30.037 -10.810   0.935
  371   1HD1  LEU   2          1HD1      LEU   2  32.645 -11.043   0.960
  372   2HD1  LEU   2          2HD1      LEU   2  32.439 -10.799   2.695
  373   3HD1  LEU   2          3HD1      LEU   2  31.633 -12.147   1.892
  374   1HD2  LEU   2          1HD2      LEU   2  29.346  -9.067   2.636
  375   2HD2  LEU   2          2HD2      LEU   2  29.570 -10.706   3.245
  376   3HD2  LEU   2          3HD2      LEU   2  30.813  -9.486   3.520
  377    H    LYS   3           H        LYS   3  29.679  -6.297  -0.525
  378    HA   LYS   3           HA       LYS   3  27.065  -6.767   0.694
  379   1HB   LYS   3          1HB       LYS   3  28.854  -4.395   0.386
  380   2HB   LYS   3          2HB       LYS   3  27.128  -4.126   0.588
  381   1HG   LYS   3          1HG       LYS   3  27.325  -5.646   2.640
  382   2HG   LYS   3          2HG       LYS   3  29.064  -5.388   2.492
  383   1HD   LYS   3          1HD       LYS   3  28.385  -2.866   2.385
  384   2HD   LYS   3          2HD       LYS   3  26.903  -3.436   3.155
  385   1HE   LYS   3          1HE       LYS   3  29.514  -4.314   4.277
  386   2HE   LYS   3          2HE       LYS   3  28.991  -2.657   4.573
  387   1HZ   LYS   3          1HZ       LYS   3  26.910  -3.546   5.480
  388   2HZ   LYS   3          2HZ       LYS   3  27.487  -5.122   5.263
  389   3HZ   LYS   3          3HZ       LYS   3  28.260  -4.082   6.349
  390    H    LYS   4           H        LYS   4  27.711  -7.407  -2.139
  391    HA   LYS   4           HA       LYS   4  26.435  -5.486  -3.805
  392   1HB   LYS   4          1HB       LYS   4  28.053  -7.553  -4.323
  393   2HB   LYS   4          2HB       LYS   4  26.511  -8.343  -4.624
  394   1HG   LYS   4          1HG       LYS   4  26.557  -5.781  -5.907
  395   2HG   LYS   4          2HG       LYS   4  27.979  -6.718  -6.368
  396   1HD   LYS   4          1HD       LYS   4  26.758  -8.056  -7.665
  397   2HD   LYS   4          2HD       LYS   4  25.611  -8.368  -6.360
  398   1HE   LYS   4          1HE       LYS   4  24.159  -7.293  -7.697
  399   2HE   LYS   4          2HE       LYS   4  24.925  -5.841  -7.054
  400   1HZ   LYS   4          1HZ       LYS   4  26.335  -6.939  -9.292
  401   2HZ   LYS   4          2HZ       LYS   4  24.743  -6.518  -9.681
  402   3HZ   LYS   4          3HZ       LYS   4  25.790  -5.359  -9.032
  403    H    HIS   5           H        HIS   5  25.358  -8.387  -2.123
  404    HA   HIS   5           HA       HIS   5  22.863  -8.727  -3.296
  405   1HB   HIS   5          1HB       HIS   5  22.241  -9.959  -1.319
  406   2HB   HIS   5          2HB       HIS   5  23.935 -10.290  -1.668
  407    HD1  HIS   5           HD1      HIS   5  22.057 -10.040   1.149
  408    HD2  HIS   5           HD2      HIS   5  25.405  -7.914  -0.091
  409    HE1  HIS   5           HE1      HIS   5  23.076  -9.105   3.249
  410    HE2  HIS   5           HE2      HIS   5  25.102  -7.821   2.476
  411    H    HIS   6           H        HIS   6  23.956  -6.351  -1.007
  412    HA   HIS   6           HA       HIS   6  21.512  -5.510   0.056
  413   1HB   HIS   6          1HB       HIS   6  24.229  -4.418  -0.169
  414   2HB   HIS   6          2HB       HIS   6  22.972  -3.188  -0.087
  415    HD1  HIS   6           HD1      HIS   6  22.509  -6.390   1.771
  416    HD2  HIS   6           HD2      HIS   6  23.741  -2.494   2.526
  417    HE1  HIS   6           HE1      HIS   6  22.557  -6.172   4.276
  418    HE2  HIS   6           HE2      HIS   6  23.305  -3.806   4.711
  419    H    GLU   7           H        GLU   7  23.216  -4.477  -2.879
  420    HA   GLU   7           HA       GLU   7  21.484  -2.422  -3.636
  421   1HB   GLU   7          1HB       GLU   7  23.772  -3.449  -4.660
  422   2HB   GLU   7          2HB       GLU   7  22.605  -4.071  -5.818
  423   1HG   GLU   7          1HG       GLU   7  22.714  -1.172  -5.056
  424   2HG   GLU   7          2HG       GLU   7  23.700  -1.849  -6.352
  425    H    ASN   8           H        ASN   8  21.137  -5.861  -3.803
  426    HA   ASN   8           HA       ASN   8  19.052  -5.912  -5.750
  427   1HB   ASN   8          1HB       ASN   8  19.706  -7.964  -3.621
  428   2HB   ASN   8          2HB       ASN   8  18.725  -8.232  -5.059
  429   2HD2  ASN   8          2HD2      ASN   8  19.828  -9.543  -6.325
  430   1HD2  ASN   8          1HD2      ASN   8  21.484  -9.356  -6.779
  431    H    GLU   9           H        GLU   9  19.006  -6.434  -2.220
  432    HA   GLU   9           HA       GLU   9  16.234  -6.398  -1.915
  433   1HB   GLU   9          1HB       GLU   9  18.515  -6.460  -0.217
  434   2HB   GLU   9          2HB       GLU   9  17.451  -5.190   0.374
  435   1HG   GLU   9          1HG       GLU   9  15.589  -6.919   0.249
  436   2HG   GLU   9          2HG       GLU   9  16.871  -8.114   0.057
  437    H    ILE  10           H        ILE  10  18.448  -3.848  -2.560
  438    HA   ILE  10           HA       ILE  10  16.908  -1.701  -1.521
  439    HB   ILE  10           HB       ILE  10  19.469  -2.022  -2.623
  440   1HG1  ILE  10          1HG1      ILE  10  18.686   0.742  -2.082
  441   2HG1  ILE  10          2HG1      ILE  10  18.185  -0.396  -0.834
  442   1HG2  ILE  10          1HG2      ILE  10  18.682  -1.469  -4.852
  443   2HG2  ILE  10          2HG2      ILE  10  17.959   0.021  -4.246
  444   3HG2  ILE  10          3HG2      ILE  10  19.710  -0.184  -4.218
  445   1HD1  ILE  10          1HD1      ILE  10  20.772  -1.146  -1.318
  446   2HD1  ILE  10          2HD1      ILE  10  20.832   0.607  -1.503
  447   3HD1  ILE  10          3HD1      ILE  10  20.229  -0.100  -0.004
  448    H    SER  11           H        SER  11  17.394  -2.934  -4.829
  449    HA   SER  11           HA       SER  11  15.551  -1.201  -6.062
  450   1HB   SER  11          1HB       SER  11  17.287  -3.289  -6.869
  451   2HB   SER  11          2HB       SER  11  15.680  -3.699  -7.468
  452    HG   SER  11           HG       SER  11  16.759  -1.112  -7.798
  453    H    HIS  12           H        HIS  12  15.124  -4.090  -4.215
  454    HA   HIS  12           HA       HIS  12  12.518  -4.692  -5.242
  455   1HB   HIS  12          1HB       HIS  12  13.122  -6.662  -4.358
  456   2HB   HIS  12          2HB       HIS  12  14.438  -5.920  -3.467
  457    HD1  HIS  12           HD1      HIS  12  10.716  -6.580  -3.076
  458    HD2  HIS  12           HD2      HIS  12  14.121  -5.965  -0.779
  459    HE1  HIS  12           HE1      HIS  12  10.001  -6.982  -0.698
  460    HE2  HIS  12           HE2      HIS  12  12.079  -6.607   0.678
  461    H    HIS  13           H        HIS  13  13.770  -3.099  -2.310
  462    HA   HIS  13           HA       HIS  13  11.233  -2.640  -1.146
  463   1HB   HIS  13          1HB       HIS  13  13.723  -0.964  -0.795
  464   2HB   HIS  13          2HB       HIS  13  12.343  -1.033   0.289
  465    HD1  HIS  13           HD1      HIS  13  12.219  -4.256   0.181
  466    HD2  HIS  13           HD2      HIS  13  15.485  -1.868   1.107
  467    HE1  HIS  13           HE1      HIS  13  13.733  -5.706   1.574
  468    HE2  HIS  13           HE2      HIS  13  15.711  -4.241   2.122
  469    H    ALA  14           H        ALA  14  13.014  -1.067  -3.666
  470    HA   ALA  14           HA       ALA  14  11.650   1.429  -3.598
  471   1HB   ALA  14          1HB       ALA  14  13.882   0.901  -4.719
  472   2HB   ALA  14          2HB       ALA  14  12.926   0.236  -6.044
  473   3HB   ALA  14          3HB       ALA  14  12.761   1.936  -5.606
  474    H    LYS  15           H        LYS  15  11.360  -1.397  -5.751
  475    HA   LYS  15           HA       LYS  15   9.021  -0.437  -7.045
  476   1HB   LYS  15          1HB       LYS  15  10.718  -2.782  -7.167
  477   2HB   LYS  15          2HB       LYS  15   9.020  -3.226  -7.274
  478   1HG   LYS  15          1HG       LYS  15   8.727  -2.186  -9.279
  479   2HG   LYS  15          2HG       LYS  15   9.976  -0.979  -8.961
  480   1HD   LYS  15          1HD       LYS  15  11.610  -2.981  -9.103
  481   2HD   LYS  15          2HD       LYS  15  10.274  -3.807  -9.909
  482   1HE   LYS  15          1HE       LYS  15  11.266  -2.905 -11.742
  483   2HE   LYS  15          2HE       LYS  15  10.240  -1.539 -11.302
  484   1HZ   LYS  15          1HZ       LYS  15  12.752  -1.487  -9.942
  485   2HZ   LYS  15          2HZ       LYS  15  12.949  -1.483 -11.621
  486   3HZ   LYS  15          3HZ       LYS  15  12.011  -0.289 -10.878
  487    H    GLU  16           H        GLU  16   9.551  -1.819  -3.978
  488    HA   GLU  16           HA       GLU  16   6.929  -3.000  -3.732
  489   1HB   GLU  16          1HB       GLU  16   9.334  -2.749  -1.984
  490   2HB   GLU  16          2HB       GLU  16   7.778  -3.038  -1.218
  491   1HG   GLU  16          1HG       GLU  16   9.085  -4.763  -3.310
  492   2HG   GLU  16          2HG       GLU  16   8.945  -5.121  -1.589
  493    H    ILE  17           H        ILE  17   8.559  -0.019  -2.784
  494    HA   ILE  17           HA       ILE  17   6.366   0.868  -1.136
  495    HB   ILE  17           HB       ILE  17   8.581   1.666  -0.610
  496   1HG1  ILE  17          1HG1      ILE  17   6.498   3.171  -0.377
  497   2HG1  ILE  17          2HG1      ILE  17   8.080   3.924  -0.226
  498   1HG2  ILE  17          1HG2      ILE  17   8.587   2.774  -3.408
  499   2HG2  ILE  17          2HG2      ILE  17   9.745   3.249  -2.166
  500   3HG2  ILE  17          3HG2      ILE  17   9.678   1.575  -2.714
  501   1HD1  ILE  17          1HD1      ILE  17   7.269   4.011  -2.958
  502   2HD1  ILE  17          2HD1      ILE  17   5.972   4.634  -1.939
  503   3HD1  ILE  17          3HD1      ILE  17   7.584   5.341  -1.844
  504    H    GLU  18           H        GLU  18   7.416   1.295  -4.452
  505    HA   GLU  18           HA       GLU  18   5.465   3.330  -5.034
  506   1HB   GLU  18          1HB       GLU  18   7.730   2.154  -6.356
  507   2HB   GLU  18          2HB       GLU  18   6.341   2.123  -7.434
  508   1HG   GLU  18          1HG       GLU  18   7.263   4.592  -5.990
  509   2HG   GLU  18          2HG       GLU  18   7.800   4.147  -7.610
  510    H    ARG  19           H        ARG  19   5.790  -0.152  -5.505
  511    HA   ARG  19           HA       ARG  19   3.370  -0.412  -7.011
  512   1HB   ARG  19          1HB       ARG  19   5.262  -2.028  -7.145
  513   2HB   ARG  19          2HB       ARG  19   4.899  -2.541  -5.503
  514   1HG   ARG  19          1HG       ARG  19   3.294  -3.906  -6.195
  515   2HG   ARG  19          2HG       ARG  19   2.553  -2.647  -7.185
  516   1HD   ARG  19          1HD       ARG  19   5.068  -3.925  -8.137
  517   2HD   ARG  19          2HD       ARG  19   3.561  -4.830  -8.266
  518    HE   ARG  19           HE       ARG  19   4.383  -2.661  -9.900
  519   1HH1  ARG  19          1HH1      ARG  19   1.578  -4.095  -8.417
  520   2HH1  ARG  19          2HH1      ARG  19   0.477  -3.486  -9.608
  521   1HH2  ARG  19          1HH2      ARG  19   2.942  -1.855 -11.475
  522   2HH2  ARG  19          2HH2      ARG  19   1.252  -2.214 -11.346
  523    H    LEU  20           H        LEU  20   4.221  -0.406  -3.642
  524    HA   LEU  20           HA       LEU  20   1.799  -1.607  -2.711
  525   1HB   LEU  20          1HB       LEU  20   4.077  -0.146  -1.443
  526   2HB   LEU  20          2HB       LEU  20   2.598  -0.365  -0.532
  527    HG   LEU  20           HG       LEU  20   4.001  -2.704  -1.788
  528   1HD1  LEU  20          1HD1      LEU  20   5.181  -1.066   0.110
  529   2HD1  LEU  20          2HD1      LEU  20   4.490  -2.391   1.047
  530   3HD1  LEU  20          3HD1      LEU  20   5.619  -2.733  -0.264
  531   1HD2  LEU  20          1HD2      LEU  20   1.814  -2.262   0.164
  532   2HD2  LEU  20          2HD2      LEU  20   1.994  -3.499  -1.080
  533   3HD2  LEU  20          3HD2      LEU  20   2.885  -3.638   0.436
  534    H    GLN  21           H        GLN  21   2.960   1.681  -3.218
  535    HA   GLN  21           HA       GLN  21   0.799   3.034  -2.026
  536   1HB   GLN  21          1HB       GLN  21   2.854   4.200  -2.546
  537   2HB   GLN  21          2HB       GLN  21   2.656   3.868  -4.261
  538   1HG   GLN  21          1HG       GLN  21   0.991   5.437  -4.513
  539   2HG   GLN  21          2HG       GLN  21   0.552   5.398  -2.806
  540   2HE2  GLN  21          2HE2      GLN  21   2.895   6.551  -5.134
  541   1HE2  GLN  21          1HE2      GLN  21   3.540   7.815  -4.148
  542    H    LYS  22           H        LYS  22   1.364   1.977  -5.371
  543    HA   LYS  22           HA       LYS  22  -1.002   3.065  -6.452
  544   1HB   LYS  22          1HB       LYS  22   1.181   1.802  -7.486
  545   2HB   LYS  22          2HB       LYS  22  -0.043   0.550  -7.651
  546   1HG   LYS  22          1HG       LYS  22  -1.262   2.895  -8.550
  547   2HG   LYS  22          2HG       LYS  22   0.373   2.922  -9.218
  548   1HD   LYS  22          1HD       LYS  22  -1.343   0.465  -9.377
  549   2HD   LYS  22          2HD       LYS  22  -1.472   1.755 -10.575
  550   1HE   LYS  22          1HE       LYS  22   1.181   0.542  -9.883
  551   2HE   LYS  22          2HE       LYS  22   0.108  -0.228 -11.051
  552   1HZ   LYS  22          1HZ       LYS  22   0.133   2.319 -11.903
  553   2HZ   LYS  22          2HZ       LYS  22   1.711   2.157 -11.315
  554   3HZ   LYS  22          3HZ       LYS  22   1.138   1.100 -12.505
  555    H    GLU  23           H        GLU  23  -0.293  -0.008  -4.895
  556    HA   GLU  23           HA       GLU  23  -2.712  -1.313  -5.513
  557   1HB   GLU  23          1HB       GLU  23  -0.368  -1.878  -4.026
  558   2HB   GLU  23          2HB       GLU  23  -1.733  -2.148  -2.951
  559   1HG   GLU  23          1HG       GLU  23  -1.732  -4.188  -3.867
  560   2HG   GLU  23          2HG       GLU  23  -2.617  -3.394  -5.169
  561    H    ILE  24           H        ILE  24  -1.780   0.816  -2.850
  562    HA   ILE  24           HA       ILE  24  -4.113   0.412  -1.308
  563    HB   ILE  24           HB       ILE  24  -3.356   2.012   0.135
  564   1HG1  ILE  24          1HG1      ILE  24  -1.808   3.956  -0.753
  565   2HG1  ILE  24          2HG1      ILE  24  -2.583   3.586  -2.291
  566   1HG2  ILE  24          1HG2      ILE  24  -1.437   0.422  -0.822
  567   2HG2  ILE  24          2HG2      ILE  24  -0.709   1.991  -1.159
  568   3HG2  ILE  24          3HG2      ILE  24  -1.177   1.573   0.486
  569   1HD1  ILE  24          1HD1      ILE  24  -4.611   3.744  -0.327
  570   2HD1  ILE  24          2HD1      ILE  24  -3.559   5.149  -0.140
  571   3HD1  ILE  24          3HD1      ILE  24  -4.317   4.816  -1.697
  572    H    GLU  25           H        GLU  25  -3.299   2.675  -3.878
  573    HA   GLU  25           HA       GLU  25  -5.539   4.339  -3.727
  574   1HB   GLU  25          1HB       GLU  25  -3.397   4.526  -5.184
  575   2HB   GLU  25          2HB       GLU  25  -4.296   3.565  -6.350
  576   1HG   GLU  25          1HG       GLU  25  -4.689   5.737  -7.033
  577   2HG   GLU  25          2HG       GLU  25  -6.129   5.345  -6.094
  578    H    ARG  26           H        ARG  26  -5.036   1.304  -5.491
  579    HA   ARG  26           HA       ARG  26  -7.460   1.211  -6.863
  580   1HB   ARG  26          1HB       ARG  26  -5.277  -0.499  -6.480
  581   2HB   ARG  26          2HB       ARG  26  -6.670  -1.411  -5.913
  582   1HG   ARG  26          1HG       ARG  26  -6.982  -0.019  -8.495
  583   2HG   ARG  26          2HG       ARG  26  -5.865  -1.384  -8.462
  584   1HD   ARG  26          1HD       ARG  26  -8.252  -2.069  -7.042
  585   2HD   ARG  26          2HD       ARG  26  -8.679  -1.441  -8.633
  586    HE   ARG  26           HE       ARG  26  -6.662  -3.217  -9.116
  587   1HH1  ARG  26          1HH1      ARG  26  -9.759  -3.376  -7.532
  588   2HH1  ARG  26          2HH1      ARG  26 -10.020  -5.043  -7.925
  589   1HH2  ARG  26          1HH2      ARG  26  -6.996  -5.411  -9.641
  590   2HH2  ARG  26          2HH2      ARG  26  -8.449  -6.200  -9.124
  591    H    HIS  27           H        HIS  27  -6.631  -0.108  -3.664
  592    HA   HIS  27           HA       HIS  27  -9.196  -1.107  -3.069
  593   1HB   HIS  27          1HB       HIS  27  -6.687  -0.645  -1.624
  594   2HB   HIS  27          2HB       HIS  27  -8.119  -0.480  -0.613
  595    HD1  HIS  27           HD1      HIS  27  -9.712  -2.627  -0.521
  596    HD2  HIS  27           HD2      HIS  27  -5.955  -3.222  -2.193
  597    HE1  HIS  27           HE1      HIS  27  -9.369  -5.118  -0.533
  598    HE2  HIS  27           HE2      HIS  27  -7.089  -5.456  -1.550
  599    H    LYS  28           H        LYS  28  -7.854   2.078  -2.989
  600    HA   LYS  28           HA       LYS  28  -9.824   3.192  -1.226
  601   1HB   LYS  28          1HB       LYS  28  -7.475   4.092  -1.618
  602   2HB   LYS  28          2HB       LYS  28  -8.072   4.710  -3.152
  603   1HG   LYS  28          1HG       LYS  28  -9.937   5.657  -1.402
  604   2HG   LYS  28          2HG       LYS  28  -8.459   5.718  -0.440
  605   1HD   LYS  28          1HD       LYS  28  -8.455   7.784  -1.487
  606   2HD   LYS  28          2HD       LYS  28  -7.432   6.820  -2.553
  607   1HE   LYS  28          1HE       LYS  28  -9.379   6.408  -4.005
  608   2HE   LYS  28          2HE       LYS  28 -10.357   7.433  -2.956
  609   1HZ   LYS  28          1HZ       LYS  28  -8.463   9.140  -3.465
  610   2HZ   LYS  28          2HZ       LYS  28  -8.244   8.185  -4.842
  611   3HZ   LYS  28          3HZ       LYS  28  -9.740   8.920  -4.552
  612    H    GLN  29           H        GLN  29  -9.541   2.596  -4.623
  613    HA   GLN  29           HA       GLN  29 -11.582   4.443  -5.429
  614   1HB   GLN  29          1HB       GLN  29  -9.637   3.373  -6.824
  615   2HB   GLN  29          2HB       GLN  29 -10.787   2.065  -7.068
  616   1HG   GLN  29          1HG       GLN  29 -11.551   3.223  -8.795
  617   2HG   GLN  29          2HG       GLN  29 -12.258   4.332  -7.620
  618   2HE2  GLN  29          2HE2      GLN  29 -11.834   6.365  -8.041
  619   1HE2  GLN  29          1HE2      GLN  29 -10.389   6.986  -8.755
  620    H    SER  30           H        SER  30 -11.433   1.028  -4.605
  621    HA   SER  30           HA       SER  30 -14.109   0.448  -5.423
  622   1HB   SER  30          1HB       SER  30 -12.641  -1.170  -3.363
  623   2HB   SER  30          2HB       SER  30 -13.733  -1.716  -4.636
  624    HG   SER  30           HG       SER  30 -11.644  -2.211  -5.243
  625    H    ILE  31           H        ILE  31 -12.554   1.263  -2.362
  626    HA   ILE  31           HA       ILE  31 -14.900   0.947  -0.773
  627    HB   ILE  31           HB       ILE  31 -12.700   0.808   0.243
  628   1HG1  ILE  31          1HG1      ILE  31 -13.035   2.555   2.089
  629   2HG1  ILE  31          2HG1      ILE  31 -14.454   3.073   1.182
  630   1HG2  ILE  31          1HG2      ILE  31 -11.634   2.505  -1.257
  631   2HG2  ILE  31          2HG2      ILE  31 -12.392   3.759  -0.279
  632   3HG2  ILE  31          3HG2      ILE  31 -11.213   2.667   0.446
  633   1HD1  ILE  31          1HD1      ILE  31 -14.932   0.438   1.329
  634   2HD1  ILE  31          2HD1      ILE  31 -14.016   0.673   2.816
  635   3HD1  ILE  31          3HD1      ILE  31 -15.485   1.604   2.529
  636    H    LYS  32           H        LYS  32 -13.574   3.539  -2.678
  637    HA   LYS  32           HA       LYS  32 -15.186   5.592  -1.466
  638   1HB   LYS  32          1HB       LYS  32 -12.989   6.070  -2.512
  639   2HB   LYS  32          2HB       LYS  32 -13.662   5.636  -4.077
  640   1HG   LYS  32          1HG       LYS  32 -14.240   7.756  -4.336
  641   2HG   LYS  32          2HG       LYS  32 -15.409   7.544  -3.030
  642   1HD   LYS  32          1HD       LYS  32 -12.530   8.174  -2.463
  643   2HD   LYS  32          2HD       LYS  32 -13.694   9.450  -2.830
  644   1HE   LYS  32          1HE       LYS  32 -14.704   7.581  -0.856
  645   2HE   LYS  32          2HE       LYS  32 -13.193   8.331  -0.344
  646   1HZ   LYS  32          1HZ       LYS  32 -14.190  10.504  -0.794
  647   2HZ   LYS  32          2HZ       LYS  32 -15.649   9.757  -1.215
  648   3HZ   LYS  32          3HZ       LYS  32 -15.067   9.645   0.369
  649    H    LYS  33           H        LYS  33 -15.373   3.531  -4.309
  650    HA   LYS  33           HA       LYS  33 -17.680   4.865  -5.386
  651   1HB   LYS  33          1HB       LYS  33 -16.065   3.677  -6.828
  652   2HB   LYS  33          2HB       LYS  33 -16.515   2.158  -6.066
  653   1HG   LYS  33          1HG       LYS  33 -18.924   2.846  -6.847
  654   2HG   LYS  33          2HG       LYS  33 -18.027   3.830  -8.005
  655   1HD   LYS  33          1HD       LYS  33 -17.333   0.943  -7.627
  656   2HD   LYS  33          2HD       LYS  33 -18.708   1.400  -8.635
  657   1HE   LYS  33          1HE       LYS  33 -17.387   2.408 -10.218
  658   2HE   LYS  33          2HE       LYS  33 -16.101   2.769  -9.069
  659   1HZ   LYS  33          1HZ       LYS  33 -16.682  -0.033  -9.730
  660   2HZ   LYS  33          2HZ       LYS  33 -15.796   0.901 -10.827
  661   3HZ   LYS  33          3HZ       LYS  33 -15.223   0.677  -9.251
  662    H    LEU  34           H        LEU  34 -17.075   2.269  -3.173
  663    HA   LEU  34           HA       LEU  34 -19.741   1.187  -3.313
  664   1HB   LEU  34          1HB       LEU  34 -17.228   0.498  -2.042
  665   2HB   LEU  34          2HB       LEU  34 -18.572   0.331  -0.929
  666    HG   LEU  34           HG       LEU  34 -19.057  -0.859  -3.568
  667   1HD1  LEU  34          1HD1      LEU  34 -16.513  -1.233  -2.625
  668   2HD1  LEU  34          2HD1      LEU  34 -17.377  -2.620  -1.963
  669   3HD1  LEU  34          3HD1      LEU  34 -17.381  -2.326  -3.702
  670   1HD2  LEU  34          1HD2      LEU  34 -19.367  -1.713  -0.700
  671   2HD2  LEU  34          2HD2      LEU  34 -20.630  -1.229  -1.831
  672   3HD2  LEU  34          3HD2      LEU  34 -19.769  -2.749  -2.068
  673    H    LYS  35           H        LYS  35 -17.982   3.473  -1.325
  674    HA   LYS  35           HA       LYS  35 -20.000   3.669   0.698
  675   1HB   LYS  35          1HB       LYS  35 -17.357   4.680   0.269
  676   2HB   LYS  35          2HB       LYS  35 -18.421   6.025   0.656
  677   1HG   LYS  35          1HG       LYS  35 -18.789   3.698   2.381
  678   2HG   LYS  35          2HG       LYS  35 -17.180   4.417   2.471
  679   1HD   LYS  35          1HD       LYS  35 -19.759   5.954   2.757
  680   2HD   LYS  35          2HD       LYS  35 -18.792   5.364   4.110
  681   1HE   LYS  35          1HE       LYS  35 -16.937   6.688   2.591
  682   2HE   LYS  35          2HE       LYS  35 -18.381   7.675   2.365
  683   1HZ   LYS  35          1HZ       LYS  35 -18.257   7.076   5.062
  684   2HZ   LYS  35          2HZ       LYS  35 -16.682   7.502   4.619
  685   3HZ   LYS  35          3HZ       LYS  35 -17.961   8.572   4.331
  686    H    GLN  36           H        GLN  36 -19.245   5.359  -2.281
  687    HA   GLN  36           HA       GLN  36 -21.137   7.474  -1.833
  688   1HB   GLN  36          1HB       GLN  36 -19.153   7.820  -3.237
  689   2HB   GLN  36          2HB       GLN  36 -19.732   6.602  -4.366
  690   1HG   GLN  36          1HG       GLN  36 -21.789   8.523  -4.008
  691   2HG   GLN  36          2HG       GLN  36 -20.278   9.378  -4.321
  692   2HE2  GLN  36          2HE2      GLN  36 -22.374   6.811  -5.525
  693   1HE2  GLN  36          1HE2      GLN  36 -21.945   6.992  -7.189
  694    H    SER  37           H        SER  37 -21.139   4.353  -3.407
  695    HA   SER  37           HA       SER  37 -23.642   4.744  -4.753
  696   1HB   SER  37          1HB       SER  37 -23.476   2.405  -5.359
  697   2HB   SER  37          2HB       SER  37 -21.887   3.147  -5.543
  698    HG   SER  37           HG       SER  37 -22.027   1.043  -4.402
  699    H    GLU  38           H        GLU  38 -22.621   3.617  -1.631
  700    HA   GLU  38           HA       GLU  38 -25.069   2.296  -0.959
  701   1HB   GLU  38          1HB       GLU  38 -22.540   2.353   0.117
  702   2HB   GLU  38          2HB       GLU  38 -23.460   3.301   1.277
  703   1HG   GLU  38          1HG       GLU  38 -24.779   0.826   0.463
  704   2HG   GLU  38          2HG       GLU  38 -23.231   0.585   1.272
  705    H    ASP  39           H        ASP  39 -23.897   5.554  -0.831
  706    HA   ASP  39           HA       ASP  39 -25.752   6.536   1.093
  707   1HB   ASP  39          1HB       ASP  39 -23.539   7.603   0.258
  708   2HB   ASP  39          2HB       ASP  39 -24.520   8.235  -1.061
  709    H    ASP  40           H        ASP  40 -25.867   5.955  -2.333
  710    HA   ASP  40           HA       ASP  40 -28.486   7.279  -2.497
  711   1HB   ASP  40          1HB       ASP  40 -26.375   7.575  -4.165
  712   2HB   ASP  40          2HB       ASP  40 -27.220   6.255  -4.968
  713    H    ASP  41           H        ASP  41 -29.437   5.919  -4.757
  714    HA   ASP  41           HA       ASP  41 -29.492   3.090  -4.148
  715   1HB   ASP  41          1HB       ASP  41 -31.719   4.932  -3.461
  716   2HB   ASP  41          2HB       ASP  41 -32.160   3.399  -4.207

  No H/Q in entry =         716
  Start of MODEL    7
    1    H1   ALA   1           H1       ALA   1 -25.287 -15.529   0.066
    2    H2   ALA   1           H2       ALA   1 -24.542 -16.100   1.504
    3    H3   ALA   1           H3       ALA   1 -25.048 -17.211   0.297
    4    HA   ALA   1           HA       ALA   1 -27.155 -17.146   0.887
    5   1HB   ALA   1          1HB       ALA   1 -26.713 -16.051   3.518
    6   2HB   ALA   1          2HB       ALA   1 -27.055 -17.711   3.034
    7   3HB   ALA   1          3HB       ALA   1 -25.393 -17.120   3.044
    8    H    LEU   2           H        LEU   2 -26.114 -14.303   2.755
    9    HA   LEU   2           HA       LEU   2 -28.423 -12.851   1.654
   10   1HB   LEU   2          1HB       LEU   2 -26.864 -12.348   4.190
   11   2HB   LEU   2          2HB       LEU   2 -28.239 -11.409   3.641
   12    HG   LEU   2           HG       LEU   2 -28.786 -14.281   3.880
   13   1HD1  LEU   2          1HD1      LEU   2 -27.212 -13.950   5.760
   14   2HD1  LEU   2          2HD1      LEU   2 -28.266 -12.678   6.378
   15   3HD1  LEU   2          3HD1      LEU   2 -28.851 -14.339   6.284
   16   1HD2  LEU   2          1HD2      LEU   2 -30.108 -11.735   4.796
   17   2HD2  LEU   2          2HD2      LEU   2 -30.574 -12.772   3.448
   18   3HD2  LEU   2          3HD2      LEU   2 -30.762 -13.344   5.105
   19    H    LYS   3           H        LYS   3 -28.015 -10.358   1.758
   20    HA   LYS   3           HA       LYS   3 -25.591  -9.882   0.190
   21   1HB   LYS   3          1HB       LYS   3 -28.277  -8.652   0.341
   22   2HB   LYS   3          2HB       LYS   3 -26.946  -7.544   0.043
   23   1HG   LYS   3          1HG       LYS   3 -27.999  -8.347  -2.024
   24   2HG   LYS   3          2HG       LYS   3 -26.292  -8.785  -1.918
   25   1HD   LYS   3          1HD       LYS   3 -27.252 -10.990  -0.863
   26   2HD   LYS   3          2HD       LYS   3 -28.716 -10.513  -1.726
   27   1HE   LYS   3          1HE       LYS   3 -27.849 -11.454  -3.544
   28   2HE   LYS   3          2HE       LYS   3 -26.651 -10.161  -3.562
   29   1HZ   LYS   3          1HZ       LYS   3 -25.830 -12.075  -1.702
   30   2HZ   LYS   3          2HZ       LYS   3 -26.249 -12.898  -3.118
   31   3HZ   LYS   3          3HZ       LYS   3 -25.094 -11.663  -3.168
   32    H    LYS   4           H        LYS   4 -25.680 -10.125   3.171
   33    HA   LYS   4           HA       LYS   4 -25.093  -7.449   4.114
   34   1HB   LYS   4          1HB       LYS   4 -24.759  -8.500   6.287
   35   2HB   LYS   4          2HB       LYS   4 -26.271  -9.041   5.571
   36   1HG   LYS   4          1HG       LYS   4 -25.474 -11.034   6.305
   37   2HG   LYS   4          2HG       LYS   4 -24.739 -11.011   4.701
   38   1HD   LYS   4          1HD       LYS   4 -22.848  -9.708   6.114
   39   2HD   LYS   4          2HD       LYS   4 -23.495 -10.770   7.365
   40   1HE   LYS   4          1HE       LYS   4 -23.227 -12.653   5.668
   41   2HE   LYS   4          2HE       LYS   4 -22.251 -11.519   4.734
   42   1HZ   LYS   4          1HZ       LYS   4 -20.992 -11.247   6.964
   43   2HZ   LYS   4          2HZ       LYS   4 -21.679 -12.744   7.345
   44   3HZ   LYS   4          3HZ       LYS   4 -20.678 -12.595   5.991
   45    H    HIS   5           H        HIS   5 -23.374 -10.302   3.086
   46    HA   HIS   5           HA       HIS   5 -20.863  -9.842   4.181
   47   1HB   HIS   5          1HB       HIS   5 -20.001 -11.109   2.178
   48   2HB   HIS   5          2HB       HIS   5 -21.287 -11.915   3.070
   49    HD1  HIS   5           HD1      HIS   5 -22.767 -13.070   1.473
   50    HD2  HIS   5           HD2      HIS   5 -21.469  -9.410  -0.007
   51    HE1  HIS   5           HE1      HIS   5 -23.888 -12.813  -0.763
   52    HE2  HIS   5           HE2      HIS   5 -23.090 -10.590  -1.641
   53    H    HIS   6           H        HIS   6 -22.516  -8.158   1.659
   54    HA   HIS   6           HA       HIS   6 -20.288  -7.039   0.331
   55   1HB   HIS   6          1HB       HIS   6 -23.106  -6.883   0.128
   56   2HB   HIS   6          2HB       HIS   6 -22.523  -5.232   0.311
   57    HD1  HIS   6           HD1      HIS   6 -20.674  -7.941  -1.558
   58    HD2  HIS   6           HD2      HIS   6 -22.809  -4.456  -2.312
   59    HE1  HIS   6           HE1      HIS   6 -20.332  -7.459  -4.002
   60    HE2  HIS   6           HE2      HIS   6 -21.633  -5.345  -4.438
   61    H    GLU   7           H        GLU   7 -22.470  -5.572   2.750
   62    HA   GLU   7           HA       GLU   7 -21.113  -3.195   3.115
   63   1HB   GLU   7          1HB       GLU   7 -22.390  -4.665   5.409
   64   2HB   GLU   7          2HB       GLU   7 -22.316  -2.930   5.127
   65   1HG   GLU   7          1HG       GLU   7 -23.744  -3.411   3.051
   66   2HG   GLU   7          2HG       GLU   7 -24.052  -4.976   3.803
   67    H    ASN   8           H        ASN   8 -20.273  -6.380   4.168
   68    HA   ASN   8           HA       ASN   8 -18.445  -5.615   6.218
   69   1HB   ASN   8          1HB       ASN   8 -18.900  -8.156   4.667
   70   2HB   ASN   8          2HB       ASN   8 -17.550  -8.003   5.790
   71   2HD2  ASN   8          2HD2      ASN   8 -18.202  -9.396   7.329
   72   1HD2  ASN   8          1HD2      ASN   8 -19.637  -9.207   8.271
   73    H    GLU   9           H        GLU   9 -17.910  -6.890   2.926
   74    HA   GLU   9           HA       GLU   9 -15.156  -6.450   2.847
   75   1HB   GLU   9          1HB       GLU   9 -17.052  -7.452   1.106
   76   2HB   GLU   9          2HB       GLU   9 -16.499  -5.999   0.286
   77   1HG   GLU   9          1HG       GLU   9 -15.108  -7.667  -0.526
   78   2HG   GLU   9          2HG       GLU   9 -14.137  -6.874   0.714
   79    H    ILE  10           H        ILE  10 -17.782  -4.236   2.688
   80    HA   ILE  10           HA       ILE  10 -16.467  -2.136   1.308
   81    HB   ILE  10           HB       ILE  10 -19.059  -2.644   2.251
   82   1HG1  ILE  10          1HG1      ILE  10 -18.697   0.026   1.150
   83   2HG1  ILE  10          2HG1      ILE  10 -17.812  -1.207   0.255
   84   1HG2  ILE  10          1HG2      ILE  10 -18.040  -0.097   3.495
   85   2HG2  ILE  10          2HG2      ILE  10 -19.740  -0.534   3.324
   86   3HG2  ILE  10          3HG2      ILE  10 -18.677  -1.507   4.340
   87   1HD1  ILE  10          1HD1      ILE  10 -20.334  -2.300   0.725
   88   2HD1  ILE  10          2HD1      ILE  10 -20.618  -0.621   0.266
   89   3HD1  ILE  10          3HD1      ILE  10 -19.696  -1.682  -0.798
   90    H    SER  11           H        SER  11 -17.163  -2.652   4.769
   91    HA   SER  11           HA       SER  11 -15.691  -0.420   5.674
   92   1HB   SER  11          1HB       SER  11 -17.285  -2.441   6.835
   93   2HB   SER  11          2HB       SER  11 -15.719  -2.521   7.643
   94    HG   SER  11           HG       SER  11 -17.612  -0.471   7.609
   95    H    HIS  12           H        HIS  12 -14.760  -3.611   4.710
   96    HA   HIS  12           HA       HIS  12 -12.230  -3.589   6.045
   97   1HB   HIS  12          1HB       HIS  12 -12.639  -5.776   5.675
   98   2HB   HIS  12          2HB       HIS  12 -13.776  -5.431   4.382
   99    HD1  HIS  12           HD1      HIS  12 -10.183  -6.274   5.012
  100    HD2  HIS  12           HD2      HIS  12 -12.733  -5.591   1.808
  101    HE1  HIS  12           HE1      HIS  12  -8.918  -7.039   2.976
  102    HE2  HIS  12           HE2      HIS  12 -10.481  -6.616   1.043
  103    H    HIS  13           H        HIS  13 -13.403  -2.728   2.824
  104    HA   HIS  13           HA       HIS  13 -10.845  -2.353   1.660
  105   1HB   HIS  13          1HB       HIS  13 -13.421  -0.951   0.915
  106   2HB   HIS  13          2HB       HIS  13 -11.983  -1.106  -0.084
  107    HD1  HIS  13           HD1      HIS  13 -11.604  -4.221   0.555
  108    HD2  HIS  13           HD2      HIS  13 -15.039  -2.340  -0.821
  109    HE1  HIS  13           HE1      HIS  13 -12.923  -6.012  -0.621
  110    HE2  HIS  13           HE2      HIS  13 -15.005  -4.853  -1.441
  111    H    ALA  14           H        ALA  14 -12.950  -0.374   3.623
  112    HA   ALA  14           HA       ALA  14 -11.691   2.117   3.188
  113   1HB   ALA  14          1HB       ALA  14 -12.821   1.669   5.864
  114   2HB   ALA  14          2HB       ALA  14 -13.915   1.319   4.525
  115   3HB   ALA  14          3HB       ALA  14 -13.183   2.918   4.672
  116    H    LYS  15           H        LYS  15 -11.392  -0.168   5.911
  117    HA   LYS  15           HA       LYS  15  -9.213   1.137   7.124
  118   1HB   LYS  15          1HB       LYS  15 -10.490  -1.538   7.348
  119   2HB   LYS  15          2HB       LYS  15  -8.859  -1.376   7.982
  120   1HG   LYS  15          1HG       LYS  15 -11.292   0.185   8.808
  121   2HG   LYS  15          2HG       LYS  15 -10.408  -1.008   9.760
  122   1HD   LYS  15          1HD       LYS  15  -8.408   0.692   9.198
  123   2HD   LYS  15          2HD       LYS  15  -9.766   1.819   9.178
  124   1HE   LYS  15          1HE       LYS  15  -9.223   1.907  11.395
  125   2HE   LYS  15          2HE       LYS  15 -10.378   0.575  11.424
  126   1HZ   LYS  15          1HZ       LYS  15  -8.036  -0.671  10.914
  127   2HZ   LYS  15          2HZ       LYS  15  -7.553   0.564  11.964
  128   3HZ   LYS  15          3HZ       LYS  15  -8.750  -0.533  12.441
  129    H    GLU  16           H        GLU  16  -9.427  -0.784   4.303
  130    HA   GLU  16           HA       GLU  16  -6.708  -1.719   4.340
  131   1HB   GLU  16          1HB       GLU  16  -8.607  -2.917   3.203
  132   2HB   GLU  16          2HB       GLU  16  -8.617  -1.633   2.001
  133   1HG   GLU  16          1HG       GLU  16  -6.635  -2.300   1.067
  134   2HG   GLU  16          2HG       GLU  16  -6.070  -3.069   2.550
  135    H    ILE  17           H        ILE  17  -8.488   0.981   2.934
  136    HA   ILE  17           HA       ILE  17  -6.343   1.830   1.245
  137    HB   ILE  17           HB       ILE  17  -7.657   3.657   0.647
  138   1HG1  ILE  17          1HG1      ILE  17  -9.813   4.034   2.269
  139   2HG1  ILE  17          2HG1      ILE  17  -8.596   3.568   3.450
  140   1HG2  ILE  17          1HG2      ILE  17  -8.809   1.143   0.781
  141   2HG2  ILE  17          2HG2      ILE  17 -10.073   2.235   1.347
  142   3HG2  ILE  17          3HG2      ILE  17  -9.327   2.491  -0.228
  143   1HD1  ILE  17          1HD1      ILE  17  -7.468   5.478   1.665
  144   2HD1  ILE  17          2HD1      ILE  17  -9.007   6.085   2.277
  145   3HD1  ILE  17          3HD1      ILE  17  -7.741   5.600   3.404
  146    H    GLU  18           H        GLU  18  -7.357   2.536   4.529
  147    HA   GLU  18           HA       GLU  18  -5.530   4.719   4.885
  148   1HB   GLU  18          1HB       GLU  18  -7.731   4.026   6.211
  149   2HB   GLU  18          2HB       GLU  18  -6.567   3.172   7.215
  150   1HG   GLU  18          1HG       GLU  18  -6.385   5.087   8.328
  151   2HG   GLU  18          2HG       GLU  18  -5.414   5.637   6.963
  152    H    ARG  19           H        ARG  19  -5.567   1.290   5.775
  153    HA   ARG  19           HA       ARG  19  -3.048   1.352   7.096
  154   1HB   ARG  19          1HB       ARG  19  -4.945  -0.398   7.291
  155   2HB   ARG  19          2HB       ARG  19  -4.239  -1.111   5.847
  156   1HG   ARG  19          1HG       ARG  19  -3.059  -2.306   7.334
  157   2HG   ARG  19          2HG       ARG  19  -2.039  -0.867   7.380
  158   1HD   ARG  19          1HD       ARG  19  -4.395  -1.168   9.211
  159   2HD   ARG  19          2HD       ARG  19  -2.833  -1.881   9.609
  160    HE   ARG  19           HE       ARG  19  -3.554   0.851   9.833
  161   1HH1  ARG  19          1HH1      ARG  19  -0.894  -1.239   9.008
  162   2HH1  ARG  19          2HH1      ARG  19   0.320  -0.091   9.465
  163   1HH2  ARG  19          1HH2      ARG  19  -1.964   2.371  10.439
  164   2HH2  ARG  19          2HH2      ARG  19  -0.288   1.961  10.279
  165    H    LEU  20           H        LEU  20  -4.046   1.108   3.796
  166    HA   LEU  20           HA       LEU  20  -1.664  -0.081   2.784
  167   1HB   LEU  20          1HB       LEU  20  -4.110   1.122   1.684
  168   2HB   LEU  20          2HB       LEU  20  -2.689   1.350   0.687
  169    HG   LEU  20           HG       LEU  20  -4.149  -0.683   0.195
  170   1HD1  LEU  20          1HD1      LEU  20  -1.766  -0.268  -0.556
  171   2HD1  LEU  20          2HD1      LEU  20  -1.270  -1.329   0.763
  172   3HD1  LEU  20          3HD1      LEU  20  -2.300  -1.948  -0.528
  173   1HD2  LEU  20          1HD2      LEU  20  -3.667  -1.166   2.922
  174   2HD2  LEU  20          2HD2      LEU  20  -4.509  -2.202   1.770
  175   3HD2  LEU  20          3HD2      LEU  20  -2.776  -2.398   2.029
  176    H    GLN  21           H        GLN  21  -2.847   3.242   3.131
  177    HA   GLN  21           HA       GLN  21  -0.706   4.542   1.869
  178   1HB   GLN  21          1HB       GLN  21  -3.037   5.357   3.003
  179   2HB   GLN  21          2HB       GLN  21  -1.883   5.903   4.211
  180   1HG   GLN  21          1HG       GLN  21  -0.914   6.607   1.626
  181   2HG   GLN  21          2HG       GLN  21  -2.587   7.137   1.780
  182   2HE2  GLN  21          2HE2      GLN  21  -3.122   8.416   3.693
  183   1HE2  GLN  21          1HE2      GLN  21  -1.930   9.488   4.336
  184    H    LYS  22           H        LYS  22  -1.229   3.798   5.313
  185    HA   LYS  22           HA       LYS  22   1.234   4.833   6.214
  186   1HB   LYS  22          1HB       LYS  22  -0.953   3.234   7.319
  187   2HB   LYS  22          2HB       LYS  22   0.614   2.825   8.003
  188   1HG   LYS  22          1HG       LYS  22  -0.372   4.483   9.386
  189   2HG   LYS  22          2HG       LYS  22   0.948   5.247   8.499
  190   1HD   LYS  22          1HD       LYS  22  -1.659   5.375   7.158
  191   2HD   LYS  22          2HD       LYS  22  -1.581   6.243   8.693
  192   1HE   LYS  22          1HE       LYS  22   0.762   6.692   7.028
  193   2HE   LYS  22          2HE       LYS  22  -0.736   7.183   6.237
  194   1HZ   LYS  22          1HZ       LYS  22  -0.060   8.013   8.997
  195   2HZ   LYS  22          2HZ       LYS  22   0.412   8.910   7.644
  196   3HZ   LYS  22          3HZ       LYS  22  -1.231   8.668   7.967
  197    H    GLU  23           H        GLU  23   0.362   1.854   4.687
  198    HA   GLU  23           HA       GLU  23   2.676   0.378   5.491
  199   1HB   GLU  23          1HB       GLU  23   0.688  -0.826   4.856
  200   2HB   GLU  23          2HB       GLU  23   0.668  -0.055   3.276
  201   1HG   GLU  23          1HG       GLU  23   1.489  -2.422   3.326
  202   2HG   GLU  23          2HG       GLU  23   2.566  -1.257   2.557
  203    H    ILE  24           H        ILE  24   1.869   2.514   2.841
  204    HA   ILE  24           HA       ILE  24   4.081   1.800   1.196
  205    HB   ILE  24           HB       ILE  24   3.361   3.346  -0.312
  206   1HG1  ILE  24          1HG1      ILE  24   2.125   5.512   0.434
  207   2HG1  ILE  24          2HG1      ILE  24   2.810   5.166   2.018
  208   1HG2  ILE  24          1HG2      ILE  24   1.391   1.983   0.625
  209   2HG2  ILE  24          2HG2      ILE  24   0.851   3.519   1.299
  210   3HG2  ILE  24          3HG2      ILE  24   1.052   3.344  -0.441
  211   1HD1  ILE  24          1HD1      ILE  24   4.876   4.937   0.084
  212   2HD1  ILE  24          2HD1      ILE  24   4.021   6.458  -0.177
  213   3HD1  ILE  24          3HD1      ILE  24   4.715   6.097   1.403
  214    H    GLU  25           H        GLU  25   3.511   4.316   3.609
  215    HA   GLU  25           HA       GLU  25   5.962   5.671   3.305
  216   1HB   GLU  25          1HB       GLU  25   3.914   6.479   4.557
  217   2HB   GLU  25          2HB       GLU  25   4.390   5.412   5.870
  218   1HG   GLU  25          1HG       GLU  25   5.582   7.095   6.669
  219   2HG   GLU  25          2HG       GLU  25   6.683   6.858   5.312
  220    H    ARG  26           H        ARG  26   4.970   3.000   5.407
  221    HA   ARG  26           HA       ARG  26   7.328   2.761   6.889
  222   1HB   ARG  26          1HB       ARG  26   4.988   1.075   6.311
  223   2HB   ARG  26          2HB       ARG  26   6.450   0.172   6.690
  224   1HG   ARG  26          1HG       ARG  26   6.670   1.450   8.781
  225   2HG   ARG  26          2HG       ARG  26   5.160   2.284   8.406
  226   1HD   ARG  26          1HD       ARG  26   3.917   0.557   9.089
  227   2HD   ARG  26          2HD       ARG  26   4.926  -0.612   8.238
  228    HE   ARG  26           HE       ARG  26   6.434   0.075  10.380
  229   1HH1  ARG  26          1HH1      ARG  26   3.157  -1.044  10.007
  230   2HH1  ARG  26          2HH1      ARG  26   3.120  -1.850  11.540
  231   1HH2  ARG  26          1HH2      ARG  26   6.396  -0.982  12.402
  232   2HH2  ARG  26          2HH2      ARG  26   4.962  -1.814  12.902
  233    H    HIS  27           H        HIS  27   6.424   1.511   3.727
  234    HA   HIS  27           HA       HIS  27   8.699  -0.157   3.389
  235   1HB   HIS  27          1HB       HIS  27   6.409   0.691   1.802
  236   2HB   HIS  27          2HB       HIS  27   7.879   0.602   0.837
  237    HD1  HIS  27           HD1      HIS  27   9.247  -1.830   1.420
  238    HD2  HIS  27           HD2      HIS  27   5.111  -1.667   1.791
  239    HE1  HIS  27           HE1      HIS  27   8.467  -4.218   1.305
  240    HE2  HIS  27           HE2      HIS  27   5.961  -4.096   1.531
  241    H    LYS  28           H        LYS  28   8.061   3.226   2.925
  242    HA   LYS  28           HA       LYS  28  10.321   3.780   1.272
  243   1HB   LYS  28          1HB       LYS  28   8.287   5.226   1.426
  244   2HB   LYS  28          2HB       LYS  28   8.790   5.688   3.046
  245   1HG   LYS  28          1HG       LYS  28  11.014   6.352   1.817
  246   2HG   LYS  28          2HG       LYS  28   9.949   6.436   0.412
  247   1HD   LYS  28          1HD       LYS  28   9.514   8.525   1.094
  248   2HD   LYS  28          2HD       LYS  28   8.503   7.762   2.323
  249   1HE   LYS  28          1HE       LYS  28  10.009   8.136   3.992
  250   2HE   LYS  28          2HE       LYS  28  11.397   8.033   2.909
  251   1HZ   LYS  28          1HZ       LYS  28  10.486  10.234   1.977
  252   2HZ   LYS  28          2HZ       LYS  28   9.627  10.330   3.432
  253   3HZ   LYS  28          3HZ       LYS  28  11.317  10.261   3.449
  254    H    GLN  29           H        GLN  29   9.775   3.520   4.696
  255    HA   GLN  29           HA       GLN  29  12.210   4.840   5.459
  256   1HB   GLN  29          1HB       GLN  29   9.984   4.426   6.817
  257   2HB   GLN  29          2HB       GLN  29  10.792   2.930   7.269
  258   1HG   GLN  29          1HG       GLN  29  11.747   4.077   8.905
  259   2HG   GLN  29          2HG       GLN  29  12.724   4.861   7.664
  260   2HE2  GLN  29          2HE2      GLN  29  12.089   6.908   6.890
  261   1HE2  GLN  29          1HE2      GLN  29  11.060   7.936   7.821
  262    H    SER  30           H        SER  30  11.174   1.529   4.897
  263    HA   SER  30           HA       SER  30  13.575   0.344   5.915
  264   1HB   SER  30          1HB       SER  30  11.110  -0.609   4.571
  265   2HB   SER  30          2HB       SER  30  12.548  -1.609   4.358
  266    HG   SER  30           HG       SER  30  12.707  -1.800   6.584
  267    H    ILE  31           H        ILE  31  12.452   1.447   2.789
  268    HA   ILE  31           HA       ILE  31  14.590   0.236   1.307
  269    HB   ILE  31           HB       ILE  31  12.430   0.744   0.257
  270   1HG1  ILE  31          1HG1      ILE  31  14.983   1.089  -0.803
  271   2HG1  ILE  31          2HG1      ILE  31  13.504   0.828  -1.708
  272   1HG2  ILE  31          1HG2      ILE  31  12.001   2.832   1.506
  273   2HG2  ILE  31          2HG2      ILE  31  13.199   3.647   0.502
  274   3HG2  ILE  31          3HG2      ILE  31  11.734   2.992  -0.228
  275   1HD1  ILE  31          1HD1      ILE  31  13.264   3.377  -1.689
  276   2HD1  ILE  31          2HD1      ILE  31  14.952   3.395  -1.181
  277   3HD1  ILE  31          3HD1      ILE  31  14.503   2.666  -2.722
  278    H    LYS  32           H        LYS  32  14.021   3.309   2.873
  279    HA   LYS  32           HA       LYS  32  16.262   4.632   1.659
  280   1HB   LYS  32          1HB       LYS  32  14.128   5.685   2.693
  281   2HB   LYS  32          2HB       LYS  32  14.965   5.497   4.228
  282   1HG   LYS  32          1HG       LYS  32  16.878   6.701   2.724
  283   2HG   LYS  32          2HG       LYS  32  15.407   7.413   2.060
  284   1HD   LYS  32          1HD       LYS  32  16.201   8.793   3.868
  285   2HD   LYS  32          2HD       LYS  32  14.707   7.997   4.367
  286   1HE   LYS  32          1HE       LYS  32  16.571   6.199   5.187
  287   2HE   LYS  32          2HE       LYS  32  17.441   7.718   5.404
  288   1HZ   LYS  32          1HZ       LYS  32  14.713   7.263   6.468
  289   2HZ   LYS  32          2HZ       LYS  32  16.111   6.938   7.361
  290   3HZ   LYS  32          3HZ       LYS  32  15.780   8.517   6.853
  291    H    LYS  33           H        LYS  33  15.649   2.882   4.647
  292    HA   LYS  33           HA       LYS  33  18.175   3.533   5.832
  293   1HB   LYS  33          1HB       LYS  33  15.784   2.361   6.700
  294   2HB   LYS  33          2HB       LYS  33  16.991   1.092   6.848
  295   1HG   LYS  33          1HG       LYS  33  18.396   2.955   8.013
  296   2HG   LYS  33          2HG       LYS  33  16.821   3.717   8.246
  297   1HD   LYS  33          1HD       LYS  33  17.442   0.880   9.049
  298   2HD   LYS  33          2HD       LYS  33  17.587   2.259  10.141
  299   1HE   LYS  33          1HE       LYS  33  15.390   2.299  10.512
  300   2HE   LYS  33          2HE       LYS  33  15.032   2.239   8.786
  301   1HZ   LYS  33          1HZ       LYS  33  15.922  -0.287   9.526
  302   2HZ   LYS  33          2HZ       LYS  33  14.803   0.189  10.703
  303   3HZ   LYS  33          3HZ       LYS  33  14.357   0.165   9.070
  304    H    LEU  34           H        LEU  34  16.925   0.951   3.823
  305    HA   LEU  34           HA       LEU  34  19.173  -0.781   4.163
  306   1HB   LEU  34          1HB       LEU  34  16.680  -0.769   2.650
  307   2HB   LEU  34          2HB       LEU  34  18.012  -1.463   1.747
  308    HG   LEU  34           HG       LEU  34  17.205  -2.369   4.509
  309   1HD1  LEU  34          1HD1      LEU  34  15.477  -2.724   2.693
  310   2HD1  LEU  34          2HD1      LEU  34  16.648  -3.795   1.924
  311   3HD1  LEU  34          3HD1      LEU  34  16.038  -4.169   3.536
  312   1HD2  LEU  34          1HD2      LEU  34  19.577  -2.737   3.740
  313   2HD2  LEU  34          2HD2      LEU  34  18.676  -4.193   4.162
  314   3HD2  LEU  34          3HD2      LEU  34  18.919  -3.766   2.467
  315    H    LYS  35           H        LYS  35  18.312   1.800   1.964
  316    HA   LYS  35           HA       LYS  35  20.363   1.282   0.054
  317   1HB   LYS  35          1HB       LYS  35  18.172   3.020   0.260
  318   2HB   LYS  35          2HB       LYS  35  19.584   4.064   0.167
  319   1HG   LYS  35          1HG       LYS  35  20.287   2.892  -1.880
  320   2HG   LYS  35          2HG       LYS  35  18.820   1.914  -1.797
  321   1HD   LYS  35          1HD       LYS  35  17.839   4.464  -1.598
  322   2HD   LYS  35          2HD       LYS  35  19.197   4.669  -2.706
  323   1HE   LYS  35          1HE       LYS  35  17.013   2.614  -3.026
  324   2HE   LYS  35          2HE       LYS  35  17.048   4.175  -3.846
  325   1HZ   LYS  35          1HZ       LYS  35  19.506   2.867  -4.242
  326   2HZ   LYS  35          2HZ       LYS  35  18.257   1.799  -4.645
  327   3HZ   LYS  35          3HZ       LYS  35  18.350   3.313  -5.394
  328    H    GLN  36           H        GLN  36  20.101   3.355   2.902
  329    HA   GLN  36           HA       GLN  36  22.671   4.567   2.515
  330   1HB   GLN  36          1HB       GLN  36  20.941   5.765   3.730
  331   2HB   GLN  36          2HB       GLN  36  20.847   4.479   4.925
  332   1HG   GLN  36          1HG       GLN  36  22.122   6.032   6.021
  333   2HG   GLN  36          2HG       GLN  36  23.363   5.010   5.299
  334   2HE2  GLN  36          2HE2      GLN  36  24.138   7.428   6.047
  335   1HE2  GLN  36          1HE2      GLN  36  24.362   8.474   4.689
  336    H    SER  37           H        SER  37  21.464   1.718   4.079
  337    HA   SER  37           HA       SER  37  23.792   1.277   5.701
  338   1HB   SER  37          1HB       SER  37  21.210  -0.037   5.255
  339   2HB   SER  37          2HB       SER  37  22.538  -1.169   5.508
  340    HG   SER  37           HG       SER  37  21.550  -0.520   7.477
  341    H    GLU  38           H        GLU  38  22.798   0.522   2.471
  342    HA   GLU  38           HA       GLU  38  24.646  -1.615   2.042
  343   1HB   GLU  38          1HB       GLU  38  22.476  -0.955   0.725
  344   2HB   GLU  38          2HB       GLU  38  23.573   0.072  -0.188
  345   1HG   GLU  38          1HG       GLU  38  24.537  -2.660   0.144
  346   2HG   GLU  38          2HG       GLU  38  23.011  -2.545  -0.731
  347    H    ASP  39           H        ASP  39  24.798   1.845   1.883
  348    HA   ASP  39           HA       ASP  39  27.102   2.040   0.225
  349   1HB   ASP  39          1HB       ASP  39  25.427   3.856   1.799
  350   2HB   ASP  39          2HB       ASP  39  27.127   4.320   1.774
  351    H    ASP  40           H        ASP  40  26.591   1.446   3.605
  352    HA   ASP  40           HA       ASP  40  28.002   0.992   5.330
  353   1HB   ASP  40          1HB       ASP  40  29.453   0.112   2.914
  354   2HB   ASP  40          2HB       ASP  40  30.456   0.366   4.340
  355    H    ASP  41           H        ASP  41  29.800   1.814   6.571
  356    HA   ASP  41           HA       ASP  41  30.940   3.583   7.448
  357   1HB   ASP  41          1HB       ASP  41  31.897   4.077   4.631
  358   2HB   ASP  41          2HB       ASP  41  32.754   4.387   6.137
  359    H1   ALA   1           H1       ALA   1  25.287 -15.519  -0.054
  360    H2   ALA   1           H2       ALA   1  24.541 -16.093  -1.489
  361    H3   ALA   1           H3       ALA   1  25.046 -17.202  -0.280
  362    HA   ALA   1           HA       ALA   1  27.154 -17.140  -0.872
  363   1HB   ALA   1          1HB       ALA   1  25.391 -17.116  -3.028
  364   2HB   ALA   1          2HB       ALA   1  26.711 -16.048  -3.505
  365   3HB   ALA   1          3HB       ALA   1  27.053 -17.708  -3.018
  366    H    LEU   2           H        LEU   2  26.113 -14.297  -2.741
  367    HA   LEU   2           HA       LEU   2  28.424 -12.846  -1.645
  368   1HB   LEU   2          1HB       LEU   2  26.862 -12.346  -4.180
  369   2HB   LEU   2          2HB       LEU   2  28.237 -11.405  -3.633
  370    HG   LEU   2           HG       LEU   2  28.786 -14.277  -3.870
  371   1HD1  LEU   2          1HD1      LEU   2  27.211 -13.947  -5.749
  372   2HD1  LEU   2          2HD1      LEU   2  28.265 -12.675  -6.369
  373   3HD1  LEU   2          3HD1      LEU   2  28.849 -14.337  -6.274
  374   1HD2  LEU   2          1HD2      LEU   2  30.106 -11.731  -4.789
  375   2HD2  LEU   2          2HD2      LEU   2  30.574 -12.766  -3.438
  376   3HD2  LEU   2          3HD2      LEU   2  30.762 -13.340  -5.096
  377    H    LYS   3           H        LYS   3  28.016 -10.352  -1.752
  378    HA   LYS   3           HA       LYS   3  25.594  -9.873  -0.184
  379   1HB   LYS   3          1HB       LYS   3  28.279  -8.646  -0.336
  380   2HB   LYS   3          2HB       LYS   3  26.949  -7.535  -0.041
  381   1HG   LYS   3          1HG       LYS   3  28.002  -8.336   2.028
  382   2HG   LYS   3          2HG       LYS   3  26.295  -8.772   1.922
  383   1HD   LYS   3          1HD       LYS   3  27.255 -10.980   0.872
  384   2HD   LYS   3          2HD       LYS   3  28.718 -10.502   1.735
  385   1HE   LYS   3          1HE       LYS   3  27.850 -11.439   3.555
  386   2HE   LYS   3          2HE       LYS   3  26.651 -10.146   3.568
  387   1HZ   LYS   3          1HZ       LYS   3  25.831 -12.063   1.711
  388   2HZ   LYS   3          2HZ       LYS   3  26.250 -12.884   3.129
  389   3HZ   LYS   3          3HZ       LYS   3  25.095 -11.649   3.178
  390    H    LYS   4           H        LYS   4  25.682 -10.120  -3.164
  391    HA   LYS   4           HA       LYS   4  25.094  -7.446  -4.109
  392   1HB   LYS   4          1HB       LYS   4  24.760  -8.500  -6.283
  393   2HB   LYS   4          2HB       LYS   4  26.271  -9.040  -5.566
  394   1HG   LYS   4          1HG       LYS   4  25.474 -11.034  -6.297
  395   2HG   LYS   4          2HG       LYS   4  24.739 -11.009  -4.693
  396   1HD   LYS   4          1HD       LYS   4  22.850  -9.705  -6.111
  397   2HD   LYS   4          2HD       LYS   4  23.496 -10.774  -7.358
  398   1HE   LYS   4          1HE       LYS   4  23.224 -12.649  -5.651
  399   2HE   LYS   4          2HE       LYS   4  22.248 -11.509  -4.725
  400   1HZ   LYS   4          1HZ       LYS   4  20.991 -11.245  -6.954
  401   2HZ   LYS   4          2HZ       LYS   4  21.679 -12.743  -7.333
  402   3HZ   LYS   4          3HZ       LYS   4  20.677 -12.593  -5.979
  403    H    HIS   5           H        HIS   5  23.375 -10.300  -3.083
  404    HA   HIS   5           HA       HIS   5  20.865  -9.842  -4.174
  405   1HB   HIS   5          1HB       HIS   5  20.003 -11.104  -2.169
  406   2HB   HIS   5          2HB       HIS   5  21.288 -11.913  -3.059
  407    HD1  HIS   5           HD1      HIS   5  22.771 -13.063  -1.462
  408    HD2  HIS   5           HD2      HIS   5  21.468  -9.403   0.015
  409    HE1  HIS   5           HE1      HIS   5  23.893 -12.803   0.773
  410    HE2  HIS   5           HE2      HIS   5  23.092 -10.580   1.649
  411    H    HIS   6           H        HIS   6  22.517  -8.153  -1.654
  412    HA   HIS   6           HA       HIS   6  20.290  -7.032  -0.328
  413   1HB   HIS   6          1HB       HIS   6  23.107  -6.877  -0.127
  414   2HB   HIS   6          2HB       HIS   6  22.524  -5.225  -0.312
  415    HD1  HIS   6           HD1      HIS   6  20.674  -7.930   1.561
  416    HD2  HIS   6           HD2      HIS   6  22.811  -4.446   2.310
  417    HE1  HIS   6           HE1      HIS   6  20.332  -7.445   4.005
  418    HE2  HIS   6           HE2      HIS   6  21.634  -5.332   4.438
  419    H    GLU   7           H        GLU   7  22.470  -5.570  -2.750
  420    HA   GLU   7           HA       GLU   7  21.114  -3.193  -3.119
  421   1HB   GLU   7          1HB       GLU   7  22.391  -4.667  -5.411
  422   2HB   GLU   7          2HB       GLU   7  22.317  -2.933  -5.134
  423   1HG   GLU   7          1HG       GLU   7  23.744  -3.412  -3.054
  424   2HG   GLU   7          2HG       GLU   7  24.054  -4.975  -3.807
  425    H    ASN   8           H        ASN   8  20.274  -6.379  -4.170
  426    HA   ASN   8           HA       ASN   8  18.444  -5.614  -6.218
  427   1HB   ASN   8          1HB       ASN   8  18.898  -8.155  -4.667
  428   2HB   ASN   8          2HB       ASN   8  17.551  -8.002  -5.789
  429   2HD2  ASN   8          2HD2      ASN   8  18.203  -9.398  -7.326
  430   1HD2  ASN   8          1HD2      ASN   8  19.638  -9.208  -8.268
  431    H    GLU   9           H        GLU   9  17.914  -6.885  -2.924
  432    HA   GLU   9           HA       GLU   9  15.160  -6.446  -2.843
  433   1HB   GLU   9          1HB       GLU   9  17.053  -7.452  -1.105
  434   2HB   GLU   9          2HB       GLU   9  16.506  -5.997  -0.284
  435   1HG   GLU   9          1HG       GLU   9  15.109  -7.658   0.531
  436   2HG   GLU   9          2HG       GLU   9  14.140  -6.868  -0.712
  437    H    ILE  10           H        ILE  10  17.784  -4.231  -2.692
  438    HA   ILE  10           HA       ILE  10  16.471  -2.133  -1.307
  439    HB   ILE  10           HB       ILE  10  19.062  -2.641  -2.253
  440   1HG1  ILE  10          1HG1      ILE  10  18.706   0.030  -1.154
  441   2HG1  ILE  10          2HG1      ILE  10  17.815  -1.197  -0.259
  442   1HG2  ILE  10          1HG2      ILE  10  18.039  -0.095  -3.500
  443   2HG2  ILE  10          2HG2      ILE  10  19.740  -0.529  -3.328
  444   3HG2  ILE  10          3HG2      ILE  10  18.680  -1.505  -4.342
  445   1HD1  ILE  10          1HD1      ILE  10  20.335  -2.301  -0.726
  446   2HD1  ILE  10          2HD1      ILE  10  20.622  -0.623  -0.264
  447   3HD1  ILE  10          3HD1      ILE  10  19.695  -1.683   0.797
  448    H    SER  11           H        SER  11  17.164  -2.650  -4.768
  449    HA   SER  11           HA       SER  11  15.693  -0.419  -5.676
  450   1HB   SER  11          1HB       SER  11  17.287  -2.441  -6.835
  451   2HB   SER  11          2HB       SER  11  15.720  -2.523  -7.641
  452    HG   SER  11           HG       SER  11  17.611  -0.473  -7.611
  453    H    HIS  12           H        HIS  12  14.760  -3.610  -4.712
  454    HA   HIS  12           HA       HIS  12  12.230  -3.588  -6.047
  455   1HB   HIS  12          1HB       HIS  12  12.635  -5.774  -5.669
  456   2HB   HIS  12          2HB       HIS  12  13.773  -5.426  -4.379
  457    HD1  HIS  12           HD1      HIS  12  10.174  -6.255  -4.999
  458    HD2  HIS  12           HD2      HIS  12  12.739  -5.590  -1.804
  459    HE1  HIS  12           HE1      HIS  12   8.913  -7.015  -2.959
  460    HE2  HIS  12           HE2      HIS  12  10.485  -6.604  -1.032
  461    H    HIS  13           H        HIS  13  13.396  -2.746  -2.816
  462    HA   HIS  13           HA       HIS  13  10.843  -2.353  -1.656
  463   1HB   HIS  13          1HB       HIS  13  13.421  -0.953  -0.919
  464   2HB   HIS  13          2HB       HIS  13  11.984  -1.102   0.083
  465    HD1  HIS  13           HD1      HIS  13  11.603  -4.221  -0.556
  466    HD2  HIS  13           HD2      HIS  13  15.034  -2.336   0.827
  467    HE1  HIS  13           HE1      HIS  13  12.922  -6.010   0.625
  468    HE2  HIS  13           HE2      HIS  13  15.001  -4.850   1.449
  469    H    ALA  14           H        ALA  14  12.950  -0.376  -3.621
  470    HA   ALA  14           HA       ALA  14  11.688   2.115  -3.189
  471   1HB   ALA  14          1HB       ALA  14  13.914   1.318  -4.524
  472   2HB   ALA  14          2HB       ALA  14  12.822   1.668  -5.864
  473   3HB   ALA  14          3HB       ALA  14  13.182   2.916  -4.672
  474    H    LYS  15           H        LYS  15  11.391  -0.167  -5.913
  475    HA   LYS  15           HA       LYS  15   9.215   1.138  -7.129
  476   1HB   LYS  15          1HB       LYS  15  10.490  -1.538  -7.350
  477   2HB   LYS  15          2HB       LYS  15   8.857  -1.378  -7.982
  478   1HG   LYS  15          1HG       LYS  15  11.292   0.181  -8.814
  479   2HG   LYS  15          2HG       LYS  15  10.405  -1.013  -9.763
  480   1HD   LYS  15          1HD       LYS  15   8.407   0.689  -9.201
  481   2HD   LYS  15          2HD       LYS  15   9.766   1.815  -9.184
  482   1HE   LYS  15          1HE       LYS  15   9.220   1.902 -11.399
  483   2HE   LYS  15          2HE       LYS  15  10.376   0.570 -11.427
  484   1HZ   LYS  15          1HZ       LYS  15   8.034  -0.675 -10.915
  485   2HZ   LYS  15          2HZ       LYS  15   7.550   0.558 -11.967
  486   3HZ   LYS  15          3HZ       LYS  15   8.748  -0.540 -12.443
  487    H    GLU  16           H        GLU  16   9.424  -0.782  -4.306
  488    HA   GLU  16           HA       GLU  16   6.704  -1.712  -4.344
  489   1HB   GLU  16          1HB       GLU  16   8.599  -2.912  -3.203
  490   2HB   GLU  16          2HB       GLU  16   8.613  -1.626  -2.004
  491   1HG   GLU  16          1HG       GLU  16   6.632  -2.286  -1.066
  492   2HG   GLU  16          2HG       GLU  16   6.062  -3.056  -2.547
  493    H    ILE  17           H        ILE  17   8.488   0.983  -2.930
  494    HA   ILE  17           HA       ILE  17   6.341   1.836  -1.249
  495    HB   ILE  17           HB       ILE  17   7.655   3.664  -0.651
  496   1HG1  ILE  17          1HG1      ILE  17   9.812   4.040  -2.270
  497   2HG1  ILE  17          2HG1      ILE  17   8.599   3.571  -3.453
  498   1HG2  ILE  17          1HG2      ILE  17   8.808   1.149  -0.785
  499   2HG2  ILE  17          2HG2      ILE  17  10.072   2.243  -1.345
  500   3HG2  ILE  17          3HG2      ILE  17   9.320   2.496   0.228
  501   1HD1  ILE  17          1HD1      ILE  17   7.467   5.484  -1.674
  502   2HD1  ILE  17          2HD1      ILE  17   9.005   6.090  -2.286
  503   3HD1  ILE  17          3HD1      ILE  17   7.739   5.602  -3.412
  504    H    GLU  18           H        GLU  18   7.360   2.540  -4.533
  505    HA   GLU  18           HA       GLU  18   5.538   4.725  -4.898
  506   1HB   GLU  18          1HB       GLU  18   7.734   4.016  -6.223
  507   2HB   GLU  18          2HB       GLU  18   6.564   3.162  -7.220
  508   1HG   GLU  18          1HG       GLU  18   6.399   5.074  -8.345
  509   2HG   GLU  18          2HG       GLU  18   5.418   5.627  -6.986
  510    H    ARG  19           H        ARG  19   5.563   1.293  -5.783
  511    HA   ARG  19           HA       ARG  19   3.039   1.356  -7.094
  512   1HB   ARG  19          1HB       ARG  19   4.935  -0.400  -7.278
  513   2HB   ARG  19          2HB       ARG  19   4.220  -1.106  -5.837
  514   1HG   ARG  19          1HG       ARG  19   3.042  -2.300  -7.325
  515   2HG   ARG  19          2HG       ARG  19   2.028  -0.857  -7.379
  516   1HD   ARG  19          1HD       ARG  19   4.390  -1.166  -9.198
  517   2HD   ARG  19          2HD       ARG  19   2.830  -1.881  -9.602
  518    HE   ARG  19           HE       ARG  19   3.550   0.850  -9.835
  519   1HH1  ARG  19          1HH1      ARG  19   0.889  -1.237  -9.004
  520   2HH1  ARG  19          2HH1      ARG  19  -0.324  -0.091  -9.467
  521   1HH2  ARG  19          1HH2      ARG  19   1.960   2.368 -10.447
  522   2HH2  ARG  19          2HH2      ARG  19   0.284   1.958 -10.287
  523    H    LEU  20           H        LEU  20   4.042   1.136  -3.795
  524    HA   LEU  20           HA       LEU  20   1.659  -0.044  -2.771
  525   1HB   LEU  20          1HB       LEU  20   4.117   1.143  -1.686
  526   2HB   LEU  20          2HB       LEU  20   2.703   1.382  -0.682
  527    HG   LEU  20           HG       LEU  20   4.149  -0.661  -0.194
  528   1HD1  LEU  20          1HD1      LEU  20   1.768  -0.232   0.559
  529   2HD1  LEU  20          2HD1      LEU  20   1.268  -1.296  -0.755
  530   3HD1  LEU  20          3HD1      LEU  20   2.298  -1.914   0.536
  531   1HD2  LEU  20          1HD2      LEU  20   3.652  -1.141  -2.922
  532   2HD2  LEU  20          2HD2      LEU  20   4.501  -2.177  -1.774
  533   3HD2  LEU  20          3HD2      LEU  20   2.766  -2.372  -2.022
  534    H    GLN  21           H        GLN  21   2.845   3.270  -3.160
  535    HA   GLN  21           HA       GLN  21   0.713   4.583  -1.887
  536   1HB   GLN  21          1HB       GLN  21   3.042   5.386  -3.041
  537   2HB   GLN  21          2HB       GLN  21   1.876   5.935  -4.238
  538   1HG   GLN  21          1HG       GLN  21   0.937   6.641  -1.642
  539   2HG   GLN  21          2HG       GLN  21   2.610   7.166  -1.813
  540   2HE2  GLN  21          2HE2      GLN  21   3.129   8.442  -3.733
  541   1HE2  GLN  21          1HE2      GLN  21   1.934   9.519  -4.363
  542    H    LYS  22           H        LYS  22   1.224   3.811  -5.324
  543    HA   LYS  22           HA       LYS  22  -1.243   4.840  -6.223
  544   1HB   LYS  22          1HB       LYS  22   0.945   3.238  -7.327
  545   2HB   LYS  22          2HB       LYS  22  -0.624   2.833  -8.010
  546   1HG   LYS  22          1HG       LYS  22   0.367   4.490  -9.395
  547   2HG   LYS  22          2HG       LYS  22  -0.953   5.255  -8.506
  548   1HD   LYS  22          1HD       LYS  22   1.654   5.378  -7.166
  549   2HD   LYS  22          2HD       LYS  22   1.578   6.246  -8.701
  550   1HE   LYS  22          1HE       LYS  22  -0.762   6.699  -7.033
  551   2HE   LYS  22          2HE       LYS  22   0.738   7.189  -6.246
  552   1HZ   LYS  22          1HZ       LYS  22   0.058   8.016  -9.006
  553   2HZ   LYS  22          2HZ       LYS  22  -0.415   8.914  -7.654
  554   3HZ   LYS  22          3HZ       LYS  22   1.228   8.673  -7.977
  555    H    GLU  23           H        GLU  23  -0.361   1.873  -4.679
  556    HA   GLU  23           HA       GLU  23  -2.666   0.382  -5.478
  557   1HB   GLU  23          1HB       GLU  23  -0.666  -0.804  -4.832
  558   2HB   GLU  23          2HB       GLU  23  -0.667  -0.032  -3.252
  559   1HG   GLU  23          1HG       GLU  23  -1.471  -2.409  -3.318
  560   2HG   GLU  23          2HG       GLU  23  -2.552  -1.252  -2.543
  561    H    ILE  24           H        ILE  24  -1.869   2.522  -2.824
  562    HA   ILE  24           HA       ILE  24  -4.090   1.809  -1.192
  563    HB   ILE  24           HB       ILE  24  -3.383   3.358   0.318
  564   1HG1  ILE  24          1HG1      ILE  24  -2.139   5.521  -0.426
  565   2HG1  ILE  24          2HG1      ILE  24  -2.817   5.173  -2.013
  566   1HG2  ILE  24          1HG2      ILE  24  -1.385   2.021  -0.763
  567   2HG2  ILE  24          2HG2      ILE  24  -0.833   3.647  -1.162
  568   3HG2  ILE  24          3HG2      ILE  24  -1.128   3.205   0.516
  569   1HD1  ILE  24          1HD1      ILE  24  -4.892   4.948  -0.086
  570   2HD1  ILE  24          2HD1      ILE  24  -4.037   6.470   0.175
  571   3HD1  ILE  24          3HD1      ILE  24  -4.725   6.106  -1.408
  572    H    GLU  25           H        GLU  25  -3.510   4.321  -3.606
  573    HA   GLU  25           HA       GLU  25  -5.962   5.679  -3.314
  574   1HB   GLU  25          1HB       GLU  25  -3.910   6.479  -4.565
  575   2HB   GLU  25          2HB       GLU  25  -4.387   5.409  -5.876
  576   1HG   GLU  25          1HG       GLU  25  -5.572   7.095  -6.680
  577   2HG   GLU  25          2HG       GLU  25  -6.679   6.859  -5.327
  578    H    ARG  26           H        ARG  26  -4.969   3.005  -5.414
  579    HA   ARG  26           HA       ARG  26  -7.328   2.763  -6.895
  580   1HB   ARG  26          1HB       ARG  26  -4.988   1.077  -6.316
  581   2HB   ARG  26          2HB       ARG  26  -6.450   0.175  -6.692
  582   1HG   ARG  26          1HG       ARG  26  -6.672   1.449  -8.785
  583   2HG   ARG  26          2HG       ARG  26  -5.163   2.285  -8.412
  584   1HD   ARG  26          1HD       ARG  26  -3.918   0.558  -9.093
  585   2HD   ARG  26          2HD       ARG  26  -4.925  -0.611  -8.240
  586    HE   ARG  26           HE       ARG  26  -6.435   0.072 -10.383
  587   1HH1  ARG  26          1HH1      ARG  26  -3.159  -1.048 -10.008
  588   2HH1  ARG  26          2HH1      ARG  26  -3.123  -1.857 -11.539
  589   1HH2  ARG  26          1HH2      ARG  26  -6.399  -0.989 -12.401
  590   2HH2  ARG  26          2HH2      ARG  26  -4.965  -1.823 -12.900
  591    H    HIS  27           H        HIS  27  -6.424   1.515  -3.731
  592    HA   HIS  27           HA       HIS  27  -8.698  -0.154  -3.391
  593   1HB   HIS  27          1HB       HIS  27  -6.407   0.692  -1.808
  594   2HB   HIS  27          2HB       HIS  27  -7.874   0.607  -0.841
  595    HD1  HIS  27           HD1      HIS  27  -9.248  -1.823  -1.421
  596    HD2  HIS  27           HD2      HIS  27  -5.112  -1.667  -1.793
  597    HE1  HIS  27           HE1      HIS  27  -8.470  -4.212  -1.303
  598    HE2  HIS  27           HE2      HIS  27  -5.965  -4.094  -1.530
  599    H    LYS  28           H        LYS  28  -8.061   3.230  -2.928
  600    HA   LYS  28           HA       LYS  28 -10.320   3.781  -1.272
  601   1HB   LYS  28          1HB       LYS  28  -8.290   5.231  -1.426
  602   2HB   LYS  28          2HB       LYS  28  -8.790   5.689  -3.048
  603   1HG   LYS  28          1HG       LYS  28 -11.017   6.355  -1.825
  604   2HG   LYS  28          2HG       LYS  28  -9.954   6.440  -0.418
  605   1HD   LYS  28          1HD       LYS  28  -9.517   8.529  -1.101
  606   2HD   LYS  28          2HD       LYS  28  -8.505   7.764  -2.329
  607   1HE   LYS  28          1HE       LYS  28 -10.010   8.137  -3.998
  608   2HE   LYS  28          2HE       LYS  28 -11.399   8.036  -2.916
  609   1HZ   LYS  28          1HZ       LYS  28 -10.486  10.237  -1.986
  610   2HZ   LYS  28          2HZ       LYS  28  -9.628  10.331  -3.441
  611   3HZ   LYS  28          3HZ       LYS  28 -11.317  10.263  -3.458
  612    H    GLN  29           H        GLN  29  -9.775   3.525  -4.697
  613    HA   GLN  29           HA       GLN  29 -12.210   4.842  -5.460
  614   1HB   GLN  29          1HB       GLN  29  -9.984   4.426  -6.818
  615   2HB   GLN  29          2HB       GLN  29 -10.791   2.929  -7.267
  616   1HG   GLN  29          1HG       GLN  29 -11.745   4.073  -8.905
  617   2HG   GLN  29          2HG       GLN  29 -12.725   4.857  -7.667
  618   2HE2  GLN  29          2HE2      GLN  29 -12.090   6.907  -6.895
  619   1HE2  GLN  29          1HE2      GLN  29 -11.061   7.934  -7.829
  620    H    SER  30           H        SER  30 -11.172   1.531  -4.898
  621    HA   SER  30           HA       SER  30 -13.572   0.344  -5.914
  622   1HB   SER  30          1HB       SER  30 -11.107  -0.606  -4.568
  623   2HB   SER  30          2HB       SER  30 -12.544  -1.605  -4.353
  624    HG   SER  30           HG       SER  30 -12.706  -1.799  -6.579
  625    H    ILE  31           H        ILE  31 -12.451   1.451  -2.788
  626    HA   ILE  31           HA       ILE  31 -14.592   0.240  -1.311
  627    HB   ILE  31           HB       ILE  31 -12.438   0.736  -0.249
  628   1HG1  ILE  31          1HG1      ILE  31 -14.984   1.070   0.801
  629   2HG1  ILE  31          2HG1      ILE  31 -13.506   0.850   1.719
  630   1HG2  ILE  31          1HG2      ILE  31 -11.998   2.827  -1.500
  631   2HG2  ILE  31          2HG2      ILE  31 -13.180   3.646  -0.481
  632   3HG2  ILE  31          3HG2      ILE  31 -11.717   2.971   0.235
  633   1HD1  ILE  31          1HD1      ILE  31 -14.235   3.616   0.929
  634   2HD1  ILE  31          2HD1      ILE  31 -15.183   2.831   2.190
  635   3HD1  ILE  31          3HD1      ILE  31 -13.441   3.019   2.387
  636    H    LYS  32           H        LYS  32 -14.023   3.309  -2.879
  637    HA   LYS  32           HA       LYS  32 -16.261   4.635  -1.662
  638   1HB   LYS  32          1HB       LYS  32 -14.128   5.687  -2.696
  639   2HB   LYS  32          2HB       LYS  32 -14.963   5.498  -4.232
  640   1HG   LYS  32          1HG       LYS  32 -16.878   6.704  -2.729
  641   2HG   LYS  32          2HG       LYS  32 -15.406   7.417  -2.066
  642   1HD   LYS  32          1HD       LYS  32 -16.200   8.796  -3.875
  643   2HD   LYS  32          2HD       LYS  32 -14.707   7.998  -4.374
  644   1HE   LYS  32          1HE       LYS  32 -16.572   6.199  -5.191
  645   2HE   LYS  32          2HE       LYS  32 -17.442   7.718  -5.408
  646   1HZ   LYS  32          1HZ       LYS  32 -14.714   7.262  -6.473
  647   2HZ   LYS  32          2HZ       LYS  32 -16.114   6.935  -7.365
  648   3HZ   LYS  32          3HZ       LYS  32 -15.782   8.516  -6.860
  649    H    LYS  33           H        LYS  33 -15.652   2.881  -4.647
  650    HA   LYS  33           HA       LYS  33 -18.176   3.533  -5.833
  651   1HB   LYS  33          1HB       LYS  33 -15.787   2.358  -6.701
  652   2HB   LYS  33          2HB       LYS  33 -16.996   1.090  -6.845
  653   1HG   LYS  33          1HG       LYS  33 -18.399   2.952  -8.013
  654   2HG   LYS  33          2HG       LYS  33 -16.825   3.714  -8.247
  655   1HD   LYS  33          1HD       LYS  33 -17.445   0.876  -9.048
  656   2HD   LYS  33          2HD       LYS  33 -17.589   2.255 -10.140
  657   1HE   LYS  33          1HE       LYS  33 -15.392   2.294 -10.511
  658   2HE   LYS  33          2HE       LYS  33 -15.035   2.236  -8.785
  659   1HZ   LYS  33          1HZ       LYS  33 -15.924  -0.291  -9.523
  660   2HZ   LYS  33          2HZ       LYS  33 -14.805   0.184 -10.699
  661   3HZ   LYS  33          3HZ       LYS  33 -14.360   0.162  -9.067
  662    H    LEU  34           H        LEU  34 -16.925   0.951  -3.826
  663    HA   LEU  34           HA       LEU  34 -19.174  -0.782  -4.159
  664   1HB   LEU  34          1HB       LEU  34 -16.679  -0.766  -2.650
  665   2HB   LEU  34          2HB       LEU  34 -18.010  -1.456  -1.742
  666    HG   LEU  34           HG       LEU  34 -17.206  -2.372  -4.502
  667   1HD1  LEU  34          1HD1      LEU  34 -15.478  -2.727  -2.688
  668   2HD1  LEU  34          2HD1      LEU  34 -16.652  -3.789  -1.911
  669   3HD1  LEU  34          3HD1      LEU  34 -16.046  -4.174  -3.522
  670   1HD2  LEU  34          1HD2      LEU  34 -19.579  -2.732  -3.734
  671   2HD2  LEU  34          2HD2      LEU  34 -18.681  -4.191  -4.154
  672   3HD2  LEU  34          3HD2      LEU  34 -18.923  -3.761  -2.460
  673    H    LYS  35           H        LYS  35 -18.311   1.802  -1.961
  674    HA   LYS  35           HA       LYS  35 -20.362   1.285  -0.052
  675   1HB   LYS  35          1HB       LYS  35 -18.170   3.023  -0.259
  676   2HB   LYS  35          2HB       LYS  35 -19.582   4.068  -0.169
  677   1HG   LYS  35          1HG       LYS  35 -20.287   2.898   1.879
  678   2HG   LYS  35          2HG       LYS  35 -18.820   1.921   1.800
  679   1HD   LYS  35          1HD       LYS  35 -17.839   4.473   1.597
  680   2HD   LYS  35          2HD       LYS  35 -19.198   4.677   2.705
  681   1HE   LYS  35          1HE       LYS  35 -17.014   2.625   3.028
  682   2HE   LYS  35          2HE       LYS  35 -17.048   4.186   3.844
  683   1HZ   LYS  35          1HZ       LYS  35 -19.506   2.879   4.245
  684   2HZ   LYS  35          2HZ       LYS  35 -18.257   1.812   4.648
  685   3HZ   LYS  35          3HZ       LYS  35 -18.349   3.326   5.395
  686    H    GLN  36           H        GLN  36 -20.101   3.360  -2.900
  687    HA   GLN  36           HA       GLN  36 -22.671   4.570  -2.513
  688   1HB   GLN  36          1HB       GLN  36 -20.942   5.769  -3.729
  689   2HB   GLN  36          2HB       GLN  36 -20.846   4.482  -4.923
  690   1HG   GLN  36          1HG       GLN  36 -22.124   6.031  -6.022
  691   2HG   GLN  36          2HG       GLN  36 -23.365   5.009  -5.298
  692   2HE2  GLN  36          2HE2      GLN  36 -24.139   7.427  -6.050
  693   1HE2  GLN  36          1HE2      GLN  36 -24.363   8.474  -4.694
  694    H    SER  37           H        SER  37 -21.463   1.720  -4.075
  695    HA   SER  37           HA       SER  37 -23.793   1.278  -5.696
  696   1HB   SER  37          1HB       SER  37 -21.210  -0.035  -5.251
  697   2HB   SER  37          2HB       SER  37 -22.538  -1.167  -5.502
  698    HG   SER  37           HG       SER  37 -21.553  -0.522  -7.471
  699    H    GLU  38           H        GLU  38 -22.799   0.528  -2.466
  700    HA   GLU  38           HA       GLU  38 -24.645  -1.611  -2.034
  701   1HB   GLU  38          1HB       GLU  38 -22.475  -0.948  -0.718
  702   2HB   GLU  38          2HB       GLU  38 -23.573   0.079   0.193
  703   1HG   GLU  38          1HG       GLU  38 -24.537  -2.653  -0.136
  704   2HG   GLU  38          2HG       GLU  38 -23.010  -2.537   0.738
  705    H    ASP  39           H        ASP  39 -24.800   1.850  -1.881
  706    HA   ASP  39           HA       ASP  39 -27.102   2.045  -0.222
  707   1HB   ASP  39          1HB       ASP  39 -25.428   3.861  -1.798
  708   2HB   ASP  39          2HB       ASP  39 -27.127   4.324  -1.773
  709    H    ASP  40           H        ASP  40 -26.592   1.449  -3.602
  710    HA   ASP  40           HA       ASP  40 -28.003   0.992  -5.325
  711   1HB   ASP  40          1HB       ASP  40 -29.455   0.116  -2.909
  712   2HB   ASP  40          2HB       ASP  40 -30.457   0.369  -4.335
  713    H    ASP  41           H        ASP  41 -29.803   1.812  -6.566
  714    HA   ASP  41           HA       ASP  41 -30.941   3.582  -7.446
  715   1HB   ASP  41          1HB       ASP  41 -31.900   4.080  -4.630
  716   2HB   ASP  41          2HB       ASP  41 -32.756   4.385  -6.139

  No H/Q in entry =         716
  Start of MODEL    8
    1    H1   ALA   1           H1       ALA   1 -29.455 -14.594   0.401
    2    H2   ALA   1           H2       ALA   1 -29.694 -14.860  -1.277
    3    H3   ALA   1           H3       ALA   1 -28.633 -15.874  -0.393
    4    HA   ALA   1           HA       ALA   1 -27.102 -14.181  -0.078
    5   1HB   ALA   1          1HB       ALA   1 -27.619 -15.281  -2.481
    6   2HB   ALA   1          2HB       ALA   1 -27.752 -13.569  -2.884
    7   3HB   ALA   1          3HB       ALA   1 -26.266 -14.193  -2.170
    8    H    LEU   2           H        LEU   2 -28.390 -12.679   1.310
    9    HA   LEU   2           HA       LEU   2 -29.844 -10.525   0.224
   10   1HB   LEU   2          1HB       LEU   2 -28.311 -10.246   2.775
   11   2HB   LEU   2          2HB       LEU   2 -29.911  -9.654   2.373
   12    HG   LEU   2           HG       LEU   2 -30.209 -12.402   2.249
   13   1HD1  LEU   2          1HD1      LEU   2 -28.137 -11.663   4.249
   14   2HD1  LEU   2          2HD1      LEU   2 -29.333 -12.884   4.684
   15   3HD1  LEU   2          3HD1      LEU   2 -28.299 -13.123   3.275
   16   1HD2  LEU   2          1HD2      LEU   2 -30.795 -10.386   4.402
   17   2HD2  LEU   2          2HD2      LEU   2 -31.883 -11.009   3.161
   18   3HD2  LEU   2          3HD2      LEU   2 -31.354 -12.057   4.478
   19    H    LYS   3           H        LYS   3 -28.998  -8.173   0.902
   20    HA   LYS   3           HA       LYS   3 -26.564  -7.799  -0.670
   21   1HB   LYS   3          1HB       LYS   3 -29.015  -6.356  -0.367
   22   2HB   LYS   3          2HB       LYS   3 -27.685  -5.307   0.105
   23   1HG   LYS   3          1HG       LYS   3 -28.356  -5.184  -2.304
   24   2HG   LYS   3          2HG       LYS   3 -26.647  -5.516  -2.012
   25   1HD   LYS   3          1HD       LYS   3 -26.817  -7.707  -2.716
   26   2HD   LYS   3          2HD       LYS   3 -28.545  -7.794  -2.368
   27   1HE   LYS   3          1HE       LYS   3 -28.881  -7.480  -4.548
   28   2HE   LYS   3          2HE       LYS   3 -28.349  -5.817  -4.295
   29   1HZ   LYS   3          1HZ       LYS   3 -26.433  -8.001  -4.855
   30   2HZ   LYS   3          2HZ       LYS   3 -27.188  -7.137  -6.097
   31   3HZ   LYS   3          3HZ       LYS   3 -26.193  -6.332  -4.992
   32    H    LYS   4           H        LYS   4 -26.608  -8.728   2.169
   33    HA   LYS   4           HA       LYS   4 -25.535  -6.531   3.697
   34   1HB   LYS   4          1HB       LYS   4 -26.835  -8.267   4.816
   35   2HB   LYS   4          2HB       LYS   4 -25.678  -9.489   4.303
   36   1HG   LYS   4          1HG       LYS   4 -24.559  -7.236   5.830
   37   2HG   LYS   4          2HG       LYS   4 -25.648  -8.306   6.716
   38   1HD   LYS   4          1HD       LYS   4 -23.484  -9.480   5.025
   39   2HD   LYS   4          2HD       LYS   4 -23.083  -8.819   6.611
   40   1HE   LYS   4          1HE       LYS   4 -24.806 -10.279   7.614
   41   2HE   LYS   4          2HE       LYS   4 -25.108 -10.976   6.023
   42   1HZ   LYS   4          1HZ       LYS   4 -22.421 -11.219   6.326
   43   2HZ   LYS   4          2HZ       LYS   4 -23.000 -11.529   7.885
   44   3HZ   LYS   4          3HZ       LYS   4 -23.554 -12.449   6.579
   45    H    HIS   5           H        HIS   5 -24.302  -9.271   1.893
   46    HA   HIS   5           HA       HIS   5 -21.703  -9.423   2.794
   47   1HB   HIS   5          1HB       HIS   5 -21.148 -10.143   0.423
   48   2HB   HIS   5          2HB       HIS   5 -22.441 -11.037   1.217
   49    HD1  HIS   5           HD1      HIS   5 -24.204 -11.548  -0.426
   50    HD2  HIS   5           HD2      HIS   5 -22.566  -7.781  -1.054
   51    HE1  HIS   5           HE1      HIS   5 -25.476 -10.577  -2.367
   52    HE2  HIS   5           HE2      HIS   5 -24.469  -8.295  -2.729
   53    H    HIS   6           H        HIS   6 -23.209  -6.915   0.952
   54    HA   HIS   6           HA       HIS   6 -20.908  -5.759  -0.201
   55   1HB   HIS   6          1HB       HIS   6 -23.718  -5.038   0.158
   56   2HB   HIS   6          2HB       HIS   6 -22.643  -3.646   0.233
   57    HD1  HIS   6           HD1      HIS   6 -21.519  -6.366  -1.984
   58    HD2  HIS   6           HD2      HIS   6 -23.776  -2.890  -2.294
   59    HE1  HIS   6           HE1      HIS   6 -21.685  -5.890  -4.448
   60    HE2  HIS   6           HE2      HIS   6 -23.055  -3.781  -4.613
   61    H    GLU   7           H        GLU   7 -22.639  -5.048   2.825
   62    HA   GLU   7           HA       GLU   7 -21.059  -2.926   3.691
   63   1HB   GLU   7          1HB       GLU   7 -23.246  -3.989   4.680
   64   2HB   GLU   7          2HB       GLU   7 -22.120  -4.922   5.654
   65   1HG   GLU   7          1HG       GLU   7 -21.093  -2.582   6.183
   66   2HG   GLU   7          2HG       GLU   7 -22.679  -1.998   5.681
   67    H    ASN   8           H        ASN   8 -20.419  -6.324   3.623
   68    HA   ASN   8           HA       ASN   8 -18.302  -6.335   5.531
   69   1HB   ASN   8          1HB       ASN   8 -19.265  -8.240   3.425
   70   2HB   ASN   8          2HB       ASN   8 -17.700  -8.509   4.187
   71   2HD2  ASN   8          2HD2      ASN   8 -18.554 -10.463   5.026
   72   1HD2  ASN   8          1HD2      ASN   8 -19.573 -10.451   6.421
   73    H    GLU   9           H        GLU   9 -18.264  -6.588   1.970
   74    HA   GLU   9           HA       GLU   9 -15.510  -6.290   1.648
   75   1HB   GLU   9          1HB       GLU   9 -17.833  -6.338  -0.038
   76   2HB   GLU   9          2HB       GLU   9 -16.770  -5.038  -0.557
   77   1HG   GLU   9          1HG       GLU   9 -14.901  -6.733  -0.553
   78   2HG   GLU   9          2HG       GLU   9 -16.144  -7.966  -0.347
   79    H    ILE  10           H        ILE  10 -17.925  -3.991   2.489
   80    HA   ILE  10           HA       ILE  10 -16.583  -1.651   1.605
   81    HB   ILE  10           HB       ILE  10 -19.095  -2.264   2.683
   82   1HG1  ILE  10          1HG1      ILE  10 -18.701   0.578   2.411
   83   2HG1  ILE  10          2HG1      ILE  10 -17.878  -0.294   1.123
   84   1HG2  ILE  10          1HG2      ILE  10 -18.268  -1.815   4.954
   85   2HG2  ILE  10          2HG2      ILE  10 -17.813  -0.189   4.450
   86   3HG2  ILE  10          3HG2      ILE  10 -19.507  -0.672   4.448
   87   1HD1  ILE  10          1HD1      ILE  10 -20.266  -1.562   1.154
   88   2HD1  ILE  10          2HD1      ILE  10 -20.737   0.071   1.630
   89   3HD1  ILE  10          3HD1      ILE  10 -19.872  -0.190   0.116
   90    H    SER  11           H        SER  11 -16.891  -3.190   4.802
   91    HA   SER  11           HA       SER  11 -15.177  -1.383   6.137
   92   1HB   SER  11          1HB       SER  11 -15.369  -2.799   8.004
   93   2HB   SER  11          2HB       SER  11 -16.885  -3.037   7.137
   94    HG   SER  11           HG       SER  11 -16.145  -5.051   7.588
   95    H    HIS  12           H        HIS  12 -14.559  -4.085   4.083
   96    HA   HIS  12           HA       HIS  12 -11.901  -4.540   5.085
   97   1HB   HIS  12          1HB       HIS  12 -12.350  -6.530   4.161
   98   2HB   HIS  12          2HB       HIS  12 -13.751  -5.884   3.325
   99    HD1  HIS  12           HD1      HIS  12  -9.984  -6.108   2.808
  100    HD2  HIS  12           HD2      HIS  12 -13.522  -5.940   0.640
  101    HE1  HIS  12           HE1      HIS  12  -9.311  -6.414   0.404
  102    HE2  HIS  12           HE2      HIS  12 -11.469  -6.313  -0.894
  103    H    HIS  13           H        HIS  13 -13.360  -2.843   2.335
  104    HA   HIS  13           HA       HIS  13 -10.864  -2.200   1.111
  105   1HB   HIS  13          1HB       HIS  13 -13.444  -0.665   0.814
  106   2HB   HIS  13          2HB       HIS  13 -12.092  -0.706  -0.306
  107    HD1  HIS  13           HD1      HIS  13 -11.870  -3.921  -0.193
  108    HD2  HIS  13           HD2      HIS  13 -15.237  -1.637  -1.018
  109    HE1  HIS  13           HE1      HIS  13 -13.378  -5.417  -1.542
  110    HE2  HIS  13           HE2      HIS  13 -15.415  -4.015  -2.030
  111    H    ALA  14           H        ALA  14 -12.710  -0.879   3.720
  112    HA   ALA  14           HA       ALA  14 -11.512   1.723   3.684
  113   1HB   ALA  14          1HB       ALA  14 -13.579   0.393   5.151
  114   2HB   ALA  14          2HB       ALA  14 -13.249   2.119   5.013
  115   3HB   ALA  14          3HB       ALA  14 -12.465   1.170   6.276
  116    H    LYS  15           H        LYS  15 -11.120  -1.158   5.739
  117    HA   LYS  15           HA       LYS  15  -8.855  -0.061   7.108
  118   1HB   LYS  15          1HB       LYS  15  -9.966  -2.870   6.976
  119   2HB   LYS  15          2HB       LYS  15  -8.615  -2.397   7.997
  120   1HG   LYS  15          1HG       LYS  15 -10.461  -0.560   8.725
  121   2HG   LYS  15          2HG       LYS  15 -11.493  -1.938   8.336
  122   1HD   LYS  15          1HD       LYS  15 -10.691  -3.195  10.055
  123   2HD   LYS  15          2HD       LYS  15  -9.083  -2.474   9.974
  124   1HE   LYS  15          1HE       LYS  15  -9.660  -1.325  11.797
  125   2HE   LYS  15          2HE       LYS  15 -10.689  -0.366  10.734
  126   1HZ   LYS  15          1HZ       LYS  15 -11.783  -2.870  11.767
  127   2HZ   LYS  15          2HZ       LYS  15 -11.627  -1.586  12.858
  128   3HZ   LYS  15          3HZ       LYS  15 -12.557  -1.398  11.459
  129    H    GLU  16           H        GLU  16  -9.312  -1.524   4.074
  130    HA   GLU  16           HA       GLU  16  -6.637  -2.613   3.898
  131   1HB   GLU  16          1HB       GLU  16  -8.462  -3.796   2.786
  132   2HB   GLU  16          2HB       GLU  16  -8.827  -2.367   1.826
  133   1HG   GLU  16          1HG       GLU  16  -7.474  -3.161   0.269
  134   2HG   GLU  16          2HG       GLU  16  -6.128  -2.874   1.370
  135    H    ILE  17           H        ILE  17  -8.427   0.234   2.849
  136    HA   ILE  17           HA       ILE  17  -6.305   1.164   1.130
  137    HB   ILE  17           HB       ILE  17  -8.610   1.816   0.668
  138   1HG1  ILE  17          1HG1      ILE  17  -6.592   3.313   0.146
  139   2HG1  ILE  17          2HG1      ILE  17  -8.186   4.053   0.077
  140   1HG2  ILE  17          1HG2      ILE  17  -9.439   1.889   2.962
  141   2HG2  ILE  17          2HG2      ILE  17  -8.492   3.345   3.263
  142   3HG2  ILE  17          3HG2      ILE  17  -9.814   3.377   2.094
  143   1HD1  ILE  17          1HD1      ILE  17  -7.200   4.376   2.710
  144   2HD1  ILE  17          2HD1      ILE  17  -5.925   4.842   1.585
  145   3HD1  ILE  17          3HD1      ILE  17  -7.509   5.609   1.488
  146    H    GLU  18           H        GLU  18  -7.338   1.694   4.446
  147    HA   GLU  18           HA       GLU  18  -5.446   3.816   4.905
  148   1HB   GLU  18          1HB       GLU  18  -7.732   3.154   6.145
  149   2HB   GLU  18          2HB       GLU  18  -6.601   2.303   7.187
  150   1HG   GLU  18          1HG       GLU  18  -5.619   4.936   6.702
  151   2HG   GLU  18          2HG       GLU  18  -7.300   5.029   7.224
  152    H    ARG  19           H        ARG  19  -5.650   0.353   5.533
  153    HA   ARG  19           HA       ARG  19  -3.209   0.237   7.020
  154   1HB   ARG  19          1HB       ARG  19  -5.056  -1.434   7.230
  155   2HB   ARG  19          2HB       ARG  19  -4.666  -2.011   5.616
  156   1HG   ARG  19          1HG       ARG  19  -3.536  -3.521   6.910
  157   2HG   ARG  19          2HG       ARG  19  -2.276  -2.322   6.618
  158   1HD   ARG  19          1HD       ARG  19  -3.192  -1.250   8.817
  159   2HD   ARG  19          2HD       ARG  19  -3.845  -2.863   9.102
  160    HE   ARG  19           HE       ARG  19  -1.722  -3.613   9.525
  161   1HH1  ARG  19          1HH1      ARG  19  -1.554  -0.493   7.989
  162   2HH1  ARG  19          2HH1      ARG  19   0.151  -0.316   8.240
  163   1HH2  ARG  19          1HH2      ARG  19   0.524  -3.392   9.862
  164   2HH2  ARG  19          2HH2      ARG  19   1.333  -1.965   9.304
  165    H    LEU  20           H        LEU  20  -4.082   0.112   3.662
  166    HA   LEU  20           HA       LEU  20  -1.647  -1.072   2.748
  167   1HB   LEU  20          1HB       LEU  20  -3.967   0.299   1.469
  168   2HB   LEU  20          2HB       LEU  20  -2.484   0.144   0.552
  169    HG   LEU  20           HG       LEU  20  -3.834  -2.232   1.809
  170   1HD1  LEU  20          1HD1      LEU  20  -5.339  -0.980   0.216
  171   2HD1  LEU  20          2HD1      LEU  20  -4.165  -1.353  -1.047
  172   3HD1  LEU  20          3HD1      LEU  20  -4.996  -2.659  -0.203
  173   1HD2  LEU  20          1HD2      LEU  20  -1.459  -2.426   1.141
  174   2HD2  LEU  20          2HD2      LEU  20  -2.526  -3.490   0.226
  175   3HD2  LEU  20          3HD2      LEU  20  -1.919  -2.006  -0.509
  176    H    GLN  21           H        GLN  21  -2.870   2.222   3.122
  177    HA   GLN  21           HA       GLN  21  -0.721   3.569   1.916
  178   1HB   GLN  21          1HB       GLN  21  -2.834   4.679   2.438
  179   2HB   GLN  21          2HB       GLN  21  -2.540   4.468   4.159
  180   1HG   GLN  21          1HG       GLN  21  -0.786   6.026   4.161
  181   2HG   GLN  21          2HG       GLN  21  -0.664   6.013   2.402
  182   2HE2  GLN  21          2HE2      GLN  21  -2.506   6.881   1.206
  183   1HE2  GLN  21          1HE2      GLN  21  -3.397   8.194   1.889
  184    H    LYS  22           H        LYS  22  -1.288   2.650   5.304
  185    HA   LYS  22           HA       LYS  22   1.088   3.772   6.329
  186   1HB   LYS  22          1HB       LYS  22  -1.055   2.057   7.288
  187   2HB   LYS  22          2HB       LYS  22   0.504   1.581   7.947
  188   1HG   LYS  22          1HG       LYS  22  -0.651   4.358   8.078
  189   2HG   LYS  22          2HG       LYS  22  -0.695   3.172   9.384
  190   1HD   LYS  22          1HD       LYS  22   1.222   4.139  10.043
  191   2HD   LYS  22          2HD       LYS  22   1.954   3.192   8.747
  192   1HE   LYS  22          1HE       LYS  22   2.187   4.998   7.371
  193   2HE   LYS  22          2HE       LYS  22   0.780   5.825   8.041
  194   1HZ   LYS  22          1HZ       LYS  22   2.798   5.563  10.009
  195   2HZ   LYS  22          2HZ       LYS  22   3.436   6.303   8.628
  196   3HZ   LYS  22          3HZ       LYS  22   2.084   6.969   9.396
  197    H    GLU  23           H        GLU  23   0.370   0.697   4.820
  198    HA   GLU  23           HA       GLU  23   2.768  -0.626   5.547
  199   1HB   GLU  23          1HB       GLU  23   0.530  -1.100   3.685
  200   2HB   GLU  23          2HB       GLU  23   2.054  -1.846   3.226
  201   1HG   GLU  23          1HG       GLU  23   1.397  -2.234   6.034
  202   2HG   GLU  23          2HG       GLU  23   0.188  -2.899   4.936
  203    H    ILE  24           H        ILE  24   1.881   1.476   2.874
  204    HA   ILE  24           HA       ILE  24   4.188   0.968   1.305
  205    HB   ILE  24           HB       ILE  24   3.435   2.528  -0.178
  206   1HG1  ILE  24          1HG1      ILE  24   2.000   4.564   0.618
  207   2HG1  ILE  24          2HG1      ILE  24   2.693   4.208   2.198
  208   1HG2  ILE  24          1HG2      ILE  24   1.485   1.034   0.865
  209   2HG2  ILE  24          2HG2      ILE  24   0.812   2.635   1.165
  210   3HG2  ILE  24          3HG2      ILE  24   1.235   2.151  -0.473
  211   1HD1  ILE  24          1HD1      ILE  24   4.788   4.214   0.279
  212   2HD1  ILE  24          2HD1      ILE  24   3.824   5.680   0.076
  213   3HD1  ILE  24          3HD1      ILE  24   4.532   5.300   1.647
  214    H    GLU  25           H        GLU  25   3.411   3.349   3.788
  215    HA   GLU  25           HA       GLU  25   5.709   4.932   3.591
  216   1HB   GLU  25          1HB       GLU  25   3.511   5.168   5.036
  217   2HB   GLU  25          2HB       GLU  25   4.490   4.379   6.263
  218   1HG   GLU  25          1HG       GLU  25   5.947   6.153   6.437
  219   2HG   GLU  25          2HG       GLU  25   5.562   6.763   4.828
  220    H    ARG  26           H        ARG  26   5.066   2.013   5.498
  221    HA   ARG  26           HA       ARG  26   7.451   1.900   6.927
  222   1HB   ARG  26          1HB       ARG  26   5.238   0.181   6.437
  223   2HB   ARG  26          2HB       ARG  26   6.703  -0.751   6.158
  224   1HG   ARG  26          1HG       ARG  26   5.934  -0.958   8.458
  225   2HG   ARG  26          2HG       ARG  26   7.514  -0.175   8.377
  226   1HD   ARG  26          1HD       ARG  26   6.220   2.029   8.432
  227   2HD   ARG  26          2HD       ARG  26   4.833   1.063   8.930
  228    HE   ARG  26           HE       ARG  26   6.949   0.399  10.606
  229   1HH1  ARG  26          1HH1      ARG  26   4.996   3.182   9.852
  230   2HH1  ARG  26          2HH1      ARG  26   5.142   3.874  11.433
  231   1HH2  ARG  26          1HH2      ARG  26   7.148   1.301  12.691
  232   2HH2  ARG  26          2HH2      ARG  26   6.366   2.806  13.047
  233    H    HIS  27           H        HIS  27   6.659   0.490   3.759
  234    HA   HIS  27           HA       HIS  27   9.228  -0.590   3.284
  235   1HB   HIS  27          1HB       HIS  27   6.815  -0.027   1.629
  236   2HB   HIS  27          2HB       HIS  27   8.336  -0.311   0.790
  237    HD1  HIS  27           HD1      HIS  27   9.545  -2.666   1.490
  238    HD2  HIS  27           HD2      HIS  27   5.488  -2.293   2.311
  239    HE1  HIS  27           HE1      HIS  27   8.708  -5.014   1.830
  240    HE2  HIS  27           HE2      HIS  27   6.251  -4.765   2.326
  241    H    LYS  28           H        LYS  28   7.936   2.599   3.025
  242    HA   LYS  28           HA       LYS  28   9.851   3.620   1.171
  243   1HB   LYS  28          1HB       LYS  28   7.550   4.597   1.775
  244   2HB   LYS  28          2HB       LYS  28   8.346   5.265   3.193
  245   1HG   LYS  28          1HG       LYS  28   9.986   5.963   1.053
  246   2HG   LYS  28          2HG       LYS  28   8.337   6.213   0.476
  247   1HD   LYS  28          1HD       LYS  28   8.496   8.200   1.509
  248   2HD   LYS  28          2HD       LYS  28   8.213   7.274   2.984
  249   1HE   LYS  28          1HE       LYS  28  10.409   7.369   3.630
  250   2HE   LYS  28          2HE       LYS  28  11.001   7.505   1.975
  251   1HZ   LYS  28          1HZ       LYS  28   9.478   9.772   2.496
  252   2HZ   LYS  28          2HZ       LYS  28  10.492   9.555   3.832
  253   3HZ   LYS  28          3HZ       LYS  28  11.153   9.678   2.281
  254    H    GLN  29           H        GLN  29   9.683   3.268   4.646
  255    HA   GLN  29           HA       GLN  29  11.954   4.935   5.185
  256   1HB   GLN  29          1HB       GLN  29   9.934   4.088   6.727
  257   2HB   GLN  29          2HB       GLN  29  11.122   2.859   7.137
  258   1HG   GLN  29          1HG       GLN  29  11.995   4.268   8.597
  259   2HG   GLN  29          2HG       GLN  29  12.487   5.296   7.252
  260   2HE2  GLN  29          2HE2      GLN  29  10.920   5.298  10.103
  261   1HE2  GLN  29          1HE2      GLN  29   9.860   6.643   9.868
  262    H    SER  30           H        SER  30  11.395   1.534   4.583
  263    HA   SER  30           HA       SER  30  14.000   0.683   5.416
  264   1HB   SER  30          1HB       SER  30  13.351  -1.466   4.779
  265   2HB   SER  30          2HB       SER  30  11.808  -0.715   5.184
  266    HG   SER  30           HG       SER  30  11.916  -0.148   2.766
  267    H    ILE  31           H        ILE  31  12.522   1.674   2.392
  268    HA   ILE  31           HA       ILE  31  14.706   0.883   0.729
  269    HB   ILE  31           HB       ILE  31  12.482   1.123  -0.204
  270   1HG1  ILE  31          1HG1      ILE  31  13.013   2.597  -2.154
  271   2HG1  ILE  31          2HG1      ILE  31  14.456   3.136  -1.297
  272   1HG2  ILE  31          1HG2      ILE  31  12.755   4.051   0.460
  273   2HG2  ILE  31          2HG2      ILE  31  11.452   3.339  -0.491
  274   3HG2  ILE  31          3HG2      ILE  31  11.644   2.906   1.206
  275   1HD1  ILE  31          1HD1      ILE  31  15.142   0.702  -1.224
  276   2HD1  ILE  31          2HD1      ILE  31  13.840   0.411  -2.377
  277   3HD1  ILE  31          3HD1      ILE  31  15.168   1.487  -2.803
  278    H    LYS  32           H        LYS  32  13.809   3.826   2.429
  279    HA   LYS  32           HA       LYS  32  15.837   5.434   1.186
  280   1HB   LYS  32          1HB       LYS  32  13.998   5.834   3.535
  281   2HB   LYS  32          2HB       LYS  32  15.260   6.998   3.152
  282   1HG   LYS  32          1HG       LYS  32  13.079   6.147   1.260
  283   2HG   LYS  32          2HG       LYS  32  13.051   7.612   2.244
  284   1HD   LYS  32          1HD       LYS  32  15.357   8.072   1.105
  285   2HD   LYS  32          2HD       LYS  32  14.767   6.934  -0.107
  286   1HE   LYS  32          1HE       LYS  32  12.869   8.300  -0.575
  287   2HE   LYS  32          2HE       LYS  32  13.211   9.346   0.804
  288   1HZ   LYS  32          1HZ       LYS  32  15.488   9.498  -0.632
  289   2HZ   LYS  32          2HZ       LYS  32  14.324   9.385  -1.852
  290   3HZ   LYS  32          3HZ       LYS  32  14.227  10.621  -0.701
  291    H    LYS  33           H        LYS  33  15.550   3.511   4.097
  292    HA   LYS  33           HA       LYS  33  17.965   4.455   5.299
  293   1HB   LYS  33          1HB       LYS  33  16.025   2.254   5.839
  294   2HB   LYS  33          2HB       LYS  33  17.619   2.151   6.572
  295   1HG   LYS  33          1HG       LYS  33  17.295   4.083   7.837
  296   2HG   LYS  33          2HG       LYS  33  15.944   4.620   6.837
  297   1HD   LYS  33          1HD       LYS  33  14.520   3.611   8.214
  298   2HD   LYS  33          2HD       LYS  33  15.298   2.061   7.886
  299   1HE   LYS  33          1HE       LYS  33  16.227   4.055   9.950
  300   2HE   LYS  33          2HE       LYS  33  15.229   2.643  10.295
  301   1HZ   LYS  33          1HZ       LYS  33  17.050   1.268   9.348
  302   2HZ   LYS  33          2HZ       LYS  33  18.009   2.660   9.257
  303   3HZ   LYS  33          3HZ       LYS  33  17.479   2.092  10.762
  304    H    LEU  34           H        LEU  34  17.098   1.893   3.092
  305    HA   LEU  34           HA       LEU  34  19.537   0.436   3.294
  306   1HB   LEU  34          1HB       LEU  34  17.086   0.047   2.073
  307   2HB   LEU  34          2HB       LEU  34  18.175   0.269   0.718
  308    HG   LEU  34           HG       LEU  34  18.179  -2.031   1.013
  309   1HD1  LEU  34          1HD1      LEU  34  20.511  -0.636   1.670
  310   2HD1  LEU  34          2HD1      LEU  34  20.409  -1.965   2.824
  311   3HD1  LEU  34          3HD1      LEU  34  20.379  -2.296   1.093
  312   1HD2  LEU  34          1HD2      LEU  34  17.254  -1.449   3.564
  313   2HD2  LEU  34          2HD2      LEU  34  17.487  -3.050   2.860
  314   3HD2  LEU  34          3HD2      LEU  34  18.768  -2.316   3.827
  315    H    LYS  35           H        LYS  35  18.338   2.961   1.122
  316    HA   LYS  35           HA       LYS  35  20.553   2.971  -0.628
  317   1HB   LYS  35          1HB       LYS  35  18.124   4.228  -0.570
  318   2HB   LYS  35          2HB       LYS  35  19.217   5.557  -0.212
  319   1HG   LYS  35          1HG       LYS  35  18.747   5.367  -2.604
  320   2HG   LYS  35          2HG       LYS  35  20.458   5.126  -2.246
  321   1HD   LYS  35          1HD       LYS  35  20.429   3.058  -3.085
  322   2HD   LYS  35          2HD       LYS  35  18.977   2.635  -2.177
  323   1HE   LYS  35          1HE       LYS  35  18.250   2.433  -4.359
  324   2HE   LYS  35          2HE       LYS  35  17.762   4.081  -3.964
  325   1HZ   LYS  35          1HZ       LYS  35  19.909   4.806  -4.993
  326   2HZ   LYS  35          2HZ       LYS  35  20.106   3.225  -5.562
  327   3HZ   LYS  35          3HZ       LYS  35  18.786   4.150  -6.073
  328    H    GLN  36           H        GLN  36  19.864   4.708   2.364
  329    HA   GLN  36           HA       GLN  36  22.210   6.346   2.219
  330   1HB   GLN  36          1HB       GLN  36  20.300   7.154   3.451
  331   2HB   GLN  36          2HB       GLN  36  20.309   5.733   4.485
  332   1HG   GLN  36          1HG       GLN  36  22.027   6.492   5.757
  333   2HG   GLN  36          2HG       GLN  36  22.764   7.385   4.427
  334   2HE2  GLN  36          2HE2      GLN  36  22.951   9.376   5.239
  335   1HE2  GLN  36          1HE2      GLN  36  21.644  10.326   5.851
  336    H    SER  37           H        SER  37  21.465   3.184   3.410
  337    HA   SER  37           HA       SER  37  23.782   2.986   5.111
  338   1HB   SER  37          1HB       SER  37  21.483   1.283   4.407
  339   2HB   SER  37          2HB       SER  37  22.980   0.403   4.714
  340    HG   SER  37           HG       SER  37  22.493   0.671   6.735
  341    H    GLU  38           H        GLU  38  23.024   2.393   1.788
  342    HA   GLU  38           HA       GLU  38  25.237   0.639   1.278
  343   1HB   GLU  38          1HB       GLU  38  22.931   1.450  -0.110
  344   2HB   GLU  38          2HB       GLU  38  24.289   2.007  -1.079
  345   1HG   GLU  38          1HG       GLU  38  25.202  -0.250  -1.118
  346   2HG   GLU  38          2HG       GLU  38  23.861  -0.815  -0.121
  347    H    ASP  39           H        ASP  39  24.729   4.062   1.365
  348    HA   ASP  39           HA       ASP  39  26.986   4.792  -0.223
  349   1HB   ASP  39          1HB       ASP  39  24.826   6.151   0.681
  350   2HB   ASP  39          2HB       ASP  39  26.039   6.690   1.839
  351    H    ASP  40           H        ASP  40  26.488   3.978   3.118
  352    HA   ASP  40           HA       ASP  40  27.878   3.869   4.922
  353   1HB   ASP  40          1HB       ASP  40  29.764   3.252   2.649
  354   2HB   ASP  40          2HB       ASP  40  30.253   3.148   4.338
  355    H    ASP  41           H        ASP  41  27.674   6.047   5.552
  356    HA   ASP  41           HA       ASP  41  30.097   7.640   5.063
  357   1HB   ASP  41          1HB       ASP  41  28.478   9.665   5.314
  358   2HB   ASP  41          2HB       ASP  41  28.575   8.832   3.766
  359    H1   ALA   1           H1       ALA   1  29.457 -14.592  -0.414
  360    H2   ALA   1           H2       ALA   1  29.696 -14.857   1.264
  361    H3   ALA   1           H3       ALA   1  28.635 -15.872   0.380
  362    HA   ALA   1           HA       ALA   1  27.103 -14.179   0.065
  363   1HB   ALA   1          1HB       ALA   1  27.754 -13.569   2.872
  364   2HB   ALA   1          2HB       ALA   1  26.267 -14.193   2.158
  365   3HB   ALA   1          3HB       ALA   1  27.620 -15.281   2.469
  366    H    LEU   2           H        LEU   2  28.392 -12.677  -1.322
  367    HA   LEU   2           HA       LEU   2  29.845 -10.522  -0.234
  368   1HB   LEU   2          1HB       LEU   2  28.313 -10.243  -2.785
  369   2HB   LEU   2          2HB       LEU   2  29.914  -9.651  -2.382
  370    HG   LEU   2           HG       LEU   2  30.210 -12.397  -2.261
  371   1HD1  LEU   2          1HD1      LEU   2  28.137 -11.658  -4.260
  372   2HD1  LEU   2          2HD1      LEU   2  29.334 -12.879  -4.695
  373   3HD1  LEU   2          3HD1      LEU   2  28.301 -13.119  -3.286
  374   1HD2  LEU   2          1HD2      LEU   2  30.796 -10.381  -4.413
  375   2HD2  LEU   2          2HD2      LEU   2  31.884 -11.005  -3.173
  376   3HD2  LEU   2          3HD2      LEU   2  31.355 -12.052  -4.490
  377    H    LYS   3           H        LYS   3  29.001  -8.170  -0.908
  378    HA   LYS   3           HA       LYS   3  26.566  -7.798   0.661
  379   1HB   LYS   3          1HB       LYS   3  29.016  -6.354   0.360
  380   2HB   LYS   3          2HB       LYS   3  27.687  -5.304  -0.112
  381   1HG   LYS   3          1HG       LYS   3  28.354  -5.181   2.298
  382   2HG   LYS   3          2HG       LYS   3  26.647  -5.518   2.004
  383   1HD   LYS   3          1HD       LYS   3  26.821  -7.709   2.708
  384   2HD   LYS   3          2HD       LYS   3  28.550  -7.790   2.362
  385   1HE   LYS   3          1HE       LYS   3  28.881  -7.477   4.542
  386   2HE   LYS   3          2HE       LYS   3  28.348  -5.816   4.289
  387   1HZ   LYS   3          1HZ       LYS   3  26.435  -8.002   4.844
  388   2HZ   LYS   3          2HZ       LYS   3  27.187  -7.139   6.089
  389   3HZ   LYS   3          3HZ       LYS   3  26.192  -6.333   4.984
  390    H    LYS   4           H        LYS   4  26.610  -8.727  -2.178
  391    HA   LYS   4           HA       LYS   4  25.540  -6.527  -3.707
  392   1HB   LYS   4          1HB       LYS   4  26.839  -8.266  -4.825
  393   2HB   LYS   4          2HB       LYS   4  25.682  -9.486  -4.313
  394   1HG   LYS   4          1HG       LYS   4  24.564  -7.232  -5.840
  395   2HG   LYS   4          2HG       LYS   4  25.652  -8.304  -6.725
  396   1HD   LYS   4          1HD       LYS   4  23.488  -9.475  -5.033
  397   2HD   LYS   4          2HD       LYS   4  23.086  -8.814  -6.619
  398   1HE   LYS   4          1HE       LYS   4  24.806 -10.275  -7.625
  399   2HE   LYS   4          2HE       LYS   4  25.110 -10.974  -6.034
  400   1HZ   LYS   4          1HZ       LYS   4  22.421 -11.213  -6.335
  401   2HZ   LYS   4          2HZ       LYS   4  22.999 -11.522  -7.895
  402   3HZ   LYS   4          3HZ       LYS   4  23.552 -12.444  -6.590
  403    H    HIS   5           H        HIS   5  24.304  -9.268  -1.903
  404    HA   HIS   5           HA       HIS   5  21.706  -9.418  -2.808
  405   1HB   HIS   5          1HB       HIS   5  21.149 -10.137  -0.437
  406   2HB   HIS   5          2HB       HIS   5  22.440 -11.033  -1.230
  407    HD1  HIS   5           HD1      HIS   5  24.202 -11.546   0.414
  408    HD2  HIS   5           HD2      HIS   5  22.568  -7.778   1.044
  409    HE1  HIS   5           HE1      HIS   5  25.473 -10.577   2.356
  410    HE2  HIS   5           HE2      HIS   5  24.468  -8.296   2.720
  411    H    HIS   6           H        HIS   6  23.212  -6.912  -0.960
  412    HA   HIS   6           HA       HIS   6  20.914  -5.753   0.191
  413   1HB   HIS   6          1HB       HIS   6  23.721  -5.033  -0.172
  414   2HB   HIS   6          2HB       HIS   6  22.646  -3.640  -0.247
  415    HD1  HIS   6           HD1      HIS   6  21.527  -6.361   1.972
  416    HD2  HIS   6           HD2      HIS   6  23.782  -2.884   2.279
  417    HE1  HIS   6           HE1      HIS   6  21.696  -5.884   4.436
  418    HE2  HIS   6           HE2      HIS   6  23.065  -3.776   4.599
  419    H    GLU   7           H        GLU   7  22.635  -5.053  -2.841
  420    HA   GLU   7           HA       GLU   7  21.050  -2.931  -3.707
  421   1HB   GLU   7          1HB       GLU   7  23.245  -3.993  -4.691
  422   2HB   GLU   7          2HB       GLU   7  22.119  -4.923  -5.671
  423   1HG   GLU   7          1HG       GLU   7  21.094  -2.579  -6.192
  424   2HG   GLU   7          2HG       GLU   7  22.682  -2.000  -5.687
  425    H    ASN   8           H        ASN   8  20.402  -6.326  -3.607
  426    HA   ASN   8           HA       ASN   8  18.292  -6.335  -5.531
  427   1HB   ASN   8          1HB       ASN   8  19.254  -8.248  -3.430
  428   2HB   ASN   8          2HB       ASN   8  17.691  -8.515  -4.198
  429   2HD2  ASN   8          2HD2      ASN   8  18.553 -10.466  -5.039
  430   1HD2  ASN   8          1HD2      ASN   8  19.576 -10.449  -6.432
  431    H    GLU   9           H        GLU   9  18.269  -6.578  -1.970
  432    HA   GLU   9           HA       GLU   9  15.513  -6.292  -1.641
  433   1HB   GLU   9          1HB       GLU   9  17.840  -6.334   0.039
  434   2HB   GLU   9          2HB       GLU   9  16.776  -5.035   0.560
  435   1HG   GLU   9          1HG       GLU   9  14.911  -6.734   0.561
  436   2HG   GLU   9          2HG       GLU   9  16.156  -7.965   0.355
  437    H    ILE  10           H        ILE  10  17.924  -3.986  -2.486
  438    HA   ILE  10           HA       ILE  10  16.572  -1.652  -1.603
  439    HB   ILE  10           HB       ILE  10  19.089  -2.251  -2.697
  440   1HG1  ILE  10          1HG1      ILE  10  18.685   0.586  -2.386
  441   2HG1  ILE  10          2HG1      ILE  10  17.871  -0.305  -1.105
  442   1HG2  ILE  10          1HG2      ILE  10  17.608  -0.377  -4.522
  443   2HG2  ILE  10          2HG2      ILE  10  19.363  -0.368  -4.360
  444   3HG2  ILE  10          3HG2      ILE  10  18.540  -1.811  -4.945
  445   1HD1  ILE  10          1HD1      ILE  10  20.253  -1.567  -1.145
  446   2HD1  ILE  10          2HD1      ILE  10  20.732   0.060  -1.631
  447   3HD1  ILE  10          3HD1      ILE  10  19.874  -0.190  -0.111
  448    H    SER  11           H        SER  11  16.915  -3.162  -4.813
  449    HA   SER  11           HA       SER  11  15.187  -1.374  -6.143
  450   1HB   SER  11          1HB       SER  11  15.383  -2.790  -8.010
  451   2HB   SER  11          2HB       SER  11  16.896  -3.032  -7.139
  452    HG   SER  11           HG       SER  11  16.149  -5.043  -7.598
  453    H    HIS  12           H        HIS  12  14.567  -4.077  -4.090
  454    HA   HIS  12           HA       HIS  12  11.910  -4.533  -5.096
  455   1HB   HIS  12          1HB       HIS  12  12.360  -6.523  -4.172
  456   2HB   HIS  12          2HB       HIS  12  13.758  -5.875  -3.333
  457    HD1  HIS  12           HD1      HIS  12   9.990  -6.105  -2.822
  458    HD2  HIS  12           HD2      HIS  12  13.524  -5.932  -0.649
  459    HE1  HIS  12           HE1      HIS  12   9.314  -6.416  -0.419
  460    HE2  HIS  12           HE2      HIS  12  11.471  -6.310   0.882
  461    H    HIS  13           H        HIS  13  13.359  -2.845  -2.333
  462    HA   HIS  13           HA       HIS  13  10.861  -2.202  -1.116
  463   1HB   HIS  13          1HB       HIS  13  13.441  -0.666  -0.813
  464   2HB   HIS  13          2HB       HIS  13  12.087  -0.709   0.304
  465    HD1  HIS  13           HD1      HIS  13  11.865  -3.921   0.190
  466    HD2  HIS  13           HD2      HIS  13  15.231  -1.640   1.021
  467    HE1  HIS  13           HE1      HIS  13  13.373  -5.418   1.540
  468    HE2  HIS  13           HE2      HIS  13  15.409  -4.017   2.031
  469    H    ALA  14           H        ALA  14  12.704  -0.880  -3.725
  470    HA   ALA  14           HA       ALA  14  11.508   1.723  -3.685
  471   1HB   ALA  14          1HB       ALA  14  13.573   0.392  -5.156
  472   2HB   ALA  14          2HB       ALA  14  13.244   2.119  -5.017
  473   3HB   ALA  14          3HB       ALA  14  12.458   1.170  -6.279
  474    H    LYS  15           H        LYS  15  11.119  -1.154  -5.747
  475    HA   LYS  15           HA       LYS  15   8.849  -0.059  -7.108
  476   1HB   LYS  15          1HB       LYS  15   9.961  -2.868  -6.981
  477   2HB   LYS  15          2HB       LYS  15   8.610  -2.393  -8.002
  478   1HG   LYS  15          1HG       LYS  15  10.458  -0.555  -8.725
  479   2HG   LYS  15          2HG       LYS  15  11.489  -1.934  -8.337
  480   1HD   LYS  15          1HD       LYS  15  10.689  -3.189 -10.059
  481   2HD   LYS  15          2HD       LYS  15   9.080  -2.469  -9.980
  482   1HE   LYS  15          1HE       LYS  15   9.658  -1.316 -11.800
  483   2HE   LYS  15          2HE       LYS  15  10.687  -0.360 -10.735
  484   1HZ   LYS  15          1HZ       LYS  15  11.782  -2.861 -11.771
  485   2HZ   LYS  15          2HZ       LYS  15  11.625  -1.576 -12.861
  486   3HZ   LYS  15          3HZ       LYS  15  12.555  -1.389 -11.461
  487    H    GLU  16           H        GLU  16   9.310  -1.511  -4.072
  488    HA   GLU  16           HA       GLU  16   6.637  -2.611  -3.893
  489   1HB   GLU  16          1HB       GLU  16   8.470  -3.786  -2.785
  490   2HB   GLU  16          2HB       GLU  16   8.826  -2.359  -1.822
  491   1HG   GLU  16          1HG       GLU  16   7.476  -3.164  -0.269
  492   2HG   GLU  16          2HG       GLU  16   6.129  -2.877  -1.369
  493    H    ILE  17           H        ILE  17   8.424   0.239  -2.847
  494    HA   ILE  17           HA       ILE  17   6.300   1.166  -1.128
  495    HB   ILE  17           HB       ILE  17   8.605   1.819  -0.663
  496   1HG1  ILE  17          1HG1      ILE  17   6.587   3.315  -0.141
  497   2HG1  ILE  17          2HG1      ILE  17   8.181   4.055  -0.070
  498   1HG2  ILE  17          1HG2      ILE  17   9.436   1.892  -2.956
  499   2HG2  ILE  17          2HG2      ILE  17   8.492   3.352  -3.255
  500   3HG2  ILE  17          3HG2      ILE  17   9.812   3.379  -2.086
  501   1HD1  ILE  17          1HD1      ILE  17   7.198   4.381  -2.704
  502   2HD1  ILE  17          2HD1      ILE  17   5.922   4.846  -1.580
  503   3HD1  ILE  17          3HD1      ILE  17   7.507   5.612  -1.481
  504    H    GLU  18           H        GLU  18   7.334   1.692  -4.443
  505    HA   GLU  18           HA       GLU  18   5.443   3.816  -4.903
  506   1HB   GLU  18          1HB       GLU  18   7.732   3.156  -6.141
  507   2HB   GLU  18          2HB       GLU  18   6.602   2.306  -7.186
  508   1HG   GLU  18          1HG       GLU  18   5.620   4.938  -6.697
  509   2HG   GLU  18          2HG       GLU  18   7.301   5.031  -7.220
  510    H    ARG  19           H        ARG  19   5.653   0.354  -5.537
  511    HA   ARG  19           HA       ARG  19   3.213   0.237  -7.024
  512   1HB   ARG  19          1HB       ARG  19   5.058  -1.435  -7.234
  513   2HB   ARG  19          2HB       ARG  19   4.667  -2.011  -5.620
  514   1HG   ARG  19          1HG       ARG  19   3.539  -3.521  -6.918
  515   2HG   ARG  19          2HG       ARG  19   2.277  -2.324  -6.622
  516   1HD   ARG  19          1HD       ARG  19   3.191  -1.248  -8.819
  517   2HD   ARG  19          2HD       ARG  19   3.844  -2.859  -9.107
  518    HE   ARG  19           HE       ARG  19   1.719  -3.610  -9.528
  519   1HH1  ARG  19          1HH1      ARG  19   1.555  -0.490  -7.990
  520   2HH1  ARG  19          2HH1      ARG  19  -0.151  -0.312  -8.240
  521   1HH2  ARG  19          1HH2      ARG  19  -0.526  -3.387  -9.862
  522   2HH2  ARG  19          2HH2      ARG  19  -1.334  -1.961  -9.304
  523    H    LEU  20           H        LEU  20   4.082   0.102  -3.662
  524    HA   LEU  20           HA       LEU  20   1.644  -1.078  -2.758
  525   1HB   LEU  20          1HB       LEU  20   3.955   0.300  -1.468
  526   2HB   LEU  20          2HB       LEU  20   2.469   0.138  -0.557
  527    HG   LEU  20           HG       LEU  20   3.833  -2.233  -1.810
  528   1HD1  LEU  20          1HD1      LEU  20   5.325  -0.971  -0.209
  529   2HD1  LEU  20          2HD1      LEU  20   4.149  -1.359   1.049
  530   3HD1  LEU  20          3HD1      LEU  20   4.994  -2.655   0.201
  531   1HD2  LEU  20          1HD2      LEU  20   1.454  -2.432  -1.149
  532   2HD2  LEU  20          2HD2      LEU  20   2.523  -3.496  -0.235
  533   3HD2  LEU  20          3HD2      LEU  20   1.911  -2.016   0.503
  534    H    GLN  21           H        GLN  21   2.871   2.217  -3.114
  535    HA   GLN  21           HA       GLN  21   0.722   3.565  -1.921
  536   1HB   GLN  21          1HB       GLN  21   2.838   4.669  -2.450
  537   2HB   GLN  21          2HB       GLN  21   2.535   4.463  -4.170
  538   1HG   GLN  21          1HG       GLN  21   0.785   6.026  -4.161
  539   2HG   GLN  21          2HG       GLN  21   0.668   6.005  -2.402
  540   2HE2  GLN  21          2HE2      GLN  21   2.502   6.875  -1.204
  541   1HE2  GLN  21          1HE2      GLN  21   3.398   8.186  -1.885
  542    H    LYS  22           H        LYS  22   1.285   2.644  -5.310
  543    HA   LYS  22           HA       LYS  22  -1.091   3.768  -6.331
  544   1HB   LYS  22          1HB       LYS  22   1.048   2.052  -7.294
  545   2HB   LYS  22          2HB       LYS  22  -0.511   1.581  -7.955
  546   1HG   LYS  22          1HG       LYS  22   0.648   4.357  -8.077
  547   2HG   LYS  22          2HG       LYS  22   0.691   3.175  -9.386
  548   1HD   LYS  22          1HD       LYS  22  -1.224   4.145 -10.043
  549   2HD   LYS  22          2HD       LYS  22  -1.959   3.197  -8.748
  550   1HE   LYS  22          1HE       LYS  22  -2.186   5.001  -7.369
  551   2HE   LYS  22          2HE       LYS  22  -0.780   5.827  -8.039
  552   1HZ   LYS  22          1HZ       LYS  22  -2.801   5.571 -10.004
  553   2HZ   LYS  22          2HZ       LYS  22  -3.437   6.308  -8.621
  554   3HZ   LYS  22          3HZ       LYS  22  -2.085   6.975  -9.390
  555    H    GLU  23           H        GLU  23  -0.375   0.694  -4.821
  556    HA   GLU  23           HA       GLU  23  -2.776  -0.628  -5.549
  557   1HB   GLU  23          1HB       GLU  23  -0.533  -1.108  -3.694
  558   2HB   GLU  23          2HB       GLU  23  -2.056  -1.855  -3.234
  559   1HG   GLU  23          1HG       GLU  23  -1.408  -2.236  -6.043
  560   2HG   GLU  23          2HG       GLU  23  -0.194  -2.901  -4.952
  561    H    ILE  24           H        ILE  24  -1.882   1.478  -2.883
  562    HA   ILE  24           HA       ILE  24  -4.183   0.964  -1.304
  563    HB   ILE  24           HB       ILE  24  -3.420   2.518   0.180
  564   1HG1  ILE  24          1HG1      ILE  24  -1.991   4.557  -0.615
  565   2HG1  ILE  24          2HG1      ILE  24  -2.687   4.207  -2.194
  566   1HG2  ILE  24          1HG2      ILE  24  -1.483   1.018  -0.837
  567   2HG2  ILE  24          2HG2      ILE  24  -0.810   2.602  -1.208
  568   3HG2  ILE  24          3HG2      ILE  24  -1.199   2.181   0.457
  569   1HD1  ILE  24          1HD1      ILE  24  -4.777   4.206  -0.268
  570   2HD1  ILE  24          2HD1      ILE  24  -3.814   5.671  -0.067
  571   3HD1  ILE  24          3HD1      ILE  24  -4.526   5.293  -1.636
  572    H    GLU  25           H        GLU  25  -3.409   3.349  -3.783
  573    HA   GLU  25           HA       GLU  25  -5.706   4.934  -3.579
  574   1HB   GLU  25          1HB       GLU  25  -3.510   5.176  -5.025
  575   2HB   GLU  25          2HB       GLU  25  -4.488   4.384  -6.253
  576   1HG   GLU  25          1HG       GLU  25  -5.950   6.156  -6.425
  577   2HG   GLU  25          2HG       GLU  25  -5.563   6.766  -4.818
  578    H    ARG  26           H        ARG  26  -5.065   2.019  -5.493
  579    HA   ARG  26           HA       ARG  26  -7.450   1.909  -6.921
  580   1HB   ARG  26          1HB       ARG  26  -5.237   0.191  -6.437
  581   2HB   ARG  26          2HB       ARG  26  -6.701  -0.743  -6.155
  582   1HG   ARG  26          1HG       ARG  26  -5.942  -0.949  -8.458
  583   2HG   ARG  26          2HG       ARG  26  -7.519  -0.162  -8.373
  584   1HD   ARG  26          1HD       ARG  26  -6.220   2.039  -8.431
  585   2HD   ARG  26          2HD       ARG  26  -4.834   1.069  -8.928
  586    HE   ARG  26           HE       ARG  26  -6.951   0.408 -10.604
  587   1HH1  ARG  26          1HH1      ARG  26  -4.998   3.191  -9.851
  588   2HH1  ARG  26          2HH1      ARG  26  -5.144   3.883 -11.432
  589   1HH2  ARG  26          1HH2      ARG  26  -7.150   1.310 -12.690
  590   2HH2  ARG  26          2HH2      ARG  26  -6.368   2.813 -13.046
  591    H    HIS  27           H        HIS  27  -6.659   0.494  -3.755
  592    HA   HIS  27           HA       HIS  27  -9.228  -0.587  -3.284
  593   1HB   HIS  27          1HB       HIS  27  -6.817  -0.024  -1.625
  594   2HB   HIS  27          2HB       HIS  27  -8.339  -0.310  -0.788
  595    HD1  HIS  27           HD1      HIS  27  -9.545  -2.665  -1.485
  596    HD2  HIS  27           HD2      HIS  27  -5.491  -2.289  -2.315
  597    HE1  HIS  27           HE1      HIS  27  -8.709  -5.011  -1.827
  598    HE2  HIS  27           HE2      HIS  27  -6.253  -4.761  -2.330
  599    H    LYS  28           H        LYS  28  -7.933   2.602  -3.014
  600    HA   LYS  28           HA       LYS  28  -9.851   3.623  -1.165
  601   1HB   LYS  28          1HB       LYS  28  -7.550   4.600  -1.768
  602   2HB   LYS  28          2HB       LYS  28  -8.345   5.268  -3.187
  603   1HG   LYS  28          1HG       LYS  28  -9.985   5.966  -1.046
  604   2HG   LYS  28          2HG       LYS  28  -8.335   6.216  -0.470
  605   1HD   LYS  28          1HD       LYS  28  -8.495   8.202  -1.504
  606   2HD   LYS  28          2HD       LYS  28  -8.213   7.276  -2.979
  607   1HE   LYS  28          1HE       LYS  28 -10.409   7.370  -3.622
  608   2HE   LYS  28          2HE       LYS  28 -11.001   7.506  -1.967
  609   1HZ   LYS  28          1HZ       LYS  28  -9.480   9.775  -2.488
  610   2HZ   LYS  28          2HZ       LYS  28 -10.493   9.558  -3.825
  611   3HZ   LYS  28          3HZ       LYS  28 -11.154   9.679  -2.273
  612    H    GLN  29           H        GLN  29  -9.681   3.277  -4.640
  613    HA   GLN  29           HA       GLN  29 -11.955   4.943  -5.178
  614   1HB   GLN  29          1HB       GLN  29  -9.933   4.100  -6.720
  615   2HB   GLN  29          2HB       GLN  29 -11.119   2.870  -7.132
  616   1HG   GLN  29          1HG       GLN  29 -11.996   4.277  -8.590
  617   2HG   GLN  29          2HG       GLN  29 -12.486   5.306  -7.246
  618   2HE2  GLN  29          2HE2      GLN  29 -10.921   5.305 -10.097
  619   1HE2  GLN  29          1HE2      GLN  29  -9.862   6.651  -9.866
  620    H    SER  30           H        SER  30 -11.391   1.544  -4.576
  621    HA   SER  30           HA       SER  30 -13.992   0.686  -5.412
  622   1HB   SER  30          1HB       SER  30 -13.381  -1.465  -4.419
  623   2HB   SER  30          2HB       SER  30 -12.048  -0.842  -5.390
  624    HG   SER  30           HG       SER  30 -12.228  -0.432  -2.595
  625    H    ILE  31           H        ILE  31 -12.521   1.678  -2.386
  626    HA   ILE  31           HA       ILE  31 -14.706   0.884  -0.725
  627    HB   ILE  31           HB       ILE  31 -12.484   1.124   0.210
  628   1HG1  ILE  31          1HG1      ILE  31 -13.016   2.596   2.160
  629   2HG1  ILE  31          2HG1      ILE  31 -14.458   3.136   1.302
  630   1HG2  ILE  31          1HG2      ILE  31 -12.755   4.052  -0.453
  631   2HG2  ILE  31          2HG2      ILE  31 -11.453   3.338   0.499
  632   3HG2  ILE  31          3HG2      ILE  31 -11.643   2.907  -1.199
  633   1HD1  ILE  31          1HD1      ILE  31 -15.146   0.704   1.225
  634   2HD1  ILE  31          2HD1      ILE  31 -13.845   0.410   2.378
  635   3HD1  ILE  31          3HD1      ILE  31 -15.172   1.486   2.806
  636    H    LYS  32           H        LYS  32 -13.810   3.827  -2.426
  637    HA   LYS  32           HA       LYS  32 -15.837   5.436  -1.183
  638   1HB   LYS  32          1HB       LYS  32 -14.000   5.832  -3.535
  639   2HB   LYS  32          2HB       LYS  32 -15.261   6.997  -3.153
  640   1HG   LYS  32          1HG       LYS  32 -13.077   6.150  -1.263
  641   2HG   LYS  32          2HG       LYS  32 -13.056   7.614  -2.246
  642   1HD   LYS  32          1HD       LYS  32 -15.357   8.073  -1.103
  643   2HD   LYS  32          2HD       LYS  32 -14.768   6.930   0.105
  644   1HE   LYS  32          1HE       LYS  32 -12.871   8.293   0.578
  645   2HE   LYS  32          2HE       LYS  32 -13.210   9.343  -0.797
  646   1HZ   LYS  32          1HZ       LYS  32 -15.489   9.493   0.636
  647   2HZ   LYS  32          2HZ       LYS  32 -14.324   9.378   1.857
  648   3HZ   LYS  32          3HZ       LYS  32 -14.227  10.616   0.708
  649    H    LYS  33           H        LYS  33 -15.551   3.513  -4.096
  650    HA   LYS  33           HA       LYS  33 -17.969   4.456  -5.294
  651   1HB   LYS  33          1HB       LYS  33 -16.030   2.253  -5.836
  652   2HB   LYS  33          2HB       LYS  33 -17.625   2.154  -6.568
  653   1HG   LYS  33          1HG       LYS  33 -17.297   4.083  -7.835
  654   2HG   LYS  33          2HG       LYS  33 -15.947   4.620  -6.833
  655   1HD   LYS  33          1HD       LYS  33 -14.522   3.611  -8.207
  656   2HD   LYS  33          2HD       LYS  33 -15.301   2.061  -7.882
  657   1HE   LYS  33          1HE       LYS  33 -16.226   4.057  -9.946
  658   2HE   LYS  33          2HE       LYS  33 -15.229   2.644 -10.292
  659   1HZ   LYS  33          1HZ       LYS  33 -17.053   1.271  -9.347
  660   2HZ   LYS  33          2HZ       LYS  33 -18.010   2.662  -9.256
  661   3HZ   LYS  33          3HZ       LYS  33 -17.481   2.097 -10.760
  662    H    LEU  34           H        LEU  34 -17.097   1.893  -3.088
  663    HA   LEU  34           HA       LEU  34 -19.534   0.436  -3.286
  664   1HB   LEU  34          1HB       LEU  34 -17.082   0.049  -2.065
  665   2HB   LEU  34          2HB       LEU  34 -18.171   0.269  -0.712
  666    HG   LEU  34           HG       LEU  34 -18.172  -2.031  -1.007
  667   1HD1  LEU  34          1HD1      LEU  34 -20.506  -0.640  -1.665
  668   2HD1  LEU  34          2HD1      LEU  34 -20.401  -1.967  -2.820
  669   3HD1  LEU  34          3HD1      LEU  34 -20.371  -2.301  -1.089
  670   1HD2  LEU  34          1HD2      LEU  34 -17.246  -1.447  -3.557
  671   2HD2  LEU  34          2HD2      LEU  34 -17.479  -3.048  -2.855
  672   3HD2  LEU  34          3HD2      LEU  34 -18.758  -2.314  -3.822
  673    H    LYS  35           H        LYS  35 -18.338   2.964  -1.116
  674    HA   LYS  35           HA       LYS  35 -20.553   2.970   0.634
  675   1HB   LYS  35          1HB       LYS  35 -18.124   4.226   0.579
  676   2HB   LYS  35          2HB       LYS  35 -19.216   5.557   0.222
  677   1HG   LYS  35          1HG       LYS  35 -18.749   5.364   2.613
  678   2HG   LYS  35          2HG       LYS  35 -20.459   5.122   2.255
  679   1HD   LYS  35          1HD       LYS  35 -20.429   3.053   3.093
  680   2HD   LYS  35          2HD       LYS  35 -18.977   2.632   2.184
  681   1HE   LYS  35          1HE       LYS  35 -18.251   2.429   4.366
  682   2HE   LYS  35          2HE       LYS  35 -17.762   4.075   3.971
  683   1HZ   LYS  35          1HZ       LYS  35 -19.909   4.802   5.001
  684   2HZ   LYS  35          2HZ       LYS  35 -20.106   3.220   5.570
  685   3HZ   LYS  35          3HZ       LYS  35 -18.784   4.145   6.082
  686    H    GLN  36           H        GLN  36 -19.865   4.705  -2.359
  687    HA   GLN  36           HA       GLN  36 -22.210   6.346  -2.210
  688   1HB   GLN  36          1HB       GLN  36 -20.300   7.153  -3.444
  689   2HB   GLN  36          2HB       GLN  36 -20.311   5.732  -4.479
  690   1HG   GLN  36          1HG       GLN  36 -22.029   6.494  -5.748
  691   2HG   GLN  36          2HG       GLN  36 -22.765   7.386  -4.418
  692   2HE2  GLN  36          2HE2      GLN  36 -22.953   9.377  -5.229
  693   1HE2  GLN  36          1HE2      GLN  36 -21.647  10.327  -5.841
  694    H    SER  37           H        SER  37 -21.466   3.185  -3.407
  695    HA   SER  37           HA       SER  37 -23.783   2.988  -5.105
  696   1HB   SER  37          1HB       SER  37 -21.485   1.284  -4.403
  697   2HB   SER  37          2HB       SER  37 -22.982   0.405  -4.710
  698    HG   SER  37           HG       SER  37 -22.493   0.673  -6.731
  699    H    GLU  38           H        GLU  38 -23.022   2.388  -1.784
  700    HA   GLU  38           HA       GLU  38 -25.236   0.637  -1.274
  701   1HB   GLU  38          1HB       GLU  38 -22.930   1.449   0.114
  702   2HB   GLU  38          2HB       GLU  38 -24.288   2.005   1.083
  703   1HG   GLU  38          1HG       GLU  38 -25.200  -0.252   1.122
  704   2HG   GLU  38          2HG       GLU  38 -23.860  -0.816   0.125
  705    H    ASP  39           H        ASP  39 -24.729   4.061  -1.356
  706    HA   ASP  39           HA       ASP  39 -26.987   4.787   0.231
  707   1HB   ASP  39          1HB       ASP  39 -24.827   6.150  -0.672
  708   2HB   ASP  39          2HB       ASP  39 -26.041   6.688  -1.829
  709    H    ASP  40           H        ASP  40 -26.488   3.977  -3.112
  710    HA   ASP  40           HA       ASP  40 -27.877   3.870  -4.916
  711   1HB   ASP  40          1HB       ASP  40 -29.763   3.249  -2.644
  712   2HB   ASP  40          2HB       ASP  40 -30.253   3.147  -4.332
  713    H    ASP  41           H        ASP  41 -27.674   6.049  -5.544
  714    HA   ASP  41           HA       ASP  41 -30.098   7.640  -5.054
  715   1HB   ASP  41          1HB       ASP  41 -28.479   9.665  -5.304
  716   2HB   ASP  41          2HB       ASP  41 -28.576   8.831  -3.756

  No H/Q in entry =         716
  Start of MODEL    9
    1    H1   ALA   1           H1       ALA   1 -31.414  -5.491   8.892
    2    H2   ALA   1           H2       ALA   1 -31.486  -4.533  10.314
    3    H3   ALA   1           H3       ALA   1 -32.671  -4.342   9.087
    4    HA   ALA   1           HA       ALA   1 -31.148  -2.564   8.997
    5   1HB   ALA   1          1HB       ALA   1 -29.098  -2.998   9.770
    6   2HB   ALA   1          2HB       ALA   1 -29.233  -4.720   9.419
    7   3HB   ALA   1          3HB       ALA   1 -28.752  -3.597   8.148
    8    H    LEU   2           H        LEU   2 -30.913  -1.578   7.032
    9    HA   LEU   2           HA       LEU   2 -31.605  -3.215   4.705
   10   1HB   LEU   2          1HB       LEU   2 -32.584  -0.814   5.584
   11   2HB   LEU   2          2HB       LEU   2 -31.434  -0.305   4.362
   12    HG   LEU   2           HG       LEU   2 -32.585  -1.856   2.751
   13   1HD1  LEU   2          1HD1      LEU   2 -34.020  -2.532   5.162
   14   2HD1  LEU   2          2HD1      LEU   2 -35.118  -2.014   3.885
   15   3HD1  LEU   2          3HD1      LEU   2 -33.998  -3.346   3.598
   16   1HD2  LEU   2          1HD2      LEU   2 -33.036   0.690   3.202
   17   2HD2  LEU   2          2HD2      LEU   2 -34.072  -0.231   2.112
   18   3HD2  LEU   2          3HD2      LEU   2 -34.597   0.093   3.763
   19    H    LYS   3           H        LYS   3 -30.340  -3.372   2.908
   20    HA   LYS   3           HA       LYS   3 -28.413  -3.455   1.700
   21   1HB   LYS   3          1HB       LYS   3 -28.397  -0.612   2.687
   22   2HB   LYS   3          2HB       LYS   3 -27.132  -1.227   1.632
   23   1HG   LYS   3          1HG       LYS   3 -28.467  -0.496  -0.006
   24   2HG   LYS   3          2HG       LYS   3 -29.344  -2.001   0.278
   25   1HD   LYS   3          1HD       LYS   3 -31.021  -0.943   1.485
   26   2HD   LYS   3          2HD       LYS   3 -30.011   0.458   1.849
   27   1HE   LYS   3          1HE       LYS   3 -30.049   0.888  -0.681
   28   2HE   LYS   3          2HE       LYS   3 -31.398  -0.247  -0.717
   29   1HZ   LYS   3          1HZ       LYS   3 -31.387   2.080   1.106
   30   2HZ   LYS   3          2HZ       LYS   3 -31.935   2.213  -0.490
   31   3HZ   LYS   3          3HZ       LYS   3 -32.704   1.157   0.585
   32    H    LYS   4           H        LYS   4 -28.313  -4.374   4.446
   33    HA   LYS   4           HA       LYS   4 -25.990  -3.547   5.784
   34   1HB   LYS   4          1HB       LYS   4 -28.017  -5.378   6.251
   35   2HB   LYS   4          2HB       LYS   4 -26.585  -6.386   6.104
   36   1HG   LYS   4          1HG       LYS   4 -26.131  -4.049   7.768
   37   2HG   LYS   4          2HG       LYS   4 -27.434  -5.076   8.370
   38   1HD   LYS   4          1HD       LYS   4 -26.007  -6.970   8.480
   39   2HD   LYS   4          2HD       LYS   4 -24.737  -6.149   7.569
   40   1HE   LYS   4          1HE       LYS   4 -25.175  -4.479   9.722
   41   2HE   LYS   4          2HE       LYS   4 -25.329  -6.093  10.417
   42   1HZ   LYS   4          1HZ       LYS   4 -23.166  -6.647   9.438
   43   2HZ   LYS   4          2HZ       LYS   4 -23.017  -5.062   8.865
   44   3HZ   LYS   4          3HZ       LYS   4 -23.055  -5.360  10.530
   45    H    HIS   5           H        HIS   5 -26.507  -5.946   3.260
   46    HA   HIS   5           HA       HIS   5 -24.051  -7.247   3.331
   47   1HB   HIS   5          1HB       HIS   5 -24.491  -7.507   0.779
   48   2HB   HIS   5          2HB       HIS   5 -25.618  -8.235   1.920
   49    HD1  HIS   5           HD1      HIS   5 -28.010  -7.393   1.901
   50    HD2  HIS   5           HD2      HIS   5 -25.481  -5.178  -0.543
   51    HE1  HIS   5           HE1      HIS   5 -29.517  -5.895   0.557
   52    HE2  HIS   5           HE2      HIS   5 -27.966  -4.562  -0.916
   53    H    HIS   6           H        HIS   6 -24.993  -4.324   1.547
   54    HA   HIS   6           HA       HIS   6 -22.552  -3.901   0.240
   55   1HB   HIS   6          1HB       HIS   6 -25.026  -2.516   0.544
   56   2HB   HIS   6          2HB       HIS   6 -23.722  -1.376   0.865
   57    HD1  HIS   6           HD1      HIS   6 -23.360  -4.142  -1.649
   58    HD2  HIS   6           HD2      HIS   6 -24.003  -0.037  -1.552
   59    HE1  HIS   6           HE1      HIS   6 -23.084  -3.361  -4.023
   60    HE2  HIS   6           HE2      HIS   6 -23.477  -0.874  -3.941
   61    H    GLU   7           H        GLU   7 -23.747  -2.651   3.345
   62    HA   GLU   7           HA       GLU   7 -21.560  -1.050   3.990
   63   1HB   GLU   7          1HB       GLU   7 -23.825  -1.268   5.185
   64   2HB   GLU   7          2HB       GLU   7 -23.105  -2.626   6.038
   65   1HG   GLU   7          1HG       GLU   7 -21.335  -1.140   6.870
   66   2HG   GLU   7          2HG       GLU   7 -22.116   0.216   6.057
   67    H    ASN   8           H        ASN   8 -21.916  -4.488   4.009
   68    HA   ASN   8           HA       ASN   8 -19.758  -5.069   5.781
   69   1HB   ASN   8          1HB       ASN   8 -21.705  -6.550   4.283
   70   2HB   ASN   8          2HB       ASN   8 -20.107  -7.219   3.962
   71   2HD2  ASN   8          2HD2      ASN   8 -21.346  -9.021   5.094
   72   1HD2  ASN   8          1HD2      ASN   8 -21.143  -9.117   6.807
   73    H    GLU   9           H        GLU   9 -20.060  -5.371   2.237
   74    HA   GLU   9           HA       GLU   9 -17.362  -5.889   1.727
   75   1HB   GLU   9          1HB       GLU   9 -19.530  -5.891   0.185
   76   2HB   GLU   9          2HB       GLU   9 -18.932  -4.295  -0.243
   77   1HG   GLU   9          1HG       GLU   9 -18.013  -5.685  -1.854
   78   2HG   GLU   9          2HG       GLU   9 -16.701  -5.460  -0.698
   79    H    ILE  10           H        ILE  10 -18.968  -2.972   2.592
   80    HA   ILE  10           HA       ILE  10 -17.046  -1.164   1.520
   81    HB   ILE  10           HB       ILE  10 -19.591  -0.974   2.740
   82   1HG1  ILE  10          1HG1      ILE  10 -18.431   1.595   2.098
   83   2HG1  ILE  10          2HG1      ILE  10 -18.018   0.387   0.884
   84   1HG2  ILE  10          1HG2      ILE  10 -17.536   0.582   4.286
   85   2HG2  ILE  10          2HG2      ILE  10 -19.233   1.056   4.201
   86   3HG2  ILE  10          3HG2      ILE  10 -18.788  -0.500   4.901
   87   1HD1  ILE  10          1HD1      ILE  10 -20.674  -0.081   1.260
   88   2HD1  ILE  10          2HD1      ILE  10 -20.571   1.668   1.471
   89   3HD1  ILE  10          3HD1      ILE  10 -19.984   0.924  -0.016
   90    H    SER  11           H        SER  11 -17.678  -2.412   4.794
   91    HA   SER  11           HA       SER  11 -15.533  -1.104   6.051
   92   1HB   SER  11          1HB       SER  11 -16.713  -3.765   6.869
   93   2HB   SER  11          2HB       SER  11 -15.907  -2.587   7.905
   94    HG   SER  11           HG       SER  11 -17.985  -2.128   8.224
   95    H    HIS  12           H        HIS  12 -15.702  -4.027   4.161
   96    HA   HIS  12           HA       HIS  12 -13.198  -5.084   5.001
   97   1HB   HIS  12          1HB       HIS  12 -14.161  -6.854   4.019
   98   2HB   HIS  12          2HB       HIS  12 -15.345  -5.836   3.219
   99    HD1  HIS  12           HD1      HIS  12 -11.833  -7.168   2.665
  100    HD2  HIS  12           HD2      HIS  12 -15.074  -5.697   0.525
  101    HE1  HIS  12           HE1      HIS  12 -11.251  -7.518   0.243
  102    HE2  HIS  12           HE2      HIS  12 -13.229  -6.624  -1.037
  103    H    HIS  13           H        HIS  13 -14.221  -3.155   2.179
  104    HA   HIS  13           HA       HIS  13 -11.669  -3.033   0.977
  105   1HB   HIS  13          1HB       HIS  13 -13.850  -0.947   0.814
  106   2HB   HIS  13          2HB       HIS  13 -12.516  -1.162  -0.311
  107    HD1  HIS  13           HD1      HIS  13 -12.903  -4.351  -0.444
  108    HD2  HIS  13           HD2      HIS  13 -15.777  -1.427  -1.086
  109    HE1  HIS  13           HE1      HIS  13 -14.654  -5.441  -1.886
  110    HE2  HIS  13           HE2      HIS  13 -16.391  -3.653  -2.261
  111    H    ALA  14           H        ALA  14 -13.115  -1.344   3.637
  112    HA   ALA  14           HA       ALA  14 -11.410   0.910   3.690
  113   1HB   ALA  14          1HB       ALA  14 -12.105   1.001   6.133
  114   2HB   ALA  14          2HB       ALA  14 -13.404   1.061   4.941
  115   3HB   ALA  14          3HB       ALA  14 -13.068  -0.440   5.805
  116    H    LYS  15           H        LYS  15 -11.321  -2.158   5.498
  117    HA   LYS  15           HA       LYS  15  -8.854  -1.623   6.777
  118   1HB   LYS  15          1HB       LYS  15 -10.785  -3.673   6.819
  119   2HB   LYS  15          2HB       LYS  15  -9.273  -4.446   6.363
  120   1HG   LYS  15          1HG       LYS  15  -8.211  -3.795   8.350
  121   2HG   LYS  15          2HG       LYS  15  -9.468  -2.616   8.730
  122   1HD   LYS  15          1HD       LYS  15 -10.246  -4.240  10.082
  123   2HD   LYS  15          2HD       LYS  15 -10.928  -4.896   8.593
  124   1HE   LYS  15          1HE       LYS  15  -8.494  -5.982   8.449
  125   2HE   LYS  15          2HE       LYS  15  -8.619  -5.823  10.202
  126   1HZ   LYS  15          1HZ       LYS  15 -10.873  -6.999   8.744
  127   2HZ   LYS  15          2HZ       LYS  15  -9.489  -7.944   8.976
  128   3HZ   LYS  15          3HZ       LYS  15 -10.319  -7.317  10.311
  129    H    GLU  16           H        GLU  16  -9.672  -2.634   3.591
  130    HA   GLU  16           HA       GLU  16  -7.205  -3.927   2.967
  131   1HB   GLU  16          1HB       GLU  16  -9.405  -2.804   1.231
  132   2HB   GLU  16          2HB       GLU  16  -8.003  -3.652   0.594
  133   1HG   GLU  16          1HG       GLU  16  -9.696  -4.953   2.675
  134   2HG   GLU  16          2HG       GLU  16 -10.230  -4.923   0.995
  135    H    ILE  17           H        ILE  17  -8.499  -0.649   2.445
  136    HA   ILE  17           HA       ILE  17  -6.206   0.240   1.000
  137    HB   ILE  17           HB       ILE  17  -8.196   1.441   0.592
  138   1HG1  ILE  17          1HG1      ILE  17  -7.293   3.638   2.226
  139   2HG1  ILE  17          2HG1      ILE  17  -5.909   2.783   1.558
  140   1HG2  ILE  17          1HG2      ILE  17  -8.419   1.674   3.571
  141   2HG2  ILE  17          2HG2      ILE  17  -9.328   2.723   2.484
  142   3HG2  ILE  17          3HG2      ILE  17  -9.563   0.977   2.423
  143   1HD1  ILE  17          1HD1      ILE  17  -7.532   2.985  -0.614
  144   2HD1  ILE  17          2HD1      ILE  17  -7.883   4.484   0.248
  145   3HD1  ILE  17          3HD1      ILE  17  -6.225   4.098  -0.212
  146    H    GLU  18           H        GLU  18  -7.184   0.331   4.389
  147    HA   GLU  18           HA       GLU  18  -5.016   1.975   5.244
  148   1HB   GLU  18          1HB       GLU  18  -7.198   0.452   6.517
  149   2HB   GLU  18          2HB       GLU  18  -5.745   0.620   7.492
  150   1HG   GLU  18          1HG       GLU  18  -5.978   3.147   6.755
  151   2HG   GLU  18          2HG       GLU  18  -7.669   2.681   6.577
  152    H    ARG  19           H        ARG  19  -5.481  -1.439   4.742
  153    HA   ARG  19           HA       ARG  19  -3.202  -2.304   6.223
  154   1HB   ARG  19          1HB       ARG  19  -5.070  -3.811   5.743
  155   2HB   ARG  19          2HB       ARG  19  -4.744  -3.686   4.020
  156   1HG   ARG  19          1HG       ARG  19  -2.572  -4.749   4.348
  157   2HG   ARG  19          2HG       ARG  19  -2.888  -4.864   6.080
  158   1HD   ARG  19          1HD       ARG  19  -4.474  -6.185   3.881
  159   2HD   ARG  19          2HD       ARG  19  -3.348  -6.983   4.976
  160    HE   ARG  19           HE       ARG  19  -5.218  -5.738   6.577
  161   1HH1  ARG  19          1HH1      ARG  19  -5.217  -8.176   4.090
  162   2HH1  ARG  19          2HH1      ARG  19  -6.594  -9.011   4.725
  163   1HH2  ARG  19          1HH2      ARG  19  -7.032  -6.831   7.424
  164   2HH2  ARG  19          2HH2      ARG  19  -7.627  -8.246   6.622
  165    H    LEU  20           H        LEU  20  -3.800  -1.555   2.812
  166    HA   LEU  20           HA       LEU  20  -1.205  -2.347   1.945
  167   1HB   LEU  20          1HB       LEU  20  -3.495  -0.863   0.735
  168   2HB   LEU  20          2HB       LEU  20  -1.929  -0.781  -0.048
  169    HG   LEU  20           HG       LEU  20  -3.187  -2.510  -1.108
  170   1HD1  LEU  20          1HD1      LEU  20  -0.766  -2.920  -0.602
  171   2HD1  LEU  20          2HD1      LEU  20  -1.289  -3.899   0.769
  172   3HD1  LEU  20          3HD1      LEU  20  -1.731  -4.371  -0.872
  173   1HD2  LEU  20          1HD2      LEU  20  -3.811  -3.329   1.693
  174   2HD2  LEU  20          2HD2      LEU  20  -4.889  -3.136   0.311
  175   3HD2  LEU  20          3HD2      LEU  20  -3.822  -4.536   0.407
  176    H    GLN  21           H        GLN  21  -2.557   0.533   3.318
  177    HA   GLN  21           HA       GLN  21  -0.461   2.293   2.469
  178   1HB   GLN  21          1HB       GLN  21  -2.960   2.644   3.584
  179   2HB   GLN  21          2HB       GLN  21  -1.885   3.054   4.913
  180   1HG   GLN  21          1HG       GLN  21  -1.008   4.873   3.830
  181   2HG   GLN  21          2HG       GLN  21  -1.377   4.234   2.230
  182   2HE2  GLN  21          2HE2      GLN  21  -3.364   4.769   5.116
  183   1HE2  GLN  21          1HE2      GLN  21  -4.531   5.777   4.338
  184    H    LYS  22           H        LYS  22  -1.082   0.267   5.263
  185    HA   LYS  22           HA       LYS  22   1.069   1.296   6.836
  186   1HB   LYS  22          1HB       LYS  22  -1.065  -0.509   7.217
  187   2HB   LYS  22          2HB       LYS  22   0.407  -1.429   7.500
  188   1HG   LYS  22          1HG       LYS  22   0.042   1.240   8.790
  189   2HG   LYS  22          2HG       LYS  22  -0.737  -0.192   9.466
  190   1HD   LYS  22          1HD       LYS  22   2.213  -0.005   8.875
  191   2HD   LYS  22          2HD       LYS  22   1.503   0.349  10.451
  192   1HE   LYS  22          1HE       LYS  22   0.486  -2.151   9.586
  193   2HE   LYS  22          2HE       LYS  22   2.232  -2.172   9.344
  194   1HZ   LYS  22          1HZ       LYS  22   1.404  -1.067  11.875
  195   2HZ   LYS  22          2HZ       LYS  22   0.994  -2.695  11.675
  196   3HZ   LYS  22          3HZ       LYS  22   2.608  -2.205  11.532
  197    H    GLU  23           H        GLU  23   0.691  -1.202   4.432
  198    HA   GLU  23           HA       GLU  23   3.160  -2.526   4.920
  199   1HB   GLU  23          1HB       GLU  23   1.505  -2.448   2.391
  200   2HB   GLU  23          2HB       GLU  23   2.783  -3.600   2.750
  201   1HG   GLU  23          1HG       GLU  23   0.748  -3.521   4.817
  202   2HG   GLU  23          2HG       GLU  23   0.095  -3.935   3.232
  203    H    ILE  24           H        ILE  24   2.161  -0.101   2.494
  204    HA   ILE  24           HA       ILE  24   4.721   0.107   1.307
  205    HB   ILE  24           HB       ILE  24   2.968   0.930  -0.018
  206   1HG1  ILE  24          1HG1      ILE  24   4.045   3.536   1.031
  207   2HG1  ILE  24          2HG1      ILE  24   5.071   2.414   0.143
  208   1HG2  ILE  24          1HG2      ILE  24   1.884   1.815   2.461
  209   2HG2  ILE  24          2HG2      ILE  24   1.854   3.137   1.298
  210   3HG2  ILE  24          3HG2      ILE  24   1.086   1.598   0.906
  211   1HD1  ILE  24          1HD1      ILE  24   3.264   2.512  -1.670
  212   2HD1  ILE  24          2HD1      ILE  24   2.687   3.944  -0.816
  213   3HD1  ILE  24          3HD1      ILE  24   4.325   3.908  -1.470
  214    H    GLU  25           H        GLU  25   3.306   1.460   4.168
  215    HA   GLU  25           HA       GLU  25   5.053   3.645   4.535
  216   1HB   GLU  25          1HB       GLU  25   2.956   3.399   5.784
  217   2HB   GLU  25          2HB       GLU  25   3.600   1.982   6.601
  218   1HG   GLU  25          1HG       GLU  25   5.296   3.335   7.674
  219   2HG   GLU  25          2HG       GLU  25   4.732   4.762   6.807
  220    H    ARG  26           H        ARG  26   5.159   0.298   5.751
  221    HA   ARG  26           HA       ARG  26   7.603   0.599   7.149
  222   1HB   ARG  26          1HB       ARG  26   6.134  -1.224   7.701
  223   2HB   ARG  26          2HB       ARG  26   6.209  -1.847   6.058
  224   1HG   ARG  26          1HG       ARG  26   8.663  -2.225   6.420
  225   2HG   ARG  26          2HG       ARG  26   8.395  -1.835   8.120
  226   1HD   ARG  26          1HD       ARG  26   6.442  -3.739   7.279
  227   2HD   ARG  26          2HD       ARG  26   8.041  -4.316   6.815
  228    HE   ARG  26           HE       ARG  26   8.415  -3.565   9.370
  229   1HH1  ARG  26          1HH1      ARG  26   6.006  -5.556   7.835
  230   2HH1  ARG  26          2HH1      ARG  26   5.754  -6.552   9.230
  231   1HH2  ARG  26          1HH2      ARG  26   8.092  -4.870  11.212
  232   2HH2  ARG  26          2HH2      ARG  26   6.940  -6.162  11.151
  233    H    HIS  27           H        HIS  27   6.819  -0.418   3.868
  234    HA   HIS  27           HA       HIS  27   9.478  -1.166   3.176
  235   1HB   HIS  27          1HB       HIS  27   6.888  -0.890   1.776
  236   2HB   HIS  27          2HB       HIS  27   8.323  -0.691   0.775
  237    HD1  HIS  27           HD1      HIS  27  10.164  -2.787   1.314
  238    HD2  HIS  27           HD2      HIS  27   6.098  -3.463   1.840
  239    HE1  HIS  27           HE1      HIS  27   9.883  -5.286   1.247
  240    HE2  HIS  27           HE2      HIS  27   7.415  -5.673   1.568
  241    H    LYS  28           H        LYS  28   7.839   1.841   3.419
  242    HA   LYS  28           HA       LYS  28   9.511   3.249   1.548
  243   1HB   LYS  28          1HB       LYS  28   7.107   3.858   2.306
  244   2HB   LYS  28          2HB       LYS  28   7.890   4.557   3.716
  245   1HG   LYS  28          1HG       LYS  28   9.147   5.425   1.261
  246   2HG   LYS  28          2HG       LYS  28   7.422   5.799   1.288
  247   1HD   LYS  28          1HD       LYS  28   9.151   6.405   3.657
  248   2HD   LYS  28          2HD       LYS  28   9.098   7.507   2.280
  249   1HE   LYS  28          1HE       LYS  28   6.440   6.974   2.765
  250   2HE   LYS  28          2HE       LYS  28   7.136   7.042   4.383
  251   1HZ   LYS  28          1HZ       LYS  28   8.077   9.162   2.715
  252   2HZ   LYS  28          2HZ       LYS  28   6.390   9.177   2.855
  253   3HZ   LYS  28          3HZ       LYS  28   7.355   9.235   4.243
  254    H    GLN  29           H        GLN  29   9.409   2.708   5.017
  255    HA   GLN  29           HA       GLN  29  11.524   4.556   5.601
  256   1HB   GLN  29          1HB       GLN  29   9.725   3.802   7.221
  257   2HB   GLN  29          2HB       GLN  29  10.579   2.269   7.329
  258   1HG   GLN  29          1HG       GLN  29  12.609   3.913   7.860
  259   2HG   GLN  29          2HG       GLN  29  11.279   4.917   8.433
  260   2HE2  GLN  29          2HE2      GLN  29  13.474   3.472   9.835
  261   1HE2  GLN  29          1HE2      GLN  29  12.682   2.509  11.032
  262    H    SER  30           H        SER  30  11.288   1.199   4.727
  263    HA   SER  30           HA       SER  30  13.967   0.527   5.520
  264   1HB   SER  30          1HB       SER  30  11.962  -1.074   5.276
  265   2HB   SER  30          2HB       SER  30  12.303  -1.027   3.546
  266    HG   SER  30           HG       SER  30  13.348  -2.721   4.963
  267    H    ILE  31           H        ILE  31  12.338   1.349   2.484
  268    HA   ILE  31           HA       ILE  31  14.691   1.000   0.885
  269    HB   ILE  31           HB       ILE  31  12.508   0.720  -0.117
  270   1HG1  ILE  31          1HG1      ILE  31  12.728   2.392  -2.032
  271   2HG1  ILE  31          2HG1      ILE  31  14.104   3.058  -1.156
  272   1HG2  ILE  31          1HG2      ILE  31  11.723   2.838   1.408
  273   2HG2  ILE  31          2HG2      ILE  31  11.798   3.560  -0.198
  274   3HG2  ILE  31          3HG2      ILE  31  10.787   2.144   0.084
  275   1HD1  ILE  31          1HD1      ILE  31  15.110   0.763  -1.209
  276   2HD1  ILE  31          2HD1      ILE  31  13.808   0.304  -2.307
  277   3HD1  ILE  31          3HD1      ILE  31  14.953   1.561  -2.774
  278    H    LYS  32           H        LYS  32  13.273   3.595   2.702
  279    HA   LYS  32           HA       LYS  32  14.848   5.653   1.425
  280   1HB   LYS  32          1HB       LYS  32  12.672   6.274   2.258
  281   2HB   LYS  32          2HB       LYS  32  13.064   5.675   3.864
  282   1HG   LYS  32          1HG       LYS  32  13.824   7.670   4.435
  283   2HG   LYS  32          2HG       LYS  32  15.020   7.600   3.139
  284   1HD   LYS  32          1HD       LYS  32  12.168   8.542   2.842
  285   2HD   LYS  32          2HD       LYS  32  13.582   9.589   2.971
  286   1HE   LYS  32          1HE       LYS  32  14.221   9.209   0.842
  287   2HE   LYS  32          2HE       LYS  32  13.730   7.516   0.888
  288   1HZ   LYS  32          1HZ       LYS  32  11.358   8.617   0.926
  289   2HZ   LYS  32          2HZ       LYS  32  12.175   9.885   0.162
  290   3HZ   LYS  32          3HZ       LYS  32  12.176   8.341  -0.528
  291    H    LYS  33           H        LYS  33  15.003   3.637   4.274
  292    HA   LYS  33           HA       LYS  33  17.160   5.087   5.493
  293   1HB   LYS  33          1HB       LYS  33  15.686   3.837   6.926
  294   2HB   LYS  33          2HB       LYS  33  15.982   2.357   6.025
  295   1HG   LYS  33          1HG       LYS  33  18.393   2.546   6.743
  296   2HG   LYS  33          2HG       LYS  33  17.871   3.825   7.841
  297   1HD   LYS  33          1HD       LYS  33  16.269   2.237   8.861
  298   2HD   LYS  33          2HD       LYS  33  16.910   0.966   7.818
  299   1HE   LYS  33          1HE       LYS  33  19.109   2.211   9.088
  300   2HE   LYS  33          2HE       LYS  33  17.897   1.895  10.328
  301   1HZ   LYS  33          1HZ       LYS  33  17.981  -0.383   8.794
  302   2HZ   LYS  33          2HZ       LYS  33  19.601   0.067   8.975
  303   3HZ   LYS  33          3HZ       LYS  33  18.636  -0.181  10.341
  304    H    LEU  34           H        LEU  34  16.820   2.379   3.310
  305    HA   LEU  34           HA       LEU  34  19.541   1.519   3.502
  306   1HB   LEU  34          1HB       LEU  34  17.171   0.567   2.314
  307   2HB   LEU  34          2HB       LEU  34  18.308   0.804   1.000
  308    HG   LEU  34           HG       LEU  34  19.025  -0.763   3.468
  309   1HD1  LEU  34          1HD1      LEU  34  17.752  -1.741   0.920
  310   2HD1  LEU  34          2HD1      LEU  34  18.545  -2.783   2.102
  311   3HD1  LEU  34          3HD1      LEU  34  17.108  -1.867   2.557
  312   1HD2  LEU  34          1HD2      LEU  34  20.750   0.176   1.807
  313   2HD2  LEU  34          2HD2      LEU  34  20.852  -1.529   2.248
  314   3HD2  LEU  34          3HD2      LEU  34  20.142  -1.059   0.704
  315    H    LYS  35           H        LYS  35  17.702   3.603   1.318
  316    HA   LYS  35           HA       LYS  35  19.827   4.031  -0.520
  317   1HB   LYS  35          1HB       LYS  35  17.114   4.736  -0.340
  318   2HB   LYS  35          2HB       LYS  35  17.991   6.259  -0.388
  319   1HG   LYS  35          1HG       LYS  35  19.065   4.472  -2.348
  320   2HG   LYS  35          2HG       LYS  35  17.315   4.590  -2.536
  321   1HD   LYS  35          1HD       LYS  35  19.120   6.987  -2.279
  322   2HD   LYS  35          2HD       LYS  35  18.659   6.281  -3.829
  323   1HE   LYS  35          1HE       LYS  35  16.733   7.382  -3.794
  324   2HE   LYS  35          2HE       LYS  35  16.316   6.652  -2.244
  325   1HZ   LYS  35          1HZ       LYS  35  18.082   8.537  -1.515
  326   2HZ   LYS  35          2HZ       LYS  35  17.329   9.294  -2.826
  327   3HZ   LYS  35          3HZ       LYS  35  16.405   8.753  -1.516
  328    H    GLN  36           H        GLN  36  18.769   5.638   2.421
  329    HA   GLN  36           HA       GLN  36  20.513   7.885   2.141
  330   1HB   GLN  36          1HB       GLN  36  18.548   8.115   3.512
  331   2HB   GLN  36          2HB       GLN  36  19.027   6.754   4.516
  332   1HG   GLN  36          1HG       GLN  36  21.136   8.634   4.573
  333   2HG   GLN  36          2HG       GLN  36  19.628   9.509   4.839
  334   2HE2  GLN  36          2HE2      GLN  36  21.289   6.549   5.866
  335   1HE2  GLN  36          1HE2      GLN  36  20.796   6.640   7.520
  336    H    SER  37           H        SER  37  20.789   4.674   3.429
  337    HA   SER  37           HA       SER  37  23.089   5.090   5.034
  338   1HB   SER  37          1HB       SER  37  21.641   2.732   3.936
  339   2HB   SER  37          2HB       SER  37  23.312   2.486   4.444
  340    HG   SER  37           HG       SER  37  22.508   2.358   6.375
  341    H    GLU  38           H        GLU  38  22.577   4.528   1.634
  342    HA   GLU  38           HA       GLU  38  25.158   3.684   0.915
  343   1HB   GLU  38          1HB       GLU  38  22.942   3.812  -0.470
  344   2HB   GLU  38          2HB       GLU  38  23.509   5.423  -0.888
  345   1HG   GLU  38          1HG       GLU  38  24.959   2.833  -1.390
  346   2HG   GLU  38          2HG       GLU  38  24.137   3.828  -2.591
  347    H    ASP  39           H        ASP  39  23.823   6.845   1.574
  348    HA   ASP  39           HA       ASP  39  25.986   8.339   0.467
  349   1HB   ASP  39          1HB       ASP  39  23.462   8.910   1.618
  350   2HB   ASP  39          2HB       ASP  39  24.663   9.778   2.569
  351    H    ASP  40           H        ASP  40  25.438   6.719   3.471
  352    HA   ASP  40           HA       ASP  40  26.827   6.291   5.227
  353   1HB   ASP  40          1HB       ASP  40  28.582   6.813   3.127
  354   2HB   ASP  40          2HB       ASP  40  29.143   7.858   4.429
  355    H    ASP  41           H        ASP  41  26.108   7.315   6.976
  356    HA   ASP  41           HA       ASP  41  25.632   8.958   8.483
  357   1HB   ASP  41          1HB       ASP  41  28.316   8.825   8.211
  358   2HB   ASP  41          2HB       ASP  41  28.053  10.512   7.775
  359    H1   ALA   1           H1       ALA   1  31.412  -5.490  -8.905
  360    H2   ALA   1           H2       ALA   1  31.483  -4.531 -10.327
  361    H3   ALA   1           H3       ALA   1  32.668  -4.341  -9.101
  362    HA   ALA   1           HA       ALA   1  31.145  -2.563  -9.009
  363   1HB   ALA   1          1HB       ALA   1  29.231  -4.720  -9.430
  364   2HB   ALA   1          2HB       ALA   1  29.096  -2.997  -9.782
  365   3HB   ALA   1          3HB       ALA   1  28.750  -3.596  -8.159
  366    H    LEU   2           H        LEU   2  30.911  -1.578  -7.043
  367    HA   LEU   2           HA       LEU   2  31.604  -3.214  -4.718
  368   1HB   LEU   2          1HB       LEU   2  32.584  -0.813  -5.596
  369   2HB   LEU   2          2HB       LEU   2  31.433  -0.304  -4.374
  370    HG   LEU   2           HG       LEU   2  32.586  -1.855  -2.763
  371   1HD1  LEU   2          1HD1      LEU   2  34.018  -2.532  -5.177
  372   2HD1  LEU   2          2HD1      LEU   2  35.118  -2.014  -3.898
  373   3HD1  LEU   2          3HD1      LEU   2  33.998  -3.345  -3.612
  374   1HD2  LEU   2          1HD2      LEU   2  33.036   0.691  -3.214
  375   2HD2  LEU   2          2HD2      LEU   2  34.072  -0.231  -2.125
  376   3HD2  LEU   2          3HD2      LEU   2  34.598   0.093  -3.777
  377    H    LYS   3           H        LYS   3  30.340  -3.372  -2.920
  378    HA   LYS   3           HA       LYS   3  28.414  -3.456  -1.712
  379   1HB   LYS   3          1HB       LYS   3  28.398  -0.612  -2.698
  380   2HB   LYS   3          2HB       LYS   3  27.132  -1.227  -1.643
  381   1HG   LYS   3          1HG       LYS   3  28.468  -0.496  -0.004
  382   2HG   LYS   3          2HG       LYS   3  29.345  -2.001  -0.289
  383   1HD   LYS   3          1HD       LYS   3  31.022  -0.943  -1.497
  384   2HD   LYS   3          2HD       LYS   3  30.012   0.457  -1.861
  385   1HE   LYS   3          1HE       LYS   3  30.050   0.888   0.670
  386   2HE   LYS   3          2HE       LYS   3  31.400  -0.247   0.705
  387   1HZ   LYS   3          1HZ       LYS   3  31.387   2.080  -1.118
  388   2HZ   LYS   3          2HZ       LYS   3  31.936   2.213   0.477
  389   3HZ   LYS   3          3HZ       LYS   3  32.705   1.157  -0.597
  390    H    LYS   4           H        LYS   4  28.312  -4.374  -4.458
  391    HA   LYS   4           HA       LYS   4  25.990  -3.546  -5.796
  392   1HB   LYS   4          1HB       LYS   4  28.016  -5.377  -6.262
  393   2HB   LYS   4          2HB       LYS   4  26.583  -6.385  -6.115
  394   1HG   LYS   4          1HG       LYS   4  26.130  -4.049  -7.778
  395   2HG   LYS   4          2HG       LYS   4  27.432  -5.075  -8.381
  396   1HD   LYS   4          1HD       LYS   4  26.005  -6.969  -8.491
  397   2HD   LYS   4          2HD       LYS   4  24.736  -6.149  -7.580
  398   1HE   LYS   4          1HE       LYS   4  25.173  -4.478  -9.733
  399   2HE   LYS   4          2HE       LYS   4  25.327  -6.092 -10.428
  400   1HZ   LYS   4          1HZ       LYS   4  23.163  -6.645  -9.448
  401   2HZ   LYS   4          2HZ       LYS   4  23.014  -5.061  -8.874
  402   3HZ   LYS   4          3HZ       LYS   4  23.053  -5.358 -10.540
  403    H    HIS   5           H        HIS   5  26.507  -5.946  -3.271
  404    HA   HIS   5           HA       HIS   5  24.051  -7.247  -3.341
  405   1HB   HIS   5          1HB       HIS   5  24.492  -7.507  -0.790
  406   2HB   HIS   5          2HB       HIS   5  25.619  -8.235  -1.930
  407    HD1  HIS   5           HD1      HIS   5  28.009  -7.394  -1.913
  408    HD2  HIS   5           HD2      HIS   5  25.482  -5.179   0.532
  409    HE1  HIS   5           HE1      HIS   5  29.517  -5.895  -0.568
  410    HE2  HIS   5           HE2      HIS   5  27.967  -4.563   0.904
  411    H    HIS   6           H        HIS   6  24.994  -4.325  -1.556
  412    HA   HIS   6           HA       HIS   6  22.553  -3.901  -0.249
  413   1HB   HIS   6          1HB       HIS   6  25.027  -2.516  -0.554
  414   2HB   HIS   6          2HB       HIS   6  23.724  -1.377  -0.875
  415    HD1  HIS   6           HD1      HIS   6  23.362  -4.143   1.640
  416    HD2  HIS   6           HD2      HIS   6  24.005  -0.038   1.542
  417    HE1  HIS   6           HE1      HIS   6  23.087  -3.362   4.015
  418    HE2  HIS   6           HE2      HIS   6  23.481  -0.874   3.933
  419    H    GLU   7           H        GLU   7  23.747  -2.650  -3.354
  420    HA   GLU   7           HA       GLU   7  21.559  -1.049  -3.999
  421   1HB   GLU   7          1HB       GLU   7  23.823  -1.266  -5.193
  422   2HB   GLU   7          2HB       GLU   7  23.105  -2.625  -6.047
  423   1HG   GLU   7          1HG       GLU   7  21.333  -1.139  -6.878
  424   2HG   GLU   7          2HG       GLU   7  22.114   0.216  -6.065
  425    H    ASN   8           H        ASN   8  21.914  -4.487  -4.017
  426    HA   ASN   8           HA       ASN   8  19.757  -5.068  -5.788
  427   1HB   ASN   8          1HB       ASN   8  21.703  -6.550  -4.291
  428   2HB   ASN   8          2HB       ASN   8  20.107  -7.218  -3.970
  429   2HD2  ASN   8          2HD2      ASN   8  21.344  -9.021  -5.103
  430   1HD2  ASN   8          1HD2      ASN   8  21.142  -9.116  -6.816
  431    H    GLU   9           H        GLU   9  20.060  -5.370  -2.245
  432    HA   GLU   9           HA       GLU   9  17.362  -5.889  -1.734
  433   1HB   GLU   9          1HB       GLU   9  19.531  -5.893  -0.194
  434   2HB   GLU   9          2HB       GLU   9  18.934  -4.296   0.237
  435   1HG   GLU   9          1HG       GLU   9  18.016  -5.686   1.847
  436   2HG   GLU   9          2HG       GLU   9  16.703  -5.461   0.692
  437    H    ILE  10           H        ILE  10  18.969  -2.971  -2.598
  438    HA   ILE  10           HA       ILE  10  17.046  -1.163  -1.523
  439    HB   ILE  10           HB       ILE  10  19.591  -0.972  -2.742
  440   1HG1  ILE  10          1HG1      ILE  10  18.432   1.596  -2.095
  441   2HG1  ILE  10          2HG1      ILE  10  18.019   0.385  -0.883
  442   1HG2  ILE  10          1HG2      ILE  10  17.536   0.585  -4.287
  443   2HG2  ILE  10          2HG2      ILE  10  19.233   1.060  -4.199
  444   3HG2  ILE  10          3HG2      ILE  10  18.787  -0.494  -4.904
  445   1HD1  ILE  10          1HD1      ILE  10  20.676  -0.082  -1.264
  446   2HD1  ILE  10          2HD1      ILE  10  20.572   1.667  -1.467
  447   3HD1  ILE  10          3HD1      ILE  10  19.986   0.916   0.017
  448    H    SER  11           H        SER  11  17.677  -2.413  -4.796
  449    HA   SER  11           HA       SER  11  15.531  -1.102  -6.053
  450   1HB   SER  11          1HB       SER  11  16.713  -3.762  -6.873
  451   2HB   SER  11          2HB       SER  11  15.906  -2.585  -7.908
  452    HG   SER  11           HG       SER  11  17.985  -2.126  -8.228
  453    H    HIS  12           H        HIS  12  15.701  -4.027  -4.165
  454    HA   HIS  12           HA       HIS  12  13.198  -5.083  -5.005
  455   1HB   HIS  12          1HB       HIS  12  14.161  -6.853  -4.024
  456   2HB   HIS  12          2HB       HIS  12  15.346  -5.836  -3.225
  457    HD1  HIS  12           HD1      HIS  12  11.834  -7.168  -2.671
  458    HD2  HIS  12           HD2      HIS  12  15.075  -5.698  -0.530
  459    HE1  HIS  12           HE1      HIS  12  11.252  -7.519  -0.248
  460    HE2  HIS  12           HE2      HIS  12  13.230  -6.626   1.032
  461    H    HIS  13           H        HIS  13  14.221  -3.156  -2.182
  462    HA   HIS  13           HA       HIS  13  11.670  -3.035  -0.980
  463   1HB   HIS  13          1HB       HIS  13  13.851  -0.948  -0.817
  464   2HB   HIS  13          2HB       HIS  13  12.518  -1.163   0.309
  465    HD1  HIS  13           HD1      HIS  13  12.905  -4.353   0.440
  466    HD2  HIS  13           HD2      HIS  13  15.778  -1.428   1.083
  467    HE1  HIS  13           HE1      HIS  13  14.656  -5.443   1.882
  468    HE2  HIS  13           HE2      HIS  13  16.392  -3.656   2.257
  469    H    ALA  14           H        ALA  14  13.115  -1.342  -3.639
  470    HA   ALA  14           HA       ALA  14  11.410   0.911  -3.691
  471   1HB   ALA  14          1HB       ALA  14  13.068  -0.438  -5.807
  472   2HB   ALA  14          2HB       ALA  14  13.405   1.061  -4.942
  473   3HB   ALA  14          3HB       ALA  14  12.105   1.002  -6.133
  474    H    LYS  15           H        LYS  15  11.321  -2.156  -5.501
  475    HA   LYS  15           HA       LYS  15   8.854  -1.621  -6.779
  476   1HB   LYS  15          1HB       LYS  15  10.784  -3.671  -6.821
  477   2HB   LYS  15          2HB       LYS  15   9.273  -4.445  -6.365
  478   1HG   LYS  15          1HG       LYS  15   8.209  -3.793  -8.352
  479   2HG   LYS  15          2HG       LYS  15   9.466  -2.614  -8.732
  480   1HD   LYS  15          1HD       LYS  15  10.243  -4.237 -10.084
  481   2HD   LYS  15          2HD       LYS  15  10.926  -4.894  -8.595
  482   1HE   LYS  15          1HE       LYS  15   8.492  -5.980  -8.453
  483   2HE   LYS  15          2HE       LYS  15   8.616  -5.820 -10.204
  484   1HZ   LYS  15          1HZ       LYS  15  10.871  -6.997  -8.748
  485   2HZ   LYS  15          2HZ       LYS  15   9.487  -7.942  -8.980
  486   3HZ   LYS  15          3HZ       LYS  15  10.316  -7.314 -10.315
  487    H    GLU  16           H        GLU  16   9.671  -2.633  -3.593
  488    HA   GLU  16           HA       GLU  16   7.206  -3.926  -2.968
  489   1HB   GLU  16          1HB       GLU  16   9.407  -2.804  -1.234
  490   2HB   GLU  16          2HB       GLU  16   8.005  -3.649  -0.595
  491   1HG   GLU  16          1HG       GLU  16   9.697  -4.952  -2.676
  492   2HG   GLU  16          2HG       GLU  16  10.230  -4.924  -0.996
  493    H    ILE  17           H        ILE  17   8.500  -0.649  -2.446
  494    HA   ILE  17           HA       ILE  17   6.206   0.241  -1.001
  495    HB   ILE  17           HB       ILE  17   8.196   1.442  -0.592
  496   1HG1  ILE  17          1HG1      ILE  17   7.294   3.639  -2.225
  497   2HG1  ILE  17          2HG1      ILE  17   5.909   2.784  -1.557
  498   1HG2  ILE  17          1HG2      ILE  17   8.420   1.674  -3.570
  499   2HG2  ILE  17          2HG2      ILE  17   9.328   2.724  -2.482
  500   3HG2  ILE  17          3HG2      ILE  17   9.563   0.977  -2.422
  501   1HD1  ILE  17          1HD1      ILE  17   7.530   2.985   0.616
  502   2HD1  ILE  17          2HD1      ILE  17   7.883   4.482  -0.246
  503   3HD1  ILE  17          3HD1      ILE  17   6.224   4.099   0.214
  504    H    GLU  18           H        GLU  18   7.183   0.332  -4.388
  505    HA   GLU  18           HA       GLU  18   5.016   1.976  -5.244
  506   1HB   GLU  18          1HB       GLU  18   7.199   0.454  -6.517
  507   2HB   GLU  18          2HB       GLU  18   5.745   0.619  -7.491
  508   1HG   GLU  18          1HG       GLU  18   5.977   3.147  -6.754
  509   2HG   GLU  18          2HG       GLU  18   7.668   2.682  -6.578
  510    H    ARG  19           H        ARG  19   5.480  -1.438  -4.742
  511    HA   ARG  19           HA       ARG  19   3.202  -2.303  -6.224
  512   1HB   ARG  19          1HB       ARG  19   5.070  -3.810  -5.744
  513   2HB   ARG  19          2HB       ARG  19   4.743  -3.686  -4.021
  514   1HG   ARG  19          1HG       ARG  19   2.572  -4.749  -4.349
  515   2HG   ARG  19          2HG       ARG  19   2.888  -4.862  -6.081
  516   1HD   ARG  19          1HD       ARG  19   4.475  -6.185  -3.883
  517   2HD   ARG  19          2HD       ARG  19   3.348  -6.983  -4.978
  518    HE   ARG  19           HE       ARG  19   5.217  -5.738  -6.579
  519   1HH1  ARG  19          1HH1      ARG  19   5.217  -8.176  -4.092
  520   2HH1  ARG  19          2HH1      ARG  19   6.594  -9.011  -4.730
  521   1HH2  ARG  19          1HH2      ARG  19   7.031  -6.831  -7.428
  522   2HH2  ARG  19          2HH2      ARG  19   7.626  -8.246  -6.626
  523    H    LEU  20           H        LEU  20   3.801  -1.555  -2.813
  524    HA   LEU  20           HA       LEU  20   1.205  -2.347  -1.944
  525   1HB   LEU  20          1HB       LEU  20   3.496  -0.863  -0.735
  526   2HB   LEU  20          2HB       LEU  20   1.930  -0.781   0.049
  527    HG   LEU  20           HG       LEU  20   3.187  -2.510   1.108
  528   1HD1  LEU  20          1HD1      LEU  20   0.767  -2.921   0.602
  529   2HD1  LEU  20          2HD1      LEU  20   1.289  -3.899  -0.769
  530   3HD1  LEU  20          3HD1      LEU  20   1.732  -4.372   0.872
  531   1HD2  LEU  20          1HD2      LEU  20   3.812  -3.329  -1.693
  532   2HD2  LEU  20          2HD2      LEU  20   4.890  -3.135  -0.312
  533   3HD2  LEU  20          3HD2      LEU  20   3.823  -4.535  -0.408
  534    H    GLN  21           H        GLN  21   2.557   0.533  -3.318
  535    HA   GLN  21           HA       GLN  21   0.460   2.293  -2.469
  536   1HB   GLN  21          1HB       GLN  21   2.960   2.644  -3.583
  537   2HB   GLN  21          2HB       GLN  21   1.885   3.054  -4.913
  538   1HG   GLN  21          1HG       GLN  21   1.008   4.873  -3.828
  539   2HG   GLN  21          2HG       GLN  21   1.378   4.234  -2.227
  540   2HE2  GLN  21          2HE2      GLN  21   3.365   4.769  -5.115
  541   1HE2  GLN  21          1HE2      GLN  21   4.531   5.778  -4.336
  542    H    LYS  22           H        LYS  22   1.082   0.268  -5.263
  543    HA   LYS  22           HA       LYS  22  -1.069   1.297  -6.835
  544   1HB   LYS  22          1HB       LYS  22   1.064  -0.508  -7.217
  545   2HB   LYS  22          2HB       LYS  22  -0.407  -1.428  -7.500
  546   1HG   LYS  22          1HG       LYS  22  -0.044   1.240  -8.789
  547   2HG   LYS  22          2HG       LYS  22   0.735  -0.191  -9.467
  548   1HD   LYS  22          1HD       LYS  22  -2.214  -0.004  -8.872
  549   2HD   LYS  22          2HD       LYS  22  -1.506   0.350 -10.449
  550   1HE   LYS  22          1HE       LYS  22  -0.488  -2.150  -9.585
  551   2HE   LYS  22          2HE       LYS  22  -2.234  -2.171  -9.342
  552   1HZ   LYS  22          1HZ       LYS  22  -1.408  -1.065 -11.874
  553   2HZ   LYS  22          2HZ       LYS  22  -0.997  -2.694 -11.674
  554   3HZ   LYS  22          3HZ       LYS  22  -2.611  -2.203 -11.531
  555    H    GLU  23           H        GLU  23  -0.692  -1.201  -4.432
  556    HA   GLU  23           HA       GLU  23  -3.160  -2.525  -4.921
  557   1HB   GLU  23          1HB       GLU  23  -1.504  -2.448  -2.391
  558   2HB   GLU  23          2HB       GLU  23  -2.783  -3.600  -2.750
  559   1HG   GLU  23          1HG       GLU  23  -0.749  -3.521  -4.817
  560   2HG   GLU  23          2HG       GLU  23  -0.094  -3.935  -3.234
  561    H    ILE  24           H        ILE  24  -2.161  -0.101  -2.494
  562    HA   ILE  24           HA       ILE  24  -4.720   0.106  -1.306
  563    HB   ILE  24           HB       ILE  24  -2.967   0.929   0.019
  564   1HG1  ILE  24          1HG1      ILE  24  -4.044   3.536  -1.030
  565   2HG1  ILE  24          2HG1      ILE  24  -5.070   2.414  -0.143
  566   1HG2  ILE  24          1HG2      ILE  24  -1.885   1.815  -2.461
  567   2HG2  ILE  24          2HG2      ILE  24  -1.853   3.138  -1.297
  568   3HG2  ILE  24          3HG2      ILE  24  -1.085   1.599  -0.905
  569   1HD1  ILE  24          1HD1      ILE  24  -3.264   2.512   1.671
  570   2HD1  ILE  24          2HD1      ILE  24  -2.687   3.943   0.817
  571   3HD1  ILE  24          3HD1      ILE  24  -4.324   3.907   1.471
  572    H    GLU  25           H        GLU  25  -3.306   1.460  -4.168
  573    HA   GLU  25           HA       GLU  25  -5.054   3.645  -4.532
  574   1HB   GLU  25          1HB       GLU  25  -2.956   3.399  -5.783
  575   2HB   GLU  25          2HB       GLU  25  -3.600   1.982  -6.600
  576   1HG   GLU  25          1HG       GLU  25  -5.297   3.336  -7.673
  577   2HG   GLU  25          2HG       GLU  25  -4.732   4.764  -6.805
  578    H    ARG  26           H        ARG  26  -5.160   0.298  -5.751
  579    HA   ARG  26           HA       ARG  26  -7.604   0.600  -7.148
  580   1HB   ARG  26          1HB       ARG  26  -6.135  -1.223  -7.700
  581   2HB   ARG  26          2HB       ARG  26  -6.209  -1.846  -6.057
  582   1HG   ARG  26          1HG       ARG  26  -8.664  -2.225  -6.418
  583   2HG   ARG  26          2HG       ARG  26  -8.396  -1.833  -8.118
  584   1HD   ARG  26          1HD       ARG  26  -6.443  -3.738  -7.278
  585   2HD   ARG  26          2HD       ARG  26  -8.043  -4.316  -6.813
  586    HE   ARG  26           HE       ARG  26  -8.417  -3.564  -9.368
  587   1HH1  ARG  26          1HH1      ARG  26  -6.008  -5.555  -7.834
  588   2HH1  ARG  26          2HH1      ARG  26  -5.755  -6.552  -9.229
  589   1HH2  ARG  26          1HH2      ARG  26  -8.095  -4.869 -11.210
  590   2HH2  ARG  26          2HH2      ARG  26  -6.942  -6.161 -11.148
  591    H    HIS  27           H        HIS  27  -6.820  -0.419  -3.867
  592    HA   HIS  27           HA       HIS  27  -9.479  -1.166  -3.174
  593   1HB   HIS  27          1HB       HIS  27  -6.888  -0.889  -1.774
  594   2HB   HIS  27          2HB       HIS  27  -8.323  -0.692  -0.774
  595    HD1  HIS  27           HD1      HIS  27 -10.163  -2.789  -1.313
  596    HD2  HIS  27           HD2      HIS  27  -6.097  -3.463  -1.842
  597    HE1  HIS  27           HE1      HIS  27  -9.882  -5.287  -1.247
  598    HE2  HIS  27           HE2      HIS  27  -7.412  -5.673  -1.570
  599    H    LYS  28           H        LYS  28  -7.839   1.842  -3.417
  600    HA   LYS  28           HA       LYS  28  -9.510   3.249  -1.545
  601   1HB   LYS  28          1HB       LYS  28  -7.107   3.858  -2.304
  602   2HB   LYS  28          2HB       LYS  28  -7.890   4.557  -3.713
  603   1HG   LYS  28          1HG       LYS  28  -9.146   5.425  -1.259
  604   2HG   LYS  28          2HG       LYS  28  -7.421   5.798  -1.286
  605   1HD   LYS  28          1HD       LYS  28  -9.150   6.406  -3.655
  606   2HD   LYS  28          2HD       LYS  28  -9.098   7.507  -2.277
  607   1HE   LYS  28          1HE       LYS  28  -6.439   6.974  -2.762
  608   2HE   LYS  28          2HE       LYS  28  -7.136   7.044  -4.380
  609   1HZ   LYS  28          1HZ       LYS  28  -8.077   9.162  -2.710
  610   2HZ   LYS  28          2HZ       LYS  28  -6.390   9.178  -2.851
  611   3HZ   LYS  28          3HZ       LYS  28  -7.356   9.237  -4.238
  612    H    GLN  29           H        GLN  29  -9.411   2.710  -5.015
  613    HA   GLN  29           HA       GLN  29 -11.524   4.557  -5.597
  614   1HB   GLN  29          1HB       GLN  29  -9.727   3.803  -7.218
  615   2HB   GLN  29          2HB       GLN  29 -10.579   2.270  -7.327
  616   1HG   GLN  29          1HG       GLN  29 -12.612   3.914  -7.855
  617   2HG   GLN  29          2HG       GLN  29 -11.280   4.918  -8.430
  618   2HE2  GLN  29          2HE2      GLN  29 -13.478   3.472  -9.831
  619   1HE2  GLN  29          1HE2      GLN  29 -12.685   2.510 -11.026
  620    H    SER  30           H        SER  30 -11.288   1.201  -4.725
  621    HA   SER  30           HA       SER  30 -13.967   0.527  -5.517
  622   1HB   SER  30          1HB       SER  30 -11.963  -1.074  -5.274
  623   2HB   SER  30          2HB       SER  30 -12.303  -1.027  -3.545
  624    HG   SER  30           HG       SER  30 -13.349  -2.719  -4.959
  625    H    ILE  31           H        ILE  31 -12.338   1.349  -2.482
  626    HA   ILE  31           HA       ILE  31 -14.690   1.001  -0.882
  627    HB   ILE  31           HB       ILE  31 -12.508   0.720   0.120
  628   1HG1  ILE  31          1HG1      ILE  31 -12.727   2.390   2.035
  629   2HG1  ILE  31          2HG1      ILE  31 -14.103   3.058   1.158
  630   1HG2  ILE  31          1HG2      ILE  31 -11.722   2.839  -1.405
  631   2HG2  ILE  31          2HG2      ILE  31 -11.799   3.560   0.202
  632   3HG2  ILE  31          3HG2      ILE  31 -10.786   2.145  -0.082
  633   1HD1  ILE  31          1HD1      ILE  31 -15.112   0.764   1.211
  634   2HD1  ILE  31          2HD1      ILE  31 -13.809   0.301   2.307
  635   3HD1  ILE  31          3HD1      ILE  31 -14.952   1.560   2.777
  636    H    LYS  32           H        LYS  32 -13.273   3.595  -2.699
  637    HA   LYS  32           HA       LYS  32 -14.848   5.654  -1.420
  638   1HB   LYS  32          1HB       LYS  32 -12.671   6.275  -2.254
  639   2HB   LYS  32          2HB       LYS  32 -13.064   5.677  -3.859
  640   1HG   LYS  32          1HG       LYS  32 -13.825   7.672  -4.428
  641   2HG   LYS  32          2HG       LYS  32 -15.020   7.602  -3.131
  642   1HD   LYS  32          1HD       LYS  32 -12.167   8.543  -2.835
  643   2HD   LYS  32          2HD       LYS  32 -13.582   9.591  -2.964
  644   1HE   LYS  32          1HE       LYS  32 -14.220   9.208  -0.834
  645   2HE   LYS  32          2HE       LYS  32 -13.729   7.516  -0.881
  646   1HZ   LYS  32          1HZ       LYS  32 -11.356   8.616  -0.920
  647   2HZ   LYS  32          2HZ       LYS  32 -12.175   9.885  -0.155
  648   3HZ   LYS  32          3HZ       LYS  32 -12.175   8.340   0.535
  649    H    LYS  33           H        LYS  33 -15.003   3.639  -4.269
  650    HA   LYS  33           HA       LYS  33 -17.161   5.088  -5.487
  651   1HB   LYS  33          1HB       LYS  33 -15.687   3.840  -6.921
  652   2HB   LYS  33          2HB       LYS  33 -15.983   2.359  -6.021
  653   1HG   LYS  33          1HG       LYS  33 -18.394   2.549  -6.737
  654   2HG   LYS  33          2HG       LYS  33 -17.873   3.827  -7.836
  655   1HD   LYS  33          1HD       LYS  33 -16.272   2.237  -8.856
  656   2HD   LYS  33          2HD       LYS  33 -16.912   0.967  -7.812
  657   1HE   LYS  33          1HE       LYS  33 -19.112   2.213  -9.081
  658   2HE   LYS  33          2HE       LYS  33 -17.900   1.895 -10.322
  659   1HZ   LYS  33          1HZ       LYS  33 -17.983  -0.382  -8.787
  660   2HZ   LYS  33          2HZ       LYS  33 -19.604   0.067  -8.967
  661   3HZ   LYS  33          3HZ       LYS  33 -18.640  -0.182 -10.334
  662    H    LEU  34           H        LEU  34 -16.820   2.380  -3.307
  663    HA   LEU  34           HA       LEU  34 -19.542   1.520  -3.497
  664   1HB   LEU  34          1HB       LEU  34 -17.172   0.566  -2.312
  665   2HB   LEU  34          2HB       LEU  34 -18.306   0.805  -0.997
  666    HG   LEU  34           HG       LEU  34 -19.029  -0.762  -3.464
  667   1HD1  LEU  34          1HD1      LEU  34 -17.751  -1.743  -0.920
  668   2HD1  LEU  34          2HD1      LEU  34 -18.545  -2.784  -2.101
  669   3HD1  LEU  34          3HD1      LEU  34 -17.109  -1.866  -2.557
  670   1HD2  LEU  34          1HD2      LEU  34 -20.750   0.176  -1.797
  671   2HD2  LEU  34          2HD2      LEU  34 -20.853  -1.529  -2.239
  672   3HD2  LEU  34          3HD2      LEU  34 -20.138  -1.058  -0.697
  673    H    LYS  35           H        LYS  35 -17.701   3.602  -1.313
  674    HA   LYS  35           HA       LYS  35 -19.825   4.030   0.526
  675   1HB   LYS  35          1HB       LYS  35 -17.112   4.734   0.346
  676   2HB   LYS  35          2HB       LYS  35 -17.988   6.257   0.394
  677   1HG   LYS  35          1HG       LYS  35 -19.063   4.469   2.355
  678   2HG   LYS  35          2HG       LYS  35 -17.312   4.588   2.542
  679   1HD   LYS  35          1HD       LYS  35 -19.117   6.986   2.285
  680   2HD   LYS  35          2HD       LYS  35 -18.657   6.279   3.837
  681   1HE   LYS  35          1HE       LYS  35 -16.730   7.379   3.801
  682   2HE   LYS  35          2HE       LYS  35 -16.314   6.651   2.251
  683   1HZ   LYS  35          1HZ       LYS  35 -18.080   8.535   1.523
  684   2HZ   LYS  35          2HZ       LYS  35 -17.327   9.292   2.834
  685   3HZ   LYS  35          3HZ       LYS  35 -16.403   8.752   1.525
  686    H    GLN  36           H        GLN  36 -18.769   5.637  -2.414
  687    HA   GLN  36           HA       GLN  36 -20.513   7.884  -2.131
  688   1HB   GLN  36          1HB       GLN  36 -18.549   8.115  -3.503
  689   2HB   GLN  36          2HB       GLN  36 -19.028   6.754  -4.508
  690   1HG   GLN  36          1HG       GLN  36 -21.137   8.635  -4.564
  691   2HG   GLN  36          2HG       GLN  36 -19.629   9.509  -4.829
  692   2HE2  GLN  36          2HE2      GLN  36 -21.290   6.549  -5.857
  693   1HE2  GLN  36          1HE2      GLN  36 -20.798   6.641  -7.510
  694    H    SER  37           H        SER  37 -20.790   4.673  -3.420
  695    HA   SER  37           HA       SER  37 -23.092   5.089  -5.024
  696   1HB   SER  37          1HB       SER  37 -21.642   2.732  -3.928
  697   2HB   SER  37          2HB       SER  37 -23.313   2.486  -4.435
  698    HG   SER  37           HG       SER  37 -22.509   2.357  -6.365
  699    H    GLU  38           H        GLU  38 -22.577   4.528  -1.624
  700    HA   GLU  38           HA       GLU  38 -25.157   3.685  -0.904
  701   1HB   GLU  38          1HB       GLU  38 -22.940   3.811   0.479
  702   2HB   GLU  38          2HB       GLU  38 -23.508   5.421   0.898
  703   1HG   GLU  38          1HG       GLU  38 -24.957   2.833   1.400
  704   2HG   GLU  38          2HG       GLU  38 -24.135   3.828   2.601
  705    H    ASP  39           H        ASP  39 -23.822   6.845  -1.564
  706    HA   ASP  39           HA       ASP  39 -25.985   8.338  -0.455
  707   1HB   ASP  39          1HB       ASP  39 -23.462   8.909  -1.607
  708   2HB   ASP  39          2HB       ASP  39 -24.663   9.778  -2.558
  709    H    ASP  40           H        ASP  40 -25.439   6.718  -3.461
  710    HA   ASP  40           HA       ASP  40 -26.828   6.291  -5.215
  711   1HB   ASP  40          1HB       ASP  40 -28.583   6.813  -3.114
  712   2HB   ASP  40          2HB       ASP  40 -29.143   7.858  -4.415
  713    H    ASP  41           H        ASP  41 -26.109   7.315  -6.964
  714    HA   ASP  41           HA       ASP  41 -25.634   8.959  -8.471
  715   1HB   ASP  41          1HB       ASP  41 -28.318   8.826  -8.198
  716   2HB   ASP  41          2HB       ASP  41 -28.054  10.512  -7.763

  No H/Q in entry =         716
  Start of MODEL   10
    1    H1   ALA   1           H1       ALA   1 -34.583 -10.598   2.987
    2    H2   ALA   1           H2       ALA   1 -35.764  -9.378   3.234
    3    H3   ALA   1           H3       ALA   1 -35.906 -10.450   1.904
    4    HA   ALA   1           HA       ALA   1 -33.938  -9.581   0.937
    5   1HB   ALA   1          1HB       ALA   1 -36.308  -8.514   0.740
    6   2HB   ALA   1          2HB       ALA   1 -35.572  -7.182   1.631
    7   3HB   ALA   1          3HB       ALA   1 -34.906  -7.678   0.075
    8    H    LEU   2           H        LEU   2 -32.262  -9.878   2.608
    9    HA   LEU   2           HA       LEU   2 -31.637  -7.373   4.024
   10   1HB   LEU   2          1HB       LEU   2 -30.222  -9.915   4.656
   11   2HB   LEU   2          2HB       LEU   2 -30.627  -8.571   5.706
   12    HG   LEU   2           HG       LEU   2 -33.102  -9.448   5.237
   13   1HD1  LEU   2          1HD1      LEU   2 -31.313 -11.647   4.437
   14   2HD1  LEU   2          2HD1      LEU   2 -32.639 -12.083   5.514
   15   3HD1  LEU   2          3HD1      LEU   2 -32.978 -11.305   3.967
   16   1HD2  LEU   2          1HD2      LEU   2 -31.108 -10.490   7.234
   17   2HD2  LEU   2          2HD2      LEU   2 -32.269  -9.179   7.439
   18   3HD2  LEU   2          3HD2      LEU   2 -32.833 -10.846   7.316
   19    H    LYS   3           H        LYS   3 -30.451  -6.224   2.586
   20    HA   LYS   3           HA       LYS   3 -28.244  -7.555   1.195
   21   1HB   LYS   3          1HB       LYS   3 -29.886  -5.150   0.698
   22   2HB   LYS   3          2HB       LYS   3 -28.189  -5.012   0.260
   23   1HG   LYS   3          1HG       LYS   3 -28.702  -5.986  -1.661
   24   2HG   LYS   3          2HG       LYS   3 -28.971  -7.476  -0.754
   25   1HD   LYS   3          1HD       LYS   3 -31.329  -6.264  -0.335
   26   2HD   LYS   3          2HD       LYS   3 -30.917  -5.568  -1.905
   27   1HE   LYS   3          1HE       LYS   3 -30.329  -8.313  -2.068
   28   2HE   LYS   3          2HE       LYS   3 -31.900  -8.190  -1.279
   29   1HZ   LYS   3          1HZ       LYS   3 -31.742  -6.412  -3.481
   30   2HZ   LYS   3          2HZ       LYS   3 -31.376  -7.987  -3.977
   31   3HZ   LYS   3          3HZ       LYS   3 -32.843  -7.665  -3.198
   32    H    LYS   4           H        LYS   4 -27.707  -7.427   3.814
   33    HA   LYS   4           HA       LYS   4 -26.128  -5.019   4.313
   34   1HB   LYS   4          1HB       LYS   4 -25.957  -5.771   6.586
   35   2HB   LYS   4          2HB       LYS   4 -27.633  -5.946   6.081
   36   1HG   LYS   4          1HG       LYS   4 -26.602  -8.394   5.462
   37   2HG   LYS   4          2HG       LYS   4 -25.700  -7.967   6.918
   38   1HD   LYS   4          1HD       LYS   4 -27.967  -7.366   7.932
   39   2HD   LYS   4          2HD       LYS   4 -28.673  -8.227   6.563
   40   1HE   LYS   4          1HE       LYS   4 -26.741  -9.371   8.578
   41   2HE   LYS   4          2HE       LYS   4 -28.476  -9.677   8.518
   42   1HZ   LYS   4          1HZ       LYS   4 -27.191 -10.220   6.022
   43   2HZ   LYS   4          2HZ       LYS   4 -26.541 -11.146   7.281
   44   3HZ   LYS   4          3HZ       LYS   4 -28.200 -11.210   6.951
   45    H    HIS   5           H        HIS   5 -25.396  -7.125   2.327
   46    HA   HIS   5           HA       HIS   5 -23.021  -8.339   3.480
   47   1HB   HIS   5          1HB       HIS   5 -23.709  -8.452   0.562
   48   2HB   HIS   5          2HB       HIS   5 -22.894  -9.653   1.558
   49    HD1  HIS   5           HD1      HIS   5 -25.216  -9.555   3.804
   50    HD2  HIS   5           HD2      HIS   5 -25.668 -10.261  -0.265
   51    HE1  HIS   5           HE1      HIS   5 -27.376 -10.823   3.578
   52    HE2  HIS   5           HE2      HIS   5 -27.630 -11.240   1.106
   53    H    HIS   6           H        HIS   6 -23.905  -5.745   1.295
   54    HA   HIS   6           HA       HIS   6 -21.353  -5.230   0.228
   55   1HB   HIS   6          1HB       HIS   6 -23.785  -3.485   0.616
   56   2HB   HIS   6          2HB       HIS   6 -22.314  -2.887  -0.144
   57    HD1  HIS   6           HD1      HIS   6 -22.954  -6.367  -1.006
   58    HD2  HIS   6           HD2      HIS   6 -24.104  -2.641  -2.445
   59    HE1  HIS   6           HE1      HIS   6 -23.843  -6.785  -3.321
   60    HE2  HIS   6           HE2      HIS   6 -24.534  -4.517  -4.173
   61    H    GLU   7           H        GLU   7 -22.957  -4.077   3.155
   62    HA   GLU   7           HA       GLU   7 -21.032  -2.161   3.883
   63   1HB   GLU   7          1HB       GLU   7 -23.015  -3.755   5.506
   64   2HB   GLU   7          2HB       GLU   7 -21.974  -2.529   6.218
   65   1HG   GLU   7          1HG       GLU   7 -22.946  -0.852   4.712
   66   2HG   GLU   7          2HG       GLU   7 -24.020  -2.088   4.056
   67    H    ASN   8           H        ASN   8 -21.032  -5.608   4.020
   68    HA   ASN   8           HA       ASN   8 -19.037  -5.857   6.067
   69   1HB   ASN   8          1HB       ASN   8 -20.716  -7.619   4.569
   70   2HB   ASN   8          2HB       ASN   8 -19.049  -8.154   4.379
   71   2HD2  ASN   8          2HD2      ASN   8 -19.323  -9.992   5.596
   72   1HD2  ASN   8          1HD2      ASN   8 -19.547  -9.958   7.308
   73    H    GLU   9           H        GLU   9 -18.978  -6.503   2.554
   74    HA   GLU   9           HA       GLU   9 -16.150  -6.643   2.402
   75   1HB   GLU   9          1HB       GLU   9 -17.812  -7.579   0.735
   76   2HB   GLU   9          2HB       GLU   9 -18.035  -5.937   0.149
   77   1HG   GLU   9          1HG       GLU   9 -16.374  -6.337  -1.258
   78   2HG   GLU   9          2HG       GLU   9 -15.295  -6.272   0.135
   79    H    ILE  10           H        ILE  10 -18.277  -4.033   2.760
   80    HA   ILE  10           HA       ILE  10 -16.668  -2.054   1.432
   81    HB   ILE  10           HB       ILE  10 -19.238  -2.073   2.963
   82   1HG1  ILE  10          1HG1      ILE  10 -18.483  -0.734   0.367
   83   2HG1  ILE  10          2HG1      ILE  10 -19.055  -2.394   0.479
   84   1HG2  ILE  10          1HG2      ILE  10 -17.981  -0.185   3.949
   85   2HG2  ILE  10          2HG2      ILE  10 -17.812   0.505   2.334
   86   3HG2  ILE  10          3HG2      ILE  10 -19.414   0.316   3.050
   87   1HD1  ILE  10          1HD1      ILE  10 -20.694  -0.214   1.667
   88   2HD1  ILE  10          2HD1      ILE  10 -20.698  -0.452  -0.080
   89   3HD1  ILE  10          3HD1      ILE  10 -21.195  -1.763   0.989
   90    H    SER  11           H        SER  11 -17.361  -3.060   4.764
   91    HA   SER  11           HA       SER  11 -15.765  -1.079   6.007
   92   1HB   SER  11          1HB       SER  11 -17.269  -2.079   7.480
   93   2HB   SER  11          2HB       SER  11 -16.930  -3.703   6.881
   94    HG   SER  11           HG       SER  11 -15.757  -2.334   8.903
   95    H    HIS  12           H        HIS  12 -15.090  -4.165   4.556
   96    HA   HIS  12           HA       HIS  12 -12.495  -4.473   5.701
   97   1HB   HIS  12          1HB       HIS  12 -12.975  -6.549   4.987
   98   2HB   HIS  12          2HB       HIS  12 -14.252  -5.961   3.936
   99    HD1  HIS  12           HD1      HIS  12 -10.543  -6.694   3.909
  100    HD2  HIS  12           HD2      HIS  12 -13.670  -6.012   1.262
  101    HE1  HIS  12           HE1      HIS  12  -9.619  -7.220   1.629
  102    HE2  HIS  12           HE2      HIS  12 -11.530  -6.801   0.040
  103    H    HIS  13           H        HIS  13 -13.675  -3.334   2.524
  104    HA   HIS  13           HA       HIS  13 -11.151  -2.801   1.419
  105   1HB   HIS  13          1HB       HIS  13 -13.734  -1.318   0.895
  106   2HB   HIS  13          2HB       HIS  13 -12.307  -1.307  -0.133
  107    HD1  HIS  13           HD1      HIS  13 -11.900  -4.501   0.159
  108    HD2  HIS  13           HD2      HIS  13 -15.306  -2.465  -1.057
  109    HE1  HIS  13           HE1      HIS  13 -13.202  -6.147  -1.229
  110    HE2  HIS  13           HE2      HIS  13 -15.266  -4.895  -1.956
  111    H    ALA  14           H        ALA  14 -13.089  -1.058   3.722
  112    HA   ALA  14           HA       ALA  14 -11.823   1.465   3.466
  113   1HB   ALA  14          1HB       ALA  14 -12.928   0.597   6.090
  114   2HB   ALA  14          2HB       ALA  14 -14.028   0.723   4.716
  115   3HB   ALA  14          3HB       ALA  14 -13.107   2.133   5.241
  116    H    LYS  15           H        LYS  15 -11.419  -1.120   5.890
  117    HA   LYS  15           HA       LYS  15  -9.127   0.064   7.074
  118   1HB   LYS  15          1HB       LYS  15  -8.926  -1.949   8.338
  119   2HB   LYS  15          2HB       LYS  15 -10.646  -1.622   8.164
  120   1HG   LYS  15          1HG       LYS  15 -10.939  -3.645   7.326
  121   2HG   LYS  15          2HG       LYS  15  -9.863  -3.249   5.985
  122   1HD   LYS  15          1HD       LYS  15  -8.228  -4.524   6.808
  123   2HD   LYS  15          2HD       LYS  15  -8.395  -3.821   8.418
  124   1HE   LYS  15          1HE       LYS  15 -10.616  -5.358   8.310
  125   2HE   LYS  15          2HE       LYS  15  -9.520  -6.303   7.303
  126   1HZ   LYS  15          1HZ       LYS  15  -8.859  -5.351  10.035
  127   2HZ   LYS  15          2HZ       LYS  15  -9.459  -6.894   9.690
  128   3HZ   LYS  15          3HZ       LYS  15  -7.955  -6.417   9.082
  129    H    GLU  16           H        GLU  16  -9.580  -1.595   4.144
  130    HA   GLU  16           HA       GLU  16  -6.932  -2.725   4.004
  131   1HB   GLU  16          1HB       GLU  16  -9.380  -2.792   2.382
  132   2HB   GLU  16          2HB       GLU  16  -7.894  -2.785   1.442
  133   1HG   GLU  16          1HG       GLU  16  -8.682  -4.764   3.565
  134   2HG   GLU  16          2HG       GLU  16  -8.582  -5.047   1.828
  135    H    ILE  17           H        ILE  17  -8.608   0.148   2.815
  136    HA   ILE  17           HA       ILE  17  -6.428   0.959   1.120
  137    HB   ILE  17           HB       ILE  17  -8.629   1.705   0.530
  138   1HG1  ILE  17          1HG1      ILE  17  -6.585   3.261   0.274
  139   2HG1  ILE  17          2HG1      ILE  17  -8.186   3.957   0.059
  140   1HG2  ILE  17          1HG2      ILE  17  -8.738   2.628   3.355
  141   2HG2  ILE  17          2HG2      ILE  17  -9.672   3.499   2.138
  142   3HG2  ILE  17          3HG2      ILE  17  -9.946   1.775   2.393
  143   1HD1  ILE  17          1HD1      ILE  17  -7.415   4.175   2.803
  144   2HD1  ILE  17          2HD1      ILE  17  -6.140   4.819   1.768
  145   3HD1  ILE  17          3HD1      ILE  17  -7.783   5.448   1.639
  146    H    GLU  18           H        GLU  18  -7.467   1.600   4.411
  147    HA   GLU  18           HA       GLU  18  -5.544   3.694   4.841
  148   1HB   GLU  18          1HB       GLU  18  -7.828   2.818   6.156
  149   2HB   GLU  18          2HB       GLU  18  -6.525   2.372   7.248
  150   1HG   GLU  18          1HG       GLU  18  -5.731   4.664   7.275
  151   2HG   GLU  18          2HG       GLU  18  -6.985   5.127   6.126
  152    H    ARG  19           H        ARG  19  -5.769   0.240   5.523
  153    HA   ARG  19           HA       ARG  19  -3.327   0.131   7.004
  154   1HB   ARG  19          1HB       ARG  19  -5.071  -1.982   5.743
  155   2HB   ARG  19          2HB       ARG  19  -3.573  -2.375   6.577
  156   1HG   ARG  19          1HG       ARG  19  -5.895  -0.916   7.823
  157   2HG   ARG  19          2HG       ARG  19  -5.581  -2.646   7.984
  158   1HD   ARG  19          1HD       ARG  19  -3.392  -2.123   8.993
  159   2HD   ARG  19          2HD       ARG  19  -3.774  -0.405   8.887
  160    HE   ARG  19           HE       ARG  19  -5.856  -1.440  10.287
  161   1HH1  ARG  19          1HH1      ARG  19  -2.394  -1.563  10.649
  162   2HH1  ARG  19          2HH1      ARG  19  -2.449  -1.684  12.376
  163   1HH2  ARG  19          1HH2      ARG  19  -5.940  -1.600  12.561
  164   2HH2  ARG  19          2HH2      ARG  19  -4.465  -1.706  13.464
  165    H    LEU  20           H        LEU  20  -4.201  -0.040   3.650
  166    HA   LEU  20           HA       LEU  20  -1.776  -1.248   2.744
  167   1HB   LEU  20          1HB       LEU  20  -4.148   0.011   1.505
  168   2HB   LEU  20          2HB       LEU  20  -2.671   0.092   0.571
  169    HG   LEU  20           HG       LEU  20  -2.520  -2.252   0.379
  170   1HD1  LEU  20          1HD1      LEU  20  -3.942  -2.237   2.875
  171   2HD1  LEU  20          2HD1      LEU  20  -4.714  -3.336   1.731
  172   3HD1  LEU  20          3HD1      LEU  20  -3.005  -3.529   2.125
  173   1HD2  LEU  20          1HD2      LEU  20  -5.372  -1.333   0.120
  174   2HD2  LEU  20          2HD2      LEU  20  -4.140  -1.426  -1.138
  175   3HD2  LEU  20          3HD2      LEU  20  -4.809  -2.905  -0.447
  176    H    GLN  21           H        GLN  21  -2.960   2.062   3.101
  177    HA   GLN  21           HA       GLN  21  -0.796   3.371   1.876
  178   1HB   GLN  21          1HB       GLN  21  -3.086   4.303   2.653
  179   2HB   GLN  21          2HB       GLN  21  -2.297   4.530   4.207
  180   1HG   GLN  21          1HG       GLN  21  -0.731   6.053   3.290
  181   2HG   GLN  21          2HG       GLN  21  -1.218   5.660   1.642
  182   2HE2  GLN  21          2HE2      GLN  21  -2.370   7.069   4.663
  183   1HE2  GLN  21          1HE2      GLN  21  -3.497   8.159   3.936
  184    H    LYS  22           H        LYS  22  -1.386   2.527   5.281
  185    HA   LYS  22           HA       LYS  22   1.007   3.626   6.289
  186   1HB   LYS  22          1HB       LYS  22  -1.160   2.688   7.485
  187   2HB   LYS  22          2HB       LYS  22  -0.208   1.212   7.561
  188   1HG   LYS  22          1HG       LYS  22   1.623   2.826   8.531
  189   2HG   LYS  22          2HG       LYS  22   0.218   3.819   8.924
  190   1HD   LYS  22          1HD       LYS  22   0.318   2.562  10.825
  191   2HD   LYS  22          2HD       LYS  22  -0.693   1.502   9.840
  192   1HE   LYS  22          1HE       LYS  22   1.314   0.247   9.170
  193   2HE   LYS  22          2HE       LYS  22   2.293   1.284  10.206
  194   1HZ   LYS  22          1HZ       LYS  22   0.008  -0.087  11.412
  195   2HZ   LYS  22          2HZ       LYS  22   1.372  -1.015  11.040
  196   3HZ   LYS  22          3HZ       LYS  22   1.509   0.307  12.086
  197    H    GLU  23           H        GLU  23   0.246   0.560   4.800
  198    HA   GLU  23           HA       GLU  23   2.611  -0.809   5.559
  199   1HB   GLU  23          1HB       GLU  23   0.345  -1.682   4.539
  200   2HB   GLU  23          2HB       GLU  23   1.179  -1.438   3.010
  201   1HG   GLU  23          1HG       GLU  23   1.887  -3.301   5.247
  202   2HG   GLU  23          2HG       GLU  23   1.533  -3.683   3.564
  203    H    ILE  24           H        ILE  24   1.769   1.276   2.854
  204    HA   ILE  24           HA       ILE  24   4.076   0.713   1.307
  205    HB   ILE  24           HB       ILE  24   3.360   2.268  -0.199
  206   1HG1  ILE  24          1HG1      ILE  24   1.962   4.339   0.556
  207   2HG1  ILE  24          2HG1      ILE  24   2.619   3.987   2.152
  208   1HG2  ILE  24          1HG2      ILE  24   1.406   0.788   0.730
  209   2HG2  ILE  24          2HG2      ILE  24   0.748   2.350   1.215
  210   3HG2  ILE  24          3HG2      ILE  24   1.110   2.036  -0.481
  211   1HD1  ILE  24          1HD1      ILE  24   4.748   3.933   0.270
  212   2HD1  ILE  24          2HD1      ILE  24   3.817   5.414   0.036
  213   3HD1  ILE  24          3HD1      ILE  24   4.488   5.036   1.624
  214    H    GLU  25           H        GLU  25   3.331   3.144   3.751
  215    HA   GLU  25           HA       GLU  25   5.666   4.674   3.544
  216   1HB   GLU  25          1HB       GLU  25   3.414   4.792   5.077
  217   2HB   GLU  25          2HB       GLU  25   4.609   4.296   6.269
  218   1HG   GLU  25          1HG       GLU  25   5.549   6.312   6.329
  219   2HG   GLU  25          2HG       GLU  25   5.532   6.471   4.572
  220    H    ARG  26           H        ARG  26   4.944   1.793   5.477
  221    HA   ARG  26           HA       ARG  26   7.309   1.645   6.936
  222   1HB   ARG  26          1HB       ARG  26   5.060  -0.007   6.479
  223   2HB   ARG  26          2HB       ARG  26   6.479  -0.992   6.148
  224   1HG   ARG  26          1HG       ARG  26   7.232  -0.884   8.312
  225   2HG   ARG  26          2HG       ARG  26   6.399   0.637   8.640
  226   1HD   ARG  26          1HD       ARG  26   4.515  -0.398   9.283
  227   2HD   ARG  26          2HD       ARG  26   4.612  -1.584   7.982
  228    HE   ARG  26           HE       ARG  26   6.567  -2.345   9.710
  229   1HH1  ARG  26          1HH1      ARG  26   3.158  -1.708  10.020
  230   2HH1  ARG  26          2HH1      ARG  26   2.931  -2.842  11.309
  231   1HH2  ARG  26          1HH2      ARG  26   6.281  -3.842  11.407
  232   2HH2  ARG  26          2HH2      ARG  26   4.708  -4.055  12.099
  233    H    HIS  27           H        HIS  27   6.530   0.233   3.768
  234    HA   HIS  27           HA       HIS  27   9.038  -0.961   3.321
  235   1HB   HIS  27          1HB       HIS  27   6.599  -0.590   1.871
  236   2HB   HIS  27          2HB       HIS  27   7.946  -0.156   0.823
  237    HD1  HIS  27           HD1      HIS  27   9.752  -2.062   0.408
  238    HD2  HIS  27           HD2      HIS  27   6.247  -3.283   2.274
  239    HE1  HIS  27           HE1      HIS  27   9.723  -4.569   0.208
  240    HE2  HIS  27           HE2      HIS  27   7.593  -5.287   1.345
  241    H    LYS  28           H        LYS  28   7.936   2.308   3.044
  242    HA   LYS  28           HA       LYS  28  10.018   3.230   1.318
  243   1HB   LYS  28          1HB       LYS  28   7.721   4.314   1.794
  244   2HB   LYS  28          2HB       LYS  28   8.485   4.967   3.237
  245   1HG   LYS  28          1HG       LYS  28  10.294   5.648   1.332
  246   2HG   LYS  28          2HG       LYS  28   8.780   5.746   0.429
  247   1HD   LYS  28          1HD       LYS  28   8.925   7.872   1.303
  248   2HD   LYS  28          2HD       LYS  28   7.952   7.061   2.531
  249   1HE   LYS  28          1HE       LYS  28   9.464   7.592   4.065
  250   2HE   LYS  28          2HE       LYS  28  10.670   6.646   3.194
  251   1HZ   LYS  28          1HZ       LYS  28  10.652   8.883   1.753
  252   2HZ   LYS  28          2HZ       LYS  28  10.272   9.520   3.274
  253   3HZ   LYS  28          3HZ       LYS  28  11.694   8.628   3.060
  254    H    GLN  29           H        GLN  29   9.596   2.920   4.779
  255    HA   GLN  29           HA       GLN  29  11.871   4.491   5.492
  256   1HB   GLN  29          1HB       GLN  29   9.833   3.868   6.945
  257   2HB   GLN  29          2HB       GLN  29  10.660   2.339   7.211
  258   1HG   GLN  29          1HG       GLN  29  11.553   3.386   8.968
  259   2HG   GLN  29          2HG       GLN  29  12.639   4.097   7.775
  260   2HE2  GLN  29          2HE2      GLN  29  12.639   5.646   9.714
  261   1HE2  GLN  29          1HE2      GLN  29  11.534   6.970   9.612
  262    H    SER  30           H        SER  30  11.304   1.115   4.767
  263    HA   SER  30           HA       SER  30  13.844   0.206   5.723
  264   1HB   SER  30          1HB       SER  30  11.522  -0.982   4.323
  265   2HB   SER  30          2HB       SER  30  13.078  -1.756   4.021
  266    HG   SER  30           HG       SER  30  11.530  -2.071   6.110
  267    H    ILE  31           H        ILE  31  12.529   1.107   2.562
  268    HA   ILE  31           HA       ILE  31  14.936   0.410   1.168
  269    HB   ILE  31           HB       ILE  31  12.622   0.429   0.178
  270   1HG1  ILE  31          1HG1      ILE  31  15.104   0.782  -0.953
  271   2HG1  ILE  31          2HG1      ILE  31  13.640   0.353  -1.816
  272   1HG2  ILE  31          1HG2      ILE  31  12.093   2.721   1.122
  273   2HG2  ILE  31          2HG2      ILE  31  13.025   3.375  -0.223
  274   3HG2  ILE  31          3HG2      ILE  31  11.587   2.405  -0.537
  275   1HD1  ILE  31          1HD1      ILE  31  13.293   2.845  -2.144
  276   2HD1  ILE  31          2HD1      ILE  31  14.957   3.031  -1.587
  277   3HD1  ILE  31          3HD1      ILE  31  14.611   2.085  -3.035
  278    H    LYS  32           H        LYS  32  13.749   3.197   2.826
  279    HA   LYS  32           HA       LYS  32  15.569   5.049   1.563
  280   1HB   LYS  32          1HB       LYS  32  13.527   5.197   3.734
  281   2HB   LYS  32          2HB       LYS  32  14.781   6.428   3.691
  282   1HG   LYS  32          1HG       LYS  32  13.378   5.865   1.151
  283   2HG   LYS  32          2HG       LYS  32  12.457   6.679   2.418
  284   1HD   LYS  32          1HD       LYS  32  13.775   8.555   2.358
  285   2HD   LYS  32          2HD       LYS  32  15.193   7.672   1.790
  286   1HE   LYS  32          1HE       LYS  32  13.955   7.356  -0.394
  287   2HE   LYS  32          2HE       LYS  32  12.781   8.527   0.207
  288   1HZ   LYS  32          1HZ       LYS  32  14.985   9.898   0.610
  289   2HZ   LYS  32          2HZ       LYS  32  15.535   8.938  -0.668
  290   3HZ   LYS  32          3HZ       LYS  32  14.176   9.924  -0.875
  291    H    LYS  33           H        LYS  33  15.469   3.049   4.427
  292    HA   LYS  33           HA       LYS  33  17.772   4.269   5.650
  293   1HB   LYS  33          1HB       LYS  33  15.761   2.845   6.682
  294   2HB   LYS  33          2HB       LYS  33  16.895   1.528   6.414
  295   1HG   LYS  33          1HG       LYS  33  18.521   2.538   7.833
  296   2HG   LYS  33          2HG       LYS  33  17.574   4.023   7.951
  297   1HD   LYS  33          1HD       LYS  33  15.931   3.000   9.279
  298   2HD   LYS  33          2HD       LYS  33  16.479   1.377   8.855
  299   1HE   LYS  33          1HE       LYS  33  18.537   1.727  10.105
  300   2HE   LYS  33          2HE       LYS  33  18.038   3.372  10.493
  301   1HZ   LYS  33          1HZ       LYS  33  16.459   0.991  11.276
  302   2HZ   LYS  33          2HZ       LYS  33  17.651   1.666  12.269
  303   3HZ   LYS  33          3HZ       LYS  33  16.292   2.576  11.838
  304    H    LEU  34           H        LEU  34  17.127   1.573   3.526
  305    HA   LEU  34           HA       LEU  34  19.742   0.413   3.790
  306   1HB   LEU  34          1HB       LEU  34  17.351  -0.073   2.072
  307   2HB   LEU  34          2HB       LEU  34  18.896  -0.724   1.560
  308    HG   LEU  34           HG       LEU  34  17.986  -1.274   4.345
  309   1HD1  LEU  34          1HD1      LEU  34  16.081  -1.686   2.676
  310   2HD1  LEU  34          2HD1      LEU  34  17.085  -3.005   2.072
  311   3HD1  LEU  34          3HD1      LEU  34  16.545  -3.005   3.751
  312   1HD2  LEU  34          1HD2      LEU  34  20.223  -1.945   3.505
  313   2HD2  LEU  34          2HD2      LEU  34  19.229  -3.305   4.026
  314   3HD2  LEU  34          3HD2      LEU  34  19.425  -2.964   2.307
  315    H    LYS  35           H        LYS  35  18.163   2.689   1.640
  316    HA   LYS  35           HA       LYS  35  20.271   2.728  -0.297
  317   1HB   LYS  35          1HB       LYS  35  17.728   3.473  -0.453
  318   2HB   LYS  35          2HB       LYS  35  18.399   5.029   0.013
  319   1HG   LYS  35          1HG       LYS  35  20.076   4.161  -2.009
  320   2HG   LYS  35          2HG       LYS  35  18.465   3.670  -2.540
  321   1HD   LYS  35          1HD       LYS  35  19.198   6.446  -1.614
  322   2HD   LYS  35          2HD       LYS  35  19.103   5.943  -3.302
  323   1HE   LYS  35          1HE       LYS  35  16.709   5.192  -1.903
  324   2HE   LYS  35          2HE       LYS  35  17.030   6.911  -1.678
  325   1HZ   LYS  35          1HZ       LYS  35  17.229   7.119  -4.102
  326   2HZ   LYS  35          2HZ       LYS  35  16.818   5.486  -4.274
  327   3HZ   LYS  35          3HZ       LYS  35  15.696   6.577  -3.633
  328    H    GLN  36           H        GLN  36  19.475   4.549   2.592
  329    HA   GLN  36           HA       GLN  36  21.508   6.543   2.133
  330   1HB   GLN  36          1HB       GLN  36  19.346   6.098   4.038
  331   2HB   GLN  36          2HB       GLN  36  20.811   6.683   4.816
  332   1HG   GLN  36          1HG       GLN  36  20.158   8.140   2.384
  333   2HG   GLN  36          2HG       GLN  36  18.890   8.225   3.606
  334   2HE2  GLN  36          2HE2      GLN  36  22.438   8.352   3.471
  335   1HE2  GLN  36          1HE2      GLN  36  22.599   9.713   4.523
  336    H    SER  37           H        SER  37  21.257   3.473   3.714
  337    HA   SER  37           HA       SER  37  23.659   3.816   5.281
  338   1HB   SER  37          1HB       SER  37  21.675   1.614   4.871
  339   2HB   SER  37          2HB       SER  37  23.265   1.213   5.519
  340    HG   SER  37           HG       SER  37  22.093   1.685   7.284
  341    H    GLU  38           H        GLU  38  22.775   2.595   2.158
  342    HA   GLU  38           HA       GLU  38  25.205   1.111   1.747
  343   1HB   GLU  38          1HB       GLU  38  22.824   0.879   0.611
  344   2HB   GLU  38          2HB       GLU  38  23.507   2.030  -0.530
  345   1HG   GLU  38          1HG       GLU  38  25.211  -0.279   0.109
  346   2HG   GLU  38          2HG       GLU  38  23.720  -0.647  -0.755
  347    H    ASP  39           H        ASP  39  24.135   4.373   1.295
  348    HA   ASP  39           HA       ASP  39  26.156   5.111  -0.597
  349   1HB   ASP  39          1HB       ASP  39  23.830   6.251   0.085
  350   2HB   ASP  39          2HB       ASP  39  24.900   7.177   1.134
  351    H    ASP  40           H        ASP  40  25.953   4.874   2.852
  352    HA   ASP  40           HA       ASP  40  28.765   5.334   3.127
  353   1HB   ASP  40          1HB       ASP  40  28.611   7.236   4.676
  354   2HB   ASP  40          2HB       ASP  40  27.997   7.662   3.080
  355    H    ASP  41           H        ASP  41  28.783   3.294   4.048
  356    HA   ASP  41           HA       ASP  41  27.095   2.267   5.972
  357   1HB   ASP  41          1HB       ASP  41  29.726   1.641   4.933
  358   2HB   ASP  41          2HB       ASP  41  29.629   1.291   6.656
  359    H1   ALA   1           H1       ALA   1  34.585 -10.592  -2.992
  360    H2   ALA   1           H2       ALA   1  35.768  -9.371  -3.230
  361    H3   ALA   1           H3       ALA   1  35.907 -10.449  -1.906
  362    HA   ALA   1           HA       ALA   1  33.937  -9.585  -0.937
  363   1HB   ALA   1          1HB       ALA   1  36.308  -8.519  -0.733
  364   2HB   ALA   1          2HB       ALA   1  35.572  -7.183  -1.618
  365   3HB   ALA   1          3HB       ALA   1  34.904  -7.686  -0.065
  366    H    LEU   2           H        LEU   2  32.264  -9.874  -2.611
  367    HA   LEU   2           HA       LEU   2  31.640  -7.362  -4.014
  368   1HB   LEU   2          1HB       LEU   2  30.227  -9.901  -4.663
  369   2HB   LEU   2          2HB       LEU   2  30.634  -8.551  -5.705
  370    HG   LEU   2           HG       LEU   2  33.108  -9.431  -5.237
  371   1HD1  LEU   2          1HD1      LEU   2  31.317 -11.634  -4.451
  372   2HD1  LEU   2          2HD1      LEU   2  32.647 -12.063  -5.526
  373   3HD1  LEU   2          3HD1      LEU   2  32.982 -11.293  -3.975
  374   1HD2  LEU   2          1HD2      LEU   2  31.116 -10.463  -7.242
  375   2HD2  LEU   2          2HD2      LEU   2  32.279  -9.152  -7.439
  376   3HD2  LEU   2          3HD2      LEU   2  32.842 -10.819  -7.322
  377    H    LYS   3           H        LYS   3  30.448  -6.220  -2.577
  378    HA   LYS   3           HA       LYS   3  28.240  -7.560  -1.195
  379   1HB   LYS   3          1HB       LYS   3  29.880  -5.154  -0.683
  380   2HB   LYS   3          2HB       LYS   3  28.182  -5.024  -0.244
  381   1HG   LYS   3          1HG       LYS   3  28.701  -6.008   1.671
  382   2HG   LYS   3          2HG       LYS   3  28.970  -7.492   0.755
  383   1HD   LYS   3          1HD       LYS   3  31.327  -6.278   0.339
  384   2HD   LYS   3          2HD       LYS   3  30.917  -5.587   1.910
  385   1HE   LYS   3          1HE       LYS   3  30.329  -8.335   2.064
  386   2HE   LYS   3          2HE       LYS   3  31.903  -8.204   1.279
  387   1HZ   LYS   3          1HZ       LYS   3  31.735  -6.434   3.488
  388   2HZ   LYS   3          2HZ       LYS   3  31.369  -8.011   3.976
  389   3HZ   LYS   3          3HZ       LYS   3  32.838  -7.685   3.205
  390    H    LYS   4           H        LYS   4  27.705  -7.418  -3.812
  391    HA   LYS   4           HA       LYS   4  26.129  -5.008  -4.303
  392   1HB   LYS   4          1HB       LYS   4  25.963  -5.746  -6.579
  393   2HB   LYS   4          2HB       LYS   4  27.638  -5.924  -6.073
  394   1HG   LYS   4          1HG       LYS   4  26.602  -8.376  -5.470
  395   2HG   LYS   4          2HG       LYS   4  25.706  -7.939  -6.927
  396   1HD   LYS   4          1HD       LYS   4  27.976  -7.334  -7.930
  397   2HD   LYS   4          2HD       LYS   4  28.679  -8.202  -6.563
  398   1HE   LYS   4          1HE       LYS   4  26.752  -9.339  -8.587
  399   2HE   LYS   4          2HE       LYS   4  28.488  -9.642  -8.527
  400   1HZ   LYS   4          1HZ       LYS   4  27.200 -10.198  -6.035
  401   2HZ   LYS   4          2HZ       LYS   4  26.553 -11.119  -7.299
  402   3HZ   LYS   4          3HZ       LYS   4  28.210 -11.184  -6.969
  403    H    HIS   5           H        HIS   5  25.391  -7.117  -2.327
  404    HA   HIS   5           HA       HIS   5  23.019  -8.327  -3.490
  405   1HB   HIS   5          1HB       HIS   5  23.704  -8.458  -0.573
  406   2HB   HIS   5          2HB       HIS   5  22.890  -9.653  -1.576
  407    HD1  HIS   5           HD1      HIS   5  25.216  -9.539  -3.820
  408    HD2  HIS   5           HD2      HIS   5  25.660 -10.276   0.246
  409    HE1  HIS   5           HE1      HIS   5  27.375 -10.809  -3.598
  410    HE2  HIS   5           HE2      HIS   5  27.624 -11.246  -1.129
  411    H    HIS   6           H        HIS   6  23.903  -5.740  -1.300
  412    HA   HIS   6           HA       HIS   6  21.350  -5.233  -0.226
  413   1HB   HIS   6          1HB       HIS   6  23.784  -3.489  -0.602
  414   2HB   HIS   6          2HB       HIS   6  22.314  -2.893   0.161
  415    HD1  HIS   6           HD1      HIS   6  22.947  -6.380   1.002
  416    HD2  HIS   6           HD2      HIS   6  24.105  -2.665   2.463
  417    HE1  HIS   6           HE1      HIS   6  23.835  -6.813   3.315
  418    HE2  HIS   6           HE2      HIS   6  24.529  -4.550   4.182
  419    H    GLU   7           H        GLU   7  22.955  -4.062  -3.146
  420    HA   GLU   7           HA       GLU   7  21.041  -2.133  -3.861
  421   1HB   GLU   7          1HB       GLU   7  23.009  -3.734  -5.496
  422   2HB   GLU   7          2HB       GLU   7  21.973  -2.500  -6.201
  423   1HG   GLU   7          1HG       GLU   7  22.959  -0.833  -4.693
  424   2HG   GLU   7          2HG       GLU   7  24.025  -2.077  -4.042
  425    H    ASN   8           H        ASN   8  21.043  -5.583  -4.052
  426    HA   ASN   8           HA       ASN   8  19.034  -5.813  -6.080
  427   1HB   ASN   8          1HB       ASN   8  20.708  -7.589  -4.590
  428   2HB   ASN   8          2HB       ASN   8  19.039  -8.119  -4.407
  429   2HD2  ASN   8          2HD2      ASN   8  19.330  -9.954  -5.630
  430   1HD2  ASN   8          1HD2      ASN   8  19.551  -9.910  -7.343
  431    H    GLU   9           H        GLU   9  18.981  -6.473  -2.571
  432    HA   GLU   9           HA       GLU   9  16.153  -6.607  -2.415
  433   1HB   GLU   9          1HB       GLU   9  17.839  -7.557  -0.766
  434   2HB   GLU   9          2HB       GLU   9  18.027  -5.920  -0.152
  435   1HG   GLU   9          1HG       GLU   9  16.375  -6.391   1.244
  436   2HG   GLU   9          2HG       GLU   9  15.299  -6.294  -0.148
  437    H    ILE  10           H        ILE  10  18.278  -4.000  -2.763
  438    HA   ILE  10           HA       ILE  10  16.683  -2.028  -1.406
  439    HB   ILE  10           HB       ILE  10  19.248  -2.046  -2.942
  440   1HG1  ILE  10          1HG1      ILE  10  18.506  -0.714  -0.341
  441   2HG1  ILE  10          2HG1      ILE  10  19.061  -2.380  -0.458
  442   1HG2  ILE  10          1HG2      ILE  10  18.003  -0.146  -3.916
  443   2HG2  ILE  10          2HG2      ILE  10  17.831   0.533  -2.297
  444   3HG2  ILE  10          3HG2      ILE  10  19.434   0.345  -3.011
  445   1HD1  ILE  10          1HD1      ILE  10  20.718  -0.204  -1.634
  446   2HD1  ILE  10          2HD1      ILE  10  20.728  -0.468   0.110
  447   3HD1  ILE  10          3HD1      ILE  10  21.207  -1.767  -0.983
  448    H    SER  11           H        SER  11  17.329  -3.047  -4.733
  449    HA   SER  11           HA       SER  11  15.741  -1.035  -5.960
  450   1HB   SER  11          1HB       SER  11  17.259  -1.993  -7.445
  451   2HB   SER  11          2HB       SER  11  16.948  -3.629  -6.864
  452    HG   SER  11           HG       SER  11  15.783  -2.293  -8.892
  453    H    HIS  12           H        HIS  12  15.093  -4.136  -4.538
  454    HA   HIS  12           HA       HIS  12  12.510  -4.466  -5.710
  455   1HB   HIS  12          1HB       HIS  12  13.009  -6.545  -5.021
  456   2HB   HIS  12          2HB       HIS  12  14.273  -5.959  -3.955
  457    HD1  HIS  12           HD1      HIS  12  10.563  -6.703  -3.956
  458    HD2  HIS  12           HD2      HIS  12  13.684  -6.076  -1.288
  459    HE1  HIS  12           HE1      HIS  12   9.631  -7.272  -1.690
  460    HE2  HIS  12           HE2      HIS  12  11.539  -6.889  -0.088
  461    H    HIS  13           H        HIS  13  13.656  -3.363  -2.505
  462    HA   HIS  13           HA       HIS  13  11.107  -2.866  -1.433
  463   1HB   HIS  13          1HB       HIS  13  13.659  -1.364  -0.817
  464   2HB   HIS  13          2HB       HIS  13  12.213  -1.422   0.183
  465    HD1  HIS  13           HD1      HIS  13  11.861  -4.593  -0.171
  466    HD2  HIS  13           HD2      HIS  13  15.247  -2.553   1.094
  467    HE1  HIS  13           HE1      HIS  13  13.170  -6.252   1.195
  468    HE2  HIS  13           HE2      HIS  13  15.221  -4.996   1.951
  469    H    ALA  14           H        ALA  14  13.090  -1.080  -3.662
  470    HA   ALA  14           HA       ALA  14  11.828   1.440  -3.398
  471   1HB   ALA  14          1HB       ALA  14  14.038   0.704  -4.640
  472   2HB   ALA  14          2HB       ALA  14  12.948   0.588  -6.022
  473   3HB   ALA  14          3HB       ALA  14  13.122   2.118  -5.162
  474    H    LYS  15           H        LYS  15  11.427  -1.112  -5.858
  475    HA   LYS  15           HA       LYS  15   9.149   0.096  -7.042
  476   1HB   LYS  15          1HB       LYS  15   8.941  -1.905  -8.326
  477   2HB   LYS  15          2HB       LYS  15  10.661  -1.589  -8.141
  478   1HG   LYS  15          1HG       LYS  15  10.944  -3.617  -7.314
  479   2HG   LYS  15          2HG       LYS  15   9.853  -3.232  -5.982
  480   1HD   LYS  15          1HD       LYS  15   8.223  -4.494  -6.838
  481   2HD   LYS  15          2HD       LYS  15   8.414  -3.777  -8.440
  482   1HE   LYS  15          1HE       LYS  15  10.626  -5.319  -8.328
  483   2HE   LYS  15          2HE       LYS  15   9.532  -6.268  -7.324
  484   1HZ   LYS  15          1HZ       LYS  15   8.871  -5.313 -10.056
  485   2HZ   LYS  15          2HZ       LYS  15   9.474  -6.855  -9.712
  486   3HZ   LYS  15          3HZ       LYS  15   7.968  -6.382  -9.104
  487    H    GLU  16           H        GLU  16   9.575  -1.607  -4.131
  488    HA   GLU  16           HA       GLU  16   6.921  -2.720  -4.014
  489   1HB   GLU  16          1HB       GLU  16   9.358  -2.801  -2.373
  490   2HB   GLU  16          2HB       GLU  16   7.865  -2.801  -1.446
  491   1HG   GLU  16          1HG       GLU  16   8.670  -4.763  -3.578
  492   2HG   GLU  16          2HG       GLU  16   8.556  -5.060  -1.844
  493    H    ILE  17           H        ILE  17   8.591   0.146  -2.817
  494    HA   ILE  17           HA       ILE  17   6.419   0.958  -1.118
  495    HB   ILE  17           HB       ILE  17   8.618   1.698  -0.527
  496   1HG1  ILE  17          1HG1      ILE  17   6.585   3.266  -0.274
  497   2HG1  ILE  17          2HG1      ILE  17   8.191   3.953  -0.062
  498   1HG2  ILE  17          1HG2      ILE  17   8.740   2.631  -3.348
  499   2HG2  ILE  17          2HG2      ILE  17   9.687   3.474  -2.121
  500   3HG2  ILE  17          3HG2      ILE  17   9.933   1.749  -2.394
  501   1HD1  ILE  17          1HD1      ILE  17   7.424   4.170  -2.805
  502   2HD1  ILE  17          2HD1      ILE  17   6.150   4.823  -1.773
  503   3HD1  ILE  17          3HD1      ILE  17   7.795   5.444  -1.642
  504    H    GLU  18           H        GLU  18   7.464   1.610  -4.406
  505    HA   GLU  18           HA       GLU  18   5.542   3.704  -4.833
  506   1HB   GLU  18          1HB       GLU  18   7.828   2.830  -6.148
  507   2HB   GLU  18          2HB       GLU  18   6.524   2.395  -7.243
  508   1HG   GLU  18          1HG       GLU  18   5.740   4.688  -7.259
  509   2HG   GLU  18          2HG       GLU  18   6.991   5.141  -6.103
  510    H    ARG  19           H        ARG  19   5.768   0.254  -5.520
  511    HA   ARG  19           HA       ARG  19   3.330   0.146  -7.010
  512   1HB   ARG  19          1HB       ARG  19   5.073  -1.967  -5.749
  513   2HB   ARG  19          2HB       ARG  19   3.579  -2.360  -6.587
  514   1HG   ARG  19          1HG       ARG  19   5.904  -0.899  -7.820
  515   2HG   ARG  19          2HG       ARG  19   5.586  -2.627  -7.991
  516   1HD   ARG  19          1HD       ARG  19   3.403  -2.095  -9.006
  517   2HD   ARG  19          2HD       ARG  19   3.786  -0.379  -8.887
  518    HE   ARG  19           HE       ARG  19   5.872  -1.408 -10.287
  519   1HH1  ARG  19          1HH1      ARG  19   2.412  -1.525 -10.661
  520   2HH1  ARG  19          2HH1      ARG  19   2.471  -1.639 -12.388
  521   1HH2  ARG  19          1HH2      ARG  19   5.963  -1.557 -12.562
  522   2HH2  ARG  19          2HH2      ARG  19   4.491  -1.658 -13.469
  523    H    LEU  20           H        LEU  20   4.197  -0.039  -3.653
  524    HA   LEU  20           HA       LEU  20   1.771  -1.248  -2.757
  525   1HB   LEU  20          1HB       LEU  20   4.138   0.007  -1.505
  526   2HB   LEU  20          2HB       LEU  20   2.658   0.079  -0.574
  527    HG   LEU  20           HG       LEU  20   2.513  -2.263  -0.389
  528   1HD1  LEU  20          1HD1      LEU  20   3.934  -2.240  -2.887
  529   2HD1  LEU  20          2HD1      LEU  20   4.699  -3.346  -1.748
  530   3HD1  LEU  20          3HD1      LEU  20   2.990  -3.531  -2.144
  531   1HD2  LEU  20          1HD2      LEU  20   5.365  -1.345  -0.135
  532   2HD2  LEU  20          2HD2      LEU  20   4.136  -1.442   1.125
  533   3HD2  LEU  20          3HD2      LEU  20   4.803  -2.918   0.428
  534    H    GLN  21           H        GLN  21   2.957   2.061  -3.098
  535    HA   GLN  21           HA       GLN  21   0.792   3.367  -1.869
  536   1HB   GLN  21          1HB       GLN  21   3.085   4.300  -2.640
  537   2HB   GLN  21          2HB       GLN  21   2.297   4.536  -4.194
  538   1HG   GLN  21          1HG       GLN  21   0.733   6.055  -3.270
  539   2HG   GLN  21          2HG       GLN  21   1.217   5.653  -1.623
  540   2HE2  GLN  21          2HE2      GLN  21   2.372   7.081  -4.634
  541   1HE2  GLN  21          1HE2      GLN  21   3.499   8.163  -3.899
  542    H    LYS  22           H        LYS  22   1.388   2.532  -5.276
  543    HA   LYS  22           HA       LYS  22  -1.003   3.637  -6.282
  544   1HB   LYS  22          1HB       LYS  22   1.168   2.702  -7.478
  545   2HB   LYS  22          2HB       LYS  22   0.210   1.230  -7.567
  546   1HG   LYS  22          1HG       LYS  22  -1.612   2.858  -8.531
  547   2HG   LYS  22          2HG       LYS  22  -0.202   3.848  -8.913
  548   1HD   LYS  22          1HD       LYS  22  -0.311   2.603 -10.824
  549   2HD   LYS  22          2HD       LYS  22   0.706   1.542  -9.847
  550   1HE   LYS  22          1HE       LYS  22  -1.297   0.277  -9.178
  551   2HE   LYS  22          2HE       LYS  22  -2.280   1.315 -10.209
  552   1HZ   LYS  22          1HZ       LYS  22   0.010  -0.046 -11.419
  553   2HZ   LYS  22          2HZ       LYS  22  -1.355  -0.976 -11.054
  554   3HZ   LYS  22          3HZ       LYS  22  -1.490   0.350 -12.094
  555    H    GLU  23           H        GLU  23  -0.244   0.572  -4.797
  556    HA   GLU  23           HA       GLU  23  -2.608  -0.798  -5.568
  557   1HB   GLU  23          1HB       GLU  23  -0.343  -1.674  -4.547
  558   2HB   GLU  23          2HB       GLU  23  -1.180  -1.437  -3.020
  559   1HG   GLU  23          1HG       GLU  23  -1.877  -3.294  -5.265
  560   2HG   GLU  23          2HG       GLU  23  -1.533  -3.678  -3.579
  561    H    ILE  24           H        ILE  24  -1.770   1.283  -2.860
  562    HA   ILE  24           HA       ILE  24  -4.079   0.714  -1.315
  563    HB   ILE  24           HB       ILE  24  -3.362   2.267   0.195
  564   1HG1  ILE  24          1HG1      ILE  24  -1.965   4.340  -0.554
  565   2HG1  ILE  24          2HG1      ILE  24  -2.622   3.991  -2.151
  566   1HG2  ILE  24          1HG2      ILE  24  -1.408   0.788  -0.732
  567   2HG2  ILE  24          2HG2      ILE  24  -0.750   2.351  -1.220
  568   3HG2  ILE  24          3HG2      ILE  24  -1.111   2.037   0.477
  569   1HD1  ILE  24          1HD1      ILE  24  -4.751   3.930  -0.270
  570   2HD1  ILE  24          2HD1      ILE  24  -3.821   5.412  -0.031
  571   3HD1  ILE  24          3HD1      ILE  24  -4.491   5.038  -1.619
  572    H    GLU  25           H        GLU  25  -3.330   3.150  -3.754
  573    HA   GLU  25           HA       GLU  25  -5.665   4.679  -3.548
  574   1HB   GLU  25          1HB       GLU  25  -3.409   4.801  -5.076
  575   2HB   GLU  25          2HB       GLU  25  -4.601   4.313  -6.272
  576   1HG   GLU  25          1HG       GLU  25  -5.537   6.330  -6.325
  577   2HG   GLU  25          2HG       GLU  25  -5.527   6.479  -4.568
  578    H    ARG  26           H        ARG  26  -4.936   1.803  -5.485
  579    HA   ARG  26           HA       ARG  26  -7.298   1.659  -6.951
  580   1HB   ARG  26          1HB       ARG  26  -5.052   0.003  -6.491
  581   2HB   ARG  26          2HB       ARG  26  -6.473  -0.980  -6.164
  582   1HG   ARG  26          1HG       ARG  26  -7.220  -0.872  -8.329
  583   2HG   ARG  26          2HG       ARG  26  -6.389   0.650  -8.654
  584   1HD   ARG  26          1HD       ARG  26  -4.499  -0.381  -9.290
  585   2HD   ARG  26          2HD       ARG  26  -4.603  -1.575  -7.997
  586    HE   ARG  26           HE       ARG  26  -6.552  -2.326  -9.735
  587   1HH1  ARG  26          1HH1      ARG  26  -3.144  -1.679 -10.038
  588   2HH1  ARG  26          2HH1      ARG  26  -2.914  -2.801 -11.337
  589   1HH2  ARG  26          1HH2      ARG  26  -6.260  -3.808 -11.445
  590   2HH2  ARG  26          2HH2      ARG  26  -4.685  -4.012 -12.137
  591    H    HIS  27           H        HIS  27  -6.525   0.240  -3.783
  592    HA   HIS  27           HA       HIS  27  -9.041  -0.939  -3.340
  593   1HB   HIS  27          1HB       HIS  27  -6.599  -0.580  -1.883
  594   2HB   HIS  27          2HB       HIS  27  -7.951  -0.154  -0.840
  595    HD1  HIS  27           HD1      HIS  27  -9.756  -2.064  -0.442
  596    HD2  HIS  27           HD2      HIS  27  -6.243  -3.271  -2.307
  597    HE1  HIS  27           HE1      HIS  27  -9.725  -4.573  -0.259
  598    HE2  HIS  27           HE2      HIS  27  -7.590  -5.282  -1.395
  599    H    LYS  28           H        LYS  28  -7.898   2.317  -3.054
  600    HA   LYS  28           HA       LYS  28  -9.975   3.263  -1.340
  601   1HB   LYS  28          1HB       LYS  28  -7.665   4.320  -1.805
  602   2HB   LYS  28          2HB       LYS  28  -8.419   4.989  -3.246
  603   1HG   LYS  28          1HG       LYS  28 -10.220   5.655  -1.310
  604   2HG   LYS  28          2HG       LYS  28  -8.686   5.772  -0.445
  605   1HD   LYS  28          1HD       LYS  28  -8.874   7.893  -1.326
  606   2HD   LYS  28          2HD       LYS  28  -7.922   7.084  -2.572
  607   1HE   LYS  28          1HE       LYS  28  -9.474   7.593  -4.074
  608   2HE   LYS  28          2HE       LYS  28 -10.649   6.638  -3.170
  609   1HZ   LYS  28          1HZ       LYS  28 -10.645   8.868  -1.736
  610   2HZ   LYS  28          2HZ       LYS  28 -10.268   9.519  -3.251
  611   3HZ   LYS  28          3HZ       LYS  28 -11.686   8.619  -3.047
  612    H    GLN  29           H        GLN  29  -9.607   2.811  -4.770
  613    HA   GLN  29           HA       GLN  29 -11.832   4.461  -5.511
  614   1HB   GLN  29          1HB       GLN  29  -9.810   3.747  -6.960
  615   2HB   GLN  29          2HB       GLN  29 -10.701   2.251  -7.208
  616   1HG   GLN  29          1HG       GLN  29 -11.510   3.348  -8.989
  617   2HG   GLN  29          2HG       GLN  29 -12.620   4.031  -7.802
  618   2HE2  GLN  29          2HE2      GLN  29 -12.600   5.631  -9.687
  619   1HE2  GLN  29          1HE2      GLN  29 -11.495   6.951  -9.542
  620    H    SER  30           H        SER  30 -11.321   1.075  -4.760
  621    HA   SER  30           HA       SER  30 -13.892   0.199  -5.657
  622   1HB   SER  30          1HB       SER  30 -11.593  -0.997  -4.215
  623   2HB   SER  30          2HB       SER  30 -13.165  -1.740  -3.924
  624    HG   SER  30           HG       SER  30 -11.572  -2.000  -6.045
  625    H    ILE  31           H        ILE  31 -12.525   1.141  -2.537
  626    HA   ILE  31           HA       ILE  31 -14.876   0.536  -1.032
  627    HB   ILE  31           HB       ILE  31 -12.794   0.545   0.126
  628   1HG1  ILE  31          1HG1      ILE  31 -13.158   2.447   1.840
  629   2HG1  ILE  31          2HG1      ILE  31 -14.598   2.827   0.910
  630   1HG2  ILE  31          1HG2      ILE  31 -12.177   2.725  -1.511
  631   2HG2  ILE  31          2HG2      ILE  31 -12.121   3.337   0.139
  632   3HG2  ILE  31          3HG2      ILE  31 -11.136   1.949  -0.318
  633   1HD1  ILE  31          1HD1      ILE  31 -14.020   0.151   2.132
  634   2HD1  ILE  31          2HD1      ILE  31 -15.009   1.406   2.876
  635   3HD1  ILE  31          3HD1      ILE  31 -15.517   0.670   1.358
  636    H    LYS  32           H        LYS  32 -13.728   3.312  -2.802
  637    HA   LYS  32           HA       LYS  32 -15.614   5.140  -1.625
  638   1HB   LYS  32          1HB       LYS  32 -13.598   5.284  -3.831
  639   2HB   LYS  32          2HB       LYS  32 -14.847   6.518  -3.731
  640   1HG   LYS  32          1HG       LYS  32 -13.358   5.909  -1.248
  641   2HG   LYS  32          2HG       LYS  32 -12.489   6.755  -2.530
  642   1HD   LYS  32          1HD       LYS  32 -13.781   8.630  -2.357
  643   2HD   LYS  32          2HD       LYS  32 -15.203   7.732  -1.823
  644   1HE   LYS  32          1HE       LYS  32 -13.970   7.328   0.347
  645   2HE   LYS  32          2HE       LYS  32 -12.784   8.508  -0.208
  646   1HZ   LYS  32          1HZ       LYS  32 -14.992   9.902  -0.566
  647   2HZ   LYS  32          2HZ       LYS  32 -15.525   8.913   0.698
  648   3HZ   LYS  32          3HZ       LYS  32 -14.160   9.890   0.909
  649    H    LYS  33           H        LYS  33 -15.477   3.081  -4.449
  650    HA   LYS  33           HA       LYS  33 -17.803   4.249  -5.681
  651   1HB   LYS  33          1HB       LYS  33 -15.760   2.848  -6.698
  652   2HB   LYS  33          2HB       LYS  33 -16.891   1.526  -6.446
  653   1HG   LYS  33          1HG       LYS  33 -18.512   2.543  -7.868
  654   2HG   LYS  33          2HG       LYS  33 -17.564   4.027  -7.976
  655   1HD   LYS  33          1HD       LYS  33 -15.913   3.004  -9.297
  656   2HD   LYS  33          2HD       LYS  33 -16.470   1.381  -8.885
  657   1HE   LYS  33          1HE       LYS  33 -18.515   1.743 -10.149
  658   2HE   LYS  33          2HE       LYS  33 -18.013   3.392 -10.520
  659   1HZ   LYS  33          1HZ       LYS  33 -16.427   1.017 -11.311
  660   2HZ   LYS  33          2HZ       LYS  33 -17.616   1.697 -12.306
  661   3HZ   LYS  33          3HZ       LYS  33 -16.261   2.607 -11.863
  662    H    LEU  34           H        LEU  34 -17.118   1.614  -3.504
  663    HA   LEU  34           HA       LEU  34 -19.718   0.403  -3.782
  664   1HB   LEU  34          1HB       LEU  34 -17.301  -0.074  -2.105
  665   2HB   LEU  34          2HB       LEU  34 -18.833  -0.723  -1.551
  666    HG   LEU  34           HG       LEU  34 -17.968  -1.285  -4.352
  667   1HD1  LEU  34          1HD1      LEU  34 -16.059  -1.722  -2.694
  668   2HD1  LEU  34          2HD1      LEU  34 -17.077  -3.026  -2.083
  669   3HD1  LEU  34          3HD1      LEU  34 -16.548  -3.034  -3.765
  670   1HD2  LEU  34          1HD2      LEU  34 -20.209  -1.923  -3.498
  671   2HD2  LEU  34          2HD2      LEU  34 -19.236  -3.297  -4.024
  672   3HD2  LEU  34          3HD2      LEU  34 -19.418  -2.953  -2.304
  673    H    LYS  35           H        LYS  35 -18.177   2.739  -1.692
  674    HA   LYS  35           HA       LYS  35 -20.277   2.730   0.272
  675   1HB   LYS  35          1HB       LYS  35 -17.734   3.476   0.442
  676   2HB   LYS  35          2HB       LYS  35 -18.407   5.036  -0.013
  677   1HG   LYS  35          1HG       LYS  35 -20.089   4.156   1.995
  678   2HG   LYS  35          2HG       LYS  35 -18.482   3.652   2.527
  679   1HD   LYS  35          1HD       LYS  35 -19.207   6.440   1.628
  680   2HD   LYS  35          2HD       LYS  35 -19.107   5.919   3.311
  681   1HE   LYS  35          1HE       LYS  35 -16.719   5.176   1.899
  682   2HE   LYS  35          2HE       LYS  35 -17.036   6.898   1.688
  683   1HZ   LYS  35          1HZ       LYS  35 -17.230   7.087   4.114
  684   2HZ   LYS  35          2HZ       LYS  35 -16.821   5.452   4.273
  685   3HZ   LYS  35          3HZ       LYS  35 -15.699   6.547   3.636
  686    H    GLN  36           H        GLN  36 -19.487   4.547  -2.615
  687    HA   GLN  36           HA       GLN  36 -21.516   6.546  -2.150
  688   1HB   GLN  36          1HB       GLN  36 -19.356   6.101  -4.060
  689   2HB   GLN  36          2HB       GLN  36 -20.821   6.696  -4.829
  690   1HG   GLN  36          1HG       GLN  36 -20.154   8.136  -2.393
  691   2HG   GLN  36          2HG       GLN  36 -18.890   8.224  -3.620
  692   2HE2  GLN  36          2HE2      GLN  36 -22.439   8.354  -3.479
  693   1HE2  GLN  36          1HE2      GLN  36 -22.599   9.725  -4.519
  694    H    SER  37           H        SER  37 -21.254   3.484  -3.753
  695    HA   SER  37           HA       SER  37 -23.660   3.824  -5.312
  696   1HB   SER  37          1HB       SER  37 -21.672   1.625  -4.908
  697   2HB   SER  37          2HB       SER  37 -23.260   1.223  -5.560
  698    HG   SER  37           HG       SER  37 -22.083   1.703  -7.320
  699    H    GLU  38           H        GLU  38 -22.771   2.592  -2.195
  700    HA   GLU  38           HA       GLU  38 -25.198   1.102  -1.788
  701   1HB   GLU  38          1HB       GLU  38 -22.814   0.875  -0.652
  702   2HB   GLU  38          2HB       GLU  38 -23.504   2.016   0.494
  703   1HG   GLU  38          1HG       GLU  38 -25.193  -0.299  -0.160
  704   2HG   GLU  38          2HG       GLU  38 -23.703  -0.659   0.709
  705    H    ASP  39           H        ASP  39 -24.137   4.364  -1.321
  706    HA   ASP  39           HA       ASP  39 -26.163   5.089   0.571
  707   1HB   ASP  39          1HB       ASP  39 -23.835   6.236  -0.100
  708   2HB   ASP  39          2HB       ASP  39 -24.906   7.167  -1.145
  709    H    ASP  40           H        ASP  40 -25.951   4.869  -2.877
  710    HA   ASP  40           HA       ASP  40 -28.764   5.328  -3.156
  711   1HB   ASP  40          1HB       ASP  40 -28.608   7.237  -4.696
  712   2HB   ASP  40          2HB       ASP  40 -27.997   7.656  -3.099
  713    H    ASP  41           H        ASP  41 -28.780   3.293  -4.086
  714    HA   ASP  41           HA       ASP  41 -27.088   2.274  -6.011
  715   1HB   ASP  41          1HB       ASP  41 -29.721   1.644  -4.981
  716   2HB   ASP  41          2HB       ASP  41 -29.620   1.301  -6.705

  No H/Q in entry =         716
  Start of MODEL   11
    1    H1   ALA   1           H1       ALA   1 -30.248 -14.438   3.540
    2    H2   ALA   1           H2       ALA   1 -30.969 -15.890   2.978
    3    H3   ALA   1           H3       ALA   1 -29.829 -15.065   1.999
    4    HA   ALA   1           HA       ALA   1 -31.938 -14.635   1.146
    5   1HB   ALA   1          1HB       ALA   1 -32.615 -14.182   4.016
    6   2HB   ALA   1          2HB       ALA   1 -33.472 -15.117   2.791
    7   3HB   ALA   1          3HB       ALA   1 -33.540 -13.355   2.762
    8    H    LEU   2           H        LEU   2 -31.512 -12.288   3.769
    9    HA   LEU   2           HA       LEU   2 -31.548 -10.043   2.123
   10   1HB   LEU   2          1HB       LEU   2 -30.372 -10.467   4.865
   11   2HB   LEU   2          2HB       LEU   2 -30.430  -8.895   4.088
   12    HG   LEU   2           HG       LEU   2 -32.285  -8.925   5.520
   13   1HD1  LEU   2          1HD1      LEU   2 -32.766  -8.189   3.192
   14   2HD1  LEU   2          2HD1      LEU   2 -33.402  -9.800   2.863
   15   3HD1  LEU   2          3HD1      LEU   2 -34.180  -8.773   4.067
   16   1HD2  LEU   2          1HD2      LEU   2 -32.116 -11.506   5.719
   17   2HD2  LEU   2          2HD2      LEU   2 -33.674 -10.718   5.968
   18   3HD2  LEU   2          3HD2      LEU   2 -33.322 -11.509   4.432
   19    H    LYS   3           H        LYS   3 -29.614  -8.412   2.163
   20    HA   LYS   3           HA       LYS   3 -27.447  -9.732   0.761
   21   1HB   LYS   3          1HB       LYS   3 -28.277  -6.871   1.139
   22   2HB   LYS   3          2HB       LYS   3 -26.684  -7.262   0.505
   23   1HG   LYS   3          1HG       LYS   3 -27.587  -7.392  -1.510
   24   2HG   LYS   3          2HG       LYS   3 -28.483  -8.812  -0.971
   25   1HD   LYS   3          1HD       LYS   3 -30.233  -7.229  -0.085
   26   2HD   LYS   3          2HD       LYS   3 -29.378  -5.937  -0.927
   27   1HE   LYS   3          1HE       LYS   3 -31.297  -6.892  -2.200
   28   2HE   LYS   3          2HE       LYS   3 -29.753  -6.974  -3.048
   29   1HZ   LYS   3          1HZ       LYS   3 -30.776  -9.249  -1.460
   30   2HZ   LYS   3          2HZ       LYS   3 -31.209  -9.033  -3.081
   31   3HZ   LYS   3          3HZ       LYS   3 -29.585  -9.256  -2.662
   32    H    LYS   4           H        LYS   4 -27.098  -6.910   2.854
   33    HA   LYS   4           HA       LYS   4 -25.513  -6.389   4.408
   34   1HB   LYS   4          1HB       LYS   4 -25.731  -9.207   5.419
   35   2HB   LYS   4          2HB       LYS   4 -25.540  -7.717   6.333
   36   1HG   LYS   4          1HG       LYS   4 -28.027  -8.267   4.757
   37   2HG   LYS   4          2HG       LYS   4 -27.810  -8.894   6.391
   38   1HD   LYS   4          1HD       LYS   4 -27.091  -6.133   6.356
   39   2HD   LYS   4          2HD       LYS   4 -28.675  -6.319   5.604
   40   1HE   LYS   4          1HE       LYS   4 -27.822  -7.202   8.353
   41   2HE   LYS   4          2HE       LYS   4 -29.024  -5.981   7.937
   42   1HZ   LYS   4          1HZ       LYS   4 -29.731  -8.407   6.713
   43   2HZ   LYS   4          2HZ       LYS   4 -29.420  -8.711   8.346
   44   3HZ   LYS   4          3HZ       LYS   4 -30.567  -7.548   7.907
   45    H    HIS   5           H        HIS   5 -24.616  -7.674   1.874
   46    HA   HIS   5           HA       HIS   5 -22.118  -8.924   2.783
   47   1HB   HIS   5          1HB       HIS   5 -21.902  -9.479   0.282
   48   2HB   HIS   5          2HB       HIS   5 -23.129 -10.342   1.203
   49    HD1  HIS   5           HD1      HIS   5 -25.201 -10.572  -0.105
   50    HD2  HIS   5           HD2      HIS   5 -23.283  -6.970  -0.894
   51    HE1  HIS   5           HE1      HIS   5 -26.651  -9.392  -1.787
   52    HE2  HIS   5           HE2      HIS   5 -25.472  -7.214  -2.250
   53    H    HIS   6           H        HIS   6 -23.450  -6.202   1.067
   54    HA   HIS   6           HA       HIS   6 -20.966  -5.261   0.010
   55   1HB   HIS   6          1HB       HIS   6 -23.744  -4.185   0.222
   56   2HB   HIS   6          2HB       HIS   6 -22.433  -3.056  -0.101
   57    HD1  HIS   6           HD1      HIS   6 -21.482  -6.096  -1.675
   58    HD2  HIS   6           HD2      HIS   6 -24.146  -3.045  -2.602
   59    HE1  HIS   6           HE1      HIS   6 -21.898  -6.296  -4.147
   60    HE2  HIS   6           HE2      HIS   6 -23.513  -4.439  -4.687
   61    H    GLU   7           H        GLU   7 -22.859  -4.627   2.915
   62    HA   GLU   7           HA       GLU   7 -21.405  -2.404   3.840
   63   1HB   GLU   7          1HB       GLU   7 -23.546  -2.923   4.811
   64   2HB   GLU   7          2HB       GLU   7 -22.982  -4.507   5.329
   65   1HG   GLU   7          1HG       GLU   7 -21.454  -2.212   6.353
   66   2HG   GLU   7          2HG       GLU   7 -23.114  -2.354   6.930
   67    H    ASN   8           H        ASN   8 -20.848  -5.849   4.065
   68    HA   ASN   8           HA       ASN   8 -18.783  -5.714   6.020
   69   1HB   ASN   8          1HB       ASN   8 -19.608  -7.815   4.019
   70   2HB   ASN   8          2HB       ASN   8 -18.205  -8.030   5.062
   71   2HD2  ASN   8          2HD2      ASN   8 -19.785  -9.915   5.514
   72   1HD2  ASN   8          1HD2      ASN   8 -20.823  -9.686   6.876
   73    H    GLU   9           H        GLU   9 -18.688  -6.247   2.494
   74    HA   GLU   9           HA       GLU   9 -15.910  -6.070   2.218
   75   1HB   GLU   9          1HB       GLU   9 -18.184  -6.243   0.492
   76   2HB   GLU   9          2HB       GLU   9 -17.121  -4.981  -0.112
   77   1HG   GLU   9          1HG       GLU   9 -16.516  -7.018  -1.172
   78   2HG   GLU   9          2HG       GLU   9 -15.243  -6.610  -0.023
   79    H    ILE  10           H        ILE  10 -18.266  -3.651   2.842
   80    HA   ILE  10           HA       ILE  10 -16.859  -1.428   1.771
   81    HB   ILE  10           HB       ILE  10 -19.397  -1.879   2.863
   82   1HG1  ILE  10          1HG1      ILE  10 -19.017   0.909   2.395
   83   2HG1  ILE  10          2HG1      ILE  10 -18.057   0.001   1.233
   84   1HG2  ILE  10          1HG2      ILE  10 -18.627  -1.297   5.103
   85   2HG2  ILE  10          2HG2      ILE  10 -18.033   0.250   4.503
   86   3HG2  ILE  10          3HG2      ILE  10 -19.762  -0.100   4.481
   87   1HD1  ILE  10          1HD1      ILE  10 -20.671  -1.156   1.497
   88   2HD1  ILE  10          2HD1      ILE  10 -20.782   0.563   1.114
   89   3HD1  ILE  10          3HD1      ILE  10 -19.863  -0.517   0.066
   90    H    SER  11           H        SER  11 -17.250  -2.670   5.087
   91    HA   SER  11           HA       SER  11 -15.509  -0.806   6.290
   92   1HB   SER  11          1HB       SER  11 -15.744  -2.064   8.259
   93   2HB   SER  11          2HB       SER  11 -17.249  -2.371   7.391
   94    HG   SER  11           HG       SER  11 -15.364  -4.116   8.172
   95    H    HIS  12           H        HIS  12 -14.941  -3.719   4.514
   96    HA   HIS  12           HA       HIS  12 -12.297  -4.139   5.538
   97   1HB   HIS  12          1HB       HIS  12 -12.768  -6.171   4.724
   98   2HB   HIS  12          2HB       HIS  12 -14.162  -5.551   3.858
   99    HD1  HIS  12           HD1      HIS  12 -10.403  -5.863   3.335
  100    HD2  HIS  12           HD2      HIS  12 -13.952  -5.778   1.179
  101    HE1  HIS  12           HE1      HIS  12  -9.750  -6.330   0.951
  102    HE2  HIS  12           HE2      HIS  12 -11.915  -6.279  -0.338
  103    H    HIS  13           H        HIS  13 -13.669  -2.658   2.607
  104    HA   HIS  13           HA       HIS  13 -11.156  -2.124   1.399
  105   1HB   HIS  13          1HB       HIS  13 -13.673  -0.513   0.989
  106   2HB   HIS  13          2HB       HIS  13 -12.322  -0.690  -0.119
  107    HD1  HIS  13           HD1      HIS  13 -12.246  -3.894   0.205
  108    HD2  HIS  13           HD2      HIS  13 -15.501  -1.515  -0.782
  109    HE1  HIS  13           HE1      HIS  13 -13.828  -5.409  -1.037
  110    HE2  HIS  13           HE2      HIS  13 -15.798  -3.948  -1.625
  111    H    ALA  14           H        ALA  14 -12.996  -0.591   3.899
  112    HA   ALA  14           HA       ALA  14 -11.781   1.977   3.744
  113   1HB   ALA  14          1HB       ALA  14 -12.704   2.292   6.023
  114   2HB   ALA  14          2HB       ALA  14 -13.904   1.714   4.866
  115   3HB   ALA  14          3HB       ALA  14 -13.190   0.596   6.028
  116    H    LYS  15           H        LYS  15 -11.306  -0.768   5.968
  117    HA   LYS  15           HA       LYS  15  -8.981   0.349   7.166
  118   1HB   LYS  15          1HB       LYS  15 -10.368  -2.287   7.226
  119   2HB   LYS  15          2HB       LYS  15  -8.687  -2.243   7.742
  120   1HG   LYS  15          1HG       LYS  15 -10.782  -0.410   8.871
  121   2HG   LYS  15          2HG       LYS  15 -10.418  -1.996   9.555
  122   1HD   LYS  15          1HD       LYS  15  -8.772  -1.060  10.719
  123   2HD   LYS  15          2HD       LYS  15  -7.945  -0.714   9.199
  124   1HE   LYS  15          1HE       LYS  15  -8.109   1.430   9.828
  125   2HE   LYS  15          2HE       LYS  15  -9.784   1.294   9.298
  126   1HZ   LYS  15          1HZ       LYS  15  -9.392   0.373  11.982
  127   2HZ   LYS  15          2HZ       LYS  15  -8.955   1.996  11.789
  128   3HZ   LYS  15          3HZ       LYS  15 -10.514   1.485  11.377
  129    H    GLU  16           H        GLU  16  -9.536  -1.085   4.146
  130    HA   GLU  16           HA       GLU  16  -6.910  -2.226   3.837
  131   1HB   GLU  16          1HB       GLU  16  -9.418  -2.237   2.365
  132   2HB   GLU  16          2HB       GLU  16  -8.035  -1.999   1.306
  133   1HG   GLU  16          1HG       GLU  16  -8.777  -4.379   1.671
  134   2HG   GLU  16          2HG       GLU  16  -7.065  -4.042   1.930
  135    H    ILE  17           H        ILE  17  -8.614   0.717   2.817
  136    HA   ILE  17           HA       ILE  17  -6.433   1.628   1.182
  137    HB   ILE  17           HB       ILE  17  -8.616   2.440   0.638
  138   1HG1  ILE  17          1HG1      ILE  17  -6.874   4.601   1.837
  139   2HG1  ILE  17          2HG1      ILE  17  -6.892   4.045   0.167
  140   1HG2  ILE  17          1HG2      ILE  17  -8.721   3.385   3.490
  141   2HG2  ILE  17          2HG2      ILE  17  -9.830   3.966   2.247
  142   3HG2  ILE  17          3HG2      ILE  17  -9.798   2.255   2.668
  143   1HD1  ILE  17          1HD1      ILE  17  -9.340   4.855   0.173
  144   2HD1  ILE  17          2HD1      ILE  17  -8.863   5.762   1.607
  145   3HD1  ILE  17          3HD1      ILE  17  -8.040   6.043   0.072
  146    H    GLU  18           H        GLU  18  -7.438   2.053   4.516
  147    HA   GLU  18           HA       GLU  18  -5.531   4.121   5.079
  148   1HB   GLU  18          1HB       GLU  18  -7.698   2.822   6.453
  149   2HB   GLU  18          2HB       GLU  18  -6.274   2.841   7.484
  150   1HG   GLU  18          1HG       GLU  18  -6.125   5.209   7.374
  151   2HG   GLU  18          2HG       GLU  18  -7.349   5.286   6.108
  152    H    ARG  19           H        ARG  19  -5.704   0.620   5.573
  153    HA   ARG  19           HA       ARG  19  -3.206   0.471   6.958
  154   1HB   ARG  19          1HB       ARG  19  -4.961  -1.608   5.653
  155   2HB   ARG  19          2HB       ARG  19  -3.440  -2.012   6.435
  156   1HG   ARG  19          1HG       ARG  19  -5.785  -0.679   7.773
  157   2HG   ARG  19          2HG       ARG  19  -5.364  -2.389   7.897
  158   1HD   ARG  19          1HD       ARG  19  -4.354  -1.613   9.790
  159   2HD   ARG  19          2HD       ARG  19  -3.032  -1.393   8.642
  160    HE   ARG  19           HE       ARG  19  -4.738   0.905   8.884
  161   1HH1  ARG  19          1HH1      ARG  19  -1.987  -0.767  10.213
  162   2HH1  ARG  19          2HH1      ARG  19  -1.300   0.657  10.920
  163   1HH2  ARG  19          1HH2      ARG  19  -3.840   2.787   9.810
  164   2HH2  ARG  19          2HH2      ARG  19  -2.353   2.677  10.691
  165    H    LEU  20           H        LEU  20  -4.175   0.529   3.641
  166    HA   LEU  20           HA       LEU  20  -1.789  -0.642   2.583
  167   1HB   LEU  20          1HB       LEU  20  -4.194   0.693   1.496
  168   2HB   LEU  20          2HB       LEU  20  -2.747   0.826   0.524
  169    HG   LEU  20           HG       LEU  20  -4.358  -1.104   0.022
  170   1HD1  LEU  20          1HD1      LEU  20  -2.015  -0.834  -0.818
  171   2HD1  LEU  20          2HD1      LEU  20  -1.487  -1.849   0.524
  172   3HD1  LEU  20          3HD1      LEU  20  -2.577  -2.501  -0.698
  173   1HD2  LEU  20          1HD2      LEU  20  -3.922  -1.648   2.724
  174   2HD2  LEU  20          2HD2      LEU  20  -4.739  -2.676   1.547
  175   3HD2  LEU  20          3HD2      LEU  20  -3.014  -2.881   1.852
  176    H    GLN  21           H        GLN  21  -2.939   2.632   3.223
  177    HA   GLN  21           HA       GLN  21  -0.811   4.017   2.003
  178   1HB   GLN  21          1HB       GLN  21  -2.781   4.706   4.163
  179   2HB   GLN  21          2HB       GLN  21  -1.478   5.817   3.766
  180   1HG   GLN  21          1HG       GLN  21  -2.499   5.236   1.303
  181   2HG   GLN  21          2HG       GLN  21  -3.939   5.207   2.320
  182   2HE2  GLN  21          2HE2      GLN  21  -1.275   7.151   1.176
  183   1HE2  GLN  21          1HE2      GLN  21  -1.969   8.684   1.567
  184    H    LYS  22           H        LYS  22  -1.318   3.015   5.384
  185    HA   LYS  22           HA       LYS  22   1.146   3.989   6.352
  186   1HB   LYS  22          1HB       LYS  22  -1.037   2.324   7.340
  187   2HB   LYS  22          2HB       LYS  22   0.529   1.815   7.959
  188   1HG   LYS  22          1HG       LYS  22  -0.543   4.623   8.126
  189   2HG   LYS  22          2HG       LYS  22  -0.636   3.428   9.420
  190   1HD   LYS  22          1HD       LYS  22   1.306   4.361  10.082
  191   2HD   LYS  22          2HD       LYS  22   2.003   3.325   8.834
  192   1HE   LYS  22          1HE       LYS  22   2.552   5.069   7.543
  193   2HE   LYS  22          2HE       LYS  22   0.999   5.862   7.803
  194   1HZ   LYS  22          1HZ       LYS  22   2.400   6.022  10.193
  195   2HZ   LYS  22          2HZ       LYS  22   3.496   6.444   8.974
  196   3HZ   LYS  22          3HZ       LYS  22   2.035   7.282   9.126
  197    H    GLU  23           H        GLU  23   0.236   1.069   4.699
  198    HA   GLU  23           HA       GLU  23   2.546  -0.456   5.328
  199   1HB   GLU  23          1HB       GLU  23   0.162  -0.781   3.768
  200   2HB   GLU  23          2HB       GLU  23   1.550  -1.257   2.799
  201   1HG   GLU  23          1HG       GLU  23   1.295  -3.237   3.792
  202   2HG   GLU  23          2HG       GLU  23   2.108  -2.476   5.158
  203    H    ILE  24           H        ILE  24   1.748   1.833   2.773
  204    HA   ILE  24           HA       ILE  24   4.012   1.284   1.162
  205    HB   ILE  24           HB       ILE  24   3.346   2.971  -0.227
  206   1HG1  ILE  24          1HG1      ILE  24   2.018   5.023   0.683
  207   2HG1  ILE  24          2HG1      ILE  24   2.672   4.540   2.246
  208   1HG2  ILE  24          1HG2      ILE  24   1.345   1.492   0.651
  209   2HG2  ILE  24          2HG2      ILE  24   0.740   3.061   1.184
  210   3HG2  ILE  24          3HG2      ILE  24   1.103   2.788  -0.520
  211   1HD1  ILE  24          1HD1      ILE  24   4.798   4.546   0.372
  212   2HD1  ILE  24          2HD1      ILE  24   3.906   6.060   0.206
  213   3HD1  ILE  24          3HD1      ILE  24   4.557   5.588   1.776
  214    H    GLU  25           H        GLU  25   3.389   3.575   3.770
  215    HA   GLU  25           HA       GLU  25   5.776   5.029   3.632
  216   1HB   GLU  25          1HB       GLU  25   3.621   5.341   5.107
  217   2HB   GLU  25          2HB       GLU  25   4.523   4.386   6.276
  218   1HG   GLU  25          1HG       GLU  25   6.154   6.012   6.539
  219   2HG   GLU  25          2HG       GLU  25   5.756   6.797   5.012
  220    H    ARG  26           H        ARG  26   4.978   2.041   5.362
  221    HA   ARG  26           HA       ARG  26   7.360   1.703   6.762
  222   1HB   ARG  26          1HB       ARG  26   5.094   0.305   6.664
  223   2HB   ARG  26          2HB       ARG  26   6.049  -0.699   5.582
  224   1HG   ARG  26          1HG       ARG  26   6.117  -1.507   7.888
  225   2HG   ARG  26          2HG       ARG  26   7.715  -1.029   7.311
  226   1HD   ARG  26          1HD       ARG  26   7.136  -0.290   9.647
  227   2HD   ARG  26          2HD       ARG  26   7.658   0.988   8.551
  228    HE   ARG  26           HE       ARG  26   5.593   1.948   8.752
  229   1HH1  ARG  26          1HH1      ARG  26   5.420  -1.351   9.855
  230   2HH1  ARG  26          2HH1      ARG  26   3.801  -1.204  10.451
  231   1HH2  ARG  26          1HH2      ARG  26   3.460   2.153   9.535
  232   2HH2  ARG  26          2HH2      ARG  26   2.686   0.789  10.269
  233    H    HIS  27           H        HIS  27   6.477   0.571   3.508
  234    HA   HIS  27           HA       HIS  27   8.936  -0.681   2.939
  235   1HB   HIS  27          1HB       HIS  27   6.508   0.025   1.489
  236   2HB   HIS  27          2HB       HIS  27   7.948   0.182   0.489
  237    HD1  HIS  27           HD1      HIS  27   9.607  -2.138   0.962
  238    HD2  HIS  27           HD2      HIS  27   5.468  -2.437   1.177
  239    HE1  HIS  27           HE1      HIS  27   9.091  -4.577   0.631
  240    HE2  HIS  27           HE2      HIS  27   6.579  -4.735   0.765
  241    H    LYS  28           H        LYS  28   7.928   2.628   2.912
  242    HA   LYS  28           HA       LYS  28   9.975   3.622   1.195
  243   1HB   LYS  28          1HB       LYS  28   7.877   4.847   1.612
  244   2HB   LYS  28          2HB       LYS  28   8.346   5.066   3.292
  245   1HG   LYS  28          1HG       LYS  28  10.189   6.025   1.165
  246   2HG   LYS  28          2HG       LYS  28   8.729   6.953   1.513
  247   1HD   LYS  28          1HD       LYS  28  10.204   6.126   3.900
  248   2HD   LYS  28          2HD       LYS  28  11.116   7.196   2.832
  249   1HE   LYS  28          1HE       LYS  28   8.461   8.191   3.049
  250   2HE   LYS  28          2HE       LYS  28   9.060   7.859   4.673
  251   1HZ   LYS  28          1HZ       LYS  28  10.695   9.360   2.725
  252   2HZ   LYS  28          2HZ       LYS  28   9.523  10.141   3.663
  253   3HZ   LYS  28          3HZ       LYS  28  10.811   9.341   4.412
  254    H    GLN  29           H        GLN  29   9.670   3.102   4.655
  255    HA   GLN  29           HA       GLN  29  12.063   4.494   5.356
  256   1HB   GLN  29          1HB       GLN  29   9.926   3.595   6.768
  257   2HB   GLN  29          2HB       GLN  29  11.112   2.357   7.156
  258   1HG   GLN  29          1HG       GLN  29  11.753   3.741   8.775
  259   2HG   GLN  29          2HG       GLN  29  12.559   4.642   7.491
  260   2HE2  GLN  29          2HE2      GLN  29  12.338   6.546   8.718
  261   1HE2  GLN  29          1HE2      GLN  29  10.830   7.381   8.815
  262    H    SER  30           H        SER  30  11.278   1.213   4.438
  263    HA   SER  30           HA       SER  30  13.760   0.073   5.278
  264   1HB   SER  30          1HB       SER  30  11.440  -1.065   4.722
  265   2HB   SER  30          2HB       SER  30  12.121  -1.157   3.098
  266    HG   SER  30           HG       SER  30  14.014  -2.123   4.228
  267    H    ILE  31           H        ILE  31  12.526   1.449   2.292
  268    HA   ILE  31           HA       ILE  31  14.723   0.673   0.657
  269    HB   ILE  31           HB       ILE  31  12.617   1.191  -0.367
  270   1HG1  ILE  31          1HG1      ILE  31  13.302   2.910  -2.045
  271   2HG1  ILE  31          2HG1      ILE  31  14.715   3.259  -1.051
  272   1HG2  ILE  31          1HG2      ILE  31  12.958   3.919   0.856
  273   2HG2  ILE  31          2HG2      ILE  31  11.774   3.551  -0.399
  274   3HG2  ILE  31          3HG2      ILE  31  11.679   2.748   1.166
  275   1HD1  ILE  31          1HD1      ILE  31  15.143   0.696  -1.309
  276   2HD1  ILE  31          2HD1      ILE  31  14.100   0.879  -2.717
  277   3HD1  ILE  31          3HD1      ILE  31  15.587   1.817  -2.594
  278    H    LYS  32           H        LYS  32  14.006   3.492   2.637
  279    HA   LYS  32           HA       LYS  32  16.228   5.024   1.661
  280   1HB   LYS  32          1HB       LYS  32  14.233   5.340   3.872
  281   2HB   LYS  32          2HB       LYS  32  15.677   6.342   3.868
  282   1HG   LYS  32          1HG       LYS  32  13.975   6.166   1.422
  283   2HG   LYS  32          2HG       LYS  32  13.506   7.213   2.763
  284   1HD   LYS  32          1HD       LYS  32  15.537   8.459   2.594
  285   2HD   LYS  32          2HD       LYS  32  16.214   7.306   1.442
  286   1HE   LYS  32          1HE       LYS  32  15.416   8.576  -0.196
  287   2HE   LYS  32          2HE       LYS  32  13.790   8.138   0.327
  288   1HZ   LYS  32          1HZ       LYS  32  14.279  10.072   2.039
  289   2HZ   LYS  32          2HZ       LYS  32  15.293  10.597   0.789
  290   3HZ   LYS  32          3HZ       LYS  32  13.641  10.377   0.502
  291    H    LYS  33           H        LYS  33  15.637   2.840   4.334
  292    HA   LYS  33           HA       LYS  33  18.080   3.429   5.705
  293   1HB   LYS  33          1HB       LYS  33  15.804   1.610   6.051
  294   2HB   LYS  33          2HB       LYS  33  17.338   0.929   6.572
  295   1HG   LYS  33          1HG       LYS  33  17.680   2.663   8.145
  296   2HG   LYS  33          2HG       LYS  33  16.361   3.624   7.473
  297   1HD   LYS  33          1HD       LYS  33  14.763   1.889   8.181
  298   2HD   LYS  33          2HD       LYS  33  16.093   0.972   8.889
  299   1HE   LYS  33          1HE       LYS  33  16.486   3.359  10.071
  300   2HE   LYS  33          2HE       LYS  33  14.737   3.408   9.855
  301   1HZ   LYS  33          1HZ       LYS  33  15.730   0.909  10.898
  302   2HZ   LYS  33          2HZ       LYS  33  15.997   2.231  11.918
  303   3HZ   LYS  33          3HZ       LYS  33  14.427   1.855  11.413
  304    H    LEU  34           H        LEU  34  17.088   1.272   3.172
  305    HA   LEU  34           HA       LEU  34  19.334  -0.484   3.327
  306   1HB   LEU  34          1HB       LEU  34  16.921  -0.471   1.977
  307   2HB   LEU  34          2HB       LEU  34  18.093  -0.229   0.698
  308    HG   LEU  34           HG       LEU  34  17.810  -2.541   0.762
  309   1HD1  LEU  34          1HD1      LEU  34  20.266  -1.461   1.585
  310   2HD1  LEU  34          2HD1      LEU  34  20.011  -2.913   2.552
  311   3HD1  LEU  34          3HD1      LEU  34  19.975  -3.008   0.792
  312   1HD2  LEU  34          1HD2      LEU  34  16.611  -2.366   3.035
  313   2HD2  LEU  34          2HD2      LEU  34  17.456  -3.862   2.637
  314   3HD2  LEU  34          3HD2      LEU  34  18.200  -2.691   3.725
  315    H    LYS  35           H        LYS  35  18.519   2.363   1.381
  316    HA   LYS  35           HA       LYS  35  20.843   2.303  -0.232
  317   1HB   LYS  35          1HB       LYS  35  18.524   3.829  -0.119
  318   2HB   LYS  35          2HB       LYS  35  19.800   4.979   0.254
  319   1HG   LYS  35          1HG       LYS  35  19.711   3.198  -2.172
  320   2HG   LYS  35          2HG       LYS  35  19.288   4.911  -2.135
  321   1HD   LYS  35          1HD       LYS  35  21.427   5.318  -2.625
  322   2HD   LYS  35          2HD       LYS  35  21.797   4.822  -0.972
  323   1HE   LYS  35          1HE       LYS  35  21.846   2.433  -1.931
  324   2HE   LYS  35          2HE       LYS  35  21.964   3.223  -3.504
  325   1HZ   LYS  35          1HZ       LYS  35  23.947   4.386  -2.700
  326   2HZ   LYS  35          2HZ       LYS  35  23.847   3.554  -1.231
  327   3HZ   LYS  35          3HZ       LYS  35  24.147   2.707  -2.665
  328    H    GLN  36           H        GLN  36  20.099   3.808   2.866
  329    HA   GLN  36           HA       GLN  36  22.553   5.269   3.023
  330   1HB   GLN  36          1HB       GLN  36  20.391   5.812   4.244
  331   2HB   GLN  36          2HB       GLN  36  20.776   4.486   5.332
  332   1HG   GLN  36          1HG       GLN  36  21.443   6.604   6.291
  333   2HG   GLN  36          2HG       GLN  36  22.855   5.602   5.959
  334   2HE2  GLN  36          2HE2      GLN  36  24.117   7.517   6.024
  335   1HE2  GLN  36          1HE2      GLN  36  24.171   8.585   4.667
  336    H    SER  37           H        SER  37  21.555   2.047   3.788
  337    HA   SER  37           HA       SER  37  23.703   1.475   5.598
  338   1HB   SER  37          1HB       SER  37  21.917   0.051   5.971
  339   2HB   SER  37          2HB       SER  37  21.563  -0.125   4.252
  340    HG   SER  37           HG       SER  37  22.490  -2.021   4.945
  341    H    GLU  38           H        GLU  38  23.131   1.097   2.149
  342    HA   GLU  38           HA       GLU  38  25.404  -0.522   1.627
  343   1HB   GLU  38          1HB       GLU  38  23.226   0.360   0.167
  344   2HB   GLU  38          2HB       GLU  38  24.578   1.199  -0.583
  345   1HG   GLU  38          1HG       GLU  38  25.629  -1.248  -0.453
  346   2HG   GLU  38          2HG       GLU  38  23.921  -1.681  -0.527
  347    H    ASP  39           H        ASP  39  24.931   2.876   2.076
  348    HA   ASP  39           HA       ASP  39  27.335   3.726   0.783
  349   1HB   ASP  39          1HB       ASP  39  25.352   5.201   1.180
  350   2HB   ASP  39          2HB       ASP  39  25.737   5.183   2.898
  351    H    ASP  40           H        ASP  40  26.533   2.491   3.913
  352    HA   ASP  40           HA       ASP  40  27.843   1.851   5.665
  353   1HB   ASP  40          1HB       ASP  40  30.226   2.738   4.032
  354   2HB   ASP  40          2HB       ASP  40  30.213   1.601   5.377
  355    H    ASP  41           H        ASP  41  29.512   2.782   7.254
  356    HA   ASP  41           HA       ASP  41  28.987   5.663   7.490
  357   1HB   ASP  41          1HB       ASP  41  29.960   3.890   9.721
  358   2HB   ASP  41          2HB       ASP  41  29.124   5.435   9.833
  359    H1   ALA   1           H1       ALA   1  30.248 -14.435  -3.551
  360    H2   ALA   1           H2       ALA   1  30.969 -15.888  -2.989
  361    H3   ALA   1           H3       ALA   1  29.830 -15.063  -2.009
  362    HA   ALA   1           HA       ALA   1  31.940 -14.633  -1.157
  363   1HB   ALA   1          1HB       ALA   1  33.473 -15.115  -2.803
  364   2HB   ALA   1          2HB       ALA   1  33.540 -13.352  -2.773
  365   3HB   ALA   1          3HB       ALA   1  32.614 -14.179  -4.027
  366    H    LEU   2           H        LEU   2  31.512 -12.287  -3.779
  367    HA   LEU   2           HA       LEU   2  31.549 -10.041  -2.133
  368   1HB   LEU   2          1HB       LEU   2  30.373 -10.465  -4.875
  369   2HB   LEU   2          2HB       LEU   2  30.430  -8.894  -4.098
  370    HG   LEU   2           HG       LEU   2  32.286  -8.922  -5.531
  371   1HD1  LEU   2          1HD1      LEU   2  32.766  -8.186  -3.203
  372   2HD1  LEU   2          2HD1      LEU   2  33.402  -9.799  -2.875
  373   3HD1  LEU   2          3HD1      LEU   2  34.180  -8.770  -4.079
  374   1HD2  LEU   2          1HD2      LEU   2  32.116 -11.504  -5.730
  375   2HD2  LEU   2          2HD2      LEU   2  33.674 -10.716  -5.979
  376   3HD2  LEU   2          3HD2      LEU   2  33.321 -11.507  -4.443
  377    H    LYS   3           H        LYS   3  29.615  -8.411  -2.173
  378    HA   LYS   3           HA       LYS   3  27.448  -9.730  -0.770
  379   1HB   LYS   3          1HB       LYS   3  28.278  -6.869  -1.149
  380   2HB   LYS   3          2HB       LYS   3  26.686  -7.260  -0.514
  381   1HG   LYS   3          1HG       LYS   3  27.588  -7.390   1.501
  382   2HG   LYS   3          2HG       LYS   3  28.485  -8.812   0.962
  383   1HD   LYS   3          1HD       LYS   3  30.236  -7.229   0.075
  384   2HD   LYS   3          2HD       LYS   3  29.379  -5.935   0.918
  385   1HE   LYS   3          1HE       LYS   3  31.299  -6.891   2.189
  386   2HE   LYS   3          2HE       LYS   3  29.756  -6.972   3.038
  387   1HZ   LYS   3          1HZ       LYS   3  30.778  -9.248   1.450
  388   2HZ   LYS   3          2HZ       LYS   3  31.211  -9.031   3.070
  389   3HZ   LYS   3          3HZ       LYS   3  29.588  -9.255   2.652
  390    H    LYS   4           H        LYS   4  27.099  -6.908  -2.863
  391    HA   LYS   4           HA       LYS   4  25.513  -6.387  -4.416
  392   1HB   LYS   4          1HB       LYS   4  25.731  -9.204  -5.428
  393   2HB   LYS   4          2HB       LYS   4  25.540  -7.714  -6.340
  394   1HG   LYS   4          1HG       LYS   4  28.028  -8.264  -4.766
  395   2HG   LYS   4          2HG       LYS   4  27.809  -8.892  -6.401
  396   1HD   LYS   4          1HD       LYS   4  27.090  -6.131  -6.366
  397   2HD   LYS   4          2HD       LYS   4  28.675  -6.317  -5.613
  398   1HE   LYS   4          1HE       LYS   4  27.820  -7.199  -8.362
  399   2HE   LYS   4          2HE       LYS   4  29.022  -5.979  -7.947
  400   1HZ   LYS   4          1HZ       LYS   4  29.730  -8.404  -6.723
  401   2HZ   LYS   4          2HZ       LYS   4  29.419  -8.708  -8.356
  402   3HZ   LYS   4          3HZ       LYS   4  30.566  -7.545  -7.917
  403    H    HIS   5           H        HIS   5  24.616  -7.673  -1.882
  404    HA   HIS   5           HA       HIS   5  22.118  -8.923  -2.791
  405   1HB   HIS   5          1HB       HIS   5  21.905  -9.480  -0.289
  406   2HB   HIS   5          2HB       HIS   5  23.131 -10.342  -1.212
  407    HD1  HIS   5           HD1      HIS   5  25.203 -10.570   0.096
  408    HD2  HIS   5           HD2      HIS   5  23.284  -6.971   0.887
  409    HE1  HIS   5           HE1      HIS   5  26.653  -9.390   1.778
  410    HE2  HIS   5           HE2      HIS   5  25.473  -7.213   2.242
  411    H    HIS   6           H        HIS   6  23.452  -6.200  -1.075
  412    HA   HIS   6           HA       HIS   6  20.968  -5.261  -0.016
  413   1HB   HIS   6          1HB       HIS   6  23.746  -4.186  -0.227
  414   2HB   HIS   6          2HB       HIS   6  22.435  -3.055   0.094
  415    HD1  HIS   6           HD1      HIS   6  21.484  -6.097   1.669
  416    HD2  HIS   6           HD2      HIS   6  24.146  -3.044   2.597
  417    HE1  HIS   6           HE1      HIS   6  21.900  -6.295   4.141
  418    HE2  HIS   6           HE2      HIS   6  23.514  -4.439   4.681
  419    H    GLU   7           H        GLU   7  22.860  -4.624  -2.920
  420    HA   GLU   7           HA       GLU   7  21.404  -2.401  -3.844
  421   1HB   GLU   7          1HB       GLU   7  23.545  -2.916  -4.815
  422   2HB   GLU   7          2HB       GLU   7  22.985  -4.501  -5.334
  423   1HG   GLU   7          1HG       GLU   7  21.453  -2.207  -6.357
  424   2HG   GLU   7          2HG       GLU   7  23.112  -2.348  -6.935
  425    H    ASN   8           H        ASN   8  20.849  -5.846  -4.068
  426    HA   ASN   8           HA       ASN   8  18.785  -5.713  -6.025
  427   1HB   ASN   8          1HB       ASN   8  19.612  -7.812  -4.024
  428   2HB   ASN   8          2HB       ASN   8  18.208  -8.028  -5.065
  429   2HD2  ASN   8          2HD2      ASN   8  19.786  -9.913  -5.520
  430   1HD2  ASN   8          1HD2      ASN   8  20.822  -9.684  -6.884
  431    H    GLU   9           H        GLU   9  18.688  -6.247  -2.499
  432    HA   GLU   9           HA       GLU   9  15.911  -6.072  -2.225
  433   1HB   GLU   9          1HB       GLU   9  18.183  -6.245  -0.498
  434   2HB   GLU   9          2HB       GLU   9  17.120  -4.982   0.106
  435   1HG   GLU   9          1HG       GLU   9  16.515  -7.019   1.165
  436   2HG   GLU   9          2HG       GLU   9  15.243  -6.610   0.017
  437    H    ILE  10           H        ILE  10  18.265  -3.651  -2.845
  438    HA   ILE  10           HA       ILE  10  16.854  -1.430  -1.775
  439    HB   ILE  10           HB       ILE  10  19.394  -1.878  -2.863
  440   1HG1  ILE  10          1HG1      ILE  10  19.008   0.910  -2.394
  441   2HG1  ILE  10          2HG1      ILE  10  18.052  -0.003  -1.230
  442   1HG2  ILE  10          1HG2      ILE  10  18.626  -1.296  -5.103
  443   2HG2  ILE  10          2HG2      ILE  10  18.032   0.252  -4.502
  444   3HG2  ILE  10          3HG2      ILE  10  19.761  -0.099  -4.480
  445   1HD1  ILE  10          1HD1      ILE  10  20.667  -1.153  -1.497
  446   2HD1  ILE  10          2HD1      ILE  10  20.776   0.567  -1.117
  447   3HD1  ILE  10          3HD1      ILE  10  19.860  -0.512  -0.066
  448    H    SER  11           H        SER  11  17.250  -2.670  -5.091
  449    HA   SER  11           HA       SER  11  15.509  -0.806  -6.296
  450   1HB   SER  11          1HB       SER  11  15.746  -2.064  -8.264
  451   2HB   SER  11          2HB       SER  11  17.251  -2.372  -7.396
  452    HG   SER  11           HG       SER  11  15.364  -4.116  -8.176
  453    H    HIS  12           H        HIS  12  14.939  -3.722  -4.523
  454    HA   HIS  12           HA       HIS  12  12.296  -4.141  -5.548
  455   1HB   HIS  12          1HB       HIS  12  12.765  -6.173  -4.731
  456   2HB   HIS  12          2HB       HIS  12  14.160  -5.553  -3.867
  457    HD1  HIS  12           HD1      HIS  12  10.401  -5.858  -3.339
  458    HD2  HIS  12           HD2      HIS  12  13.953  -5.779  -1.188
  459    HE1  HIS  12           HE1      HIS  12   9.751  -6.323  -0.954
  460    HE2  HIS  12           HE2      HIS  12  11.918  -6.275   0.332
  461    H    HIS  13           H        HIS  13  13.666  -2.662  -2.616
  462    HA   HIS  13           HA       HIS  13  11.153  -2.125  -1.407
  463   1HB   HIS  13          1HB       HIS  13  13.671  -0.514  -1.012
  464   2HB   HIS  13          2HB       HIS  13  12.324  -0.684   0.102
  465    HD1  HIS  13           HD1      HIS  13  12.247  -3.891  -0.215
  466    HD2  HIS  13           HD2      HIS  13  15.501  -1.510   0.768
  467    HE1  HIS  13           HE1      HIS  13  13.828  -5.403   1.030
  468    HE2  HIS  13           HE2      HIS  13  15.797  -3.941   1.616
  469    H    ALA  14           H        ALA  14  12.997  -0.593  -3.906
  470    HA   ALA  14           HA       ALA  14  11.784   1.975  -3.753
  471   1HB   ALA  14          1HB       ALA  14  13.190   0.592  -6.038
  472   2HB   ALA  14          2HB       ALA  14  13.906   1.709  -4.877
  473   3HB   ALA  14          3HB       ALA  14  12.706   2.288  -6.033
  474    H    LYS  15           H        LYS  15  11.305  -0.770  -5.976
  475    HA   LYS  15           HA       LYS  15   8.978   0.349  -7.171
  476   1HB   LYS  15          1HB       LYS  15  10.364  -2.286  -7.235
  477   2HB   LYS  15          2HB       LYS  15   8.683  -2.241  -7.748
  478   1HG   LYS  15          1HG       LYS  15  10.780  -0.410  -8.878
  479   2HG   LYS  15          2HG       LYS  15  10.414  -1.996  -9.562
  480   1HD   LYS  15          1HD       LYS  15   8.768  -1.057 -10.726
  481   2HD   LYS  15          2HD       LYS  15   7.942  -0.712  -9.205
  482   1HE   LYS  15          1HE       LYS  15   8.106   1.432  -9.833
  483   2HE   LYS  15          2HE       LYS  15   9.782   1.295  -9.303
  484   1HZ   LYS  15          1HZ       LYS  15   9.390   0.377 -11.988
  485   2HZ   LYS  15          2HZ       LYS  15   8.953   1.999 -11.794
  486   3HZ   LYS  15          3HZ       LYS  15  10.511   1.489 -11.381
  487    H    GLU  16           H        GLU  16   9.537  -1.081  -4.151
  488    HA   GLU  16           HA       GLU  16   6.912  -2.223  -3.841
  489   1HB   GLU  16          1HB       GLU  16   9.423  -2.238  -2.372
  490   2HB   GLU  16          2HB       GLU  16   8.043  -1.995  -1.310
  491   1HG   GLU  16          1HG       GLU  16   8.778  -4.378  -1.675
  492   2HG   GLU  16          2HG       GLU  16   7.068  -4.038  -1.930
  493    H    ILE  17           H        ILE  17   8.616   0.721  -2.823
  494    HA   ILE  17           HA       ILE  17   6.435   1.629  -1.185
  495    HB   ILE  17           HB       ILE  17   8.617   2.441  -0.638
  496   1HG1  ILE  17          1HG1      ILE  17   6.879   4.604  -1.840
  497   2HG1  ILE  17          2HG1      ILE  17   6.892   4.046  -0.171
  498   1HG2  ILE  17          1HG2      ILE  17   8.727   3.387  -3.489
  499   2HG2  ILE  17          2HG2      ILE  17   9.833   3.968  -2.243
  500   3HG2  ILE  17          3HG2      ILE  17   9.803   2.256  -2.667
  501   1HD1  ILE  17          1HD1      ILE  17   9.341   4.855  -0.170
  502   2HD1  ILE  17          2HD1      ILE  17   8.865   5.764  -1.603
  503   3HD1  ILE  17          3HD1      ILE  17   8.041   6.042  -0.069
  504    H    GLU  18           H        GLU  18   7.438   2.053  -4.520
  505    HA   GLU  18           HA       GLU  18   5.530   4.122  -5.082
  506   1HB   GLU  18          1HB       GLU  18   7.698   2.824  -6.457
  507   2HB   GLU  18          2HB       GLU  18   6.273   2.843  -7.487
  508   1HG   GLU  18          1HG       GLU  18   6.124   5.211  -7.376
  509   2HG   GLU  18          2HG       GLU  18   7.349   5.288  -6.111
  510    H    ARG  19           H        ARG  19   5.704   0.620  -5.576
  511    HA   ARG  19           HA       ARG  19   3.206   0.472  -6.959
  512   1HB   ARG  19          1HB       ARG  19   4.961  -1.607  -5.654
  513   2HB   ARG  19          2HB       ARG  19   3.439  -2.011  -6.435
  514   1HG   ARG  19          1HG       ARG  19   5.783  -0.678  -7.775
  515   2HG   ARG  19          2HG       ARG  19   5.363  -2.387  -7.899
  516   1HD   ARG  19          1HD       ARG  19   4.352  -1.613  -9.791
  517   2HD   ARG  19          2HD       ARG  19   3.031  -1.393  -8.643
  518    HE   ARG  19           HE       ARG  19   4.735   0.906  -8.886
  519   1HH1  ARG  19          1HH1      ARG  19   1.985  -0.767 -10.213
  520   2HH1  ARG  19          2HH1      ARG  19   1.296   0.657 -10.920
  521   1HH2  ARG  19          1HH2      ARG  19   3.838   2.788  -9.811
  522   2HH2  ARG  19          2HH2      ARG  19   2.349   2.678 -10.691
  523    H    LEU  20           H        LEU  20   4.177   0.528  -3.642
  524    HA   LEU  20           HA       LEU  20   1.791  -0.641  -2.583
  525   1HB   LEU  20          1HB       LEU  20   4.195   0.694  -1.497
  526   2HB   LEU  20          2HB       LEU  20   2.750   0.827  -0.524
  527    HG   LEU  20           HG       LEU  20   4.360  -1.103  -0.024
  528   1HD1  LEU  20          1HD1      LEU  20   2.018  -0.834   0.817
  529   2HD1  LEU  20          2HD1      LEU  20   1.490  -1.848  -0.525
  530   3HD1  LEU  20          3HD1      LEU  20   2.580  -2.501   0.697
  531   1HD2  LEU  20          1HD2      LEU  20   3.927  -1.646  -2.724
  532   2HD2  LEU  20          2HD2      LEU  20   4.742  -2.675  -1.547
  533   3HD2  LEU  20          3HD2      LEU  20   3.018  -2.880  -1.853
  534    H    GLN  21           H        GLN  21   2.941   2.634  -3.223
  535    HA   GLN  21           HA       GLN  21   0.813   4.018  -2.003
  536   1HB   GLN  21          1HB       GLN  21   2.782   4.706  -4.163
  537   2HB   GLN  21          2HB       GLN  21   1.478   5.817  -3.766
  538   1HG   GLN  21          1HG       GLN  21   2.501   5.237  -1.303
  539   2HG   GLN  21          2HG       GLN  21   3.940   5.208  -2.321
  540   2HE2  GLN  21          2HE2      GLN  21   1.276   7.152  -1.175
  541   1HE2  GLN  21          1HE2      GLN  21   1.969   8.684  -1.567
  542    H    LYS  22           H        LYS  22   1.318   3.016  -5.385
  543    HA   LYS  22           HA       LYS  22  -1.147   3.990  -6.350
  544   1HB   LYS  22          1HB       LYS  22   1.035   2.325  -7.341
  545   2HB   LYS  22          2HB       LYS  22  -0.530   1.816  -7.957
  546   1HG   LYS  22          1HG       LYS  22   0.541   4.624  -8.125
  547   2HG   LYS  22          2HG       LYS  22   0.635   3.429  -9.420
  548   1HD   LYS  22          1HD       LYS  22  -1.308   4.361 -10.082
  549   2HD   LYS  22          2HD       LYS  22  -2.004   3.326  -8.833
  550   1HE   LYS  22          1HE       LYS  22  -2.554   5.069  -7.541
  551   2HE   LYS  22          2HE       LYS  22  -1.002   5.862  -7.802
  552   1HZ   LYS  22          1HZ       LYS  22  -2.402   6.023 -10.192
  553   2HZ   LYS  22          2HZ       LYS  22  -3.498   6.444  -8.973
  554   3HZ   LYS  22          3HZ       LYS  22  -2.037   7.283  -9.124
  555    H    GLU  23           H        GLU  23  -0.235   1.070  -4.700
  556    HA   GLU  23           HA       GLU  23  -2.547  -0.455  -5.326
  557   1HB   GLU  23          1HB       GLU  23  -0.162  -0.780  -3.768
  558   2HB   GLU  23          2HB       GLU  23  -1.550  -1.258  -2.800
  559   1HG   GLU  23          1HG       GLU  23  -1.295  -3.237  -3.793
  560   2HG   GLU  23          2HG       GLU  23  -2.108  -2.474  -5.159
  561    H    ILE  24           H        ILE  24  -1.747   1.833  -2.773
  562    HA   ILE  24           HA       ILE  24  -4.010   1.284  -1.161
  563    HB   ILE  24           HB       ILE  24  -3.343   2.971   0.229
  564   1HG1  ILE  24          1HG1      ILE  24  -2.016   5.024  -0.683
  565   2HG1  ILE  24          2HG1      ILE  24  -2.671   4.541  -2.245
  566   1HG2  ILE  24          1HG2      ILE  24  -1.343   1.494  -0.651
  567   2HG2  ILE  24          2HG2      ILE  24  -0.739   3.062  -1.184
  568   3HG2  ILE  24          3HG2      ILE  24  -1.100   2.789   0.521
  569   1HD1  ILE  24          1HD1      ILE  24  -4.796   4.546  -0.370
  570   2HD1  ILE  24          2HD1      ILE  24  -3.904   6.061  -0.204
  571   3HD1  ILE  24          3HD1      ILE  24  -4.556   5.589  -1.774
  572    H    GLU  25           H        GLU  25  -3.389   3.576  -3.769
  573    HA   GLU  25           HA       GLU  25  -5.775   5.030  -3.631
  574   1HB   GLU  25          1HB       GLU  25  -3.622   5.342  -5.105
  575   2HB   GLU  25          2HB       GLU  25  -4.523   4.387  -6.274
  576   1HG   GLU  25          1HG       GLU  25  -6.154   6.012  -6.538
  577   2HG   GLU  25          2HG       GLU  25  -5.757   6.798  -5.011
  578    H    ARG  26           H        ARG  26  -4.978   2.041  -5.359
  579    HA   ARG  26           HA       ARG  26  -7.362   1.704  -6.758
  580   1HB   ARG  26          1HB       ARG  26  -5.096   0.305  -6.661
  581   2HB   ARG  26          2HB       ARG  26  -6.051  -0.700  -5.580
  582   1HG   ARG  26          1HG       ARG  26  -6.120  -1.506  -7.885
  583   2HG   ARG  26          2HG       ARG  26  -7.717  -1.027  -7.309
  584   1HD   ARG  26          1HD       ARG  26  -7.138  -0.288  -9.645
  585   2HD   ARG  26          2HD       ARG  26  -7.660   0.990  -8.549
  586    HE   ARG  26           HE       ARG  26  -5.595   1.949  -8.750
  587   1HH1  ARG  26          1HH1      ARG  26  -5.423  -1.350  -9.852
  588   2HH1  ARG  26          2HH1      ARG  26  -3.804  -1.203 -10.449
  589   1HH2  ARG  26          1HH2      ARG  26  -3.462   2.154  -9.532
  590   2HH2  ARG  26          2HH2      ARG  26  -2.689   0.789 -10.267
  591    H    HIS  27           H        HIS  27  -6.477   0.568  -3.507
  592    HA   HIS  27           HA       HIS  27  -8.935  -0.682  -2.935
  593   1HB   HIS  27          1HB       HIS  27  -6.507   0.023  -1.486
  594   2HB   HIS  27          2HB       HIS  27  -7.946   0.181  -0.486
  595    HD1  HIS  27           HD1      HIS  27  -9.606  -2.139  -0.958
  596    HD2  HIS  27           HD2      HIS  27  -5.467  -2.438  -1.176
  597    HE1  HIS  27           HE1      HIS  27  -9.090  -4.578  -0.627
  598    HE2  HIS  27           HE2      HIS  27  -6.578  -4.737  -0.762
  599    H    LYS  28           H        LYS  28  -7.928   2.627  -2.908
  600    HA   LYS  28           HA       LYS  28  -9.973   3.620  -1.190
  601   1HB   LYS  28          1HB       LYS  28  -7.876   4.846  -1.610
  602   2HB   LYS  28          2HB       LYS  28  -8.348   5.065  -3.289
  603   1HG   LYS  28          1HG       LYS  28 -10.189   6.023  -1.160
  604   2HG   LYS  28          2HG       LYS  28  -8.730   6.951  -1.509
  605   1HD   LYS  28          1HD       LYS  28 -10.206   6.124  -3.895
  606   2HD   LYS  28          2HD       LYS  28 -11.116   7.195  -2.828
  607   1HE   LYS  28          1HE       LYS  28  -8.461   8.190  -3.044
  608   2HE   LYS  28          2HE       LYS  28  -9.062   7.858  -4.669
  609   1HZ   LYS  28          1HZ       LYS  28 -10.695   9.358  -2.720
  610   2HZ   LYS  28          2HZ       LYS  28  -9.524  10.140  -3.659
  611   3HZ   LYS  28          3HZ       LYS  28 -10.812   9.339  -4.408
  612    H    GLN  29           H        GLN  29  -9.670   3.106  -4.651
  613    HA   GLN  29           HA       GLN  29 -12.065   4.494  -5.348
  614   1HB   GLN  29          1HB       GLN  29  -9.929   3.596  -6.763
  615   2HB   GLN  29          2HB       GLN  29 -11.117   2.359  -7.150
  616   1HG   GLN  29          1HG       GLN  29 -11.759   3.743  -8.769
  617   2HG   GLN  29          2HG       GLN  29 -12.562   4.644  -7.483
  618   2HE2  GLN  29          2HE2      GLN  29 -12.342   6.547  -8.713
  619   1HE2  GLN  29          1HE2      GLN  29 -10.832   7.381  -8.812
  620    H    SER  30           H        SER  30 -11.279   1.215  -4.428
  621    HA   SER  30           HA       SER  30 -13.761   0.073  -5.269
  622   1HB   SER  30          1HB       SER  30 -11.440  -1.063  -4.713
  623   2HB   SER  30          2HB       SER  30 -12.121  -1.156  -3.088
  624    HG   SER  30           HG       SER  30 -14.014  -2.122  -4.223
  625    H    ILE  31           H        ILE  31 -12.527   1.450  -2.283
  626    HA   ILE  31           HA       ILE  31 -14.725   0.672  -0.647
  627    HB   ILE  31           HB       ILE  31 -12.619   1.188   0.376
  628   1HG1  ILE  31          1HG1      ILE  31 -13.301   2.918   2.052
  629   2HG1  ILE  31          2HG1      ILE  31 -14.723   3.247   1.063
  630   1HG2  ILE  31          1HG2      ILE  31 -12.957   3.915  -0.848
  631   2HG2  ILE  31          2HG2      ILE  31 -11.777   3.550   0.410
  632   3HG2  ILE  31          3HG2      ILE  31 -11.677   2.743  -1.152
  633   1HD1  ILE  31          1HD1      ILE  31 -15.418   0.897   1.372
  634   2HD1  ILE  31          2HD1      ILE  31 -14.042   0.672   2.450
  635   3HD1  ILE  31          3HD1      ILE  31 -15.318   1.805   2.880
  636    H    LYS  32           H        LYS  32 -14.008   3.488  -2.629
  637    HA   LYS  32           HA       LYS  32 -16.228   5.025  -1.653
  638   1HB   LYS  32          1HB       LYS  32 -14.231   5.337  -3.862
  639   2HB   LYS  32          2HB       LYS  32 -15.675   6.340  -3.860
  640   1HG   LYS  32          1HG       LYS  32 -13.974   6.165  -1.412
  641   2HG   LYS  32          2HG       LYS  32 -13.505   7.212  -2.753
  642   1HD   LYS  32          1HD       LYS  32 -15.536   8.458  -2.587
  643   2HD   LYS  32          2HD       LYS  32 -16.213   7.305  -1.434
  644   1HE   LYS  32          1HE       LYS  32 -15.416   8.577   0.203
  645   2HE   LYS  32          2HE       LYS  32 -13.790   8.139  -0.319
  646   1HZ   LYS  32          1HZ       LYS  32 -14.279  10.071  -2.032
  647   2HZ   LYS  32          2HZ       LYS  32 -15.293  10.597  -0.783
  648   3HZ   LYS  32          3HZ       LYS  32 -13.640  10.377  -0.496
  649    H    LYS  33           H        LYS  33 -15.636   2.840  -4.327
  650    HA   LYS  33           HA       LYS  33 -18.079   3.431  -5.698
  651   1HB   LYS  33          1HB       LYS  33 -15.802   1.613  -6.045
  652   2HB   LYS  33          2HB       LYS  33 -17.336   0.930  -6.564
  653   1HG   LYS  33          1HG       LYS  33 -17.680   2.663  -8.138
  654   2HG   LYS  33          2HG       LYS  33 -16.361   3.624  -7.469
  655   1HD   LYS  33          1HD       LYS  33 -14.765   1.890  -8.175
  656   2HD   LYS  33          2HD       LYS  33 -16.095   0.972  -8.883
  657   1HE   LYS  33          1HE       LYS  33 -16.488   3.359 -10.065
  658   2HE   LYS  33          2HE       LYS  33 -14.739   3.408  -9.850
  659   1HZ   LYS  33          1HZ       LYS  33 -15.732   0.909 -10.891
  660   2HZ   LYS  33          2HZ       LYS  33 -16.000   2.231 -11.913
  661   3HZ   LYS  33          3HZ       LYS  33 -14.429   1.856 -11.407
  662    H    LEU  34           H        LEU  34 -17.087   1.270  -3.167
  663    HA   LEU  34           HA       LEU  34 -19.335  -0.483  -3.323
  664   1HB   LEU  34          1HB       LEU  34 -16.923  -0.473  -1.972
  665   2HB   LEU  34          2HB       LEU  34 -18.096  -0.232  -0.693
  666    HG   LEU  34           HG       LEU  34 -17.812  -2.545  -0.761
  667   1HD1  LEU  34          1HD1      LEU  34 -20.268  -1.462  -1.587
  668   2HD1  LEU  34          2HD1      LEU  34 -20.013  -2.915  -2.553
  669   3HD1  LEU  34          3HD1      LEU  34 -19.978  -3.009  -0.792
  670   1HD2  LEU  34          1HD2      LEU  34 -16.612  -2.367  -3.034
  671   2HD2  LEU  34          2HD2      LEU  34 -17.460  -3.862  -2.639
  672   3HD2  LEU  34          3HD2      LEU  34 -18.201  -2.687  -3.726
  673    H    LYS  35           H        LYS  35 -18.518   2.362  -1.375
  674    HA   LYS  35           HA       LYS  35 -20.841   2.302   0.238
  675   1HB   LYS  35          1HB       LYS  35 -18.522   3.827   0.125
  676   2HB   LYS  35          2HB       LYS  35 -19.798   4.978  -0.248
  677   1HG   LYS  35          1HG       LYS  35 -19.707   3.198   2.178
  678   2HG   LYS  35          2HG       LYS  35 -19.286   4.910   2.140
  679   1HD   LYS  35          1HD       LYS  35 -21.424   5.317   2.631
  680   2HD   LYS  35          2HD       LYS  35 -21.796   4.821   0.979
  681   1HE   LYS  35          1HE       LYS  35 -21.843   2.432   1.939
  682   2HE   LYS  35          2HE       LYS  35 -21.960   3.222   3.510
  683   1HZ   LYS  35          1HZ       LYS  35 -23.944   4.385   2.708
  684   2HZ   LYS  35          2HZ       LYS  35 -23.845   3.553   1.240
  685   3HZ   LYS  35          3HZ       LYS  35 -24.144   2.706   2.673
  686    H    GLN  36           H        GLN  36 -20.099   3.806  -2.859
  687    HA   GLN  36           HA       GLN  36 -22.553   5.268  -3.016
  688   1HB   GLN  36          1HB       GLN  36 -20.392   5.811  -4.237
  689   2HB   GLN  36          2HB       GLN  36 -20.777   4.486  -5.326
  690   1HG   GLN  36          1HG       GLN  36 -21.445   6.603  -6.283
  691   2HG   GLN  36          2HG       GLN  36 -22.857   5.601  -5.951
  692   2HE2  GLN  36          2HE2      GLN  36 -24.119   7.516  -6.015
  693   1HE2  GLN  36          1HE2      GLN  36 -24.173   8.584  -4.658
  694    H    SER  37           H        SER  37 -21.555   2.046  -3.781
  695    HA   SER  37           HA       SER  37 -23.704   1.474  -5.590
  696   1HB   SER  37          1HB       SER  37 -21.918   0.050  -5.964
  697   2HB   SER  37          2HB       SER  37 -21.563  -0.126  -4.245
  698    HG   SER  37           HG       SER  37 -22.490  -2.021  -4.938
  699    H    GLU  38           H        GLU  38 -23.131   1.097  -2.141
  700    HA   GLU  38           HA       GLU  38 -25.404  -0.523  -1.619
  701   1HB   GLU  38          1HB       GLU  38 -23.226   0.360  -0.159
  702   2HB   GLU  38          2HB       GLU  38 -24.577   1.198   0.591
  703   1HG   GLU  38          1HG       GLU  38 -25.627  -1.250   0.461
  704   2HG   GLU  38          2HG       GLU  38 -23.920  -1.681   0.535
  705    H    ASP  39           H        ASP  39 -24.932   2.876  -2.066
  706    HA   ASP  39           HA       ASP  39 -27.334   3.726  -0.772
  707   1HB   ASP  39          1HB       ASP  39 -25.353   5.201  -1.170
  708   2HB   ASP  39          2HB       ASP  39 -25.737   5.182  -2.889
  709    H    ASP  40           H        ASP  40 -26.533   2.490  -3.904
  710    HA   ASP  40           HA       ASP  40 -27.845   1.850  -5.655
  711   1HB   ASP  40          1HB       ASP  40 -30.226   2.737  -4.021
  712   2HB   ASP  40          2HB       ASP  40 -30.214   1.600  -5.367
  713    H    ASP  41           H        ASP  41 -29.514   2.781  -7.244
  714    HA   ASP  41           HA       ASP  41 -28.989   5.662  -7.480
  715   1HB   ASP  41          1HB       ASP  41 -29.963   3.889  -9.709
  716   2HB   ASP  41          2HB       ASP  41 -29.127   5.435  -9.823

  No H/Q in entry =         716
  Start of MODEL   12
    1    H1   ALA   1           H1       ALA   1 -33.869  -1.602  -0.339
    2    H2   ALA   1           H2       ALA   1 -34.826  -1.769   1.074
    3    H3   ALA   1           H3       ALA   1 -35.556  -1.293  -0.404
    4    HA   ALA   1           HA       ALA   1 -34.378   0.735  -0.404
    5   1HB   ALA   1          1HB       ALA   1 -36.231  -0.075   1.677
    6   2HB   ALA   1          2HB       ALA   1 -35.235   1.298   2.163
    7   3HB   ALA   1          3HB       ALA   1 -36.204   1.388   0.693
    8    H    LEU   2           H        LEU   2 -34.020  -0.341   2.960
    9    HA   LEU   2           HA       LEU   2 -31.358   0.857   3.009
   10   1HB   LEU   2          1HB       LEU   2 -33.466   0.340   4.961
   11   2HB   LEU   2          2HB       LEU   2 -31.874  -0.104   5.547
   12    HG   LEU   2           HG       LEU   2 -31.193   2.279   4.732
   13   1HD1  LEU   2          1HD1      LEU   2 -33.740   2.375   3.847
   14   2HD1  LEU   2          2HD1      LEU   2 -33.924   3.109   5.439
   15   3HD1  LEU   2          3HD1      LEU   2 -32.789   3.797   4.278
   16   1HD2  LEU   2          1HD2      LEU   2 -32.688   1.504   7.199
   17   2HD2  LEU   2          2HD2      LEU   2 -30.980   1.896   6.997
   18   3HD2  LEU   2          3HD2      LEU   2 -32.190   3.179   6.963
   19    H    LYS   3           H        LYS   3 -30.370  -0.817   1.723
   20    HA   LYS   3           HA       LYS   3 -30.347  -3.526   2.254
   21   1HB   LYS   3          1HB       LYS   3 -29.049  -1.879   0.493
   22   2HB   LYS   3          2HB       LYS   3 -27.722  -2.437   1.502
   23   1HG   LYS   3          1HG       LYS   3 -28.074  -3.826  -0.501
   24   2HG   LYS   3          2HG       LYS   3 -28.238  -4.731   1.005
   25   1HD   LYS   3          1HD       LYS   3 -30.345  -5.285   0.531
   26   2HD   LYS   3          2HD       LYS   3 -30.769  -3.611   0.163
   27   1HE   LYS   3          1HE       LYS   3 -29.423  -4.116  -2.046
   28   2HE   LYS   3          2HE       LYS   3 -29.838  -5.784  -1.649
   29   1HZ   LYS   3          1HZ       LYS   3 -32.172  -4.401  -1.324
   30   2HZ   LYS   3          2HZ       LYS   3 -31.488  -3.710  -2.709
   31   3HZ   LYS   3          3HZ       LYS   3 -31.767  -5.378  -2.644
   32    H    LYS   4           H        LYS   4 -27.757  -1.287   3.247
   33    HA   LYS   4           HA       LYS   4 -26.653  -1.081   5.251
   34   1HB   LYS   4          1HB       LYS   4 -28.861  -2.501   6.091
   35   2HB   LYS   4          2HB       LYS   4 -27.528  -3.558   6.535
   36   1HG   LYS   4          1HG       LYS   4 -26.548  -1.897   7.906
   37   2HG   LYS   4          2HG       LYS   4 -27.620  -0.647   7.273
   38   1HD   LYS   4          1HD       LYS   4 -29.384  -1.319   8.552
   39   2HD   LYS   4          2HD       LYS   4 -28.881  -3.011   8.546
   40   1HE   LYS   4          1HE       LYS   4 -27.794  -2.781  10.477
   41   2HE   LYS   4          2HE       LYS   4 -26.960  -1.335   9.911
   42   1HZ   LYS   4          1HZ       LYS   4 -29.758  -1.318  10.895
   43   2HZ   LYS   4          2HZ       LYS   4 -28.424  -1.012  11.889
   44   3HZ   LYS   4          3HZ       LYS   4 -28.762   0.018  10.591
   45    H    HIS   5           H        HIS   5 -27.018  -4.437   4.112
   46    HA   HIS   5           HA       HIS   5 -24.659  -5.520   4.998
   47   1HB   HIS   5          1HB       HIS   5 -25.738  -6.047   2.231
   48   2HB   HIS   5          2HB       HIS   5 -24.865  -7.156   3.282
   49    HD1  HIS   5           HD1      HIS   5 -26.977  -5.896   5.650
   50    HD2  HIS   5           HD2      HIS   5 -27.702  -8.213   2.277
   51    HE1  HIS   5           HE1      HIS   5 -29.178  -7.034   6.077
   52    HE2  HIS   5           HE2      HIS   5 -29.599  -8.431   4.022
   53    H    HIS   6           H        HIS   6 -25.165  -3.290   2.350
   54    HA   HIS   6           HA       HIS   6 -22.685  -3.568   1.069
   55   1HB   HIS   6          1HB       HIS   6 -24.567  -1.214   1.284
   56   2HB   HIS   6          2HB       HIS   6 -23.123  -1.198   0.279
   57    HD1  HIS   6           HD1      HIS   6 -25.139  -4.326   0.464
   58    HD2  HIS   6           HD2      HIS   6 -24.710  -1.040  -2.043
   59    HE1  HIS   6           HE1      HIS   6 -26.335  -4.941  -1.660
   60    HE2  HIS   6           HE2      HIS   6 -26.063  -2.938  -3.164
   61    H    GLU   7           H        GLU   7 -23.714  -1.171   3.502
   62    HA   GLU   7           HA       GLU   7 -21.300   0.124   3.846
   63   1HB   GLU   7          1HB       GLU   7 -23.434   0.852   4.855
   64   2HB   GLU   7          2HB       GLU   7 -23.350  -0.496   5.981
   65   1HG   GLU   7          1HG       GLU   7 -22.554   1.242   7.252
   66   2HG   GLU   7          2HG       GLU   7 -21.064   0.523   6.643
   67    H    ASN   8           H        ASN   8 -22.226  -3.062   4.813
   68    HA   ASN   8           HA       ASN   8 -20.312  -3.426   6.883
   69   1HB   ASN   8          1HB       ASN   8 -22.449  -4.862   6.026
   70   2HB   ASN   8          2HB       ASN   8 -21.136  -5.799   5.322
   71   2HD2  ASN   8          2HD2      ASN   8 -22.636  -7.030   7.127
   72   1HD2  ASN   8          1HD2      ASN   8 -21.800  -7.208   8.628
   73    H    GLU   9           H        GLU   9 -20.388  -4.722   3.549
   74    HA   GLU   9           HA       GLU   9 -17.652  -5.512   3.606
   75   1HB   GLU   9          1HB       GLU   9 -19.180  -6.619   2.105
   76   2HB   GLU   9          2HB       GLU   9 -19.578  -5.100   1.316
   77   1HG   GLU   9          1HG       GLU   9 -17.842  -5.244  -0.060
   78   2HG   GLU   9          2HG       GLU   9 -16.735  -5.663   1.248
   79    H    ILE  10           H        ILE  10 -19.104  -2.495   3.337
   80    HA   ILE  10           HA       ILE  10 -17.095  -1.270   1.665
   81    HB   ILE  10           HB       ILE  10 -19.547  -0.263   3.102
   82   1HG1  ILE  10          1HG1      ILE  10 -18.826  -0.203   0.173
   83   2HG1  ILE  10          2HG1      ILE  10 -19.728  -1.512   0.930
   84   1HG2  ILE  10          1HG2      ILE  10 -17.722   1.461   3.203
   85   2HG2  ILE  10          2HG2      ILE  10 -17.760   1.492   1.440
   86   3HG2  ILE  10          3HG2      ILE  10 -19.191   1.953   2.363
   87   1HD1  ILE  10          1HD1      ILE  10 -20.745   1.241   1.308
   88   2HD1  ILE  10          2HD1      ILE  10 -20.911   0.515  -0.290
   89   3HD1  ILE  10          3HD1      ILE  10 -21.619  -0.277   1.116
   90    H    SER  11           H        SER  11 -17.909  -1.637   5.041
   91    HA   SER  11           HA       SER  11 -16.019   0.314   5.978
   92   1HB   SER  11          1HB       SER  11 -18.168  -0.608   7.167
   93   2HB   SER  11          2HB       SER  11 -17.093  -1.901   7.698
   94    HG   SER  11           HG       SER  11 -16.422   0.821   8.032
   95    H    HIS  12           H        HIS  12 -16.057  -3.083   5.251
   96    HA   HIS  12           HA       HIS  12 -13.613  -3.709   6.587
   97   1HB   HIS  12          1HB       HIS  12 -14.606  -5.714   6.300
   98   2HB   HIS  12          2HB       HIS  12 -15.634  -5.109   5.013
   99    HD1  HIS  12           HD1      HIS  12 -12.395  -6.890   5.616
  100    HD2  HIS  12           HD2      HIS  12 -14.757  -5.663   2.428
  101    HE1  HIS  12           HE1      HIS  12 -11.451  -8.055   3.596
  102    HE2  HIS  12           HE2      HIS  12 -12.897  -7.300   1.675
  103    H    HIS  13           H        HIS  13 -14.495  -3.120   3.168
  104    HA   HIS  13           HA       HIS  13 -11.908  -3.361   2.122
  105   1HB   HIS  13          1HB       HIS  13 -14.154  -1.573   1.166
  106   2HB   HIS  13          2HB       HIS  13 -12.715  -1.986   0.242
  107    HD1  HIS  13           HD1      HIS  13 -12.826  -5.081   1.109
  108    HD2  HIS  13           HD2      HIS  13 -15.859  -2.824  -0.607
  109    HE1  HIS  13           HE1      HIS  13 -14.337  -6.743  -0.027
  110    HE2  HIS  13           HE2      HIS  13 -16.171  -5.356  -1.056
  111    H    ALA  14           H        ALA  14 -13.559  -0.671   3.671
  112    HA   ALA  14           HA       ALA  14 -11.763   1.380   3.047
  113   1HB   ALA  14          1HB       ALA  14 -12.902   1.487   5.753
  114   2HB   ALA  14          2HB       ALA  14 -14.079   1.228   4.465
  115   3HB   ALA  14          3HB       ALA  14 -13.023   2.639   4.422
  116    H    LYS  15           H        LYS  15 -11.875  -0.733   5.912
  117    HA   LYS  15           HA       LYS  15  -9.523   0.223   7.104
  118   1HB   LYS  15          1HB       LYS  15 -11.312  -1.277   8.132
  119   2HB   LYS  15          2HB       LYS  15 -10.521  -2.615   7.312
  120   1HG   LYS  15          1HG       LYS  15  -8.423  -2.025   8.513
  121   2HG   LYS  15          2HG       LYS  15  -9.342  -0.826   9.424
  122   1HD   LYS  15          1HD       LYS  15 -10.246  -2.381  10.759
  123   2HD   LYS  15          2HD       LYS  15 -10.593  -3.460   9.406
  124   1HE   LYS  15          1HE       LYS  15  -8.583  -4.545   9.577
  125   2HE   LYS  15          2HE       LYS  15  -7.765  -3.147  10.276
  126   1HZ   LYS  15          1HZ       LYS  15  -9.873  -4.452  11.840
  127   2HZ   LYS  15          2HZ       LYS  15  -8.372  -5.222  11.726
  128   3HZ   LYS  15          3HZ       LYS  15  -8.474  -3.659  12.366
  129    H    GLU  16           H        GLU  16 -10.044  -1.821   4.382
  130    HA   GLU  16           HA       GLU  16  -7.500  -3.127   4.434
  131   1HB   GLU  16          1HB       GLU  16  -9.871  -3.106   2.724
  132   2HB   GLU  16          2HB       GLU  16  -8.371  -3.238   1.815
  133   1HG   GLU  16          1HG       GLU  16  -9.357  -5.067   3.988
  134   2HG   GLU  16          2HG       GLU  16  -9.170  -5.433   2.274
  135    H    ILE  17           H        ILE  17  -8.818  -0.256   2.818
  136    HA   ILE  17           HA       ILE  17  -6.510   0.199   1.214
  137    HB   ILE  17           HB       ILE  17  -7.512   2.173   0.496
  138   1HG1  ILE  17          1HG1      ILE  17  -9.623   2.951   2.038
  139   2HG1  ILE  17          2HG1      ILE  17  -8.517   2.362   3.272
  140   1HG2  ILE  17          1HG2      ILE  17  -9.073  -0.122   0.748
  141   2HG2  ILE  17          2HG2      ILE  17 -10.144   1.222   1.146
  142   3HG2  ILE  17          3HG2      ILE  17  -9.288   1.204  -0.394
  143   1HD1  ILE  17          1HD1      ILE  17  -7.584   4.279   1.180
  144   2HD1  ILE  17          2HD1      ILE  17  -8.440   4.840   2.616
  145   3HD1  ILE  17          3HD1      ILE  17  -6.919   3.964   2.782
  146    H    GLU  18           H        GLU  18  -7.478   1.193   4.434
  147    HA   GLU  18           HA       GLU  18  -5.393   3.118   4.770
  148   1HB   GLU  18          1HB       GLU  18  -7.679   2.699   6.085
  149   2HB   GLU  18          2HB       GLU  18  -6.609   1.780   7.134
  150   1HG   GLU  18          1HG       GLU  18  -5.152   3.950   7.041
  151   2HG   GLU  18          2HG       GLU  18  -6.678   4.705   6.585
  152    H    ARG  19           H        ARG  19  -5.818  -0.282   5.643
  153    HA   ARG  19           HA       ARG  19  -3.387  -0.507   7.095
  154   1HB   ARG  19          1HB       ARG  19  -5.424  -2.381   6.017
  155   2HB   ARG  19          2HB       ARG  19  -3.831  -3.046   6.349
  156   1HG   ARG  19          1HG       ARG  19  -4.082  -1.943   8.657
  157   2HG   ARG  19          2HG       ARG  19  -5.795  -1.833   8.251
  158   1HD   ARG  19          1HD       ARG  19  -6.122  -4.051   8.479
  159   2HD   ARG  19          2HD       ARG  19  -4.562  -4.456   7.763
  160    HE   ARG  19           HE       ARG  19  -3.899  -3.438  10.185
  161   1HH1  ARG  19          1HH1      ARG  19  -6.089  -5.937   9.142
  162   2HH1  ARG  19          2HH1      ARG  19  -5.919  -6.870  10.592
  163   1HH2  ARG  19          1HH2      ARG  19  -3.667  -4.659  12.097
  164   2HH2  ARG  19          2HH2      ARG  19  -4.542  -6.142  12.273
  165    H    LEU  20           H        LEU  20  -4.250  -0.769   3.728
  166    HA   LEU  20           HA       LEU  20  -1.874  -2.058   2.855
  167   1HB   LEU  20          1HB       LEU  20  -4.291  -1.282   1.709
  168   2HB   LEU  20          2HB       LEU  20  -3.091  -0.310   0.882
  169    HG   LEU  20           HG       LEU  20  -3.325  -2.222  -0.451
  170   1HD1  LEU  20          1HD1      LEU  20  -0.911  -1.727   0.866
  171   2HD1  LEU  20          2HD1      LEU  20  -1.093  -3.481   0.848
  172   3HD1  LEU  20          3HD1      LEU  20  -1.145  -2.573  -0.662
  173   1HD2  LEU  20          1HD2      LEU  20  -3.663  -3.591   2.143
  174   2HD2  LEU  20          2HD2      LEU  20  -4.489  -3.846   0.606
  175   3HD2  LEU  20          3HD2      LEU  20  -2.879  -4.516   0.862
  176    H    GLN  21           H        GLN  21  -2.876   1.309   3.192
  177    HA   GLN  21           HA       GLN  21  -0.657   2.501   1.945
  178   1HB   GLN  21          1HB       GLN  21  -2.637   3.798   2.419
  179   2HB   GLN  21          2HB       GLN  21  -2.466   3.512   4.145
  180   1HG   GLN  21          1HG       GLN  21  -1.700   5.685   3.839
  181   2HG   GLN  21          2HG       GLN  21  -0.229   4.718   3.949
  182   2HE2  GLN  21          2HE2      GLN  21  -2.421   6.324   1.723
  183   1HE2  GLN  21          1HE2      GLN  21  -1.269   6.547   0.455
  184    H    LYS  22           H        LYS  22  -1.260   1.668   5.344
  185    HA   LYS  22           HA       LYS  22   1.148   2.662   6.384
  186   1HB   LYS  22          1HB       LYS  22  -0.882   0.674   7.286
  187   2HB   LYS  22          2HB       LYS  22   0.664   0.710   8.121
  188   1HG   LYS  22          1HG       LYS  22   0.242   2.697   9.105
  189   2HG   LYS  22          2HG       LYS  22  -0.669   3.313   7.725
  190   1HD   LYS  22          1HD       LYS  22  -2.113   2.990   9.672
  191   2HD   LYS  22          2HD       LYS  22  -2.572   1.916   8.349
  192   1HE   LYS  22          1HE       LYS  22  -2.132   0.081   9.548
  193   2HE   LYS  22          2HE       LYS  22  -0.603   0.733  10.138
  194   1HZ   LYS  22          1HZ       LYS  22  -1.840   2.005  11.792
  195   2HZ   LYS  22          2HZ       LYS  22  -3.295   1.347  11.235
  196   3HZ   LYS  22          3HZ       LYS  22  -2.133   0.347  11.953
  197    H    GLU  23           H        GLU  23   0.344  -0.377   4.834
  198    HA   GLU  23           HA       GLU  23   2.702  -1.777   5.525
  199   1HB   GLU  23          1HB       GLU  23   0.347  -2.355   4.160
  200   2HB   GLU  23          2HB       GLU  23   1.602  -2.530   2.942
  201   1HG   GLU  23          1HG       GLU  23   2.547  -4.323   3.965
  202   2HG   GLU  23          2HG       GLU  23   2.067  -3.796   5.578
  203    H    ILE  24           H        ILE  24   1.854   0.309   2.803
  204    HA   ILE  24           HA       ILE  24   4.160  -0.193   1.265
  205    HB   ILE  24           HB       ILE  24   3.480   1.441  -0.176
  206   1HG1  ILE  24          1HG1      ILE  24   2.059   3.474   0.701
  207   2HG1  ILE  24          2HG1      ILE  24   2.789   3.062   2.249
  208   1HG2  ILE  24          1HG2      ILE  24   1.447   0.002   0.922
  209   2HG2  ILE  24          2HG2      ILE  24   0.831   1.650   1.028
  210   3HG2  ILE  24          3HG2      ILE  24   1.328   0.994  -0.528
  211   1HD1  ILE  24          1HD1      ILE  24   4.844   3.094   0.302
  212   2HD1  ILE  24          2HD1      ILE  24   3.887   4.565   0.121
  213   3HD1  ILE  24          3HD1      ILE  24   4.610   4.171   1.680
  214    H    GLU  25           H        GLU  25   3.477   2.138   3.819
  215    HA   GLU  25           HA       GLU  25   5.860   3.619   3.645
  216   1HB   GLU  25          1HB       GLU  25   3.763   4.185   4.972
  217   2HB   GLU  25          2HB       GLU  25   4.344   3.062   6.194
  218   1HG   GLU  25          1HG       GLU  25   5.139   5.032   7.019
  219   2HG   GLU  25          2HG       GLU  25   6.518   4.511   6.052
  220    H    ARG  26           H        ARG  26   5.024   0.679   5.416
  221    HA   ARG  26           HA       ARG  26   7.330   0.413   6.956
  222   1HB   ARG  26          1HB       ARG  26   5.192  -1.366   6.000
  223   2HB   ARG  26          2HB       ARG  26   6.714  -2.182   6.329
  224   1HG   ARG  26          1HG       ARG  26   6.486  -0.660   8.547
  225   2HG   ARG  26          2HG       ARG  26   4.786  -0.958   8.174
  226   1HD   ARG  26          1HD       ARG  26   6.201  -3.396   7.841
  227   2HD   ARG  26          2HD       ARG  26   6.675  -2.701   9.391
  228    HE   ARG  26           HE       ARG  26   3.954  -2.496   9.353
  229   1HH1  ARG  26          1HH1      ARG  26   6.233  -5.103   8.979
  230   2HH1  ARG  26          2HH1      ARG  26   5.169  -6.300   9.638
  231   1HH2  ARG  26          1HH2      ARG  26   2.545  -4.065  10.223
  232   2HH2  ARG  26          2HH2      ARG  26   3.072  -5.709  10.345
  233    H    HIS  27           H        HIS  27   6.659  -0.619   3.636
  234    HA   HIS  27           HA       HIS  27   9.156  -1.895   3.220
  235   1HB   HIS  27          1HB       HIS  27   6.778  -1.491   1.748
  236   2HB   HIS  27          2HB       HIS  27   8.082  -0.818   0.776
  237    HD1  HIS  27           HD1      HIS  27   9.907  -2.474  -0.069
  238    HD2  HIS  27           HD2      HIS  27   6.770  -4.264   1.988
  239    HE1  HIS  27           HE1      HIS  27  10.108  -4.935  -0.546
  240    HE2  HIS  27           HE2      HIS  27   8.200  -5.999   0.709
  241    H    LYS  28           H        LYS  28   8.063   1.393   3.074
  242    HA   LYS  28           HA       LYS  28  10.260   2.416   1.561
  243   1HB   LYS  28          1HB       LYS  28   7.919   3.461   1.957
  244   2HB   LYS  28          2HB       LYS  28   8.611   4.057   3.459
  245   1HG   LYS  28          1HG       LYS  28  10.328   4.598   1.192
  246   2HG   LYS  28          2HG       LYS  28   8.716   5.287   0.988
  247   1HD   LYS  28          1HD       LYS  28  10.232   5.633   3.552
  248   2HD   LYS  28          2HD       LYS  28  10.523   6.696   2.174
  249   1HE   LYS  28          1HE       LYS  28   8.087   7.201   2.134
  250   2HE   LYS  28          2HE       LYS  28   7.911   6.258   3.612
  251   1HZ   LYS  28          1HZ       LYS  28   9.957   8.037   4.099
  252   2HZ   LYS  28          2HZ       LYS  28   8.775   8.942   3.295
  253   3HZ   LYS  28          3HZ       LYS  28   8.383   8.106   4.714
  254    H    GLN  29           H        GLN  29   9.701   1.663   4.892
  255    HA   GLN  29           HA       GLN  29  11.837   3.278   5.926
  256   1HB   GLN  29          1HB       GLN  29   9.771   2.470   7.200
  257   2HB   GLN  29          2HB       GLN  29  10.576   0.910   7.298
  258   1HG   GLN  29          1HG       GLN  29  12.545   2.296   8.281
  259   2HG   GLN  29          2HG       GLN  29  11.291   3.494   8.598
  260   2HE2  GLN  29          2HE2      GLN  29  11.127   3.373  10.756
  261   1HE2  GLN  29          1HE2      GLN  29  10.699   1.947  11.633
  262    H    SER  30           H        SER  30  11.407  -0.101   5.004
  263    HA   SER  30           HA       SER  30  13.981  -0.944   5.904
  264   1HB   SER  30          1HB       SER  30  13.347  -2.840   4.099
  265   2HB   SER  30          2HB       SER  30  12.659  -2.797   5.722
  266    HG   SER  30           HG       SER  30  11.502  -1.825   3.323
  267    H    ILE  31           H        ILE  31  12.679   0.239   2.863
  268    HA   ILE  31           HA       ILE  31  15.048  -0.321   1.348
  269    HB   ILE  31           HB       ILE  31  12.800  -0.163   0.319
  270   1HG1  ILE  31          1HG1      ILE  31  15.246   0.628  -0.693
  271   2HG1  ILE  31          2HG1      ILE  31  13.809   0.286  -1.638
  272   1HG2  ILE  31          1HG2      ILE  31  12.102   1.793   1.740
  273   2HG2  ILE  31          2HG2      ILE  31  13.028   2.816   0.644
  274   3HG2  ILE  31          3HG2      ILE  31  11.660   1.885   0.034
  275   1HD1  ILE  31          1HD1      ILE  31  14.392   3.036  -0.599
  276   2HD1  ILE  31          2HD1      ILE  31  15.061   2.442  -2.119
  277   3HD1  ILE  31          3HD1      ILE  31  13.313   2.553  -1.909
  278    H    LYS  32           H        LYS  32  13.792   2.401   3.154
  279    HA   LYS  32           HA       LYS  32  15.738   4.267   2.160
  280   1HB   LYS  32          1HB       LYS  32  13.587   5.092   2.916
  281   2HB   LYS  32          2HB       LYS  32  13.845   4.402   4.512
  282   1HG   LYS  32          1HG       LYS  32  14.975   6.184   5.201
  283   2HG   LYS  32          2HG       LYS  32  15.992   6.190   3.758
  284   1HD   LYS  32          1HD       LYS  32  13.175   7.114   3.499
  285   2HD   LYS  32          2HD       LYS  32  14.333   8.181   4.297
  286   1HE   LYS  32          1HE       LYS  32  15.591   7.185   1.977
  287   2HE   LYS  32          2HE       LYS  32  13.965   7.678   1.506
  288   1HZ   LYS  32          1HZ       LYS  32  14.726   9.738   3.033
  289   2HZ   LYS  32          2HZ       LYS  32  16.211   9.292   2.357
  290   3HZ   LYS  32          3HZ       LYS  32  14.909   9.690   1.352
  291    H    LYS  33           H        LYS  33  15.520   1.995   4.772
  292    HA   LYS  33           HA       LYS  33  17.677   3.107   6.305
  293   1HB   LYS  33          1HB       LYS  33  15.824   1.692   7.254
  294   2HB   LYS  33          2HB       LYS  33  16.549   0.308   6.449
  295   1HG   LYS  33          1HG       LYS  33  17.512   0.060   8.478
  296   2HG   LYS  33          2HG       LYS  33  18.693   1.162   7.769
  297   1HD   LYS  33          1HD       LYS  33  16.794   2.868   8.792
  298   2HD   LYS  33          2HD       LYS  33  16.841   1.570   9.987
  299   1HE   LYS  33          1HE       LYS  33  19.432   2.621   8.996
  300   2HE   LYS  33          2HE       LYS  33  18.494   3.654  10.074
  301   1HZ   LYS  33          1HZ       LYS  33  18.607   0.977  11.035
  302   2HZ   LYS  33          2HZ       LYS  33  20.163   1.605  10.808
  303   3HZ   LYS  33          3HZ       LYS  33  19.062   2.412  11.807
  304    H    LEU  34           H        LEU  34  17.309   0.603   3.866
  305    HA   LEU  34           HA       LEU  34  19.951  -0.435   4.117
  306   1HB   LEU  34          1HB       LEU  34  17.636  -0.833   2.361
  307   2HB   LEU  34          2HB       LEU  34  19.180  -1.047   1.558
  308    HG   LEU  34           HG       LEU  34  18.628  -2.453   4.147
  309   1HD1  LEU  34          1HD1      LEU  34  16.805  -2.787   2.308
  310   2HD1  LEU  34          2HD1      LEU  34  18.044  -3.782   1.542
  311   3HD1  LEU  34          3HD1      LEU  34  17.472  -4.178   3.164
  312   1HD2  LEU  34          1HD2      LEU  34  20.911  -2.339   3.062
  313   2HD2  LEU  34          2HD2      LEU  34  20.297  -3.953   3.414
  314   3HD2  LEU  34          3HD2      LEU  34  20.242  -3.329   1.766
  315    H    LYS  35           H        LYS  35  18.427   2.013   2.087
  316    HA   LYS  35           HA       LYS  35  20.685   2.446   0.412
  317   1HB   LYS  35          1HB       LYS  35  18.219   3.085   0.001
  318   2HB   LYS  35          2HB       LYS  35  18.567   4.506   0.977
  319   1HG   LYS  35          1HG       LYS  35  20.593   4.717  -0.716
  320   2HG   LYS  35          2HG       LYS  35  19.494   3.797  -1.747
  321   1HD   LYS  35          1HD       LYS  35  18.536   6.229  -0.285
  322   2HD   LYS  35          2HD       LYS  35  19.414   6.386  -1.809
  323   1HE   LYS  35          1HE       LYS  35  16.870   4.825  -1.362
  324   2HE   LYS  35          2HE       LYS  35  17.010   6.373  -2.193
  325   1HZ   LYS  35          1HZ       LYS  35  18.755   4.912  -3.569
  326   2HZ   LYS  35          2HZ       LYS  35  17.657   3.702  -3.128
  327   3HZ   LYS  35          3HZ       LYS  35  17.124   5.053  -3.993
  328    H    GLN  36           H        GLN  36  19.588   3.808   3.454
  329    HA   GLN  36           HA       GLN  36  21.426   5.981   3.500
  330   1HB   GLN  36          1HB       GLN  36  19.254   5.654   4.865
  331   2HB   GLN  36          2HB       GLN  36  20.254   4.706   5.958
  332   1HG   GLN  36          1HG       GLN  36  20.712   6.611   6.992
  333   2HG   GLN  36          2HG       GLN  36  21.711   7.018   5.597
  334   2HE2  GLN  36          2HE2      GLN  36  19.883   8.536   7.523
  335   1HE2  GLN  36          1HE2      GLN  36  18.926   9.522   6.478
  336    H    SER  37           H        SER  37  21.538   2.643   4.547
  337    HA   SER  37           HA       SER  37  23.873   2.849   6.143
  338   1HB   SER  37          1HB       SER  37  23.852   0.485   6.225
  339   2HB   SER  37          2HB       SER  37  22.154   0.945   6.102
  340    HG   SER  37           HG       SER  37  23.052  -0.785   4.644
  341    H    GLU  38           H        GLU  38  23.316   2.497   2.725
  342    HA   GLU  38           HA       GLU  38  25.896   1.576   2.001
  343   1HB   GLU  38          1HB       GLU  38  23.511   2.032   0.678
  344   2HB   GLU  38          2HB       GLU  38  24.581   3.253   0.003
  345   1HG   GLU  38          1HG       GLU  38  26.210   1.482  -0.534
  346   2HG   GLU  38          2HG       GLU  38  25.063   0.283   0.063
  347    H    ASP  39           H        ASP  39  24.601   4.709   2.751
  348    HA   ASP  39           HA       ASP  39  26.864   6.132   1.635
  349   1HB   ASP  39          1HB       ASP  39  24.219   6.810   2.394
  350   2HB   ASP  39          2HB       ASP  39  25.303   7.761   3.405
  351    H    ASP  40           H        ASP  40  25.876   4.807   4.675
  352    HA   ASP  40           HA       ASP  40  26.993   4.532   6.639
  353   1HB   ASP  40          1HB       ASP  40  29.101   5.159   4.744
  354   2HB   ASP  40          2HB       ASP  40  29.478   5.775   6.350
  355    H    ASP  41           H        ASP  41  28.736   7.481   5.782
  356    HA   ASP  41           HA       ASP  41  27.852   8.764   8.189
  357   1HB   ASP  41          1HB       ASP  41  30.081   9.004   6.643
  358   2HB   ASP  41          2HB       ASP  41  29.169  10.421   6.133
  359    H1   ALA   1           H1       ALA   1  33.870  -1.608   0.334
  360    H2   ALA   1           H2       ALA   1  34.826  -1.773  -1.079
  361    H3   ALA   1           H3       ALA   1  35.557  -1.299   0.399
  362    HA   ALA   1           HA       ALA   1  34.379   0.728   0.401
  363   1HB   ALA   1          1HB       ALA   1  36.231  -0.078  -1.681
  364   2HB   ALA   1          2HB       ALA   1  36.205   1.383  -0.693
  365   3HB   ALA   1          3HB       ALA   1  35.235   1.295  -2.163
  366    H    LEU   2           H        LEU   2  34.020  -0.343  -2.964
  367    HA   LEU   2           HA       LEU   2  31.359   0.855  -3.010
  368   1HB   LEU   2          1HB       LEU   2  33.466   0.342  -4.963
  369   2HB   LEU   2          2HB       LEU   2  31.874  -0.102  -5.550
  370    HG   LEU   2           HG       LEU   2  31.193   2.281  -4.732
  371   1HD1  LEU   2          1HD1      LEU   2  33.740   2.375  -3.846
  372   2HD1  LEU   2          2HD1      LEU   2  33.924   3.111  -5.437
  373   3HD1  LEU   2          3HD1      LEU   2  32.789   3.797  -4.275
  374   1HD2  LEU   2          1HD2      LEU   2  32.688   1.509  -7.200
  375   2HD2  LEU   2          2HD2      LEU   2  30.980   1.901  -6.997
  376   3HD2  LEU   2          3HD2      LEU   2  32.189   3.183  -6.960
  377    H    LYS   3           H        LYS   3  30.370  -0.819  -1.727
  378    HA   LYS   3           HA       LYS   3  30.345  -3.528  -2.262
  379   1HB   LYS   3          1HB       LYS   3  29.050  -1.882  -0.498
  380   2HB   LYS   3          2HB       LYS   3  27.722  -2.439  -1.507
  381   1HG   LYS   3          1HG       LYS   3  28.074  -3.830   0.495
  382   2HG   LYS   3          2HG       LYS   3  28.237  -4.734  -1.013
  383   1HD   LYS   3          1HD       LYS   3  30.344  -5.289  -0.542
  384   2HD   LYS   3          2HD       LYS   3  30.768  -3.617  -0.172
  385   1HE   LYS   3          1HE       LYS   3  29.423  -4.126   2.037
  386   2HE   LYS   3          2HE       LYS   3  29.838  -5.792   1.637
  387   1HZ   LYS   3          1HZ       LYS   3  32.172  -4.409   1.314
  388   2HZ   LYS   3          2HZ       LYS   3  31.489  -3.721   2.700
  389   3HZ   LYS   3          3HZ       LYS   3  31.767  -5.387   2.632
  390    H    LYS   4           H        LYS   4  27.756  -1.286  -3.251
  391    HA   LYS   4           HA       LYS   4  26.651  -1.077  -5.254
  392   1HB   LYS   4          1HB       LYS   4  28.859  -2.497  -6.096
  393   2HB   LYS   4          2HB       LYS   4  27.525  -3.552  -6.542
  394   1HG   LYS   4          1HG       LYS   4  26.545  -1.889  -7.910
  395   2HG   LYS   4          2HG       LYS   4  27.618  -0.640  -7.275
  396   1HD   LYS   4          1HD       LYS   4  29.381  -1.311  -8.555
  397   2HD   LYS   4          2HD       LYS   4  28.879  -3.003  -8.552
  398   1HE   LYS   4          1HE       LYS   4  27.790  -2.769 -10.483
  399   2HE   LYS   4          2HE       LYS   4  26.958  -1.323  -9.915
  400   1HZ   LYS   4          1HZ       LYS   4  29.755  -1.307 -10.899
  401   2HZ   LYS   4          2HZ       LYS   4  28.422  -0.999 -11.892
  402   3HZ   LYS   4          3HZ       LYS   4  28.761   0.029 -10.593
  403    H    HIS   5           H        HIS   5  27.016  -4.435  -4.119
  404    HA   HIS   5           HA       HIS   5  24.656  -5.515  -5.006
  405   1HB   HIS   5          1HB       HIS   5  25.736  -6.047  -2.240
  406   2HB   HIS   5          2HB       HIS   5  24.862  -7.154  -3.293
  407    HD1  HIS   5           HD1      HIS   5  26.973  -5.890  -5.659
  408    HD2  HIS   5           HD2      HIS   5  27.699  -8.215  -2.291
  409    HE1  HIS   5           HE1      HIS   5  29.174  -7.029  -6.089
  410    HE2  HIS   5           HE2      HIS   5  29.595  -8.431  -4.038
  411    H    HIS   6           H        HIS   6  25.163  -3.286  -2.359
  412    HA   HIS   6           HA       HIS   6  22.682  -3.568  -1.075
  413   1HB   HIS   6          1HB       HIS   6  24.564  -1.211  -1.289
  414   2HB   HIS   6          2HB       HIS   6  23.121  -1.199  -0.281
  415    HD1  HIS   6           HD1      HIS   6  25.138  -4.324  -0.476
  416    HD2  HIS   6           HD2      HIS   6  24.711  -1.045   2.039
  417    HE1  HIS   6           HE1      HIS   6  26.337  -4.944   1.646
  418    HE2  HIS   6           HE2      HIS   6  26.066  -2.944   3.155
  419    H    GLU   7           H        GLU   7  23.708  -1.168  -3.508
  420    HA   GLU   7           HA       GLU   7  21.294   0.125  -3.851
  421   1HB   GLU   7          1HB       GLU   7  23.429   0.855  -4.859
  422   2HB   GLU   7          2HB       GLU   7  23.343  -0.491  -5.987
  423   1HG   GLU   7          1HG       GLU   7  22.547   1.249  -7.254
  424   2HG   GLU   7          2HG       GLU   7  21.057   0.531  -6.645
  425    H    ASN   8           H        ASN   8  22.225  -3.058  -4.820
  426    HA   ASN   8           HA       ASN   8  20.311  -3.425  -6.890
  427   1HB   ASN   8          1HB       ASN   8  22.450  -4.858  -6.033
  428   2HB   ASN   8          2HB       ASN   8  21.136  -5.797  -5.328
  429   2HD2  ASN   8          2HD2      ASN   8  22.640  -7.027  -7.133
  430   1HD2  ASN   8          1HD2      ASN   8  21.806  -7.204  -8.635
  431    H    GLU   9           H        GLU   9  20.387  -4.720  -3.556
  432    HA   GLU   9           HA       GLU   9  17.650  -5.511  -3.616
  433   1HB   GLU   9          1HB       GLU   9  19.177  -6.623  -2.117
  434   2HB   GLU   9          2HB       GLU   9  19.578  -5.105  -1.325
  435   1HG   GLU   9          1HG       GLU   9  17.841  -5.249   0.050
  436   2HG   GLU   9          2HG       GLU   9  16.734  -5.666  -1.257
  437    H    ILE  10           H        ILE  10  19.103  -2.496  -3.343
  438    HA   ILE  10           HA       ILE  10  17.090  -1.273  -1.671
  439    HB   ILE  10           HB       ILE  10  19.551  -0.268  -3.095
  440   1HG1  ILE  10          1HG1      ILE  10  18.819  -0.215  -0.168
  441   2HG1  ILE  10          2HG1      ILE  10  19.724  -1.521  -0.927
  442   1HG2  ILE  10          1HG2      ILE  10  17.276   1.322  -2.492
  443   2HG2  ILE  10          2HG2      ILE  10  18.570   1.754  -1.379
  444   3HG2  ILE  10          3HG2      ILE  10  18.847   1.823  -3.118
  445   1HD1  ILE  10          1HD1      ILE  10  20.738   1.238  -1.286
  446   2HD1  ILE  10          2HD1      ILE  10  20.908   0.494   0.304
  447   3HD1  ILE  10          3HD1      ILE  10  21.615  -0.283  -1.112
  448    H    SER  11           H        SER  11  17.907  -1.648  -5.045
  449    HA   SER  11           HA       SER  11  16.026   0.314  -5.984
  450   1HB   SER  11          1HB       SER  11  18.175  -0.613  -7.171
  451   2HB   SER  11          2HB       SER  11  17.098  -1.902  -7.704
  452    HG   SER  11           HG       SER  11  16.424   0.819  -8.035
  453    H    HIS  12           H        HIS  12  16.058  -3.085  -5.260
  454    HA   HIS  12           HA       HIS  12  13.614  -3.706  -6.598
  455   1HB   HIS  12          1HB       HIS  12  14.604  -5.713  -6.310
  456   2HB   HIS  12          2HB       HIS  12  15.632  -5.109  -5.024
  457    HD1  HIS  12           HD1      HIS  12  12.392  -6.886  -5.628
  458    HD2  HIS  12           HD2      HIS  12  14.755  -5.663  -2.438
  459    HE1  HIS  12           HE1      HIS  12  11.448  -8.051  -3.607
  460    HE2  HIS  12           HE2      HIS  12  12.894  -7.297  -1.687
  461    H    HIS  13           H        HIS  13  14.496  -3.121  -3.177
  462    HA   HIS  13           HA       HIS  13  11.910  -3.359  -2.131
  463   1HB   HIS  13          1HB       HIS  13  14.158  -1.574  -1.175
  464   2HB   HIS  13          2HB       HIS  13  12.719  -1.983  -0.252
  465    HD1  HIS  13           HD1      HIS  13  12.827  -5.080  -1.120
  466    HD2  HIS  13           HD2      HIS  13  15.860  -2.825   0.599
  467    HE1  HIS  13           HE1      HIS  13  14.335  -6.743   0.017
  468    HE2  HIS  13           HE2      HIS  13  16.171  -5.357   1.048
  469    H    ALA  14           H        ALA  14  13.567  -0.665  -3.673
  470    HA   ALA  14           HA       ALA  14  11.772   1.386  -3.050
  471   1HB   ALA  14          1HB       ALA  14  14.087   1.231  -4.470
  472   2HB   ALA  14          2HB       ALA  14  12.909   1.493  -5.756
  473   3HB   ALA  14          3HB       ALA  14  13.032   2.644  -4.426
  474    H    LYS  15           H        LYS  15  11.879  -0.731  -5.911
  475    HA   LYS  15           HA       LYS  15   9.525   0.229  -7.101
  476   1HB   LYS  15          1HB       LYS  15  11.315  -1.264  -8.137
  477   2HB   LYS  15          2HB       LYS  15  10.529  -2.607  -7.319
  478   1HG   LYS  15          1HG       LYS  15   8.425  -2.017  -8.513
  479   2HG   LYS  15          2HG       LYS  15   9.343  -0.817  -9.426
  480   1HD   LYS  15          1HD       LYS  15  10.247  -2.369 -10.762
  481   2HD   LYS  15          2HD       LYS  15  10.594  -3.451  -9.411
  482   1HE   LYS  15          1HE       LYS  15   8.582  -4.535  -9.583
  483   2HE   LYS  15          2HE       LYS  15   7.766  -3.136 -10.279
  484   1HZ   LYS  15          1HZ       LYS  15   9.872  -4.438 -11.846
  485   2HZ   LYS  15          2HZ       LYS  15   8.370  -5.208 -11.731
  486   3HZ   LYS  15          3HZ       LYS  15   8.473  -3.645 -12.371
  487    H    GLU  16           H        GLU  16  10.049  -1.816  -4.381
  488    HA   GLU  16           HA       GLU  16   7.505  -3.125  -4.439
  489   1HB   GLU  16          1HB       GLU  16   9.880  -3.119  -2.737
  490   2HB   GLU  16          2HB       GLU  16   8.384  -3.250  -1.822
  491   1HG   GLU  16          1HG       GLU  16   9.355  -5.072  -4.007
  492   2HG   GLU  16          2HG       GLU  16   9.174  -5.447  -2.294
  493    H    ILE  17           H        ILE  17   8.824  -0.250  -2.836
  494    HA   ILE  17           HA       ILE  17   6.522   0.191  -1.214
  495    HB   ILE  17           HB       ILE  17   7.526   2.162  -0.488
  496   1HG1  ILE  17          1HG1      ILE  17   9.636   2.942  -2.031
  497   2HG1  ILE  17          2HG1      ILE  17   8.525   2.361  -3.266
  498   1HG2  ILE  17          1HG2      ILE  17   9.080  -0.133  -0.745
  499   2HG2  ILE  17          2HG2      ILE  17  10.156   1.204  -1.151
  500   3HG2  ILE  17          3HG2      ILE  17   9.308   1.193   0.394
  501   1HD1  ILE  17          1HD1      ILE  17   7.603   4.270  -1.161
  502   2HD1  ILE  17          2HD1      ILE  17   8.457   4.838  -2.597
  503   3HD1  ILE  17          3HD1      ILE  17   6.933   3.966  -2.764
  504    H    GLU  18           H        GLU  18   7.480   1.191  -4.433
  505    HA   GLU  18           HA       GLU  18   5.391   3.120  -4.749
  506   1HB   GLU  18          1HB       GLU  18   7.679   2.736  -6.063
  507   2HB   GLU  18          2HB       GLU  18   6.627   1.804  -7.119
  508   1HG   GLU  18          1HG       GLU  18   5.138   3.954  -7.025
  509   2HG   GLU  18          2HG       GLU  18   6.655   4.727  -6.568
  510    H    ARG  19           H        ARG  19   5.834  -0.270  -5.647
  511    HA   ARG  19           HA       ARG  19   3.413  -0.497  -7.110
  512   1HB   ARG  19          1HB       ARG  19   5.448  -2.367  -6.028
  513   2HB   ARG  19          2HB       ARG  19   3.855  -3.038  -6.350
  514   1HG   ARG  19          1HG       ARG  19   4.099  -1.934  -8.665
  515   2HG   ARG  19          2HG       ARG  19   5.815  -1.838  -8.263
  516   1HD   ARG  19          1HD       ARG  19   6.123  -4.059  -8.484
  517   2HD   ARG  19          2HD       ARG  19   4.559  -4.449  -7.768
  518    HE   ARG  19           HE       ARG  19   3.899  -3.433 -10.188
  519   1HH1  ARG  19          1HH1      ARG  19   6.091  -5.934  -9.155
  520   2HH1  ARG  19          2HH1      ARG  19   5.920  -6.864 -10.606
  521   1HH2  ARG  19          1HH2      ARG  19   3.666  -4.650 -12.103
  522   2HH2  ARG  19          2HH2      ARG  19   4.541  -6.133 -12.282
  523    H    LEU  20           H        LEU  20   4.261  -0.815  -3.733
  524    HA   LEU  20           HA       LEU  20   1.883  -2.089  -2.879
  525   1HB   LEU  20          1HB       LEU  20   4.271  -1.231  -1.700
  526   2HB   LEU  20          2HB       LEU  20   3.016  -0.308  -0.896
  527    HG   LEU  20           HG       LEU  20   3.331  -2.226   0.430
  528   1HD1  LEU  20          1HD1      LEU  20   0.899  -1.763  -0.872
  529   2HD1  LEU  20          2HD1      LEU  20   1.110  -3.514  -0.857
  530   3HD1  LEU  20          3HD1      LEU  20   1.158  -2.608   0.656
  531   1HD2  LEU  20          1HD2      LEU  20   3.681  -3.566  -2.175
  532   2HD2  LEU  20          2HD2      LEU  20   4.509  -3.828  -0.641
  533   3HD2  LEU  20          3HD2      LEU  20   2.907  -4.516  -0.906
  534    H    GLN  21           H        GLN  21   2.885   1.301  -3.092
  535    HA   GLN  21           HA       GLN  21   0.636   2.475  -1.935
  536   1HB   GLN  21          1HB       GLN  21   2.617   3.776  -2.399
  537   2HB   GLN  21          2HB       GLN  21   2.453   3.490  -4.126
  538   1HG   GLN  21          1HG       GLN  21   1.676   5.658  -3.833
  539   2HG   GLN  21          2HG       GLN  21   0.206   4.689  -3.928
  540   2HE2  GLN  21          2HE2      GLN  21   2.413   6.308  -1.724
  541   1HE2  GLN  21          1HE2      GLN  21   1.269   6.537  -0.450
  542    H    LYS  22           H        LYS  22   1.265   1.661  -5.341
  543    HA   LYS  22           HA       LYS  22  -1.145   2.645  -6.381
  544   1HB   LYS  22          1HB       LYS  22   0.892   0.664  -7.283
  545   2HB   LYS  22          2HB       LYS  22  -0.654   0.691  -8.118
  546   1HG   LYS  22          1HG       LYS  22  -0.245   2.680  -9.104
  547   2HG   LYS  22          2HG       LYS  22   0.665   3.302  -7.723
  548   1HD   LYS  22          1HD       LYS  22   2.113   2.988  -9.665
  549   2HD   LYS  22          2HD       LYS  22   2.572   1.908  -8.347
  550   1HE   LYS  22          1HE       LYS  22   2.140   0.079  -9.557
  551   2HE   LYS  22          2HE       LYS  22   0.609   0.729 -10.142
  552   1HZ   LYS  22          1HZ       LYS  22   1.841   2.014 -11.790
  553   2HZ   LYS  22          2HZ       LYS  22   3.298   1.355 -11.239
  554   3HZ   LYS  22          3HZ       LYS  22   2.138   0.358 -11.961
  555    H    GLU  23           H        GLU  23  -0.348  -0.377  -4.806
  556    HA   GLU  23           HA       GLU  23  -2.705  -1.783  -5.509
  557   1HB   GLU  23          1HB       GLU  23  -0.352  -2.358  -4.133
  558   2HB   GLU  23          2HB       GLU  23  -1.616  -2.538  -2.924
  559   1HG   GLU  23          1HG       GLU  23  -2.543  -4.336  -3.953
  560   2HG   GLU  23          2HG       GLU  23  -2.071  -3.797  -5.564
  561    H    ILE  24           H        ILE  24  -1.866   0.310  -2.787
  562    HA   ILE  24           HA       ILE  24  -4.179  -0.195  -1.260
  563    HB   ILE  24           HB       ILE  24  -3.512   1.449   0.182
  564   1HG1  ILE  24          1HG1      ILE  24  -2.049   3.456  -0.700
  565   2HG1  ILE  24          2HG1      ILE  24  -2.788   3.045  -2.244
  566   1HG2  ILE  24          1HG2      ILE  24  -1.602  -0.085  -0.346
  567   2HG2  ILE  24          2HG2      ILE  24  -0.935   1.208  -1.340
  568   3HG2  ILE  24          3HG2      ILE  24  -1.158   1.453   0.390
  569   1HD1  ILE  24          1HD1      ILE  24  -4.839   3.116  -0.296
  570   2HD1  ILE  24          2HD1      ILE  24  -3.860   4.573  -0.119
  571   3HD1  ILE  24          3HD1      ILE  24  -4.589   4.187  -1.678
  572    H    GLU  25           H        GLU  25  -3.484   2.130  -3.816
  573    HA   GLU  25           HA       GLU  25  -5.863   3.619  -3.644
  574   1HB   GLU  25          1HB       GLU  25  -3.761   4.179  -4.968
  575   2HB   GLU  25          2HB       GLU  25  -4.347   3.059  -6.192
  576   1HG   GLU  25          1HG       GLU  25  -5.131   5.035  -7.013
  577   2HG   GLU  25          2HG       GLU  25  -6.515   4.513  -6.052
  578    H    ARG  26           H        ARG  26  -5.029   0.679  -5.415
  579    HA   ARG  26           HA       ARG  26  -7.334   0.415  -6.955
  580   1HB   ARG  26          1HB       ARG  26  -5.195  -1.366  -6.001
  581   2HB   ARG  26          2HB       ARG  26  -6.718  -2.182  -6.334
  582   1HG   ARG  26          1HG       ARG  26  -6.487  -0.654  -8.548
  583   2HG   ARG  26          2HG       ARG  26  -4.788  -0.953  -8.174
  584   1HD   ARG  26          1HD       ARG  26  -6.204  -3.391  -7.847
  585   2HD   ARG  26          2HD       ARG  26  -6.676  -2.693  -9.395
  586    HE   ARG  26           HE       ARG  26  -3.955  -2.488  -9.357
  587   1HH1  ARG  26          1HH1      ARG  26  -6.233  -5.096  -8.987
  588   2HH1  ARG  26          2HH1      ARG  26  -5.168  -6.292  -9.647
  589   1HH2  ARG  26          1HH2      ARG  26  -2.545  -4.055 -10.229
  590   2HH2  ARG  26          2HH2      ARG  26  -3.071  -5.701 -10.353
  591    H    HIS  27           H        HIS  27  -6.662  -0.610  -3.633
  592    HA   HIS  27           HA       HIS  27  -9.158  -1.893  -3.218
  593   1HB   HIS  27          1HB       HIS  27  -6.780  -1.488  -1.747
  594   2HB   HIS  27          2HB       HIS  27  -8.083  -0.817  -0.773
  595    HD1  HIS  27           HD1      HIS  27  -9.903  -2.476   0.075
  596    HD2  HIS  27           HD2      HIS  27  -6.771  -4.261  -1.995
  597    HE1  HIS  27           HE1      HIS  27 -10.101  -4.938   0.546
  598    HE2  HIS  27           HE2      HIS  27  -8.196  -5.999  -0.716
  599    H    LYS  28           H        LYS  28  -8.064   1.396  -3.071
  600    HA   LYS  28           HA       LYS  28 -10.260   2.417  -1.556
  601   1HB   LYS  28          1HB       LYS  28  -7.919   3.462  -1.952
  602   2HB   LYS  28          2HB       LYS  28  -8.612   4.061  -3.452
  603   1HG   LYS  28          1HG       LYS  28 -10.326   4.598  -1.183
  604   2HG   LYS  28          2HG       LYS  28  -8.715   5.286  -0.980
  605   1HD   LYS  28          1HD       LYS  28 -10.233   5.637  -3.540
  606   2HD   LYS  28          2HD       LYS  28 -10.522   6.698  -2.160
  607   1HE   LYS  28          1HE       LYS  28  -8.086   7.203  -2.122
  608   2HE   LYS  28          2HE       LYS  28  -7.911   6.261  -3.602
  609   1HZ   LYS  28          1HZ       LYS  28  -9.957   8.040  -4.086
  610   2HZ   LYS  28          2HZ       LYS  28  -8.774   8.944  -3.282
  611   3HZ   LYS  28          3HZ       LYS  28  -8.383   8.110  -4.702
  612    H    GLN  29           H        GLN  29  -9.701   1.670  -4.888
  613    HA   GLN  29           HA       GLN  29 -11.838   3.286  -5.919
  614   1HB   GLN  29          1HB       GLN  29  -9.773   2.479  -7.195
  615   2HB   GLN  29          2HB       GLN  29 -10.576   0.918  -7.294
  616   1HG   GLN  29          1HG       GLN  29 -12.547   2.304  -8.277
  617   2HG   GLN  29          2HG       GLN  29 -11.293   3.503  -8.592
  618   2HE2  GLN  29          2HE2      GLN  29 -11.128   3.384 -10.750
  619   1HE2  GLN  29          1HE2      GLN  29 -10.699   1.959 -11.628
  620    H    SER  30           H        SER  30 -11.407  -0.095  -5.006
  621    HA   SER  30           HA       SER  30 -13.982  -0.937  -5.905
  622   1HB   SER  30          1HB       SER  30 -13.348  -2.836  -4.104
  623   2HB   SER  30          2HB       SER  30 -12.658  -2.790  -5.726
  624    HG   SER  30           HG       SER  30 -11.505  -1.825  -3.324
  625    H    ILE  31           H        ILE  31 -12.679   0.242  -2.862
  626    HA   ILE  31           HA       ILE  31 -15.047  -0.322  -1.347
  627    HB   ILE  31           HB       ILE  31 -12.800  -0.164  -0.320
  628   1HG1  ILE  31          1HG1      ILE  31 -15.246   0.627   0.695
  629   2HG1  ILE  31          2HG1      ILE  31 -13.808   0.284   1.639
  630   1HG2  ILE  31          1HG2      ILE  31 -12.104   1.794  -1.740
  631   2HG2  ILE  31          2HG2      ILE  31 -13.029   2.816  -0.640
  632   3HG2  ILE  31          3HG2      ILE  31 -11.660   1.883  -0.036
  633   1HD1  ILE  31          1HD1      ILE  31 -14.389   3.036   0.602
  634   2HD1  ILE  31          2HD1      ILE  31 -15.059   2.442   2.122
  635   3HD1  ILE  31          3HD1      ILE  31 -13.311   2.551   1.911
  636    H    LYS  32           H        LYS  32 -13.793   2.404  -3.149
  637    HA   LYS  32           HA       LYS  32 -15.739   4.268  -2.153
  638   1HB   LYS  32          1HB       LYS  32 -13.588   5.093  -2.911
  639   2HB   LYS  32          2HB       LYS  32 -13.850   4.405  -4.507
  640   1HG   LYS  32          1HG       LYS  32 -14.978   6.190  -5.190
  641   2HG   LYS  32          2HG       LYS  32 -15.994   6.193  -3.746
  642   1HD   LYS  32          1HD       LYS  32 -13.177   7.114  -3.488
  643   2HD   LYS  32          2HD       LYS  32 -14.334   8.183  -4.283
  644   1HE   LYS  32          1HE       LYS  32 -15.591   7.184  -1.964
  645   2HE   LYS  32          2HE       LYS  32 -13.965   7.675  -1.493
  646   1HZ   LYS  32          1HZ       LYS  32 -14.726   9.738  -3.015
  647   2HZ   LYS  32          2HZ       LYS  32 -16.212   9.290  -2.340
  648   3HZ   LYS  32          3HZ       LYS  32 -14.909   9.687  -1.334
  649    H    LYS  33           H        LYS  33 -15.524   1.998  -4.766
  650    HA   LYS  33           HA       LYS  33 -17.681   3.109  -6.298
  651   1HB   LYS  33          1HB       LYS  33 -15.827   1.694  -7.246
  652   2HB   LYS  33          2HB       LYS  33 -16.555   0.310  -6.444
  653   1HG   LYS  33          1HG       LYS  33 -17.515   0.065  -8.475
  654   2HG   LYS  33          2HG       LYS  33 -18.696   1.168  -7.766
  655   1HD   LYS  33          1HD       LYS  33 -16.796   2.875  -8.783
  656   2HD   LYS  33          2HD       LYS  33 -16.842   1.580  -9.980
  657   1HE   LYS  33          1HE       LYS  33 -19.433   2.631  -8.989
  658   2HE   LYS  33          2HE       LYS  33 -18.493   3.664 -10.065
  659   1HZ   LYS  33          1HZ       LYS  33 -18.608   0.989 -11.031
  660   2HZ   LYS  33          2HZ       LYS  33 -20.163   1.616 -10.804
  661   3HZ   LYS  33          3HZ       LYS  33 -19.063   2.425 -11.800
  662    H    LEU  34           H        LEU  34 -17.312   0.605  -3.860
  663    HA   LEU  34           HA       LEU  34 -19.955  -0.432  -4.111
  664   1HB   LEU  34          1HB       LEU  34 -17.640  -0.832  -2.354
  665   2HB   LEU  34          2HB       LEU  34 -19.185  -1.051  -1.555
  666    HG   LEU  34           HG       LEU  34 -18.629  -2.448  -4.146
  667   1HD1  LEU  34          1HD1      LEU  34 -16.804  -2.785  -2.312
  668   2HD1  LEU  34          2HD1      LEU  34 -18.041  -3.780  -1.544
  669   3HD1  LEU  34          3HD1      LEU  34 -17.472  -4.176  -3.166
  670   1HD2  LEU  34          1HD2      LEU  34 -20.913  -2.342  -3.063
  671   2HD2  LEU  34          2HD2      LEU  34 -20.294  -3.954  -3.418
  672   3HD2  LEU  34          3HD2      LEU  34 -20.241  -3.333  -1.768
  673    H    LYS  35           H        LYS  35 -18.429   2.015  -2.083
  674    HA   LYS  35           HA       LYS  35 -20.686   2.447  -0.405
  675   1HB   LYS  35          1HB       LYS  35 -18.221   3.081   0.009
  676   2HB   LYS  35          2HB       LYS  35 -18.564   4.504  -0.968
  677   1HG   LYS  35          1HG       LYS  35 -20.591   4.719   0.722
  678   2HG   LYS  35          2HG       LYS  35 -19.497   3.796   1.755
  679   1HD   LYS  35          1HD       LYS  35 -18.529   6.227   0.295
  680   2HD   LYS  35          2HD       LYS  35 -19.408   6.384   1.818
  681   1HE   LYS  35          1HE       LYS  35 -16.868   4.819   1.370
  682   2HE   LYS  35          2HE       LYS  35 -17.006   6.365   2.206
  683   1HZ   LYS  35          1HZ       LYS  35 -18.755   4.902   3.576
  684   2HZ   LYS  35          2HZ       LYS  35 -17.656   3.694   3.133
  685   3HZ   LYS  35          3HZ       LYS  35 -17.124   5.042   4.004
  686    H    GLN  36           H        GLN  36 -19.590   3.807  -3.446
  687    HA   GLN  36           HA       GLN  36 -21.427   5.982  -3.488
  688   1HB   GLN  36          1HB       GLN  36 -19.254   5.659  -4.853
  689   2HB   GLN  36          2HB       GLN  36 -20.253   4.713  -5.948
  690   1HG   GLN  36          1HG       GLN  36 -20.712   6.619  -6.979
  691   2HG   GLN  36          2HG       GLN  36 -21.711   7.023  -5.584
  692   2HE2  GLN  36          2HE2      GLN  36 -19.882   8.543  -7.508
  693   1HE2  GLN  36          1HE2      GLN  36 -18.925   9.528  -6.460
  694    H    SER  37           H        SER  37 -21.539   2.645  -4.537
  695    HA   SER  37           HA       SER  37 -23.873   2.854  -6.134
  696   1HB   SER  37          1HB       SER  37 -23.851   0.489  -6.221
  697   2HB   SER  37          2HB       SER  37 -22.153   0.951  -6.097
  698    HG   SER  37           HG       SER  37 -23.052  -0.782  -4.642
  699    H    GLU  38           H        GLU  38 -23.316   2.496  -2.718
  700    HA   GLU  38           HA       GLU  38 -25.895   1.574  -1.995
  701   1HB   GLU  38          1HB       GLU  38 -23.510   2.027  -0.671
  702   2HB   GLU  38          2HB       GLU  38 -24.581   3.247   0.006
  703   1HG   GLU  38          1HG       GLU  38 -26.209   1.474   0.539
  704   2HG   GLU  38          2HG       GLU  38 -25.062   0.276  -0.060
  705    H    ASP  39           H        ASP  39 -24.601   4.708  -2.741
  706    HA   ASP  39           HA       ASP  39 -26.864   6.129  -1.622
  707   1HB   ASP  39          1HB       ASP  39 -24.219   6.808  -2.380
  708   2HB   ASP  39          2HB       ASP  39 -25.303   7.760  -3.389
  709    H    ASP  40           H        ASP  40 -25.876   4.809  -4.664
  710    HA   ASP  40           HA       ASP  40 -26.994   4.537  -6.628
  711   1HB   ASP  40          1HB       ASP  40 -29.101   5.162  -4.732
  712   2HB   ASP  40          2HB       ASP  40 -29.478   5.779  -6.338
  713    H    ASP  41           H        ASP  41 -28.737   7.485  -5.767
  714    HA   ASP  41           HA       ASP  41 -27.853   8.771  -8.171
  715   1HB   ASP  41          1HB       ASP  41 -30.081   9.009  -6.625
  716   2HB   ASP  41          2HB       ASP  41 -29.169  10.425  -6.113

  No H/Q in entry =         716
  Start of MODEL   13
    1    H1   ALA   1           H1       ALA   1 -36.178  -6.940   2.805
    2    H2   ALA   1           H2       ALA   1 -36.352  -8.596   3.211
    3    H3   ALA   1           H3       ALA   1 -35.294  -7.596   4.122
    4    HA   ALA   1           HA       ALA   1 -33.999  -8.910   2.722
    5   1HB   ALA   1          1HB       ALA   1 -35.809  -9.475   1.140
    6   2HB   ALA   1          2HB       ALA   1 -34.315  -9.000   0.331
    7   3HB   ALA   1          3HB       ALA   1 -35.662  -7.865   0.433
    8    H    LEU   2           H        LEU   2 -33.651  -6.511   3.976
    9    HA   LEU   2           HA       LEU   2 -32.941  -4.358   2.307
   10   1HB   LEU   2          1HB       LEU   2 -31.814  -5.047   5.022
   11   2HB   LEU   2          2HB       LEU   2 -31.749  -3.478   4.241
   12    HG   LEU   2           HG       LEU   2 -34.460  -4.064   4.300
   13   1HD1  LEU   2          1HD1      LEU   2 -33.427  -5.846   6.051
   14   2HD1  LEU   2          2HD1      LEU   2 -33.701  -4.462   7.110
   15   3HD1  LEU   2          3HD1      LEU   2 -35.038  -5.143   6.184
   16   1HD2  LEU   2          1HD2      LEU   2 -32.708  -2.390   6.085
   17   2HD2  LEU   2          2HD2      LEU   2 -33.618  -1.876   4.664
   18   3HD2  LEU   2          3HD2      LEU   2 -34.470  -2.343   6.136
   19    H    LYS   3           H        LYS   3 -30.457  -3.545   2.716
   20    HA   LYS   3           HA       LYS   3 -28.755  -5.713   1.673
   21   1HB   LYS   3          1HB       LYS   3 -29.044  -2.858   0.799
   22   2HB   LYS   3          2HB       LYS   3 -27.524  -3.705   0.546
   23   1HG   LYS   3          1HG       LYS   3 -28.593  -4.074  -1.448
   24   2HG   LYS   3          2HG       LYS   3 -29.037  -5.524  -0.544
   25   1HD   LYS   3          1HD       LYS   3 -31.209  -4.780  -0.176
   26   2HD   LYS   3          2HD       LYS   3 -30.785  -3.094  -0.474
   27   1HE   LYS   3          1HE       LYS   3 -31.415  -3.313  -2.590
   28   2HE   LYS   3          2HE       LYS   3 -30.186  -4.555  -2.823
   29   1HZ   LYS   3          1HZ       LYS   3 -32.936  -5.044  -1.812
   30   2HZ   LYS   3          2HZ       LYS   3 -32.413  -5.338  -3.394
   31   3HZ   LYS   3          3HZ       LYS   3 -31.759  -6.223  -2.107
   32    H    LYS   4           H        LYS   4 -28.340  -5.939   4.054
   33    HA   LYS   4           HA       LYS   4 -26.699  -3.884   5.265
   34   1HB   LYS   4          1HB       LYS   4 -28.286  -6.040   6.204
   35   2HB   LYS   4          2HB       LYS   4 -26.637  -6.341   6.734
   36   1HG   LYS   4          1HG       LYS   4 -27.491  -5.115   8.482
   37   2HG   LYS   4          2HG       LYS   4 -26.707  -3.867   7.512
   38   1HD   LYS   4          1HD       LYS   4 -28.749  -3.089   6.660
   39   2HD   LYS   4          2HD       LYS   4 -29.609  -4.549   7.153
   40   1HE   LYS   4          1HE       LYS   4 -28.603  -3.583   9.526
   41   2HE   LYS   4          2HE       LYS   4 -29.035  -2.115   8.651
   42   1HZ   LYS   4          1HZ       LYS   4 -31.142  -3.848   8.280
   43   2HZ   LYS   4          2HZ       LYS   4 -30.730  -4.009   9.913
   44   3HZ   LYS   4          3HZ       LYS   4 -31.112  -2.486   9.283
   45    H    HIS   5           H        HIS   5 -26.291  -7.116   3.910
   46    HA   HIS   5           HA       HIS   5 -23.700  -7.681   4.651
   47   1HB   HIS   5          1HB       HIS   5 -23.561  -9.040   2.588
   48   2HB   HIS   5          2HB       HIS   5 -25.079  -9.282   3.446
   49    HD1  HIS   5           HD1      HIS   5 -27.201  -8.815   2.181
   50    HD2  HIS   5           HD2      HIS   5 -23.817  -7.449   0.194
   51    HE1  HIS   5           HE1      HIS   5 -27.998  -8.110  -0.098
   52    HE2  HIS   5           HE2      HIS   5 -25.934  -7.286  -1.284
   53    H    HIS   6           H        HIS   6 -24.849  -5.443   2.222
   54    HA   HIS   6           HA       HIS   6 -22.419  -5.032   0.860
   55   1HB   HIS   6          1HB       HIS   6 -25.055  -3.952   0.801
   56   2HB   HIS   6          2HB       HIS   6 -23.923  -2.608   0.892
   57    HD1  HIS   6           HD1      HIS   6 -23.290  -5.829  -0.979
   58    HD2  HIS   6           HD2      HIS   6 -24.050  -1.814  -1.733
   59    HE1  HIS   6           HE1      HIS   6 -22.947  -5.532  -3.453
   60    HE2  HIS   6           HE2      HIS   6 -23.413  -3.094  -3.888
   61    H    GLU   7           H        GLU   7 -23.960  -3.069   3.412
   62    HA   GLU   7           HA       GLU   7 -21.965  -1.199   3.762
   63   1HB   GLU   7          1HB       GLU   7 -24.320  -1.531   4.917
   64   2HB   GLU   7          2HB       GLU   7 -23.349  -2.276   6.179
   65   1HG   GLU   7          1HG       GLU   7 -22.116  -0.267   6.521
   66   2HG   GLU   7          2HG       GLU   7 -22.847   0.485   5.104
   67    H    ASN   8           H        ASN   8 -21.985  -4.538   4.646
   68    HA   ASN   8           HA       ASN   8 -19.917  -4.409   6.606
   69   1HB   ASN   8          1HB       ASN   8 -21.413  -6.526   5.193
   70   2HB   ASN   8          2HB       ASN   8 -19.778  -6.968   5.678
   71   2HD2  ASN   8          2HD2      ASN   8 -20.453  -8.424   7.214
   72   1HD2  ASN   8          1HD2      ASN   8 -21.200  -7.944   8.695
   73    H    GLU   9           H        GLU   9 -19.917  -5.635   3.252
   74    HA   GLU   9           HA       GLU   9 -17.159  -5.953   3.008
   75   1HB   GLU   9          1HB       GLU   9 -19.418  -5.605   1.104
   76   2HB   GLU   9          2HB       GLU   9 -17.793  -5.371   0.475
   77   1HG   GLU   9          1HG       GLU   9 -18.645  -7.662   0.168
   78   2HG   GLU   9          2HG       GLU   9 -17.161  -7.591   1.116
   79    H    ILE  10           H        ILE  10 -19.077  -3.097   3.082
   80    HA   ILE  10           HA       ILE  10 -17.284  -1.385   1.699
   81    HB   ILE  10           HB       ILE  10 -19.880  -1.189   2.735
   82   1HG1  ILE  10          1HG1      ILE  10 -19.057   1.348   1.754
   83   2HG1  ILE  10          2HG1      ILE  10 -18.191   0.107   0.853
   84   1HG2  ILE  10          1HG2      ILE  10 -18.156   0.921   4.024
   85   2HG2  ILE  10          2HG2      ILE  10 -19.917   0.957   3.931
   86   3HG2  ILE  10          3HG2      ILE  10 -19.108  -0.312   4.851
   87   1HD1  ILE  10          1HD1      ILE  10 -20.870  -0.742   1.060
   88   2HD1  ILE  10          2HD1      ILE  10 -20.889   0.959   0.587
   89   3HD1  ILE  10          3HD1      ILE  10 -19.994  -0.215  -0.379
   90    H    SER  11           H        SER  11 -17.954  -1.850   5.174
   91    HA   SER  11           HA       SER  11 -15.942  -0.121   6.098
   92   1HB   SER  11          1HB       SER  11 -17.947  -1.422   7.314
   93   2HB   SER  11          2HB       SER  11 -16.622  -2.503   7.744
   94    HG   SER  11           HG       SER  11 -17.013  -0.743   9.246
   95    H    HIS  12           H        HIS  12 -15.810  -3.353   4.876
   96    HA   HIS  12           HA       HIS  12 -13.287  -4.011   6.053
   97   1HB   HIS  12          1HB       HIS  12 -14.112  -6.031   5.523
   98   2HB   HIS  12          2HB       HIS  12 -15.305  -5.330   4.444
   99    HD1  HIS  12           HD1      HIS  12 -11.740  -6.608   4.415
  100    HD2  HIS  12           HD2      HIS  12 -14.843  -5.756   1.787
  101    HE1  HIS  12           HE1      HIS  12 -10.984  -7.482   2.180
  102    HE2  HIS  12           HE2      HIS  12 -12.879  -6.958   0.603
  103    H    HIS  13           H        HIS  13 -14.326  -2.922   2.820
  104    HA   HIS  13           HA       HIS  13 -11.761  -2.934   1.658
  105   1HB   HIS  13          1HB       HIS  13 -14.089  -1.127   0.993
  106   2HB   HIS  13          2HB       HIS  13 -12.694  -1.431  -0.032
  107    HD1  HIS  13           HD1      HIS  13 -12.770  -4.604   0.551
  108    HD2  HIS  13           HD2      HIS  13 -15.864  -2.201  -0.819
  109    HE1  HIS  13           HE1      HIS  13 -14.339  -6.158  -0.656
  110    HE2  HIS  13           HE2      HIS  13 -16.210  -4.682  -1.478
  111    H    ALA  14           H        ALA  14 -13.363  -0.708   3.790
  112    HA   ALA  14           HA       ALA  14 -11.708   1.549   3.299
  113   1HB   ALA  14          1HB       ALA  14 -13.599   0.757   5.476
  114   2HB   ALA  14          2HB       ALA  14 -12.541   2.151   5.697
  115   3HB   ALA  14          3HB       ALA  14 -13.685   2.116   4.354
  116    H    LYS  15           H        LYS  15 -11.740  -0.836   5.956
  117    HA   LYS  15           HA       LYS  15  -9.343   0.057   7.139
  118   1HB   LYS  15          1HB       LYS  15 -11.258  -1.975   7.615
  119   2HB   LYS  15          2HB       LYS  15  -9.690  -2.765   7.536
  120   1HG   LYS  15          1HG       LYS  15  -8.928  -1.759   9.422
  121   2HG   LYS  15          2HG       LYS  15  -9.894  -0.304   9.171
  122   1HD   LYS  15          1HD       LYS  15 -11.919  -1.807   9.662
  123   2HD   LYS  15          2HD       LYS  15 -10.739  -2.952  10.306
  124   1HE   LYS  15          1HE       LYS  15  -9.890  -0.897  11.658
  125   2HE   LYS  15          2HE       LYS  15 -11.482  -0.229  11.299
  126   1HZ   LYS  15          1HZ       LYS  15 -11.488  -2.945  12.301
  127   2HZ   LYS  15          2HZ       LYS  15 -10.946  -1.783  13.406
  128   3HZ   LYS  15          3HZ       LYS  15 -12.480  -1.637  12.709
  129    H    GLU  16           H        GLU  16  -9.963  -1.745   4.291
  130    HA   GLU  16           HA       GLU  16  -7.431  -3.092   4.195
  131   1HB   GLU  16          1HB       GLU  16  -9.716  -2.750   2.279
  132   2HB   GLU  16          2HB       GLU  16  -8.189  -3.432   1.736
  133   1HG   GLU  16          1HG       GLU  16  -9.684  -4.536   4.089
  134   2HG   GLU  16          2HG       GLU  16 -10.007  -5.055   2.436
  135    H    ILE  17           H        ILE  17  -8.822  -0.132   2.818
  136    HA   ILE  17           HA       ILE  17  -6.549   0.388   1.155
  137    HB   ILE  17           HB       ILE  17  -7.590   2.370   0.509
  138   1HG1  ILE  17          1HG1      ILE  17  -9.703   3.061   2.076
  139   2HG1  ILE  17          2HG1      ILE  17  -8.600   2.429   3.295
  140   1HG2  ILE  17          1HG2      ILE  17  -9.086   0.036   0.673
  141   2HG2  ILE  17          2HG2      ILE  17 -10.191   1.324   1.147
  142   3HG2  ILE  17          3HG2      ILE  17  -9.353   1.406  -0.399
  143   1HD1  ILE  17          1HD1      ILE  17  -6.864   3.981   2.425
  144   2HD1  ILE  17          2HD1      ILE  17  -8.093   4.684   1.373
  145   3HD1  ILE  17          3HD1      ILE  17  -8.272   4.780   3.126
  146    H    GLU  18           H        GLU  18  -7.499   1.278   4.410
  147    HA   GLU  18           HA       GLU  18  -5.395   3.201   4.754
  148   1HB   GLU  18          1HB       GLU  18  -7.724   2.763   6.056
  149   2HB   GLU  18          2HB       GLU  18  -6.612   1.940   7.141
  150   1HG   GLU  18          1HG       GLU  18  -5.668   3.855   7.847
  151   2HG   GLU  18          2HG       GLU  18  -5.781   4.622   6.265
  152    H    ARG  19           H        ARG  19  -5.871  -0.209   5.462
  153    HA   ARG  19           HA       ARG  19  -3.496  -0.498   7.019
  154   1HB   ARG  19          1HB       ARG  19  -5.470  -2.035   7.134
  155   2HB   ARG  19          2HB       ARG  19  -5.032  -2.644   5.545
  156   1HG   ARG  19          1HG       ARG  19  -3.034  -3.602   6.352
  157   2HG   ARG  19          2HG       ARG  19  -3.147  -2.729   7.881
  158   1HD   ARG  19          1HD       ARG  19  -5.199  -4.740   6.987
  159   2HD   ARG  19          2HD       ARG  19  -3.780  -5.179   7.937
  160    HE   ARG  19           HE       ARG  19  -5.239  -3.048   9.139
  161   1HH1  ARG  19          1HH1      ARG  19  -5.199  -6.501   8.687
  162   2HH1  ARG  19          2HH1      ARG  19  -6.084  -6.832  10.138
  163   1HH2  ARG  19          1HH2      ARG  19  -6.404  -3.472  11.053
  164   2HH2  ARG  19          2HH2      ARG  19  -6.770  -5.109  11.484
  165    H    LEU  20           H        LEU  20  -4.287  -0.740   3.618
  166    HA   LEU  20           HA       LEU  20  -1.865  -2.009   2.824
  167   1HB   LEU  20          1HB       LEU  20  -3.919  -0.405   1.306
  168   2HB   LEU  20          2HB       LEU  20  -2.523  -1.138   0.539
  169    HG   LEU  20           HG       LEU  20  -4.362  -2.855   2.152
  170   1HD1  LEU  20          1HD1      LEU  20  -5.392  -1.271   0.176
  171   2HD1  LEU  20          2HD1      LEU  20  -4.976  -2.743  -0.699
  172   3HD1  LEU  20          3HD1      LEU  20  -6.055  -2.820   0.694
  173   1HD2  LEU  20          1HD2      LEU  20  -2.173  -3.180   0.273
  174   2HD2  LEU  20          2HD2      LEU  20  -2.852  -4.325   1.430
  175   3HD2  LEU  20          3HD2      LEU  20  -3.586  -4.140  -0.163
  176    H    GLN  21           H        GLN  21  -2.957   1.340   3.055
  177    HA   GLN  21           HA       GLN  21  -0.720   2.546   1.849
  178   1HB   GLN  21          1HB       GLN  21  -3.092   3.460   2.787
  179   2HB   GLN  21          2HB       GLN  21  -2.017   4.010   4.066
  180   1HG   GLN  21          1HG       GLN  21  -1.287   4.543   1.229
  181   2HG   GLN  21          2HG       GLN  21  -2.533   5.523   2.001
  182   2HE2  GLN  21          2HE2      GLN  21   0.822   4.516   2.169
  183   1HE2  GLN  21          1HE2      GLN  21   1.378   5.864   3.097
  184    H    LYS  22           H        LYS  22  -1.409   1.675   5.211
  185    HA   LYS  22           HA       LYS  22   0.902   2.824   6.341
  186   1HB   LYS  22          1HB       LYS  22  -0.923   0.596   7.220
  187   2HB   LYS  22          2HB       LYS  22   0.474   1.076   8.175
  188   1HG   LYS  22          1HG       LYS  22  -0.412   3.299   8.442
  189   2HG   LYS  22          2HG       LYS  22  -1.760   2.924   7.366
  190   1HD   LYS  22          1HD       LYS  22  -1.474   1.052   9.594
  191   2HD   LYS  22          2HD       LYS  22  -1.794   2.712  10.099
  192   1HE   LYS  22          1HE       LYS  22  -3.573   2.443   8.078
  193   2HE   LYS  22          2HE       LYS  22  -3.521   0.790   8.689
  194   1HZ   LYS  22          1HZ       LYS  22  -4.055   3.202  10.338
  195   2HZ   LYS  22          2HZ       LYS  22  -5.234   2.129   9.775
  196   3HZ   LYS  22          3HZ       LYS  22  -4.068   1.600  10.881
  197    H    GLU  23           H        GLU  23   0.274  -0.305   4.868
  198    HA   GLU  23           HA       GLU  23   2.691  -1.553   5.642
  199   1HB   GLU  23          1HB       GLU  23   0.392  -2.263   4.187
  200   2HB   GLU  23          2HB       GLU  23   1.741  -2.494   3.083
  201   1HG   GLU  23          1HG       GLU  23   2.815  -3.993   4.602
  202   2HG   GLU  23          2HG       GLU  23   1.631  -3.641   5.861
  203    H    ILE  24           H        ILE  24   1.788   0.393   2.834
  204    HA   ILE  24           HA       ILE  24   4.147  -0.039   1.357
  205    HB   ILE  24           HB       ILE  24   3.410   1.504  -0.154
  206   1HG1  ILE  24          1HG1      ILE  24   1.883   3.502   0.635
  207   2HG1  ILE  24          2HG1      ILE  24   2.624   3.183   2.200
  208   1HG2  ILE  24          1HG2      ILE  24   1.499  -0.057   0.703
  209   2HG2  ILE  24          2HG2      ILE  24   0.774   1.464   1.222
  210   3HG2  ILE  24          3HG2      ILE  24   1.167   1.211  -0.477
  211   1HD1  ILE  24          1HD1      ILE  24   4.684   3.236   0.258
  212   2HD1  ILE  24          2HD1      ILE  24   3.660   4.653   0.017
  213   3HD1  ILE  24          3HD1      ILE  24   4.395   4.353   1.592
  214    H    GLU  25           H        GLU  25   3.300   2.315   3.835
  215    HA   GLU  25           HA       GLU  25   5.591   3.929   3.661
  216   1HB   GLU  25          1HB       GLU  25   3.351   4.169   5.047
  217   2HB   GLU  25          2HB       GLU  25   4.308   3.406   6.309
  218   1HG   GLU  25          1HG       GLU  25   5.867   5.181   6.332
  219   2HG   GLU  25          2HG       GLU  25   5.217   5.862   4.841
  220    H    ARG  26           H        ARG  26   4.914   0.985   5.500
  221    HA   ARG  26           HA       ARG  26   7.226   0.883   7.048
  222   1HB   ARG  26          1HB       ARG  26   5.087  -0.691   6.887
  223   2HB   ARG  26          2HB       ARG  26   6.165  -1.650   5.882
  224   1HG   ARG  26          1HG       ARG  26   7.821  -1.531   7.799
  225   2HG   ARG  26          2HG       ARG  26   6.485  -0.910   8.771
  226   1HD   ARG  26          1HD       ARG  26   5.606  -2.944   9.012
  227   2HD   ARG  26          2HD       ARG  26   5.716  -3.268   7.281
  228    HE   ARG  26           HE       ARG  26   8.278  -3.506   8.333
  229   1HH1  ARG  26          1HH1      ARG  26   5.183  -5.071   8.642
  230   2HH1  ARG  26          2HH1      ARG  26   5.858  -6.619   9.026
  231   1HH2  ARG  26          1HH2      ARG  26   9.179  -5.540   8.839
  232   2HH2  ARG  26          2HH2      ARG  26   8.130  -6.885   9.139
  233    H    HIS  27           H        HIS  27   6.626  -0.269   3.747
  234    HA   HIS  27           HA       HIS  27   9.196  -1.393   3.363
  235   1HB   HIS  27          1HB       HIS  27   6.814  -1.146   1.865
  236   2HB   HIS  27          2HB       HIS  27   8.079  -0.392   0.902
  237    HD1  HIS  27           HD1      HIS  27   9.983  -1.923   0.035
  238    HD2  HIS  27           HD2      HIS  27   7.017  -3.917   2.156
  239    HE1  HIS  27           HE1      HIS  27  10.357  -4.368  -0.423
  240    HE2  HIS  27           HE2      HIS  27   8.552  -5.557   0.871
  241    H    LYS  28           H        LYS  28   7.872   1.810   3.123
  242    HA   LYS  28           HA       LYS  28   9.956   2.999   1.623
  243   1HB   LYS  28          1HB       LYS  28   7.652   3.954   2.005
  244   2HB   LYS  28          2HB       LYS  28   8.171   4.372   3.633
  245   1HG   LYS  28          1HG       LYS  28  10.031   5.318   1.622
  246   2HG   LYS  28          2HG       LYS  28   8.400   5.944   1.376
  247   1HD   LYS  28          1HD       LYS  28   9.854   6.041   4.014
  248   2HD   LYS  28          2HD       LYS  28   9.863   7.359   2.840
  249   1HE   LYS  28          1HE       LYS  28   7.594   7.790   3.124
  250   2HE   LYS  28          2HE       LYS  28   7.280   6.200   3.817
  251   1HZ   LYS  28          1HZ       LYS  28   9.106   7.932   5.285
  252   2HZ   LYS  28          2HZ       LYS  28   7.477   8.386   5.281
  253   3HZ   LYS  28          3HZ       LYS  28   7.930   6.862   5.862
  254    H    GLN  29           H        GLN  29   9.606   2.130   4.953
  255    HA   GLN  29           HA       GLN  29  11.710   3.839   5.913
  256   1HB   GLN  29          1HB       GLN  29   9.794   3.045   7.323
  257   2HB   GLN  29          2HB       GLN  29  10.485   1.429   7.266
  258   1HG   GLN  29          1HG       GLN  29  12.441   2.158   8.438
  259   2HG   GLN  29          2HG       GLN  29  11.917   3.840   8.356
  260   2HE2  GLN  29          2HE2      GLN  29  10.240   4.539   9.683
  261   1HE2  GLN  29          1HE2      GLN  29   9.722   3.635  11.062
  262    H    SER  30           H        SER  30  11.376   0.463   4.948
  263    HA   SER  30           HA       SER  30  14.008  -0.295   5.755
  264   1HB   SER  30          1HB       SER  30  13.459  -2.237   4.056
  265   2HB   SER  30          2HB       SER  30  12.620  -2.138   5.605
  266    HG   SER  30           HG       SER  30  10.858  -2.016   4.489
  267    H    ILE  31           H        ILE  31  12.627   1.030   2.832
  268    HA   ILE  31           HA       ILE  31  14.986   0.525   1.239
  269    HB   ILE  31           HB       ILE  31  12.881   0.499   0.093
  270   1HG1  ILE  31          1HG1      ILE  31  13.191   2.430  -1.559
  271   2HG1  ILE  31          2HG1      ILE  31  14.570   2.911  -0.574
  272   1HG2  ILE  31          1HG2      ILE  31  12.256   2.642   1.818
  273   2HG2  ILE  31          2HG2      ILE  31  11.195   1.801   0.690
  274   3HG2  ILE  31          3HG2      ILE  31  12.081   3.232   0.167
  275   1HD1  ILE  31          1HD1      ILE  31  15.470   0.585  -0.942
  276   2HD1  ILE  31          2HD1      ILE  31  14.200   0.392  -2.148
  277   3HD1  ILE  31          3HD1      ILE  31  15.425   1.640  -2.352
  278    H    LYS  32           H        LYS  32  13.677   3.094   3.188
  279    HA   LYS  32           HA       LYS  32  15.482   5.100   2.167
  280   1HB   LYS  32          1HB       LYS  32  13.431   5.011   4.355
  281   2HB   LYS  32          2HB       LYS  32  14.586   6.336   4.284
  282   1HG   LYS  32          1HG       LYS  32  13.485   5.983   1.691
  283   2HG   LYS  32          2HG       LYS  32  12.163   6.029   2.859
  284   1HD   LYS  32          1HD       LYS  32  12.466   8.210   3.277
  285   2HD   LYS  32          2HD       LYS  32  14.220   8.038   3.358
  286   1HE   LYS  32          1HE       LYS  32  14.170   7.878   0.824
  287   2HE   LYS  32          2HE       LYS  32  12.496   8.423   0.925
  288   1HZ   LYS  32          1HZ       LYS  32  14.129  10.110   2.482
  289   2HZ   LYS  32          2HZ       LYS  32  14.795   9.983   0.933
  290   3HZ   LYS  32          3HZ       LYS  32  13.196  10.499   1.125
  291    H    LYS  33           H        LYS  33  15.441   2.746   4.708
  292    HA   LYS  33           HA       LYS  33  17.613   3.954   6.181
  293   1HB   LYS  33          1HB       LYS  33  15.649   2.326   6.973
  294   2HB   LYS  33          2HB       LYS  33  16.859   1.106   6.599
  295   1HG   LYS  33          1HG       LYS  33  18.211   1.715   8.320
  296   2HG   LYS  33          2HG       LYS  33  17.706   3.405   8.265
  297   1HD   LYS  33          1HD       LYS  33  16.675   2.752  10.200
  298   2HD   LYS  33          2HD       LYS  33  15.400   2.374   9.040
  299   1HE   LYS  33          1HE       LYS  33  16.231   0.044   8.952
  300   2HE   LYS  33          2HE       LYS  33  17.414   0.448  10.195
  301   1HZ   LYS  33          1HZ       LYS  33  15.514   1.074  11.640
  302   2HZ   LYS  33          2HZ       LYS  33  14.460   0.466  10.466
  303   3HZ   LYS  33          3HZ       LYS  33  15.552  -0.569  11.239
  304    H    LEU  34           H        LEU  34  17.152   1.347   3.866
  305    HA   LEU  34           HA       LEU  34  19.868   0.426   4.037
  306   1HB   LEU  34          1HB       LEU  34  17.482  -0.577   3.010
  307   2HB   LEU  34          2HB       LEU  34  18.473  -0.290   1.593
  308    HG   LEU  34           HG       LEU  34  19.466  -1.872   3.956
  309   1HD1  LEU  34          1HD1      LEU  34  17.368  -2.833   2.932
  310   2HD1  LEU  34          2HD1      LEU  34  18.292  -3.035   1.444
  311   3HD1  LEU  34          3HD1      LEU  34  18.788  -3.879   2.911
  312   1HD2  LEU  34          1HD2      LEU  34  20.908  -0.809   2.000
  313   2HD2  LEU  34          2HD2      LEU  34  21.271  -2.398   2.674
  314   3HD2  LEU  34          3HD2      LEU  34  20.377  -2.266   1.160
  315    H    LYS  35           H        LYS  35  18.099   2.758   2.167
  316    HA   LYS  35           HA       LYS  35  20.146   3.036   0.149
  317   1HB   LYS  35          1HB       LYS  35  17.840   3.443  -0.477
  318   2HB   LYS  35          2HB       LYS  35  17.684   4.679   0.763
  319   1HG   LYS  35          1HG       LYS  35  19.846   5.120  -1.176
  320   2HG   LYS  35          2HG       LYS  35  18.209   5.182  -1.834
  321   1HD   LYS  35          1HD       LYS  35  19.209   6.765   0.533
  322   2HD   LYS  35          2HD       LYS  35  18.993   7.393  -1.102
  323   1HE   LYS  35          1HE       LYS  35  16.563   6.196  -0.484
  324   2HE   LYS  35          2HE       LYS  35  17.046   7.005   1.005
  325   1HZ   LYS  35          1HZ       LYS  35  17.271   8.485  -1.512
  326   2HZ   LYS  35          2HZ       LYS  35  15.728   8.264  -0.855
  327   3HZ   LYS  35          3HZ       LYS  35  16.927   9.051   0.044
  328    H    GLN  36           H        GLN  36  19.201   4.618   3.127
  329    HA   GLN  36           HA       GLN  36  20.964   6.861   2.768
  330   1HB   GLN  36          1HB       GLN  36  18.870   6.953   4.128
  331   2HB   GLN  36          2HB       GLN  36  19.631   5.888   5.302
  332   1HG   GLN  36          1HG       GLN  36  20.942   8.458   4.530
  333   2HG   GLN  36          2HG       GLN  36  19.624   8.442   5.701
  334   2HE2  GLN  36          2HE2      GLN  36  22.866   8.422   5.415
  335   1HE2  GLN  36          1HE2      GLN  36  23.298   7.652   6.900
  336    H    SER  37           H        SER  37  21.164   3.681   4.148
  337    HA   SER  37           HA       SER  37  23.540   4.187   5.680
  338   1HB   SER  37          1HB       SER  37  21.828   2.373   6.167
  339   2HB   SER  37          2HB       SER  37  22.501   1.492   4.795
  340    HG   SER  37           HG       SER  37  24.120   0.923   6.000
  341    H    GLU  38           H        GLU  38  22.805   3.272   2.423
  342    HA   GLU  38           HA       GLU  38  25.367   2.164   1.801
  343   1HB   GLU  38          1HB       GLU  38  23.015   1.972   0.582
  344   2HB   GLU  38          2HB       GLU  38  23.636   3.347  -0.320
  345   1HG   GLU  38          1HG       GLU  38  25.723   1.891  -0.688
  346   2HG   GLU  38          2HG       GLU  38  24.690   0.552  -0.190
  347    H    ASP  39           H        ASP  39  23.985   5.357   1.826
  348    HA   ASP  39           HA       ASP  39  25.987   6.582   0.196
  349   1HB   ASP  39          1HB       ASP  39  23.767   7.588   0.452
  350   2HB   ASP  39          2HB       ASP  39  24.053   7.809   2.175
  351    H    ASP  40           H        ASP  40  25.721   5.740   3.542
  352    HA   ASP  40           HA       ASP  40  28.454   6.219   4.049
  353   1HB   ASP  40          1HB       ASP  40  26.976   8.548   4.196
  354   2HB   ASP  40          2HB       ASP  40  27.040   8.016   5.874
  355    H    ASP  41           H        ASP  41  29.070   5.681   6.252
  356    HA   ASP  41           HA       ASP  41  27.833   3.434   7.256
  357   1HB   ASP  41          1HB       ASP  41  29.904   5.287   8.179
  358   2HB   ASP  41          2HB       ASP  41  29.034   4.502   9.495
  359    H1   ALA   1           H1       ALA   1  36.176  -6.934  -2.795
  360    H2   ALA   1           H2       ALA   1  36.351  -8.590  -3.202
  361    H3   ALA   1           H3       ALA   1  35.294  -7.590  -4.112
  362    HA   ALA   1           HA       ALA   1  33.998  -8.904  -2.714
  363   1HB   ALA   1          1HB       ALA   1  35.659  -7.862  -0.424
  364   2HB   ALA   1          2HB       ALA   1  34.313  -8.996  -0.323
  365   3HB   ALA   1          3HB       ALA   1  35.806  -9.471  -1.132
  366    H    LEU   2           H        LEU   2  33.650  -6.504  -3.966
  367    HA   LEU   2           HA       LEU   2  32.939  -4.353  -2.296
  368   1HB   LEU   2          1HB       LEU   2  31.815  -5.039  -5.012
  369   2HB   LEU   2          2HB       LEU   2  31.748  -3.472  -4.230
  370    HG   LEU   2           HG       LEU   2  34.460  -4.058  -4.288
  371   1HD1  LEU   2          1HD1      LEU   2  33.428  -5.838  -6.041
  372   2HD1  LEU   2          2HD1      LEU   2  33.701  -4.453  -7.098
  373   3HD1  LEU   2          3HD1      LEU   2  35.039  -5.134  -6.173
  374   1HD2  LEU   2          1HD2      LEU   2  32.708  -2.382  -6.072
  375   2HD2  LEU   2          2HD2      LEU   2  33.618  -1.869  -4.650
  376   3HD2  LEU   2          3HD2      LEU   2  34.470  -2.335  -6.122
  377    H    LYS   3           H        LYS   3  30.457  -3.539  -2.705
  378    HA   LYS   3           HA       LYS   3  28.754  -5.708  -1.665
  379   1HB   LYS   3          1HB       LYS   3  29.042  -2.855  -0.789
  380   2HB   LYS   3          2HB       LYS   3  27.522  -3.701  -0.536
  381   1HG   LYS   3          1HG       LYS   3  28.590  -4.073   1.457
  382   2HG   LYS   3          2HG       LYS   3  29.034  -5.522   0.552
  383   1HD   LYS   3          1HD       LYS   3  31.207  -4.778   0.187
  384   2HD   LYS   3          2HD       LYS   3  30.783  -3.091   0.485
  385   1HE   LYS   3          1HE       LYS   3  31.412  -3.313   2.602
  386   2HE   LYS   3          2HE       LYS   3  30.183  -4.555   2.833
  387   1HZ   LYS   3          1HZ       LYS   3  32.933  -5.043   1.823
  388   2HZ   LYS   3          2HZ       LYS   3  32.409  -5.339   3.404
  389   3HZ   LYS   3          3HZ       LYS   3  31.756  -6.222   2.117
  390    H    LYS   4           H        LYS   4  28.341  -5.932  -4.047
  391    HA   LYS   4           HA       LYS   4  26.700  -3.876  -5.257
  392   1HB   LYS   4          1HB       LYS   4  28.288  -6.031  -6.196
  393   2HB   LYS   4          2HB       LYS   4  26.639  -6.332  -6.728
  394   1HG   LYS   4          1HG       LYS   4  27.494  -5.105  -8.474
  395   2HG   LYS   4          2HG       LYS   4  26.708  -3.858  -7.504
  396   1HD   LYS   4          1HD       LYS   4  28.751  -3.080  -6.650
  397   2HD   LYS   4          2HD       LYS   4  29.610  -4.540  -7.144
  398   1HE   LYS   4          1HE       LYS   4  28.606  -3.571  -9.516
  399   2HE   LYS   4          2HE       LYS   4  29.037  -2.103  -8.640
  400   1HZ   LYS   4          1HZ       LYS   4  31.143  -3.838  -8.270
  401   2HZ   LYS   4          2HZ       LYS   4  30.732  -3.997  -9.902
  402   3HZ   LYS   4          3HZ       LYS   4  31.114  -2.475  -9.271
  403    H    HIS   5           H        HIS   5  26.292  -7.109  -3.905
  404    HA   HIS   5           HA       HIS   5  23.701  -7.674  -4.648
  405   1HB   HIS   5          1HB       HIS   5  23.560  -9.035  -2.586
  406   2HB   HIS   5          2HB       HIS   5  25.080  -9.276  -3.443
  407    HD1  HIS   5           HD1      HIS   5  27.201  -8.810  -2.176
  408    HD2  HIS   5           HD2      HIS   5  23.815  -7.445  -0.190
  409    HE1  HIS   5           HE1      HIS   5  27.996  -8.106   0.104
  410    HE2  HIS   5           HE2      HIS   5  25.930  -7.283   1.289
  411    H    HIS   6           H        HIS   6  24.849  -5.438  -2.216
  412    HA   HIS   6           HA       HIS   6  22.417  -5.027  -0.854
  413   1HB   HIS   6          1HB       HIS   6  25.054  -3.947  -0.794
  414   2HB   HIS   6          2HB       HIS   6  23.920  -2.602  -0.885
  415    HD1  HIS   6           HD1      HIS   6  23.287  -5.826   0.983
  416    HD2  HIS   6           HD2      HIS   6  24.046  -1.811   1.742
  417    HE1  HIS   6           HE1      HIS   6  22.944  -5.532   3.457
  418    HE2  HIS   6           HE2      HIS   6  23.408  -3.095   3.894
  419    H    GLU   7           H        GLU   7  23.959  -3.063  -3.405
  420    HA   GLU   7           HA       GLU   7  21.963  -1.192  -3.756
  421   1HB   GLU   7          1HB       GLU   7  24.319  -1.524  -4.909
  422   2HB   GLU   7          2HB       GLU   7  23.349  -2.267  -6.174
  423   1HG   GLU   7          1HG       GLU   7  22.117  -0.257  -6.513
  424   2HG   GLU   7          2HG       GLU   7  22.847   0.492  -5.094
  425    H    ASN   8           H        ASN   8  21.984  -4.532  -4.641
  426    HA   ASN   8           HA       ASN   8  19.915  -4.400  -6.601
  427   1HB   ASN   8          1HB       ASN   8  21.410  -6.519  -5.189
  428   2HB   ASN   8          2HB       ASN   8  19.776  -6.959  -5.677
  429   2HD2  ASN   8          2HD2      ASN   8  20.455  -8.414  -7.214
  430   1HD2  ASN   8          1HD2      ASN   8  21.204  -7.932  -8.695
  431    H    GLU   9           H        GLU   9  19.916  -5.629  -3.249
  432    HA   GLU   9           HA       GLU   9  17.159  -5.948  -3.005
  433   1HB   GLU   9          1HB       GLU   9  19.418  -5.603  -1.101
  434   2HB   GLU   9          2HB       GLU   9  17.795  -5.369  -0.470
  435   1HG   GLU   9          1HG       GLU   9  18.642  -7.661  -0.166
  436   2HG   GLU   9          2HG       GLU   9  17.159  -7.587  -1.116
  437    H    ILE  10           H        ILE  10  19.076  -3.090  -3.077
  438    HA   ILE  10           HA       ILE  10  17.282  -1.381  -1.692
  439    HB   ILE  10           HB       ILE  10  19.879  -1.183  -2.729
  440   1HG1  ILE  10          1HG1      ILE  10  19.051   1.352  -1.745
  441   2HG1  ILE  10          2HG1      ILE  10  18.191   0.107  -0.843
  442   1HG2  ILE  10          1HG2      ILE  10  18.149   0.922  -4.018
  443   2HG2  ILE  10          2HG2      ILE  10  19.910   0.970  -3.918
  444   3HG2  ILE  10          3HG2      ILE  10  19.113  -0.304  -4.843
  445   1HD1  ILE  10          1HD1      ILE  10  20.869  -0.735  -1.055
  446   2HD1  ILE  10          2HD1      ILE  10  20.890   0.966  -0.589
  447   3HD1  ILE  10          3HD1      ILE  10  19.999  -0.203   0.384
  448    H    SER  11           H        SER  11  17.956  -1.837  -5.168
  449    HA   SER  11           HA       SER  11  15.942  -0.113  -6.092
  450   1HB   SER  11          1HB       SER  11  17.947  -1.415  -7.308
  451   2HB   SER  11          2HB       SER  11  16.622  -2.494  -7.739
  452    HG   SER  11           HG       SER  11  17.017  -0.733  -9.239
  453    H    HIS  12           H        HIS  12  15.811  -3.343  -4.868
  454    HA   HIS  12           HA       HIS  12  13.287  -4.000  -6.044
  455   1HB   HIS  12          1HB       HIS  12  14.113  -6.020  -5.518
  456   2HB   HIS  12          2HB       HIS  12  15.304  -5.322  -4.438
  457    HD1  HIS  12           HD1      HIS  12  11.738  -6.596  -4.409
  458    HD2  HIS  12           HD2      HIS  12  14.843  -5.754  -1.782
  459    HE1  HIS  12           HE1      HIS  12  10.983  -7.472  -2.176
  460    HE2  HIS  12           HE2      HIS  12  12.879  -6.953  -0.599
  461    H    HIS  13           H        HIS  13  14.328  -2.914  -2.810
  462    HA   HIS  13           HA       HIS  13  11.762  -2.926  -1.651
  463   1HB   HIS  13          1HB       HIS  13  14.090  -1.120  -0.971
  464   2HB   HIS  13          2HB       HIS  13  12.692  -1.433   0.048
  465    HD1  HIS  13           HD1      HIS  13  12.769  -4.602  -0.544
  466    HD2  HIS  13           HD2      HIS  13  15.865  -2.203   0.829
  467    HE1  HIS  13           HE1      HIS  13  14.338  -6.159   0.658
  468    HE2  HIS  13           HE2      HIS  13  16.211  -4.686   1.481
  469    H    ALA  14           H        ALA  14  13.367  -0.697  -3.778
  470    HA   ALA  14           HA       ALA  14  11.709   1.558  -3.288
  471   1HB   ALA  14          1HB       ALA  14  13.601   0.769  -5.466
  472   2HB   ALA  14          2HB       ALA  14  13.686   2.126  -4.344
  473   3HB   ALA  14          3HB       ALA  14  12.542   2.162  -5.685
  474    H    LYS  15           H        LYS  15  11.745  -0.823  -5.949
  475    HA   LYS  15           HA       LYS  15   9.348   0.069  -7.133
  476   1HB   LYS  15          1HB       LYS  15  11.264  -1.961  -7.610
  477   2HB   LYS  15          2HB       LYS  15   9.697  -2.754  -7.529
  478   1HG   LYS  15          1HG       LYS  15   8.931  -1.748  -9.416
  479   2HG   LYS  15          2HG       LYS  15   9.897  -0.292  -9.165
  480   1HD   LYS  15          1HD       LYS  15  11.922  -1.796  -9.657
  481   2HD   LYS  15          2HD       LYS  15  10.742  -2.939 -10.301
  482   1HE   LYS  15          1HE       LYS  15   9.893  -0.884 -11.652
  483   2HE   LYS  15          2HE       LYS  15  11.485  -0.216 -11.292
  484   1HZ   LYS  15          1HZ       LYS  15  11.490  -2.931 -12.299
  485   2HZ   LYS  15          2HZ       LYS  15  10.950  -1.767 -13.402
  486   3HZ   LYS  15          3HZ       LYS  15  12.484  -1.623 -12.703
  487    H    GLU  16           H        GLU  16   9.963  -1.737  -4.286
  488    HA   GLU  16           HA       GLU  16   7.430  -3.085  -4.196
  489   1HB   GLU  16          1HB       GLU  16   9.713  -2.745  -2.276
  490   2HB   GLU  16          2HB       GLU  16   8.185  -3.427  -1.736
  491   1HG   GLU  16          1HG       GLU  16   9.682  -4.529  -4.089
  492   2HG   GLU  16          2HG       GLU  16  10.004  -5.050  -2.436
  493    H    ILE  17           H        ILE  17   8.819  -0.125  -2.817
  494    HA   ILE  17           HA       ILE  17   6.546   0.395  -1.153
  495    HB   ILE  17           HB       ILE  17   7.587   2.374  -0.506
  496   1HG1  ILE  17          1HG1      ILE  17   9.695   3.077  -2.073
  497   2HG1  ILE  17          2HG1      ILE  17   8.595   2.441  -3.292
  498   1HG2  ILE  17          1HG2      ILE  17   9.115   0.044  -0.717
  499   2HG2  ILE  17          2HG2      ILE  17  10.197   1.377  -1.119
  500   3HG2  ILE  17          3HG2      ILE  17   9.326   1.381   0.409
  501   1HD1  ILE  17          1HD1      ILE  17   6.852   3.985  -2.421
  502   2HD1  ILE  17          2HD1      ILE  17   8.079   4.691  -1.368
  503   3HD1  ILE  17          3HD1      ILE  17   8.257   4.790  -3.121
  504    H    GLU  18           H        GLU  18   7.497   1.288  -4.409
  505    HA   GLU  18           HA       GLU  18   5.393   3.208  -4.753
  506   1HB   GLU  18          1HB       GLU  18   7.723   2.771  -6.053
  507   2HB   GLU  18          2HB       GLU  18   6.610   1.950  -7.140
  508   1HG   GLU  18          1HG       GLU  18   5.669   3.867  -7.845
  509   2HG   GLU  18          2HG       GLU  18   5.781   4.632  -6.259
  510    H    ARG  19           H        ARG  19   5.870  -0.200  -5.462
  511    HA   ARG  19           HA       ARG  19   3.495  -0.490  -7.021
  512   1HB   ARG  19          1HB       ARG  19   5.470  -2.026  -7.138
  513   2HB   ARG  19          2HB       ARG  19   5.032  -2.636  -5.548
  514   1HG   ARG  19          1HG       ARG  19   3.034  -3.594  -6.354
  515   2HG   ARG  19          2HG       ARG  19   3.148  -2.720  -7.883
  516   1HD   ARG  19          1HD       ARG  19   5.199  -4.732  -6.990
  517   2HD   ARG  19          2HD       ARG  19   3.781  -5.170  -7.942
  518    HE   ARG  19           HE       ARG  19   5.241  -3.037  -9.141
  519   1HH1  ARG  19          1HH1      ARG  19   5.201  -6.490  -8.692
  520   2HH1  ARG  19          2HH1      ARG  19   6.087  -6.819 -10.143
  521   1HH2  ARG  19          1HH2      ARG  19   6.408  -3.459 -11.055
  522   2HH2  ARG  19          2HH2      ARG  19   6.774  -5.096 -11.486
  523    H    LEU  20           H        LEU  20   4.286  -0.734  -3.620
  524    HA   LEU  20           HA       LEU  20   1.865  -2.005  -2.827
  525   1HB   LEU  20          1HB       LEU  20   3.918  -0.402  -1.308
  526   2HB   LEU  20          2HB       LEU  20   2.523  -1.133  -0.542
  527    HG   LEU  20           HG       LEU  20   4.362  -2.852  -2.154
  528   1HD1  LEU  20          1HD1      LEU  20   5.390  -1.268  -0.175
  529   2HD1  LEU  20          2HD1      LEU  20   4.973  -2.743   0.698
  530   3HD1  LEU  20          3HD1      LEU  20   6.052  -2.819  -0.694
  531   1HD2  LEU  20          1HD2      LEU  20   2.170  -3.177  -0.277
  532   2HD2  LEU  20          2HD2      LEU  20   2.849  -4.321  -1.434
  533   3HD2  LEU  20          3HD2      LEU  20   3.582  -4.138   0.159
  534    H    GLN  21           H        GLN  21   2.956   1.345  -3.054
  535    HA   GLN  21           HA       GLN  21   0.718   2.548  -1.847
  536   1HB   GLN  21          1HB       GLN  21   3.090   3.466  -2.783
  537   2HB   GLN  21          2HB       GLN  21   2.016   4.016  -4.061
  538   1HG   GLN  21          1HG       GLN  21   1.283   4.545  -1.225
  539   2HG   GLN  21          2HG       GLN  21   2.530   5.526  -1.993
  540   2HE2  GLN  21          2HE2      GLN  21  -0.825   4.522  -2.166
  541   1HE2  GLN  21          1HE2      GLN  21  -1.379   5.870  -3.093
  542    H    LYS  22           H        LYS  22   1.409   1.682  -5.209
  543    HA   LYS  22           HA       LYS  22  -0.902   2.832  -6.339
  544   1HB   LYS  22          1HB       LYS  22   0.924   0.606  -7.221
  545   2HB   LYS  22          2HB       LYS  22  -0.472   1.086  -8.175
  546   1HG   LYS  22          1HG       LYS  22   0.412   3.310  -8.438
  547   2HG   LYS  22          2HG       LYS  22   1.761   2.934  -7.364
  548   1HD   LYS  22          1HD       LYS  22   1.476   1.064  -9.593
  549   2HD   LYS  22          2HD       LYS  22   1.797   2.725 -10.097
  550   1HE   LYS  22          1HE       LYS  22   3.575   2.454  -8.074
  551   2HE   LYS  22          2HE       LYS  22   3.521   0.802  -8.687
  552   1HZ   LYS  22          1HZ       LYS  22   4.058   3.215 -10.334
  553   2HZ   LYS  22          2HZ       LYS  22   5.236   2.141  -9.771
  554   3HZ   LYS  22          3HZ       LYS  22   4.071   1.612 -10.878
  555    H    GLU  23           H        GLU  23  -0.276  -0.297  -4.869
  556    HA   GLU  23           HA       GLU  23  -2.690  -1.546  -5.645
  557   1HB   GLU  23          1HB       GLU  23  -0.393  -2.255  -4.190
  558   2HB   GLU  23          2HB       GLU  23  -1.741  -2.489  -3.087
  559   1HG   GLU  23          1HG       GLU  23  -2.815  -3.986  -4.608
  560   2HG   GLU  23          2HG       GLU  23  -1.631  -3.633  -5.866
  561    H    ILE  24           H        ILE  24  -1.789   0.398  -2.835
  562    HA   ILE  24           HA       ILE  24  -4.150  -0.036  -1.360
  563    HB   ILE  24           HB       ILE  24  -3.413   1.503   0.153
  564   1HG1  ILE  24          1HG1      ILE  24  -1.887   3.503  -0.629
  565   2HG1  ILE  24          2HG1      ILE  24  -2.625   3.187  -2.196
  566   1HG2  ILE  24          1HG2      ILE  24  -1.502  -0.055  -0.704
  567   2HG2  ILE  24          2HG2      ILE  24  -0.776   1.464  -1.222
  568   3HG2  ILE  24          3HG2      ILE  24  -1.170   1.212   0.477
  569   1HD1  ILE  24          1HD1      ILE  24  -4.687   3.234  -0.255
  570   2HD1  ILE  24          2HD1      ILE  24  -3.665   4.653  -0.013
  571   3HD1  ILE  24          3HD1      ILE  24  -4.398   4.353  -1.590
  572    H    GLU  25           H        GLU  25  -3.299   2.320  -3.835
  573    HA   GLU  25           HA       GLU  25  -5.590   3.936  -3.660
  574   1HB   GLU  25          1HB       GLU  25  -3.348   4.179  -5.042
  575   2HB   GLU  25          2HB       GLU  25  -4.302   3.416  -6.307
  576   1HG   GLU  25          1HG       GLU  25  -5.862   5.189  -6.332
  577   2HG   GLU  25          2HG       GLU  25  -5.215   5.871  -4.840
  578    H    ARG  26           H        ARG  26  -4.914   0.993  -5.500
  579    HA   ARG  26           HA       ARG  26  -7.224   0.897  -7.051
  580   1HB   ARG  26          1HB       ARG  26  -5.087  -0.677  -6.897
  581   2HB   ARG  26          2HB       ARG  26  -6.161  -1.638  -5.889
  582   1HG   ARG  26          1HG       ARG  26  -7.823  -1.518  -7.803
  583   2HG   ARG  26          2HG       ARG  26  -6.490  -0.896  -8.778
  584   1HD   ARG  26          1HD       ARG  26  -5.608  -2.928  -9.021
  585   2HD   ARG  26          2HD       ARG  26  -5.717  -3.255  -7.292
  586    HE   ARG  26           HE       ARG  26  -8.279  -3.494  -8.342
  587   1HH1  ARG  26          1HH1      ARG  26  -5.182  -5.056  -8.650
  588   2HH1  ARG  26          2HH1      ARG  26  -5.856  -6.604  -9.035
  589   1HH2  ARG  26          1HH2      ARG  26  -9.177  -5.528  -8.849
  590   2HH2  ARG  26          2HH2      ARG  26  -8.129  -6.873  -9.149
  591    H    HIS  27           H        HIS  27  -6.623  -0.257  -3.754
  592    HA   HIS  27           HA       HIS  27  -9.192  -1.382  -3.368
  593   1HB   HIS  27          1HB       HIS  27  -6.804  -1.152  -1.884
  594   2HB   HIS  27          2HB       HIS  27  -8.057  -0.390  -0.910
  595    HD1  HIS  27           HD1      HIS  27  -9.970  -1.914  -0.038
  596    HD2  HIS  27           HD2      HIS  27  -7.020  -3.916  -2.172
  597    HE1  HIS  27           HE1      HIS  27 -10.353  -4.358   0.416
  598    HE2  HIS  27           HE2      HIS  27  -8.557  -5.551  -0.885
  599    H    LYS  28           H        LYS  28  -7.872   1.821  -3.133
  600    HA   LYS  28           HA       LYS  28  -9.957   3.000  -1.620
  601   1HB   LYS  28          1HB       LYS  28  -7.656   3.963  -1.987
  602   2HB   LYS  28          2HB       LYS  28  -8.163   4.379  -3.619
  603   1HG   LYS  28          1HG       LYS  28 -10.036   5.324  -1.618
  604   2HG   LYS  28          2HG       LYS  28  -8.407   5.955  -1.369
  605   1HD   LYS  28          1HD       LYS  28  -9.854   6.043  -4.012
  606   2HD   LYS  28          2HD       LYS  28  -9.867   7.363  -2.841
  607   1HE   LYS  28          1HE       LYS  28  -7.595   7.794  -3.118
  608   2HE   LYS  28          2HE       LYS  28  -7.283   6.204  -3.814
  609   1HZ   LYS  28          1HZ       LYS  28  -9.106   7.938  -5.280
  610   2HZ   LYS  28          2HZ       LYS  28  -7.477   8.392  -5.275
  611   3HZ   LYS  28          3HZ       LYS  28  -7.930   6.870  -5.858
  612    H    GLN  29           H        GLN  29  -9.603   2.142  -4.951
  613    HA   GLN  29           HA       GLN  29 -11.705   3.854  -5.910
  614   1HB   GLN  29          1HB       GLN  29  -9.790   3.070  -7.322
  615   2HB   GLN  29          2HB       GLN  29 -10.473   1.451  -7.265
  616   1HG   GLN  29          1HG       GLN  29 -12.436   2.172  -8.435
  617   2HG   GLN  29          2HG       GLN  29 -11.914   3.854  -8.357
  618   2HE2  GLN  29          2HE2      GLN  29 -10.235   4.553  -9.684
  619   1HE2  GLN  29          1HE2      GLN  29  -9.719   3.649 -11.062
  620    H    SER  30           H        SER  30 -11.370   0.476  -4.958
  621    HA   SER  30           HA       SER  30 -14.000  -0.283  -5.770
  622   1HB   SER  30          1HB       SER  30 -13.453  -2.228  -4.070
  623   2HB   SER  30          2HB       SER  30 -12.613  -2.127  -5.618
  624    HG   SER  30           HG       SER  30 -10.853  -2.010  -4.497
  625    H    ILE  31           H        ILE  31 -12.623   1.028  -2.837
  626    HA   ILE  31           HA       ILE  31 -14.985   0.525  -1.251
  627    HB   ILE  31           HB       ILE  31 -12.878   0.504  -0.105
  628   1HG1  ILE  31          1HG1      ILE  31 -13.203   2.421   1.556
  629   2HG1  ILE  31          2HG1      ILE  31 -14.577   2.909   0.567
  630   1HG2  ILE  31          1HG2      ILE  31 -12.262   2.647  -1.827
  631   2HG2  ILE  31          2HG2      ILE  31 -12.101   3.246  -0.177
  632   3HG2  ILE  31          3HG2      ILE  31 -11.201   1.822  -0.691
  633   1HD1  ILE  31          1HD1      ILE  31 -15.274   0.400   0.913
  634   2HD1  ILE  31          2HD1      ILE  31 -14.234   0.554   2.327
  635   3HD1  ILE  31          3HD1      ILE  31 -15.617   1.628   2.130
  636    H    LYS  32           H        LYS  32 -13.675   3.101  -3.192
  637    HA   LYS  32           HA       LYS  32 -15.482   5.103  -2.171
  638   1HB   LYS  32          1HB       LYS  32 -13.432   5.018  -4.359
  639   2HB   LYS  32          2HB       LYS  32 -14.588   6.342  -4.287
  640   1HG   LYS  32          1HG       LYS  32 -13.487   5.987  -1.694
  641   2HG   LYS  32          2HG       LYS  32 -12.165   6.035  -2.862
  642   1HD   LYS  32          1HD       LYS  32 -12.469   8.216  -3.279
  643   2HD   LYS  32          2HD       LYS  32 -14.224   8.043  -3.359
  644   1HE   LYS  32          1HE       LYS  32 -14.172   7.882  -0.824
  645   2HE   LYS  32          2HE       LYS  32 -12.498   8.426  -0.927
  646   1HZ   LYS  32          1HZ       LYS  32 -14.130  10.115  -2.481
  647   2HZ   LYS  32          2HZ       LYS  32 -14.796   9.987  -0.931
  648   3HZ   LYS  32          3HZ       LYS  32 -13.197  10.502  -1.124
  649    H    LYS  33           H        LYS  33 -15.442   2.752  -4.714
  650    HA   LYS  33           HA       LYS  33 -17.614   3.961  -6.185
  651   1HB   LYS  33          1HB       LYS  33 -15.651   2.331  -6.979
  652   2HB   LYS  33          2HB       LYS  33 -16.863   1.113  -6.607
  653   1HG   LYS  33          1HG       LYS  33 -18.212   1.727  -8.329
  654   2HG   LYS  33          2HG       LYS  33 -17.705   3.415  -8.271
  655   1HD   LYS  33          1HD       LYS  33 -16.673   2.766 -10.205
  656   2HD   LYS  33          2HD       LYS  33 -15.399   2.386  -9.044
  657   1HE   LYS  33          1HE       LYS  33 -16.229   0.057  -8.960
  658   2HE   LYS  33          2HE       LYS  33 -17.412   0.461 -10.203
  659   1HZ   LYS  33          1HZ       LYS  33 -15.511   1.090 -11.646
  660   2HZ   LYS  33          2HZ       LYS  33 -14.457   0.480 -10.473
  661   3HZ   LYS  33          3HZ       LYS  33 -15.548  -0.554 -11.247
  662    H    LEU  34           H        LEU  34 -17.156   1.355  -3.871
  663    HA   LEU  34           HA       LEU  34 -19.872   0.433  -4.044
  664   1HB   LEU  34          1HB       LEU  34 -17.485  -0.571  -3.017
  665   2HB   LEU  34          2HB       LEU  34 -18.478  -0.285  -1.601
  666    HG   LEU  34           HG       LEU  34 -19.473  -1.862  -3.964
  667   1HD1  LEU  34          1HD1      LEU  34 -17.371  -2.824  -2.950
  668   2HD1  LEU  34          2HD1      LEU  34 -18.290  -3.033  -1.460
  669   3HD1  LEU  34          3HD1      LEU  34 -18.789  -3.872  -2.929
  670   1HD2  LEU  34          1HD2      LEU  34 -20.908  -0.808  -1.996
  671   2HD2  LEU  34          2HD2      LEU  34 -21.275  -2.392  -2.679
  672   3HD2  LEU  34          3HD2      LEU  34 -20.374  -2.271  -1.168
  673    H    LYS  35           H        LYS  35 -18.105   2.766  -2.176
  674    HA   LYS  35           HA       LYS  35 -20.150   3.042  -0.156
  675   1HB   LYS  35          1HB       LYS  35 -17.843   3.448   0.469
  676   2HB   LYS  35          2HB       LYS  35 -17.688   4.685  -0.769
  677   1HG   LYS  35          1HG       LYS  35 -19.849   5.125   1.171
  678   2HG   LYS  35          2HG       LYS  35 -18.214   5.185   1.828
  679   1HD   LYS  35          1HD       LYS  35 -19.211   6.772  -0.537
  680   2HD   LYS  35          2HD       LYS  35 -18.996   7.397   1.100
  681   1HE   LYS  35          1HE       LYS  35 -16.565   6.200   0.481
  682   2HE   LYS  35          2HE       LYS  35 -17.048   7.012  -1.009
  683   1HZ   LYS  35          1HZ       LYS  35 -17.273   8.488   1.511
  684   2HZ   LYS  35          2HZ       LYS  35 -15.731   8.267   0.854
  685   3HZ   LYS  35          3HZ       LYS  35 -16.928   9.057  -0.044
  686    H    GLN  36           H        GLN  36 -19.204   4.625  -3.133
  687    HA   GLN  36           HA       GLN  36 -20.966   6.869  -2.774
  688   1HB   GLN  36          1HB       GLN  36 -18.872   6.961  -4.132
  689   2HB   GLN  36          2HB       GLN  36 -19.633   5.898  -5.307
  690   1HG   GLN  36          1HG       GLN  36 -20.942   8.467  -4.535
  691   2HG   GLN  36          2HG       GLN  36 -19.623   8.452  -5.705
  692   2HE2  GLN  36          2HE2      GLN  36 -22.866   8.431  -5.419
  693   1HE2  GLN  36          1HE2      GLN  36 -23.298   7.663  -6.905
  694    H    SER  37           H        SER  37 -21.166   3.690  -4.156
  695    HA   SER  37           HA       SER  37 -23.540   4.197  -5.689
  696   1HB   SER  37          1HB       SER  37 -21.828   2.383  -6.175
  697   2HB   SER  37          2HB       SER  37 -22.501   1.500  -4.806
  698    HG   SER  37           HG       SER  37 -24.120   0.932  -6.011
  699    H    GLU  38           H        GLU  38 -22.808   3.279  -2.433
  700    HA   GLU  38           HA       GLU  38 -25.369   2.171  -1.812
  701   1HB   GLU  38          1HB       GLU  38 -23.017   1.977  -0.592
  702   2HB   GLU  38          2HB       GLU  38 -23.639   3.351   0.310
  703   1HG   GLU  38          1HG       GLU  38 -25.725   1.895   0.677
  704   2HG   GLU  38          2HG       GLU  38 -24.693   0.556   0.178
  705    H    ASP  39           H        ASP  39 -23.986   5.364  -1.833
  706    HA   ASP  39           HA       ASP  39 -25.989   6.587  -0.203
  707   1HB   ASP  39          1HB       ASP  39 -23.770   7.593  -0.456
  708   2HB   ASP  39          2HB       ASP  39 -24.055   7.814  -2.180
  709    H    ASP  40           H        ASP  40 -25.721   5.748  -3.549
  710    HA   ASP  40           HA       ASP  40 -28.454   6.228  -4.058
  711   1HB   ASP  40          1HB       ASP  40 -26.976   8.557  -4.202
  712   2HB   ASP  40          2HB       ASP  40 -27.040   8.026  -5.880
  713    H    ASP  41           H        ASP  41 -29.070   5.691  -6.261
  714    HA   ASP  41           HA       ASP  41 -27.832   3.445  -7.266
  715   1HB   ASP  41          1HB       ASP  41 -29.903   5.298  -8.189
  716   2HB   ASP  41          2HB       ASP  41 -29.032   4.516  -9.505

  No H/Q in entry =         716
  Start of MODEL   14
    1    H1   ALA   1           H1       ALA   1 -34.165   2.452   8.622
    2    H2   ALA   1           H2       ALA   1 -33.048   2.220   9.904
    3    H3   ALA   1           H3       ALA   1 -33.172   3.750   9.137
    4    HA   ALA   1           HA       ALA   1 -32.039   3.133   7.346
    5   1HB   ALA   1          1HB       ALA   1 -30.083   2.553   8.241
    6   2HB   ALA   1          2HB       ALA   1 -30.950   2.379   9.768
    7   3HB   ALA   1          3HB       ALA   1 -30.688   0.972   8.736
    8    H    LEU   2           H        LEU   2 -30.929   1.097   6.211
    9    HA   LEU   2           HA       LEU   2 -32.237  -1.370   6.168
   10   1HB   LEU   2          1HB       LEU   2 -33.585  -1.189   4.141
   11   2HB   LEU   2          2HB       LEU   2 -34.176  -0.119   5.398
   12    HG   LEU   2           HG       LEU   2 -32.281   1.166   3.573
   13   1HD1  LEU   2          1HD1      LEU   2 -34.552  -0.361   2.512
   14   2HD1  LEU   2          2HD1      LEU   2 -34.474   1.321   1.989
   15   3HD1  LEU   2          3HD1      LEU   2 -33.108   0.244   1.701
   16   1HD2  LEU   2          1HD2      LEU   2 -33.740   2.236   5.334
   17   2HD2  LEU   2          2HD2      LEU   2 -33.806   2.967   3.729
   18   3HD2  LEU   2          3HD2      LEU   2 -35.110   1.912   4.271
   19    H    LYS   3           H        LYS   3 -31.297  -2.803   4.721
   20    HA   LYS   3           HA       LYS   3 -29.757  -3.624   3.258
   21   1HB   LYS   3          1HB       LYS   3 -30.751  -1.472   1.950
   22   2HB   LYS   3          2HB       LYS   3 -29.061  -1.005   2.076
   23   1HG   LYS   3          1HG       LYS   3 -28.338  -2.811   0.801
   24   2HG   LYS   3          2HG       LYS   3 -29.841  -3.703   1.042
   25   1HD   LYS   3          1HD       LYS   3 -30.490  -1.233  -0.188
   26   2HD   LYS   3          2HD       LYS   3 -29.136  -1.935  -1.076
   27   1HE   LYS   3          1HE       LYS   3 -30.349  -3.968  -1.443
   28   2HE   LYS   3          2HE       LYS   3 -31.649  -3.442  -0.375
   29   1HZ   LYS   3          1HZ       LYS   3 -32.012  -1.571  -1.969
   30   2HZ   LYS   3          2HZ       LYS   3 -30.937  -2.332  -3.030
   31   3HZ   LYS   3          3HZ       LYS   3 -32.374  -3.104  -2.585
   32    H    LYS   4           H        LYS   4 -28.160  -4.208   4.649
   33    HA   LYS   4           HA       LYS   4 -26.099  -2.189   5.243
   34   1HB   LYS   4          1HB       LYS   4 -26.801  -4.696   6.780
   35   2HB   LYS   4          2HB       LYS   4 -25.498  -3.588   7.189
   36   1HG   LYS   4          1HG       LYS   4 -27.741  -1.968   7.003
   37   2HG   LYS   4          2HG       LYS   4 -28.317  -3.434   7.799
   38   1HD   LYS   4          1HD       LYS   4 -26.750  -3.217   9.552
   39   2HD   LYS   4          2HD       LYS   4 -25.816  -2.008   8.668
   40   1HE   LYS   4          1HE       LYS   4 -27.866  -0.531   8.787
   41   2HE   LYS   4          2HE       LYS   4 -28.533  -1.699   9.926
   42   1HZ   LYS   4          1HZ       LYS   4 -25.895  -0.426  10.347
   43   2HZ   LYS   4          2HZ       LYS   4 -27.328   0.282  10.897
   44   3HZ   LYS   4          3HZ       LYS   4 -26.859  -1.236  11.477
   45    H    HIS   5           H        HIS   5 -26.419  -3.977   2.859
   46    HA   HIS   5           HA       HIS   5 -24.313  -5.924   3.062
   47   1HB   HIS   5          1HB       HIS   5 -25.438  -4.922   0.463
   48   2HB   HIS   5          2HB       HIS   5 -24.847  -6.531   0.865
   49    HD1  HIS   5           HD1      HIS   5 -26.650  -6.638   3.555
   50    HD2  HIS   5           HD2      HIS   5 -27.933  -5.908  -0.329
   51    HE1  HIS   5           HE1      HIS   5 -29.085  -7.262   3.524
   52    HE2  HIS   5           HE2      HIS   5 -29.843  -6.812   1.163
   53    H    HIS   6           H        HIS   6 -24.689  -2.682   1.726
   54    HA   HIS   6           HA       HIS   6 -22.229  -2.530   0.383
   55   1HB   HIS   6          1HB       HIS   6 -23.948  -0.380   1.632
   56   2HB   HIS   6          2HB       HIS   6 -22.517  -0.033   0.667
   57    HD1  HIS   6           HD1      HIS   6 -24.133  -2.876  -0.796
   58    HD2  HIS   6           HD2      HIS   6 -24.737   1.235  -0.901
   59    HE1  HIS   6           HE1      HIS   6 -25.552  -2.456  -2.829
   60    HE2  HIS   6           HE2      HIS   6 -25.905   0.038  -2.875
   61    H    GLU   7           H        GLU   7 -23.106  -1.333   3.626
   62    HA   GLU   7           HA       GLU   7 -20.618  -0.444   4.424
   63   1HB   GLU   7          1HB       GLU   7 -23.119  -0.906   5.643
   64   2HB   GLU   7          2HB       GLU   7 -21.930  -1.745   6.630
   65   1HG   GLU   7          1HG       GLU   7 -20.948   0.167   7.325
   66   2HG   GLU   7          2HG       GLU   7 -21.257   1.008   5.808
   67    H    ASN   8           H        ASN   8 -21.747  -3.684   3.990
   68    HA   ASN   8           HA       ASN   8 -19.852  -5.001   5.649
   69   1HB   ASN   8          1HB       ASN   8 -22.071  -5.787   4.224
   70   2HB   ASN   8          2HB       ASN   8 -20.755  -6.500   3.294
   71   2HD2  ASN   8          2HD2      ASN   8 -20.791  -8.578   3.813
   72   1HD2  ASN   8          1HD2      ASN   8 -20.737  -9.212   5.420
   73    H    GLU   9           H        GLU   9 -20.015  -4.762   2.083
   74    HA   GLU   9           HA       GLU   9 -17.318  -5.634   1.745
   75   1HB   GLU   9          1HB       GLU   9 -19.084  -4.139  -0.203
   76   2HB   GLU   9          2HB       GLU   9 -17.622  -5.029  -0.602
   77   1HG   GLU   9          1HG       GLU   9 -18.691  -6.981  -0.659
   78   2HG   GLU   9          2HG       GLU   9 -19.585  -6.638   0.820
   79    H    ILE  10           H        ILE  10 -18.600  -2.730   2.810
   80    HA   ILE  10           HA       ILE  10 -16.524  -1.030   1.720
   81    HB   ILE  10           HB       ILE  10 -18.938  -0.527   3.460
   82   1HG1  ILE  10          1HG1      ILE  10 -18.252   0.636   0.766
   83   2HG1  ILE  10          2HG1      ILE  10 -19.129  -0.879   0.951
   84   1HG2  ILE  10          1HG2      ILE  10 -17.067   0.937   4.181
   85   2HG2  ILE  10          2HG2      ILE  10 -16.998   1.583   2.541
   86   3HG2  ILE  10          3HG2      ILE  10 -18.449   1.809   3.519
   87   1HD1  ILE  10          1HD1      ILE  10 -20.823   0.384   2.298
   88   2HD1  ILE  10          2HD1      ILE  10 -19.995   1.863   1.810
   89   3HD1  ILE  10          3HD1      ILE  10 -20.729   0.821   0.592
   90    H    SER  11           H        SER  11 -17.345  -2.764   4.614
   91    HA   SER  11           HA       SER  11 -15.436  -1.381   6.276
   92   1HB   SER  11          1HB       SER  11 -16.180  -2.739   8.030
   93   2HB   SER  11          2HB       SER  11 -17.616  -2.619   7.014
   94    HG   SER  11           HG       SER  11 -17.081  -4.785   7.704
   95    H    HIS  12           H        HIS  12 -15.569  -4.211   4.253
   96    HA   HIS  12           HA       HIS  12 -13.092  -5.302   5.215
   97   1HB   HIS  12          1HB       HIS  12 -14.184  -7.083   4.364
   98   2HB   HIS  12          2HB       HIS  12 -15.219  -6.081   3.362
   99    HD1  HIS  12           HD1      HIS  12 -11.962  -7.956   3.288
  100    HD2  HIS  12           HD2      HIS  12 -14.479  -5.891   0.712
  101    HE1  HIS  12           HE1      HIS  12 -11.120  -8.473   0.974
  102    HE2  HIS  12           HE2      HIS  12 -12.661  -7.216  -0.573
  103    H    HIS  13           H        HIS  13 -14.135  -3.581   2.246
  104    HA   HIS  13           HA       HIS  13 -11.522  -3.454   1.143
  105   1HB   HIS  13          1HB       HIS  13 -13.884  -1.629   0.649
  106   2HB   HIS  13          2HB       HIS  13 -12.419  -1.692  -0.322
  107    HD1  HIS  13           HD1      HIS  13 -12.305  -4.888  -0.363
  108    HD2  HIS  13           HD2      HIS  13 -15.527  -2.475  -1.371
  109    HE1  HIS  13           HE1      HIS  13 -13.720  -6.277  -1.913
  110    HE2  HIS  13           HE2      HIS  13 -15.672  -4.796  -2.512
  111    H    ALA  14           H        ALA  14 -13.208  -1.615   3.550
  112    HA   ALA  14           HA       ALA  14 -11.627   0.737   3.439
  113   1HB   ALA  14          1HB       ALA  14 -12.466   0.792   5.964
  114   2HB   ALA  14          2HB       ALA  14 -13.534   1.161   4.610
  115   3HB   ALA  14          3HB       ALA  14 -13.568  -0.440   5.350
  116    H    LYS  15           H        LYS  15 -11.497  -2.180   5.456
  117    HA   LYS  15           HA       LYS  15  -9.148  -1.379   6.856
  118   1HB   LYS  15          1HB       LYS  15 -11.030  -3.464   7.042
  119   2HB   LYS  15          2HB       LYS  15  -9.477  -4.242   6.776
  120   1HG   LYS  15          1HG       LYS  15  -8.565  -2.898   8.672
  121   2HG   LYS  15          2HG       LYS  15 -10.211  -2.345   8.990
  122   1HD   LYS  15          1HD       LYS  15 -10.936  -4.624   9.374
  123   2HD   LYS  15          2HD       LYS  15  -9.335  -5.233   8.950
  124   1HE   LYS  15          1HE       LYS  15  -9.108  -5.212  11.211
  125   2HE   LYS  15          2HE       LYS  15  -8.614  -3.553  10.878
  126   1HZ   LYS  15          1HZ       LYS  15 -10.875  -2.829  11.361
  127   2HZ   LYS  15          2HZ       LYS  15 -11.333  -4.424  11.700
  128   3HZ   LYS  15          3HZ       LYS  15 -10.203  -3.640  12.685
  129    H    GLU  16           H        GLU  16  -9.713  -2.677   3.739
  130    HA   GLU  16           HA       GLU  16  -7.127  -3.934   3.486
  131   1HB   GLU  16          1HB       GLU  16  -9.371  -3.408   1.545
  132   2HB   GLU  16          2HB       GLU  16  -7.840  -4.112   1.044
  133   1HG   GLU  16          1HG       GLU  16  -9.437  -5.324   3.264
  134   2HG   GLU  16          2HG       GLU  16  -9.812  -5.670   1.577
  135    H    ILE  17           H        ILE  17  -8.615  -0.863   2.597
  136    HA   ILE  17           HA       ILE  17  -6.345  -0.044   1.009
  137    HB   ILE  17           HB       ILE  17  -8.523   0.810   0.402
  138   1HG1  ILE  17          1HG1      ILE  17  -6.382   2.239   0.224
  139   2HG1  ILE  17          2HG1      ILE  17  -7.932   3.045   0.013
  140   1HG2  ILE  17          1HG2      ILE  17  -8.686   1.420   3.260
  141   2HG2  ILE  17          2HG2      ILE  17  -9.304   2.688   2.202
  142   3HG2  ILE  17          3HG2      ILE  17  -9.961   1.054   2.098
  143   1HD1  ILE  17          1HD1      ILE  17  -7.211   3.132   2.770
  144   2HD1  ILE  17          2HD1      ILE  17  -5.855   3.694   1.793
  145   3HD1  ILE  17          3HD1      ILE  17  -7.435   4.461   1.633
  146    H    GLU  18           H        GLU  18  -7.461   0.313   4.294
  147    HA   GLU  18           HA       GLU  18  -5.499   2.329   4.951
  148   1HB   GLU  18          1HB       GLU  18  -7.881   1.755   6.040
  149   2HB   GLU  18          2HB       GLU  18  -6.863   0.777   7.088
  150   1HG   GLU  18          1HG       GLU  18  -5.509   2.804   7.566
  151   2HG   GLU  18          2HG       GLU  18  -6.673   3.744   6.633
  152    H    ARG  19           H        ARG  19  -5.908  -1.144   5.297
  153    HA   ARG  19           HA       ARG  19  -3.570  -1.491   6.923
  154   1HB   ARG  19          1HB       ARG  19  -5.506  -3.063   6.950
  155   2HB   ARG  19          2HB       ARG  19  -5.086  -3.555   5.314
  156   1HG   ARG  19          1HG       ARG  19  -3.874  -5.155   6.268
  157   2HG   ARG  19          2HG       ARG  19  -2.724  -3.882   6.682
  158   1HD   ARG  19          1HD       ARG  19  -5.059  -4.465   8.463
  159   2HD   ARG  19          2HD       ARG  19  -3.603  -5.457   8.544
  160    HE   ARG  19           HE       ARG  19  -2.755  -2.836   8.699
  161   1HH1  ARG  19          1HH1      ARG  19  -4.819  -4.958  10.532
  162   2HH1  ARG  19          2HH1      ARG  19  -4.496  -4.180  12.044
  163   1HH2  ARG  19          1HH2      ARG  19  -2.321  -1.802  10.686
  164   2HH2  ARG  19          2HH2      ARG  19  -3.076  -2.385  12.132
  165    H    LEU  20           H        LEU  20  -4.324  -1.516   3.512
  166    HA   LEU  20           HA       LEU  20  -1.861  -2.695   2.673
  167   1HB   LEU  20          1HB       LEU  20  -4.078  -1.216   1.303
  168   2HB   LEU  20          2HB       LEU  20  -2.581  -1.531   0.449
  169    HG   LEU  20           HG       LEU  20  -4.148  -3.747   1.742
  170   1HD1  LEU  20          1HD1      LEU  20  -5.002  -2.142  -0.435
  171   2HD1  LEU  20          2HD1      LEU  20  -4.539  -3.723  -1.066
  172   3HD1  LEU  20          3HD1      LEU  20  -5.745  -3.602   0.215
  173   1HD2  LEU  20          1HD2      LEU  20  -1.680  -3.552   0.338
  174   2HD2  LEU  20          2HD2      LEU  20  -2.457  -4.982   1.015
  175   3HD2  LEU  20          3HD2      LEU  20  -2.814  -4.485  -0.639
  176    H    GLN  21           H        GLN  21  -3.070   0.592   3.094
  177    HA   GLN  21           HA       GLN  21  -0.876   1.947   1.968
  178   1HB   GLN  21          1HB       GLN  21  -3.016   3.047   2.420
  179   2HB   GLN  21          2HB       GLN  21  -2.773   2.839   4.148
  180   1HG   GLN  21          1HG       GLN  21  -0.488   4.153   3.230
  181   2HG   GLN  21          2HG       GLN  21  -1.844   4.923   2.408
  182   2HE2  GLN  21          2HE2      GLN  21  -3.750   5.364   3.922
  183   1HE2  GLN  21          1HE2      GLN  21  -3.350   6.066   5.448
  184    H    LYS  22           H        LYS  22  -1.547   0.868   5.277
  185    HA   LYS  22           HA       LYS  22   0.725   2.037   6.471
  186   1HB   LYS  22          1HB       LYS  22  -1.425   0.856   7.485
  187   2HB   LYS  22          2HB       LYS  22  -0.357  -0.540   7.512
  188   1HG   LYS  22          1HG       LYS  22   1.106   1.608   8.586
  189   2HG   LYS  22          2HG       LYS  22  -0.496   1.662   9.322
  190   1HD   LYS  22          1HD       LYS  22   0.754   0.258  10.725
  191   2HD   LYS  22          2HD       LYS  22  -0.200  -0.844   9.729
  192   1HE   LYS  22          1HE       LYS  22   1.885  -1.816   9.624
  193   2HE   LYS  22          2HE       LYS  22   1.893  -0.807   8.177
  194   1HZ   LYS  22          1HZ       LYS  22   2.910   0.920   9.842
  195   2HZ   LYS  22          2HZ       LYS  22   3.367  -0.473  10.686
  196   3HZ   LYS  22          3HZ       LYS  22   3.885  -0.242   9.094
  197    H    GLU  23           H        GLU  23   0.191  -1.071   4.900
  198    HA   GLU  23           HA       GLU  23   2.642  -2.268   5.608
  199   1HB   GLU  23          1HB       GLU  23   0.372  -2.971   4.103
  200   2HB   GLU  23          2HB       GLU  23   1.740  -3.128   3.009
  201   1HG   GLU  23          1HG       GLU  23   2.003  -5.152   3.884
  202   2HG   GLU  23          2HG       GLU  23   2.666  -4.324   5.292
  203    H    ILE  24           H        ILE  24   1.703  -0.223   2.884
  204    HA   ILE  24           HA       ILE  24   4.100  -0.531   1.422
  205    HB   ILE  24           HB       ILE  24   3.317   1.020  -0.061
  206   1HG1  ILE  24          1HG1      ILE  24   1.680   2.919   0.766
  207   2HG1  ILE  24          2HG1      ILE  24   2.429   2.595   2.326
  208   1HG2  ILE  24          1HG2      ILE  24   1.436  -0.631   0.834
  209   2HG2  ILE  24          2HG2      ILE  24   0.644   0.904   1.192
  210   3HG2  ILE  24          3HG2      ILE  24   1.146   0.537  -0.455
  211   1HD1  ILE  24          1HD1      ILE  24   4.495   2.801   0.402
  212   2HD1  ILE  24          2HD1      ILE  24   3.402   4.170   0.186
  213   3HD1  ILE  24          3HD1      ILE  24   4.139   3.870   1.760
  214    H    GLU  25           H        GLU  25   3.119   1.696   3.961
  215    HA   GLU  25           HA       GLU  25   5.291   3.457   3.858
  216   1HB   GLU  25          1HB       GLU  25   3.113   2.868   5.675
  217   2HB   GLU  25          2HB       GLU  25   4.589   3.229   6.560
  218   1HG   GLU  25          1HG       GLU  25   4.787   5.359   5.506
  219   2HG   GLU  25          2HG       GLU  25   3.468   4.990   4.396
  220    H    ARG  26           H        ARG  26   4.845   0.420   5.633
  221    HA   ARG  26           HA       ARG  26   7.208   0.437   7.106
  222   1HB   ARG  26          1HB       ARG  26   5.433  -1.204   7.475
  223   2HB   ARG  26          2HB       ARG  26   5.748  -1.924   5.902
  224   1HG   ARG  26          1HG       ARG  26   8.099  -2.379   6.757
  225   2HG   ARG  26          2HG       ARG  26   7.470  -1.983   8.357
  226   1HD   ARG  26          1HD       ARG  26   6.515  -4.173   6.519
  227   2HD   ARG  26          2HD       ARG  26   7.385  -4.368   8.041
  228    HE   ARG  26           HE       ARG  26   5.016  -2.935   8.512
  229   1HH1  ARG  26          1HH1      ARG  26   6.092  -6.131   7.649
  230   2HH1  ARG  26          2HH1      ARG  26   4.729  -6.925   8.363
  231   1HH2  ARG  26          1HH2      ARG  26   3.216  -3.969   9.458
  232   2HH2  ARG  26          2HH2      ARG  26   3.093  -5.695   9.391
  233    H    HIS  27           H        HIS  27   6.578  -0.923   3.881
  234    HA   HIS  27           HA       HIS  27   9.233  -1.773   3.411
  235   1HB   HIS  27          1HB       HIS  27   6.745  -1.722   1.973
  236   2HB   HIS  27          2HB       HIS  27   8.040  -1.154   0.924
  237    HD1  HIS  27           HD1      HIS  27  10.118  -2.853   0.674
  238    HD2  HIS  27           HD2      HIS  27   6.631  -4.428   2.294
  239    HE1  HIS  27           HE1      HIS  27  10.357  -5.349   0.484
  240    HE2  HIS  27           HE2      HIS  27   8.235  -6.284   1.470
  241    H    LYS  28           H        LYS  28   7.689   1.308   3.232
  242    HA   LYS  28           HA       LYS  28   9.615   2.516   1.482
  243   1HB   LYS  28          1HB       LYS  28   7.195   3.257   1.834
  244   2HB   LYS  28          2HB       LYS  28   7.745   3.970   3.343
  245   1HG   LYS  28          1HG       LYS  28   9.429   4.757   1.131
  246   2HG   LYS  28          2HG       LYS  28   7.735   5.162   0.842
  247   1HD   LYS  28          1HD       LYS  28   9.179   5.835   3.398
  248   2HD   LYS  28          2HD       LYS  28   9.102   6.929   2.015
  249   1HE   LYS  28          1HE       LYS  28   6.887   7.374   2.315
  250   2HE   LYS  28          2HE       LYS  28   6.549   5.784   2.999
  251   1HZ   LYS  28          1HZ       LYS  28   8.202   6.964   4.821
  252   2HZ   LYS  28          2HZ       LYS  28   7.195   8.231   4.328
  253   3HZ   LYS  28          3HZ       LYS  28   6.523   6.810   4.955
  254    H    GLN  29           H        GLN  29   9.328   1.951   4.880
  255    HA   GLN  29           HA       GLN  29  11.233   3.949   5.672
  256   1HB   GLN  29          1HB       GLN  29   9.439   3.115   7.178
  257   2HB   GLN  29          2HB       GLN  29  10.235   1.548   7.214
  258   1HG   GLN  29          1HG       GLN  29  12.134   2.451   8.329
  259   2HG   GLN  29          2HG       GLN  29  11.548   4.100   8.108
  260   2HE2  GLN  29          2HE2      GLN  29   9.344   4.502   9.082
  261   1HE2  GLN  29          1HE2      GLN  29   9.058   3.836  10.650
  262    H    SER  30           H        SER  30  11.273   0.479   5.044
  263    HA   SER  30           HA       SER  30  13.970   0.083   5.872
  264   1HB   SER  30          1HB       SER  30  13.717  -2.075   4.525
  265   2HB   SER  30          2HB       SER  30  12.589  -1.846   5.861
  266    HG   SER  30           HG       SER  30  11.642  -2.548   3.821
  267    H    ILE  31           H        ILE  31  12.416   0.801   2.788
  268    HA   ILE  31           HA       ILE  31  14.815   0.503   1.248
  269    HB   ILE  31           HB       ILE  31  12.654   0.192   0.195
  270   1HG1  ILE  31          1HG1      ILE  31  12.923   1.894  -1.708
  271   2HG1  ILE  31          2HG1      ILE  31  14.300   2.509  -0.797
  272   1HG2  ILE  31          1HG2      ILE  31  11.830   2.320   1.690
  273   2HG2  ILE  31          2HG2      ILE  31  11.920   3.016   0.071
  274   3HG2  ILE  31          3HG2      ILE  31  10.920   1.593   0.366
  275   1HD1  ILE  31          1HD1      ILE  31  15.232   0.181  -0.852
  276   2HD1  ILE  31          2HD1      ILE  31  13.945  -0.220  -1.988
  277   3HD1  ILE  31          3HD1      ILE  31  15.141   1.006  -2.409
  278    H    LYS  32           H        LYS  32  13.274   3.083   2.998
  279    HA   LYS  32           HA       LYS  32  14.765   5.198   1.760
  280   1HB   LYS  32          1HB       LYS  32  12.575   5.627   2.766
  281   2HB   LYS  32          2HB       LYS  32  13.191   5.146   4.341
  282   1HG   LYS  32          1HG       LYS  32  14.947   7.114   3.547
  283   2HG   LYS  32          2HG       LYS  32  13.384   7.691   2.966
  284   1HD   LYS  32          1HD       LYS  32  13.285   8.525   5.078
  285   2HD   LYS  32          2HD       LYS  32  12.648   6.912   5.407
  286   1HE   LYS  32          1HE       LYS  32  14.902   6.167   6.035
  287   2HE   LYS  32          2HE       LYS  32  15.513   7.794   5.738
  288   1HZ   LYS  32          1HZ       LYS  32  13.330   7.292   7.666
  289   2HZ   LYS  32          2HZ       LYS  32  14.955   7.167   8.120
  290   3HZ   LYS  32          3HZ       LYS  32  14.348   8.640   7.553
  291    H    LYS  33           H        LYS  33  15.205   3.052   4.460
  292    HA   LYS  33           HA       LYS  33  17.325   4.573   5.667
  293   1HB   LYS  33          1HB       LYS  33  15.915   2.045   6.204
  294   2HB   LYS  33          2HB       LYS  33  17.608   2.053   6.675
  295   1HG   LYS  33          1HG       LYS  33  16.488   4.485   7.566
  296   2HG   LYS  33          2HG       LYS  33  15.372   3.194   8.012
  297   1HD   LYS  33          1HD       LYS  33  16.758   3.121   9.822
  298   2HD   LYS  33          2HD       LYS  33  17.626   2.013   8.758
  299   1HE   LYS  33          1HE       LYS  33  19.190   3.683   8.145
  300   2HE   LYS  33          2HE       LYS  33  18.213   4.961   8.866
  301   1HZ   LYS  33          1HZ       LYS  33  18.974   2.894  10.719
  302   2HZ   LYS  33          2HZ       LYS  33  20.291   3.731  10.068
  303   3HZ   LYS  33          3HZ       LYS  33  19.069   4.576  10.875
  304    H    LEU  34           H        LEU  34  17.063   1.858   3.446
  305    HA   LEU  34           HA       LEU  34  19.854   1.254   3.435
  306   1HB   LEU  34          1HB       LEU  34  17.443   0.339   2.023
  307   2HB   LEU  34          2HB       LEU  34  18.916   0.251   1.076
  308    HG   LEU  34           HG       LEU  34  18.759  -0.938   3.831
  309   1HD1  LEU  34          1HD1      LEU  34  17.677  -1.988   1.270
  310   2HD1  LEU  34          2HD1      LEU  34  18.475  -3.110   2.372
  311   3HD1  LEU  34          3HD1      LEU  34  17.077  -2.183   2.916
  312   1HD2  LEU  34          1HD2      LEU  34  20.923  -0.502   2.421
  313   2HD2  LEU  34          2HD2      LEU  34  20.714  -2.018   3.298
  314   3HD2  LEU  34          3HD2      LEU  34  20.405  -1.952   1.562
  315    H    LYS  35           H        LYS  35  17.764   3.383   1.620
  316    HA   LYS  35           HA       LYS  35  19.659   3.922  -0.460
  317   1HB   LYS  35          1HB       LYS  35  17.255   4.184  -0.842
  318   2HB   LYS  35          2HB       LYS  35  17.185   5.439   0.388
  319   1HG   LYS  35          1HG       LYS  35  19.158   6.284  -1.385
  320   2HG   LYS  35          2HG       LYS  35  17.870   5.635  -2.401
  321   1HD   LYS  35          1HD       LYS  35  17.183   7.463  -0.142
  322   2HD   LYS  35          2HD       LYS  35  17.822   8.138  -1.641
  323   1HE   LYS  35          1HE       LYS  35  15.855   7.907  -2.649
  324   2HE   LYS  35          2HE       LYS  35  15.786   6.199  -2.219
  325   1HZ   LYS  35          1HZ       LYS  35  15.157   8.200  -0.167
  326   2HZ   LYS  35          2HZ       LYS  35  13.996   7.859  -1.349
  327   3HZ   LYS  35          3HZ       LYS  35  14.570   6.623  -0.348
  328    H    GLN  36           H        GLN  36  18.759   5.430   2.590
  329    HA   GLN  36           HA       GLN  36  20.336   7.777   2.208
  330   1HB   GLN  36          1HB       GLN  36  18.353   7.461   3.799
  331   2HB   GLN  36          2HB       GLN  36  19.489   6.657   4.873
  332   1HG   GLN  36          1HG       GLN  36  20.539   9.183   3.972
  333   2HG   GLN  36          2HG       GLN  36  18.950   9.382   4.711
  334   2HE2  GLN  36          2HE2      GLN  36  21.486  10.297   5.706
  335   1HE2  GLN  36          1HE2      GLN  36  21.727   9.541   7.241
  336    H    SER  37           H        SER  37  20.930   4.585   3.465
  337    HA   SER  37           HA       SER  37  23.368   5.212   4.809
  338   1HB   SER  37          1HB       SER  37  21.684   2.986   4.638
  339   2HB   SER  37          2HB       SER  37  23.202   2.457   3.911
  340    HG   SER  37           HG       SER  37  22.640   2.733   6.478
  341    H    GLU  38           H        GLU  38  22.496   4.386   1.543
  342    HA   GLU  38           HA       GLU  38  25.095   3.647   0.655
  343   1HB   GLU  38          1HB       GLU  38  22.736   3.271  -0.435
  344   2HB   GLU  38          2HB       GLU  38  23.050   4.829  -1.186
  345   1HG   GLU  38          1HG       GLU  38  25.184   3.901  -2.068
  346   2HG   GLU  38          2HG       GLU  38  24.699   2.327  -1.439
  347    H    ASP  39           H        ASP  39  23.492   6.670   1.167
  348    HA   ASP  39           HA       ASP  39  25.748   8.079  -0.101
  349   1HB   ASP  39          1HB       ASP  39  23.008   8.408  -0.532
  350   2HB   ASP  39          2HB       ASP  39  23.463   9.769   0.489
  351    H    ASP  40           H        ASP  40  25.506   6.953   2.651
  352    HA   ASP  40           HA       ASP  40  25.673   9.434   4.221
  353   1HB   ASP  40          1HB       ASP  40  24.064   7.647   4.965
  354   2HB   ASP  40          2HB       ASP  40  25.452   6.607   5.269
  355    H    ASP  41           H        ASP  41  27.207   6.212   4.294
  356    HA   ASP  41           HA       ASP  41  29.588   7.210   5.497
  357   1HB   ASP  41          1HB       ASP  41  28.539   4.614   4.643
  358   2HB   ASP  41          2HB       ASP  41  30.278   4.768   4.417
  359    H1   ALA   1           H1       ALA   1  34.165   2.457  -8.620
  360    H2   ALA   1           H2       ALA   1  33.048   2.226  -9.902
  361    H3   ALA   1           H3       ALA   1  33.173   3.757  -9.135
  362    HA   ALA   1           HA       ALA   1  32.039   3.138  -7.345
  363   1HB   ALA   1          1HB       ALA   1  30.083   2.559  -8.240
  364   2HB   ALA   1          2HB       ALA   1  30.688   0.978  -8.736
  365   3HB   ALA   1          3HB       ALA   1  30.950   2.386  -9.766
  366    H    LEU   2           H        LEU   2  30.929   1.102  -6.210
  367    HA   LEU   2           HA       LEU   2  32.237  -1.366  -6.169
  368   1HB   LEU   2          1HB       LEU   2  33.585  -1.186  -4.143
  369   2HB   LEU   2          2HB       LEU   2  34.176  -0.115  -5.399
  370    HG   LEU   2           HG       LEU   2  32.281   1.168  -3.572
  371   1HD1  LEU   2          1HD1      LEU   2  34.551  -0.359  -2.513
  372   2HD1  LEU   2          2HD1      LEU   2  34.475   1.322  -1.988
  373   3HD1  LEU   2          3HD1      LEU   2  33.108   0.245  -1.701
  374   1HD2  LEU   2          1HD2      LEU   2  33.740   2.240  -5.331
  375   2HD2  LEU   2          2HD2      LEU   2  33.806   2.970  -3.727
  376   3HD2  LEU   2          3HD2      LEU   2  35.110   1.914  -4.270
  377    H    LYS   3           H        LYS   3  31.297  -2.800  -4.724
  378    HA   LYS   3           HA       LYS   3  29.757  -3.622  -3.260
  379   1HB   LYS   3          1HB       LYS   3  30.750  -1.471  -1.952
  380   2HB   LYS   3          2HB       LYS   3  29.060  -1.003  -2.077
  381   1HG   LYS   3          1HG       LYS   3  28.338  -2.812  -0.802
  382   2HG   LYS   3          2HG       LYS   3  29.842  -3.703  -1.045
  383   1HD   LYS   3          1HD       LYS   3  30.490  -1.233   0.188
  384   2HD   LYS   3          2HD       LYS   3  29.137  -1.935   1.075
  385   1HE   LYS   3          1HE       LYS   3  30.349  -3.968   1.441
  386   2HE   LYS   3          2HE       LYS   3  31.650  -3.442   0.373
  387   1HZ   LYS   3          1HZ       LYS   3  32.013  -1.573   1.968
  388   2HZ   LYS   3          2HZ       LYS   3  30.938  -2.334   3.029
  389   3HZ   LYS   3          3HZ       LYS   3  32.375  -3.107   2.583
  390    H    LYS   4           H        LYS   4  28.160  -4.205  -4.651
  391    HA   LYS   4           HA       LYS   4  26.099  -2.186  -5.245
  392   1HB   LYS   4          1HB       LYS   4  26.800  -4.692  -6.783
  393   2HB   LYS   4          2HB       LYS   4  25.498  -3.584  -7.191
  394   1HG   LYS   4          1HG       LYS   4  27.742  -1.964  -7.004
  395   2HG   LYS   4          2HG       LYS   4  28.316  -3.431  -7.802
  396   1HD   LYS   4          1HD       LYS   4  26.750  -3.210  -9.554
  397   2HD   LYS   4          2HD       LYS   4  25.816  -2.002  -8.670
  398   1HE   LYS   4          1HE       LYS   4  27.866  -0.526  -8.788
  399   2HE   LYS   4          2HE       LYS   4  28.533  -1.693  -9.928
  400   1HZ   LYS   4          1HZ       LYS   4  25.895  -0.420 -10.347
  401   2HZ   LYS   4          2HZ       LYS   4  27.328   0.289 -10.897
  402   3HZ   LYS   4          3HZ       LYS   4  26.859  -1.229 -11.478
  403    H    HIS   5           H        HIS   5  26.419  -3.975  -2.861
  404    HA   HIS   5           HA       HIS   5  24.313  -5.922  -3.066
  405   1HB   HIS   5          1HB       HIS   5  25.438  -4.922  -0.466
  406   2HB   HIS   5          2HB       HIS   5  24.847  -6.531  -0.869
  407    HD1  HIS   5           HD1      HIS   5  26.649  -6.636  -3.560
  408    HD2  HIS   5           HD2      HIS   5  27.933  -5.908   0.325
  409    HE1  HIS   5           HE1      HIS   5  29.084  -7.260  -3.530
  410    HE2  HIS   5           HE2      HIS   5  29.843  -6.812  -1.169
  411    H    HIS   6           H        HIS   6  24.688  -2.681  -1.728
  412    HA   HIS   6           HA       HIS   6  22.228  -2.530  -0.384
  413   1HB   HIS   6          1HB       HIS   6  23.947  -0.379  -1.632
  414   2HB   HIS   6          2HB       HIS   6  22.516  -0.033  -0.667
  415    HD1  HIS   6           HD1      HIS   6  24.133  -2.876   0.794
  416    HD2  HIS   6           HD2      HIS   6  24.737   1.234   0.902
  417    HE1  HIS   6           HE1      HIS   6  25.552  -2.459   2.828
  418    HE2  HIS   6           HE2      HIS   6  25.906   0.036   2.874
  419    H    GLU   7           H        GLU   7  23.106  -1.331  -3.627
  420    HA   GLU   7           HA       GLU   7  20.619  -0.442  -4.424
  421   1HB   GLU   7          1HB       GLU   7  23.119  -0.902  -5.644
  422   2HB   GLU   7          2HB       GLU   7  21.930  -1.741  -6.631
  423   1HG   GLU   7          1HG       GLU   7  20.948   0.171  -7.326
  424   2HG   GLU   7          2HG       GLU   7  21.257   1.012  -5.807
  425    H    ASN   8           H        ASN   8  21.747  -3.682  -3.993
  426    HA   ASN   8           HA       ASN   8  19.851  -4.997  -5.653
  427   1HB   ASN   8          1HB       ASN   8  22.071  -5.785  -4.227
  428   2HB   ASN   8          2HB       ASN   8  20.755  -6.498  -3.299
  429   2HD2  ASN   8          2HD2      ASN   8  20.789  -8.576  -3.819
  430   1HD2  ASN   8          1HD2      ASN   8  20.736  -9.209  -5.427
  431    H    GLU   9           H        GLU   9  20.015  -4.761  -2.086
  432    HA   GLU   9           HA       GLU   9  17.318  -5.633  -1.749
  433   1HB   GLU   9          1HB       GLU   9  19.085  -4.139   0.199
  434   2HB   GLU   9          2HB       GLU   9  17.622  -5.029   0.598
  435   1HG   GLU   9          1HG       GLU   9  18.691  -6.981   0.654
  436   2HG   GLU   9          2HG       GLU   9  19.585  -6.638  -0.825
  437    H    ILE  10           H        ILE  10  18.599  -2.728  -2.812
  438    HA   ILE  10           HA       ILE  10  16.524  -1.029  -1.721
  439    HB   ILE  10           HB       ILE  10  18.938  -0.525  -3.461
  440   1HG1  ILE  10          1HG1      ILE  10  18.253   0.637  -0.767
  441   2HG1  ILE  10          2HG1      ILE  10  19.129  -0.879  -0.951
  442   1HG2  ILE  10          1HG2      ILE  10  17.067   0.939  -4.182
  443   2HG2  ILE  10          2HG2      ILE  10  16.998   1.585  -2.540
  444   3HG2  ILE  10          3HG2      ILE  10  18.449   1.811  -3.519
  445   1HD1  ILE  10          1HD1      ILE  10  20.824   0.386  -2.298
  446   2HD1  ILE  10          2HD1      ILE  10  19.996   1.864  -1.810
  447   3HD1  ILE  10          3HD1      ILE  10  20.730   0.821  -0.592
  448    H    SER  11           H        SER  11  17.345  -2.761  -4.616
  449    HA   SER  11           HA       SER  11  15.436  -1.376  -6.277
  450   1HB   SER  11          1HB       SER  11  16.180  -2.734  -8.032
  451   2HB   SER  11          2HB       SER  11  17.616  -2.614  -7.016
  452    HG   SER  11           HG       SER  11  17.082  -4.780  -7.708
  453    H    HIS  12           H        HIS  12  15.569  -4.208  -4.255
  454    HA   HIS  12           HA       HIS  12  13.092  -5.298  -5.219
  455   1HB   HIS  12          1HB       HIS  12  14.184  -7.081  -4.368
  456   2HB   HIS  12          2HB       HIS  12  15.219  -6.078  -3.366
  457    HD1  HIS  12           HD1      HIS  12  11.961  -7.953  -3.294
  458    HD2  HIS  12           HD2      HIS  12  14.480  -5.891  -0.715
  459    HE1  HIS  12           HE1      HIS  12  11.120  -8.472  -0.980
  460    HE2  HIS  12           HE2      HIS  12  12.661  -7.216   0.569
  461    H    HIS  13           H        HIS  13  14.135  -3.580  -2.248
  462    HA   HIS  13           HA       HIS  13  11.522  -3.454  -1.145
  463   1HB   HIS  13          1HB       HIS  13  13.884  -1.629  -0.649
  464   2HB   HIS  13          2HB       HIS  13  12.419  -1.692   0.323
  465    HD1  HIS  13           HD1      HIS  13  12.305  -4.887   0.360
  466    HD2  HIS  13           HD2      HIS  13  15.528  -2.476   1.370
  467    HE1  HIS  13           HE1      HIS  13  13.721  -6.278   1.910
  468    HE2  HIS  13           HE2      HIS  13  15.673  -4.799   2.509
  469    H    ALA  14           H        ALA  14  13.207  -1.613  -3.551
  470    HA   ALA  14           HA       ALA  14  11.627   0.740  -3.439
  471   1HB   ALA  14          1HB       ALA  14  13.568  -0.437  -5.350
  472   2HB   ALA  14          2HB       ALA  14  13.534   1.164  -4.609
  473   3HB   ALA  14          3HB       ALA  14  12.466   0.796  -5.964
  474    H    LYS  15           H        LYS  15  11.497  -2.177  -5.457
  475    HA   LYS  15           HA       LYS  15   9.146  -1.375  -6.858
  476   1HB   LYS  15          1HB       LYS  15  11.030  -3.460  -7.044
  477   2HB   LYS  15          2HB       LYS  15   9.477  -4.238  -6.778
  478   1HG   LYS  15          1HG       LYS  15   8.565  -2.892  -8.673
  479   2HG   LYS  15          2HG       LYS  15  10.211  -2.339  -8.992
  480   1HD   LYS  15          1HD       LYS  15  10.936  -4.617  -9.377
  481   2HD   LYS  15          2HD       LYS  15   9.336  -5.227  -8.953
  482   1HE   LYS  15          1HE       LYS  15   9.109  -5.206 -11.214
  483   2HE   LYS  15          2HE       LYS  15   8.614  -3.547 -10.880
  484   1HZ   LYS  15          1HZ       LYS  15  10.874  -2.822 -11.362
  485   2HZ   LYS  15          2HZ       LYS  15  11.334  -4.415 -11.703
  486   3HZ   LYS  15          3HZ       LYS  15  10.203  -3.631 -12.687
  487    H    GLU  16           H        GLU  16   9.713  -2.675  -3.741
  488    HA   GLU  16           HA       GLU  16   7.128  -3.932  -3.489
  489   1HB   GLU  16          1HB       GLU  16   9.372  -3.406  -1.547
  490   2HB   GLU  16          2HB       GLU  16   7.840  -4.111  -1.047
  491   1HG   GLU  16          1HG       GLU  16   9.438  -5.321  -3.267
  492   2HG   GLU  16          2HG       GLU  16   9.811  -5.668  -1.579
  493    H    ILE  17           H        ILE  17   8.615  -0.860  -2.598
  494    HA   ILE  17           HA       ILE  17   6.344  -0.043  -1.009
  495    HB   ILE  17           HB       ILE  17   8.522   0.810  -0.401
  496   1HG1  ILE  17          1HG1      ILE  17   6.382   2.239  -0.223
  497   2HG1  ILE  17          2HG1      ILE  17   7.931   3.045  -0.012
  498   1HG2  ILE  17          1HG2      ILE  17   8.685   1.423  -3.259
  499   2HG2  ILE  17          2HG2      ILE  17   9.304   2.690  -2.200
  500   3HG2  ILE  17          3HG2      ILE  17   9.961   1.055  -2.096
  501   1HD1  ILE  17          1HD1      ILE  17   7.211   3.135  -2.768
  502   2HD1  ILE  17          2HD1      ILE  17   5.855   3.694  -1.791
  503   3HD1  ILE  17          3HD1      ILE  17   7.434   4.463  -1.630
  504    H    GLU  18           H        GLU  18   7.461   0.316  -4.294
  505    HA   GLU  18           HA       GLU  18   5.499   2.333  -4.950
  506   1HB   GLU  18          1HB       GLU  18   7.882   1.760  -6.039
  507   2HB   GLU  18          2HB       GLU  18   6.864   0.782  -7.088
  508   1HG   GLU  18          1HG       GLU  18   5.509   2.808  -7.564
  509   2HG   GLU  18          2HG       GLU  18   6.673   3.749  -6.631
  510    H    ARG  19           H        ARG  19   5.908  -1.141  -5.297
  511    HA   ARG  19           HA       ARG  19   3.569  -1.486  -6.924
  512   1HB   ARG  19          1HB       ARG  19   5.505  -3.058  -6.952
  513   2HB   ARG  19          2HB       ARG  19   5.086  -3.552  -5.317
  514   1HG   ARG  19          1HG       ARG  19   3.874  -5.150  -6.271
  515   2HG   ARG  19          2HG       ARG  19   2.724  -3.877  -6.685
  516   1HD   ARG  19          1HD       ARG  19   5.058  -4.460  -8.467
  517   2HD   ARG  19          2HD       ARG  19   3.603  -5.452  -8.548
  518    HE   ARG  19           HE       ARG  19   2.755  -2.830  -8.701
  519   1HH1  ARG  19          1HH1      ARG  19   4.819  -4.951 -10.535
  520   2HH1  ARG  19          2HH1      ARG  19   4.496  -4.172 -12.048
  521   1HH2  ARG  19          1HH2      ARG  19   2.321  -1.795 -10.688
  522   2HH2  ARG  19          2HH2      ARG  19   3.075  -2.377 -12.134
  523    H    LEU  20           H        LEU  20   4.323  -1.514  -3.513
  524    HA   LEU  20           HA       LEU  20   1.861  -2.693  -2.676
  525   1HB   LEU  20          1HB       LEU  20   4.078  -1.215  -1.304
  526   2HB   LEU  20          2HB       LEU  20   2.580  -1.532  -0.450
  527    HG   LEU  20           HG       LEU  20   4.148  -3.747  -1.745
  528   1HD1  LEU  20          1HD1      LEU  20   5.001  -2.142   0.434
  529   2HD1  LEU  20          2HD1      LEU  20   4.538  -3.724   1.063
  530   3HD1  LEU  20          3HD1      LEU  20   5.745  -3.603  -0.217
  531   1HD2  LEU  20          1HD2      LEU  20   1.680  -3.552  -0.340
  532   2HD2  LEU  20          2HD2      LEU  20   2.457  -4.983  -1.019
  533   3HD2  LEU  20          3HD2      LEU  20   2.814  -4.486   0.636
  534    H    GLN  21           H        GLN  21   3.070   0.594  -3.093
  535    HA   GLN  21           HA       GLN  21   0.875   1.948  -1.967
  536   1HB   GLN  21          1HB       GLN  21   3.016   3.049  -2.418
  537   2HB   GLN  21          2HB       GLN  21   2.773   2.841  -4.147
  538   1HG   GLN  21          1HG       GLN  21   0.487   4.155  -3.227
  539   2HG   GLN  21          2HG       GLN  21   1.844   4.925  -2.404
  540   2HE2  GLN  21          2HE2      GLN  21   3.750   5.366  -3.918
  541   1HE2  GLN  21          1HE2      GLN  21   3.351   6.069  -5.444
  542    H    LYS  22           H        LYS  22   1.547   0.873  -5.277
  543    HA   LYS  22           HA       LYS  22  -0.725   2.042  -6.470
  544   1HB   LYS  22          1HB       LYS  22   1.426   0.861  -7.484
  545   2HB   LYS  22          2HB       LYS  22   0.357  -0.535  -7.513
  546   1HG   LYS  22          1HG       LYS  22  -1.106   1.614  -8.585
  547   2HG   LYS  22          2HG       LYS  22   0.497   1.668  -9.321
  548   1HD   LYS  22          1HD       LYS  22  -0.753   0.265 -10.725
  549   2HD   LYS  22          2HD       LYS  22   0.201  -0.837  -9.729
  550   1HE   LYS  22          1HE       LYS  22  -1.885  -1.810  -9.625
  551   2HE   LYS  22          2HE       LYS  22  -1.892  -0.802  -8.178
  552   1HZ   LYS  22          1HZ       LYS  22  -2.910   0.927  -9.841
  553   2HZ   LYS  22          2HZ       LYS  22  -3.367  -0.466 -10.686
  554   3HZ   LYS  22          3HZ       LYS  22  -3.884  -0.236  -9.093
  555    H    GLU  23           H        GLU  23  -0.191  -1.067  -4.902
  556    HA   GLU  23           HA       GLU  23  -2.642  -2.264  -5.611
  557   1HB   GLU  23          1HB       GLU  23  -0.372  -2.968  -4.106
  558   2HB   GLU  23          2HB       GLU  23  -1.740  -3.125  -3.012
  559   1HG   GLU  23          1HG       GLU  23  -2.003  -5.149  -3.888
  560   2HG   GLU  23          2HG       GLU  23  -2.666  -4.320  -5.296
  561    H    ILE  24           H        ILE  24  -1.703  -0.220  -2.884
  562    HA   ILE  24           HA       ILE  24  -4.100  -0.529  -1.422
  563    HB   ILE  24           HB       ILE  24  -3.317   1.020   0.061
  564   1HG1  ILE  24          1HG1      ILE  24  -1.679   2.919  -0.765
  565   2HG1  ILE  24          2HG1      ILE  24  -2.430   2.597  -2.325
  566   1HG2  ILE  24          1HG2      ILE  24  -1.436  -0.631  -0.834
  567   2HG2  ILE  24          2HG2      ILE  24  -0.644   0.904  -1.192
  568   3HG2  ILE  24          3HG2      ILE  24  -1.146   0.537   0.455
  569   1HD1  ILE  24          1HD1      ILE  24  -4.494   2.801  -0.399
  570   2HD1  ILE  24          2HD1      ILE  24  -3.401   4.170  -0.182
  571   3HD1  ILE  24          3HD1      ILE  24  -4.139   3.872  -1.756
  572    H    GLU  25           H        GLU  25  -3.119   1.698  -3.960
  573    HA   GLU  25           HA       GLU  25  -5.291   3.459  -3.857
  574   1HB   GLU  25          1HB       GLU  25  -3.114   2.871  -5.673
  575   2HB   GLU  25          2HB       GLU  25  -4.589   3.233  -6.558
  576   1HG   GLU  25          1HG       GLU  25  -4.787   5.362  -5.503
  577   2HG   GLU  25          2HG       GLU  25  -3.468   4.992  -4.393
  578    H    ARG  26           H        ARG  26  -4.845   0.423  -5.633
  579    HA   ARG  26           HA       ARG  26  -7.208   0.442  -7.107
  580   1HB   ARG  26          1HB       ARG  26  -5.433  -1.200  -7.476
  581   2HB   ARG  26          2HB       ARG  26  -5.749  -1.919  -5.904
  582   1HG   ARG  26          1HG       ARG  26  -8.100  -2.375  -6.759
  583   2HG   ARG  26          2HG       ARG  26  -7.471  -1.977  -8.359
  584   1HD   ARG  26          1HD       ARG  26  -6.516  -4.169  -6.522
  585   2HD   ARG  26          2HD       ARG  26  -7.385  -4.364  -8.044
  586    HE   ARG  26           HE       ARG  26  -5.016  -2.929  -8.515
  587   1HH1  ARG  26          1HH1      ARG  26  -6.093  -6.126  -7.653
  588   2HH1  ARG  26          2HH1      ARG  26  -4.729  -6.920  -8.368
  589   1HH2  ARG  26          1HH2      ARG  26  -3.216  -3.962  -9.460
  590   2HH2  ARG  26          2HH2      ARG  26  -3.093  -5.688  -9.395
  591    H    HIS  27           H        HIS  27  -6.579  -0.920  -3.881
  592    HA   HIS  27           HA       HIS  27  -9.234  -1.771  -3.413
  593   1HB   HIS  27          1HB       HIS  27  -6.745  -1.721  -1.975
  594   2HB   HIS  27          2HB       HIS  27  -8.040  -1.154  -0.925
  595    HD1  HIS  27           HD1      HIS  27 -10.119  -2.853  -0.676
  596    HD2  HIS  27           HD2      HIS  27  -6.631  -4.426  -2.297
  597    HE1  HIS  27           HE1      HIS  27 -10.358  -5.349  -0.489
  598    HE2  HIS  27           HE2      HIS  27  -8.236  -6.283  -1.477
  599    H    LYS  28           H        LYS  28  -7.689   1.311  -3.231
  600    HA   LYS  28           HA       LYS  28  -9.614   2.517  -1.480
  601   1HB   LYS  28          1HB       LYS  28  -7.195   3.259  -1.832
  602   2HB   LYS  28          2HB       LYS  28  -7.745   3.973  -3.341
  603   1HG   LYS  28          1HG       LYS  28  -9.429   4.757  -1.129
  604   2HG   LYS  28          2HG       LYS  28  -7.736   5.162  -0.838
  605   1HD   LYS  28          1HD       LYS  28  -9.179   5.838  -3.393
  606   2HD   LYS  28          2HD       LYS  28  -9.102   6.931  -2.010
  607   1HE   LYS  28          1HE       LYS  28  -6.887   7.376  -2.310
  608   2HE   LYS  28          2HE       LYS  28  -6.549   5.787  -2.995
  609   1HZ   LYS  28          1HZ       LYS  28  -8.203   6.967  -4.816
  610   2HZ   LYS  28          2HZ       LYS  28  -7.195   8.233  -4.322
  611   3HZ   LYS  28          3HZ       LYS  28  -6.523   6.814  -4.951
  612    H    GLN  29           H        GLN  29  -9.328   1.954  -4.878
  613    HA   GLN  29           HA       GLN  29 -11.234   3.953  -5.669
  614   1HB   GLN  29          1HB       GLN  29  -9.439   3.119  -7.176
  615   2HB   GLN  29          2HB       GLN  29 -10.236   1.552  -7.212
  616   1HG   GLN  29          1HG       GLN  29 -12.134   2.457  -8.328
  617   2HG   GLN  29          2HG       GLN  29 -11.548   4.105  -8.104
  618   2HE2  GLN  29          2HE2      GLN  29  -9.345   4.508  -9.079
  619   1HE2  GLN  29          1HE2      GLN  29  -9.058   3.843 -10.647
  620    H    SER  30           H        SER  30 -11.274   0.482  -5.044
  621    HA   SER  30           HA       SER  30 -13.970   0.087  -5.872
  622   1HB   SER  30          1HB       SER  30 -13.717  -2.073  -4.525
  623   2HB   SER  30          2HB       SER  30 -12.590  -1.842  -5.861
  624    HG   SER  30           HG       SER  30 -11.643  -2.545  -3.820
  625    H    ILE  31           H        ILE  31 -12.416   0.804  -2.788
  626    HA   ILE  31           HA       ILE  31 -14.815   0.504  -1.247
  627    HB   ILE  31           HB       ILE  31 -12.654   0.192  -0.195
  628   1HG1  ILE  31          1HG1      ILE  31 -12.922   1.893   1.709
  629   2HG1  ILE  31          2HG1      ILE  31 -14.299   2.510   0.799
  630   1HG2  ILE  31          1HG2      ILE  31 -11.831   2.322  -1.689
  631   2HG2  ILE  31          2HG2      ILE  31 -11.920   3.016  -0.070
  632   3HG2  ILE  31          3HG2      ILE  31 -10.920   1.594  -0.365
  633   1HD1  ILE  31          1HD1      ILE  31 -15.232   0.181   0.853
  634   2HD1  ILE  31          2HD1      ILE  31 -13.945  -0.221   1.988
  635   3HD1  ILE  31          3HD1      ILE  31 -15.141   1.004   2.410
  636    H    LYS  32           H        LYS  32 -13.274   3.085  -2.996
  637    HA   LYS  32           HA       LYS  32 -14.765   5.199  -1.757
  638   1HB   LYS  32          1HB       LYS  32 -12.575   5.629  -2.763
  639   2HB   LYS  32          2HB       LYS  32 -13.191   5.148  -4.338
  640   1HG   LYS  32          1HG       LYS  32 -14.947   7.117  -3.542
  641   2HG   LYS  32          2HG       LYS  32 -13.384   7.693  -2.960
  642   1HD   LYS  32          1HD       LYS  32 -13.285   8.529  -5.072
  643   2HD   LYS  32          2HD       LYS  32 -12.648   6.916  -5.402
  644   1HE   LYS  32          1HE       LYS  32 -14.902   6.172  -6.030
  645   2HE   LYS  32          2HE       LYS  32 -15.514   7.798  -5.732
  646   1HZ   LYS  32          1HZ       LYS  32 -13.330   7.297  -7.661
  647   2HZ   LYS  32          2HZ       LYS  32 -14.955   7.171  -8.115
  648   3HZ   LYS  32          3HZ       LYS  32 -14.348   8.645  -7.548
  649    H    LYS  33           H        LYS  33 -15.205   3.055  -4.458
  650    HA   LYS  33           HA       LYS  33 -17.325   4.577  -5.664
  651   1HB   LYS  33          1HB       LYS  33 -15.915   2.049  -6.203
  652   2HB   LYS  33          2HB       LYS  33 -17.608   2.057  -6.674
  653   1HG   LYS  33          1HG       LYS  33 -16.488   4.490  -7.562
  654   2HG   LYS  33          2HG       LYS  33 -15.372   3.198  -8.010
  655   1HD   LYS  33          1HD       LYS  33 -16.758   3.129  -9.820
  656   2HD   LYS  33          2HD       LYS  33 -17.626   2.019  -8.757
  657   1HE   LYS  33          1HE       LYS  33 -19.190   3.688  -8.143
  658   2HE   LYS  33          2HE       LYS  33 -18.213   4.967  -8.863
  659   1HZ   LYS  33          1HZ       LYS  33 -18.974   2.901 -10.718
  660   2HZ   LYS  33          2HZ       LYS  33 -20.291   3.738 -10.066
  661   3HZ   LYS  33          3HZ       LYS  33 -19.069   4.583 -10.873
  662    H    LEU  34           H        LEU  34 -17.063   1.860  -3.446
  663    HA   LEU  34           HA       LEU  34 -19.854   1.255  -3.435
  664   1HB   LEU  34          1HB       LEU  34 -17.443   0.340  -2.023
  665   2HB   LEU  34          2HB       LEU  34 -18.915   0.251  -1.076
  666    HG   LEU  34           HG       LEU  34 -18.759  -0.936  -3.832
  667   1HD1  LEU  34          1HD1      LEU  34 -17.677  -1.988  -1.270
  668   2HD1  LEU  34          2HD1      LEU  34 -18.474  -3.108  -2.373
  669   3HD1  LEU  34          3HD1      LEU  34 -17.076  -2.181  -2.917
  670   1HD2  LEU  34          1HD2      LEU  34 -20.922  -0.499  -2.422
  671   2HD2  LEU  34          2HD2      LEU  34 -20.713  -2.016  -3.299
  672   3HD2  LEU  34          3HD2      LEU  34 -20.404  -1.951  -1.563
  673    H    LYS  35           H        LYS  35 -17.763   3.383  -1.618
  674    HA   LYS  35           HA       LYS  35 -19.659   3.921   0.462
  675   1HB   LYS  35          1HB       LYS  35 -17.255   4.183   0.844
  676   2HB   LYS  35          2HB       LYS  35 -17.185   5.439  -0.385
  677   1HG   LYS  35          1HG       LYS  35 -19.158   6.282   1.389
  678   2HG   LYS  35          2HG       LYS  35 -17.869   5.632   2.404
  679   1HD   LYS  35          1HD       LYS  35 -17.183   7.463   0.147
  680   2HD   LYS  35          2HD       LYS  35 -17.822   8.137   1.647
  681   1HE   LYS  35          1HE       LYS  35 -15.855   7.905   2.654
  682   2HE   LYS  35          2HE       LYS  35 -15.786   6.196   2.223
  683   1HZ   LYS  35          1HZ       LYS  35 -15.157   8.200   0.173
  684   2HZ   LYS  35          2HZ       LYS  35 -13.996   7.857   1.355
  685   3HZ   LYS  35          3HZ       LYS  35 -14.570   6.623   0.353
  686    H    GLN  36           H        GLN  36 -18.759   5.432  -2.587
  687    HA   GLN  36           HA       GLN  36 -20.336   7.778  -2.203
  688   1HB   GLN  36          1HB       GLN  36 -18.352   7.463  -3.795
  689   2HB   GLN  36          2HB       GLN  36 -19.489   6.661  -4.869
  690   1HG   GLN  36          1HG       GLN  36 -20.538   9.186  -3.966
  691   2HG   GLN  36          2HG       GLN  36 -18.950   9.385  -4.705
  692   2HE2  GLN  36          2HE2      GLN  36 -21.486  10.301  -5.699
  693   1HE2  GLN  36          1HE2      GLN  36 -21.726   9.546  -7.234
  694    H    SER  37           H        SER  37 -20.930   4.587  -3.462
  695    HA   SER  37           HA       SER  37 -23.368   5.215  -4.805
  696   1HB   SER  37          1HB       SER  37 -21.685   2.988  -4.636
  697   2HB   SER  37          2HB       SER  37 -23.202   2.460  -3.910
  698    HG   SER  37           HG       SER  37 -22.641   2.738  -6.477
  699    H    GLU  38           H        GLU  38 -22.496   4.387  -1.539
  700    HA   GLU  38           HA       GLU  38 -25.095   3.647  -0.652
  701   1HB   GLU  38          1HB       GLU  38 -22.736   3.270   0.438
  702   2HB   GLU  38          2HB       GLU  38 -23.050   4.828   1.189
  703   1HG   GLU  38          1HG       GLU  38 -25.183   3.900   2.070
  704   2HG   GLU  38          2HG       GLU  38 -24.700   2.326   1.440
  705    H    ASP  39           H        ASP  39 -23.492   6.671  -1.162
  706    HA   ASP  39           HA       ASP  39 -25.748   8.079   0.107
  707   1HB   ASP  39          1HB       ASP  39 -23.008   8.408   0.537
  708   2HB   ASP  39          2HB       ASP  39 -23.463   9.769  -0.482
  709    H    ASP  40           H        ASP  40 -25.506   6.955  -2.646
  710    HA   ASP  40           HA       ASP  40 -25.673   9.437  -4.214
  711   1HB   ASP  40          1HB       ASP  40 -24.064   7.651  -4.960
  712   2HB   ASP  40          2HB       ASP  40 -25.452   6.610  -5.265
  713    H    ASP  41           H        ASP  41 -27.207   6.214  -4.288
  714    HA   ASP  41           HA       ASP  41 -29.588   7.213  -5.492
  715   1HB   ASP  41          1HB       ASP  41 -28.539   4.616  -4.639
  716   2HB   ASP  41          2HB       ASP  41 -30.278   4.771  -4.413

  No H/Q in entry =         716
  Start of MODEL   15
    1    H1   ALA   1           H1       ALA   1 -28.965  11.173   2.196
    2    H2   ALA   1           H2       ALA   1 -28.097  11.858   0.883
    3    H3   ALA   1           H3       ALA   1 -29.710  11.324   0.657
    4    HA   ALA   1           HA       ALA   1 -29.166   9.206   0.512
    5   1HB   ALA   1          1HB       ALA   1 -27.420   8.985  -0.961
    6   2HB   ALA   1          2HB       ALA   1 -27.701  10.724  -1.042
    7   3HB   ALA   1          3HB       ALA   1 -26.378  10.090  -0.064
    8    H    LEU   2           H        LEU   2 -28.410   7.384   1.496
    9    HA   LEU   2           HA       LEU   2 -26.132   7.066   3.019
   10   1HB   LEU   2          1HB       LEU   2 -27.277   7.069   5.336
   11   2HB   LEU   2          2HB       LEU   2 -26.727   8.588   4.655
   12    HG   LEU   2           HG       LEU   2 -29.407   8.229   3.811
   13   1HD1  LEU   2          1HD1      LEU   2 -29.198   6.666   5.957
   14   2HD1  LEU   2          2HD1      LEU   2 -29.443   8.212   6.770
   15   3HD1  LEU   2          3HD1      LEU   2 -30.638   7.624   5.614
   16   1HD2  LEU   2          1HD2      LEU   2 -27.813  10.107   5.440
   17   2HD2  LEU   2          2HD2      LEU   2 -28.871  10.412   4.063
   18   3HD2  LEU   2          3HD2      LEU   2 -29.561  10.159   5.666
   19    H    LYS   3           H        LYS   3 -25.923   4.947   2.781
   20    HA   LYS   3           HA       LYS   3 -28.282   3.243   3.244
   21   1HB   LYS   3          1HB       LYS   3 -25.977   2.792   1.341
   22   2HB   LYS   3          2HB       LYS   3 -27.257   1.630   1.660
   23   1HG   LYS   3          1HG       LYS   3 -28.236   2.541  -0.128
   24   2HG   LYS   3          2HG       LYS   3 -28.693   3.835   0.982
   25   1HD   LYS   3          1HD       LYS   3 -26.020   4.242  -0.014
   26   2HD   LYS   3          2HD       LYS   3 -27.161   4.058  -1.347
   27   1HE   LYS   3          1HE       LYS   3 -28.597   5.715   0.130
   28   2HE   LYS   3          2HE       LYS   3 -27.009   6.154   0.758
   29   1HZ   LYS   3          1HZ       LYS   3 -27.144   5.993  -2.119
   30   2HZ   LYS   3          2HZ       LYS   3 -28.128   7.198  -1.452
   31   3HZ   LYS   3          3HZ       LYS   3 -26.467   7.188  -1.132
   32    H    LYS   4           H        LYS   4 -27.829   1.087   4.077
   33    HA   LYS   4           HA       LYS   4 -25.637   1.169   6.012
   34   1HB   LYS   4          1HB       LYS   4 -27.805  -0.913   5.929
   35   2HB   LYS   4          2HB       LYS   4 -26.839  -0.389   7.301
   36   1HG   LYS   4          1HG       LYS   4 -29.043   1.139   5.938
   37   2HG   LYS   4          2HG       LYS   4 -29.059   0.449   7.563
   38   1HD   LYS   4          1HD       LYS   4 -27.139   2.592   6.661
   39   2HD   LYS   4          2HD       LYS   4 -28.666   2.919   7.482
   40   1HE   LYS   4          1HE       LYS   4 -27.849   2.323   9.484
   41   2HE   LYS   4          2HE       LYS   4 -26.999   0.927   8.825
   42   1HZ   LYS   4          1HZ       LYS   4 -25.780   3.347   7.980
   43   2HZ   LYS   4          2HZ       LYS   4 -25.887   3.301   9.667
   44   3HZ   LYS   4          3HZ       LYS   4 -25.105   2.053   8.834
   45    H    HIS   5           H        HIS   5 -27.097  -1.109   3.694
   46    HA   HIS   5           HA       HIS   5 -25.282  -3.176   3.893
   47   1HB   HIS   5          1HB       HIS   5 -25.819  -3.455   1.342
   48   2HB   HIS   5          2HB       HIS   5 -27.092  -3.680   2.537
   49    HD1  HIS   5           HD1      HIS   5 -29.175  -2.432   2.079
   50    HD2  HIS   5           HD2      HIS   5 -25.887  -0.674   0.245
   51    HE1  HIS   5           HE1      HIS   5 -30.099  -0.517   0.735
   52    HE2  HIS   5           HE2      HIS   5 -28.091   0.534  -0.368
   53    H    HIS   6           H        HIS   6 -25.046  -0.202   2.001
   54    HA   HIS   6           HA       HIS   6 -22.677  -0.847   0.624
   55   1HB   HIS   6          1HB       HIS   6 -24.372   1.463   0.951
   56   2HB   HIS   6          2HB       HIS   6 -22.682   1.942   1.061
   57    HD1  HIS   6           HD1      HIS   6 -23.730  -0.873  -1.175
   58    HD2  HIS   6           HD2      HIS   6 -22.702   3.143  -1.459
   59    HE1  HIS   6           HE1      HIS   6 -23.428  -0.428  -3.632
   60    HE2  HIS   6           HE2      HIS   6 -22.807   2.009  -3.781
   61    H    GLU   7           H        GLU   7 -23.135   1.146   3.549
   62    HA   GLU   7           HA       GLU   7 -20.479   1.619   4.136
   63   1HB   GLU   7          1HB       GLU   7 -22.937   2.050   5.396
   64   2HB   GLU   7          2HB       GLU   7 -22.001   1.108   6.548
   65   1HG   GLU   7          1HG       GLU   7 -20.145   2.779   6.227
   66   2HG   GLU   7          2HG       GLU   7 -21.304   3.766   5.337
   67    H    ASN   8           H        ASN   8 -22.290  -1.313   4.388
   68    HA   ASN   8           HA       ASN   8 -20.663  -2.640   6.302
   69   1HB   ASN   8          1HB       ASN   8 -22.958  -3.266   4.671
   70   2HB   ASN   8          2HB       ASN   8 -21.786  -4.578   4.588
   71   2HD2  ASN   8          2HD2      ASN   8 -24.140  -2.996   6.470
   72   1HD2  ASN   8          1HD2      ASN   8 -24.005  -3.978   7.885
   73    H    GLU   9           H        GLU   9 -20.902  -3.119   2.760
   74    HA   GLU   9           HA       GLU   9 -18.477  -4.613   2.636
   75   1HB   GLU   9          1HB       GLU   9 -20.045  -3.214   0.463
   76   2HB   GLU   9          2HB       GLU   9 -18.701  -4.309   0.174
   77   1HG   GLU   9          1HG       GLU   9 -20.015  -6.068   1.399
   78   2HG   GLU   9          2HG       GLU   9 -21.382  -4.956   1.363
   79    H    ILE  10           H        ILE  10 -19.070  -1.336   3.036
   80    HA   ILE  10           HA       ILE  10 -16.719  -0.375   1.657
   81    HB   ILE  10           HB       ILE  10 -18.859   0.967   3.311
   82   1HG1  ILE  10          1HG1      ILE  10 -18.203   1.501   0.432
   83   2HG1  ILE  10          2HG1      ILE  10 -19.209   0.127   0.883
   84   1HG2  ILE  10          1HG2      ILE  10 -16.661   2.094   3.618
   85   2HG2  ILE  10          2HG2      ILE  10 -16.623   2.379   1.877
   86   3HG2  ILE  10          3HG2      ILE  10 -17.899   3.096   2.861
   87   1HD1  ILE  10          1HD1      ILE  10 -20.499   2.009   2.230
   88   2HD1  ILE  10          2HD1      ILE  10 -19.794   3.022   0.971
   89   3HD1  ILE  10          3HD1      ILE  10 -20.829   1.663   0.532
   90    H    SER  11           H        SER  11 -17.780  -1.262   4.845
   91    HA   SER  11           HA       SER  11 -15.546  -0.061   6.210
   92   1HB   SER  11          1HB       SER  11 -18.035  -1.258   6.960
   93   2HB   SER  11          2HB       SER  11 -16.737  -2.102   7.803
   94    HG   SER  11           HG       SER  11 -17.624   0.508   8.060
   95    H    HIS  12           H        HIS  12 -16.373  -3.123   4.777
   96    HA   HIS  12           HA       HIS  12 -14.197  -4.563   5.965
   97   1HB   HIS  12          1HB       HIS  12 -15.663  -6.176   5.391
   98   2HB   HIS  12          2HB       HIS  12 -16.473  -5.140   4.229
   99    HD1  HIS  12           HD1      HIS  12 -13.698  -7.667   4.491
  100    HD2  HIS  12           HD2      HIS  12 -15.806  -5.571   1.591
  101    HE1  HIS  12           HE1      HIS  12 -13.061  -8.730   2.301
  102    HE2  HIS  12           HE2      HIS  12 -14.351  -7.447   0.556
  103    H    HIS  13           H        HIS  13 -14.837  -3.158   2.733
  104    HA   HIS  13           HA       HIS  13 -12.301  -3.856   1.672
  105   1HB   HIS  13          1HB       HIS  13 -14.142  -1.595   0.858
  106   2HB   HIS  13          2HB       HIS  13 -12.770  -2.184  -0.072
  107    HD1  HIS  13           HD1      HIS  13 -13.451  -5.262   0.400
  108    HD2  HIS  13           HD2      HIS  13 -16.029  -2.327  -1.005
  109    HE1  HIS  13           HE1      HIS  13 -15.213  -6.490  -0.910
  110    HE2  HIS  13           HE2      HIS  13 -16.767  -4.693  -1.752
  111    H    ALA  14           H        ALA  14 -13.447  -1.279   3.692
  112    HA   ALA  14           HA       ALA  14 -11.342   0.561   3.296
  113   1HB   ALA  14          1HB       ALA  14 -13.491   0.172   5.287
  114   2HB   ALA  14          2HB       ALA  14 -12.093   1.108   5.815
  115   3HB   ALA  14          3HB       ALA  14 -13.013   1.620   4.400
  116    H    LYS  15           H        LYS  15 -11.866  -1.989   5.709
  117    HA   LYS  15           HA       LYS  15  -9.429  -1.612   7.084
  118   1HB   LYS  15          1HB       LYS  15 -11.518  -2.941   7.808
  119   2HB   LYS  15          2HB       LYS  15 -10.845  -4.259   6.858
  120   1HG   LYS  15          1HG       LYS  15  -9.343  -4.767   8.425
  121   2HG   LYS  15          2HG       LYS  15  -8.921  -3.074   8.696
  122   1HD   LYS  15          1HD       LYS  15 -10.044  -3.140  10.613
  123   2HD   LYS  15          2HD       LYS  15 -11.528  -3.429   9.703
  124   1HE   LYS  15          1HE       LYS  15 -10.718  -5.898   9.681
  125   2HE   LYS  15          2HE       LYS  15  -9.702  -5.393  11.030
  126   1HZ   LYS  15          1HZ       LYS  15 -11.740  -4.593  12.144
  127   2HZ   LYS  15          2HZ       LYS  15 -12.664  -5.247  10.886
  128   3HZ   LYS  15          3HZ       LYS  15 -11.743  -6.264  11.877
  129    H    GLU  16           H        GLU  16 -10.257  -3.191   4.117
  130    HA   GLU  16           HA       GLU  16  -7.928  -4.848   3.964
  131   1HB   GLU  16          1HB       GLU  16 -10.167  -4.118   2.144
  132   2HB   GLU  16          2HB       GLU  16  -8.694  -4.735   1.411
  133   1HG   GLU  16          1HG       GLU  16 -10.455  -6.443   1.889
  134   2HG   GLU  16          2HG       GLU  16  -8.866  -6.788   2.570
  135    H    ILE  17           H        ILE  17  -8.794  -1.622   2.837
  136    HA   ILE  17           HA       ILE  17  -6.395  -1.302   1.272
  137    HB   ILE  17           HB       ILE  17  -8.322  -0.075   0.558
  138   1HG1  ILE  17          1HG1      ILE  17  -6.215   1.721   1.774
  139   2HG1  ILE  17          2HG1      ILE  17  -6.279   1.107   0.126
  140   1HG2  ILE  17          1HG2      ILE  17  -8.377   1.025   3.354
  141   2HG2  ILE  17          2HG2      ILE  17  -9.271   1.750   2.017
  142   3HG2  ILE  17          3HG2      ILE  17  -9.622   0.097   2.516
  143   1HD1  ILE  17          1HD1      ILE  17  -8.521   2.425   0.024
  144   2HD1  ILE  17          2HD1      ILE  17  -7.838   3.301   1.394
  145   3HD1  ILE  17          3HD1      ILE  17  -6.983   3.269  -0.147
  146    H    GLU  18           H        GLU  18  -7.334  -0.796   4.565
  147    HA   GLU  18           HA       GLU  18  -5.154   0.998   5.165
  148   1HB   GLU  18          1HB       GLU  18  -7.557   0.196   6.448
  149   2HB   GLU  18          2HB       GLU  18  -6.229  -0.229   7.520
  150   1HG   GLU  18          1HG       GLU  18  -6.433   2.494   6.291
  151   2HG   GLU  18          2HG       GLU  18  -7.298   2.077   7.770
  152    H    ARG  19           H        ARG  19  -5.860  -2.427   5.450
  153    HA   ARG  19           HA       ARG  19  -3.532  -3.047   6.995
  154   1HB   ARG  19          1HB       ARG  19  -5.727  -4.406   6.756
  155   2HB   ARG  19          2HB       ARG  19  -5.006  -5.024   5.276
  156   1HG   ARG  19          1HG       ARG  19  -3.356  -6.174   6.398
  157   2HG   ARG  19          2HG       ARG  19  -3.469  -5.147   7.830
  158   1HD   ARG  19          1HD       ARG  19  -5.477  -6.178   8.527
  159   2HD   ARG  19          2HD       ARG  19  -5.701  -6.967   6.966
  160    HE   ARG  19           HE       ARG  19  -4.053  -7.866   9.151
  161   1HH1  ARG  19          1HH1      ARG  19  -4.642  -8.043   5.724
  162   2HH1  ARG  19          2HH1      ARG  19  -3.872  -9.584   5.540
  163   1HH2  ARG  19          1HH2      ARG  19  -3.037  -9.895   8.920
  164   2HH2  ARG  19          2HH2      ARG  19  -2.960 -10.637   7.358
  165    H    LEU  20           H        LEU  20  -4.390  -3.101   3.573
  166    HA   LEU  20           HA       LEU  20  -1.994  -4.318   2.672
  167   1HB   LEU  20          1HB       LEU  20  -4.394  -3.538   1.528
  168   2HB   LEU  20          2HB       LEU  20  -3.225  -2.466   0.786
  169    HG   LEU  20           HG       LEU  20  -3.364  -4.284  -0.681
  170   1HD1  LEU  20          1HD1      LEU  20  -0.996  -3.743   0.601
  171   2HD1  LEU  20          2HD1      LEU  20  -1.103  -5.501   0.689
  172   3HD1  LEU  20          3HD1      LEU  20  -1.180  -4.690  -0.876
  173   1HD2  LEU  20          1HD2      LEU  20  -4.523  -5.691   1.174
  174   2HD2  LEU  20          2HD2      LEU  20  -3.650  -6.505  -0.125
  175   3HD2  LEU  20          3HD2      LEU  20  -2.898  -6.315   1.459
  176    H    GLN  21           H        GLN  21  -3.013  -0.973   3.160
  177    HA   GLN  21           HA       GLN  21  -0.759   0.262   1.998
  178   1HB   GLN  21          1HB       GLN  21  -2.771   1.532   2.430
  179   2HB   GLN  21          2HB       GLN  21  -2.647   1.219   4.156
  180   1HG   GLN  21          1HG       GLN  21  -0.664   2.567   4.309
  181   2HG   GLN  21          2HG       GLN  21  -0.632   2.783   2.560
  182   2HE2  GLN  21          2HE2      GLN  21  -3.337   2.937   4.829
  183   1HE2  GLN  21          1HE2      GLN  21  -3.769   4.572   4.479
  184    H    LYS  22           H        LYS  22  -1.417  -0.949   5.235
  185    HA   LYS  22           HA       LYS  22   0.813   0.145   6.541
  186   1HB   LYS  22          1HB       LYS  22  -1.297  -1.217   7.411
  187   2HB   LYS  22          2HB       LYS  22  -0.169  -2.562   7.316
  188   1HG   LYS  22          1HG       LYS  22   1.008  -0.268   8.629
  189   2HG   LYS  22          2HG       LYS  22  -0.475  -0.800   9.424
  190   1HD   LYS  22          1HD       LYS  22   0.862  -2.276  10.462
  191   2HD   LYS  22          2HD       LYS  22   0.769  -3.176   8.946
  192   1HE   LYS  22          1HE       LYS  22   2.785  -1.777   8.214
  193   2HE   LYS  22          2HE       LYS  22   2.947  -1.352   9.918
  194   1HZ   LYS  22          1HZ       LYS  22   3.000  -3.793  10.377
  195   2HZ   LYS  22          2HZ       LYS  22   3.114  -4.054   8.710
  196   3HZ   LYS  22          3HZ       LYS  22   4.335  -3.207   9.520
  197    H    GLU  23           H        GLU  23   0.374  -2.938   4.848
  198    HA   GLU  23           HA       GLU  23   2.879  -4.050   5.390
  199   1HB   GLU  23          1HB       GLU  23   0.822  -4.432   3.267
  200   2HB   GLU  23          2HB       GLU  23   2.412  -5.136   3.010
  201   1HG   GLU  23          1HG       GLU  23   2.071  -6.755   4.508
  202   2HG   GLU  23          2HG       GLU  23   1.299  -5.664   5.658
  203    H    ILE  24           H        ILE  24   1.838  -1.982   2.694
  204    HA   ILE  24           HA       ILE  24   4.293  -2.010   1.323
  205    HB   ILE  24           HB       ILE  24   3.434  -0.471  -0.123
  206   1HG1  ILE  24          1HG1      ILE  24   1.613   1.257   0.781
  207   2HG1  ILE  24          2HG1      ILE  24   2.458   0.964   2.299
  208   1HG2  ILE  24          1HG2      ILE  24   1.700  -2.289   0.485
  209   2HG2  ILE  24          2HG2      ILE  24   0.785  -0.940   1.159
  210   3HG2  ILE  24          3HG2      ILE  24   1.224  -0.940  -0.547
  211   1HD1  ILE  24          1HD1      ILE  24   4.392   1.392   0.265
  212   2HD1  ILE  24          2HD1      ILE  24   3.189   2.681   0.185
  213   3HD1  ILE  24          3HD1      ILE  24   4.048   2.371   1.693
  214    H    GLU  25           H        GLU  25   3.104  -0.084   3.988
  215    HA   GLU  25           HA       GLU  25   5.060   1.913   4.042
  216   1HB   GLU  25          1HB       GLU  25   2.861   1.367   5.528
  217   2HB   GLU  25          2HB       GLU  25   4.124   0.890   6.655
  218   1HG   GLU  25          1HG       GLU  25   4.690   3.000   7.084
  219   2HG   GLU  25          2HG       GLU  25   4.638   3.456   5.382
  220    H    ARG  26           H        ARG  26   5.003  -1.318   5.490
  221    HA   ARG  26           HA       ARG  26   7.394  -1.158   6.930
  222   1HB   ARG  26          1HB       ARG  26   5.605  -3.013   6.933
  223   2HB   ARG  26          2HB       ARG  26   6.468  -3.668   5.549
  224   1HG   ARG  26          1HG       ARG  26   8.519  -3.364   7.248
  225   2HG   ARG  26          2HG       ARG  26   7.208  -3.624   8.400
  226   1HD   ARG  26          1HD       ARG  26   6.795  -5.759   7.656
  227   2HD   ARG  26          2HD       ARG  26   7.436  -5.435   6.046
  228    HE   ARG  26           HE       ARG  26   9.524  -6.025   6.790
  229   1HH1  ARG  26          1HH1      ARG  26   7.414  -5.556   9.519
  230   2HH1  ARG  26          2HH1      ARG  26   8.544  -6.189  10.668
  231   1HH2  ARG  26          1HH2      ARG  26  11.021  -6.862   8.294
  232   2HH2  ARG  26          2HH2      ARG  26  10.596  -6.932   9.972
  233    H    HIS  27           H        HIS  27   6.793  -2.342   3.626
  234    HA   HIS  27           HA       HIS  27   9.483  -2.887   3.001
  235   1HB   HIS  27          1HB       HIS  27   6.946  -2.783   1.592
  236   2HB   HIS  27          2HB       HIS  27   8.259  -2.160   0.599
  237    HD1  HIS  27           HD1      HIS  27  10.453  -3.888   0.597
  238    HD2  HIS  27           HD2      HIS  27   6.698  -5.466   1.422
  239    HE1  HIS  27           HE1      HIS  27  10.656  -6.358   0.176
  240    HE2  HIS  27           HE2      HIS  27   8.371  -7.295   0.682
  241    H    LYS  28           H        LYS  28   7.700   0.061   3.189
  242    HA   LYS  28           HA       LYS  28   9.480   1.606   1.545
  243   1HB   LYS  28          1HB       LYS  28   7.117   2.234   1.807
  244   2HB   LYS  28          2HB       LYS  28   7.371   2.484   3.528
  245   1HG   LYS  28          1HG       LYS  28   9.047   4.248   2.932
  246   2HG   LYS  28          2HG       LYS  28   8.522   4.080   1.256
  247   1HD   LYS  28          1HD       LYS  28   6.954   5.599   1.721
  248   2HD   LYS  28          2HD       LYS  28   6.158   4.347   2.678
  249   1HE   LYS  28          1HE       LYS  28   7.602   5.080   4.613
  250   2HE   LYS  28          2HE       LYS  28   8.079   6.462   3.626
  251   1HZ   LYS  28          1HZ       LYS  28   5.226   5.882   4.077
  252   2HZ   LYS  28          2HZ       LYS  28   6.119   6.700   5.258
  253   3HZ   LYS  28          3HZ       LYS  28   5.969   7.356   3.706
  254    H    GLN  29           H        GLN  29   9.251   0.722   4.897
  255    HA   GLN  29           HA       GLN  29  10.991   2.764   5.881
  256   1HB   GLN  29          1HB       GLN  29   9.258   1.152   7.110
  257   2HB   GLN  29          2HB       GLN  29  10.705   0.178   7.331
  258   1HG   GLN  29          1HG       GLN  29  11.510   1.533   8.902
  259   2HG   GLN  29          2HG       GLN  29  11.108   2.984   7.987
  260   2HE2  GLN  29          2HE2      GLN  29   8.980   0.417   9.139
  261   1HE2  GLN  29          1HE2      GLN  29   8.019   1.424  10.160
  262    H    SER  30           H        SER  30  11.383  -0.558   4.791
  263    HA   SER  30           HA       SER  30  14.121  -0.779   5.549
  264   1HB   SER  30          1HB       SER  30  14.126  -2.846   4.333
  265   2HB   SER  30          2HB       SER  30  12.557  -2.714   5.126
  266    HG   SER  30           HG       SER  30  12.470  -3.362   2.884
  267    H    ILE  31           H        ILE  31  12.463   0.010   2.509
  268    HA   ILE  31           HA       ILE  31  14.894   0.280   1.028
  269    HB   ILE  31           HB       ILE  31  12.647  -0.279   0.064
  270   1HG1  ILE  31          1HG1      ILE  31  14.823   1.032  -1.028
  271   2HG1  ILE  31          2HG1      ILE  31  13.540   0.239  -1.924
  272   1HG2  ILE  31          1HG2      ILE  31  11.445   1.523   1.329
  273   2HG2  ILE  31          2HG2      ILE  31  12.108   2.676   0.169
  274   3HG2  ILE  31          3HG2      ILE  31  11.032   1.390  -0.380
  275   1HD1  ILE  31          1HD1      ILE  31  13.449   3.141  -1.155
  276   2HD1  ILE  31          2HD1      ILE  31  14.137   2.553  -2.669
  277   3HD1  ILE  31          3HD1      ILE  31  12.429   2.289  -2.315
  278    H    LYS  32           H        LYS  32  13.029   2.364   3.058
  279    HA   LYS  32           HA       LYS  32  14.175   4.804   2.012
  280   1HB   LYS  32          1HB       LYS  32  11.886   4.735   2.983
  281   2HB   LYS  32          2HB       LYS  32  12.592   4.377   4.553
  282   1HG   LYS  32          1HG       LYS  32  13.899   6.554   4.255
  283   2HG   LYS  32          2HG       LYS  32  12.763   6.906   2.955
  284   1HD   LYS  32          1HD       LYS  32  12.201   6.547   5.887
  285   2HD   LYS  32          2HD       LYS  32  11.885   7.955   4.876
  286   1HE   LYS  32          1HE       LYS  32  10.317   6.367   3.567
  287   2HE   LYS  32          2HE       LYS  32  10.411   5.350   5.004
  288   1HZ   LYS  32          1HZ       LYS  32   9.882   7.757   6.065
  289   2HZ   LYS  32          2HZ       LYS  32   9.030   7.856   4.608
  290   3HZ   LYS  32          3HZ       LYS  32   8.704   6.600   5.693
  291    H    LYS  33           H        LYS  33  14.868   2.474   4.475
  292    HA   LYS  33           HA       LYS  33  16.633   4.138   5.999
  293   1HB   LYS  33          1HB       LYS  33  15.428   1.648   6.358
  294   2HB   LYS  33          2HB       LYS  33  17.144   1.286   6.232
  295   1HG   LYS  33          1HG       LYS  33  17.007   1.641   8.467
  296   2HG   LYS  33          2HG       LYS  33  17.324   3.295   7.942
  297   1HD   LYS  33          1HD       LYS  33  15.380   3.978   8.780
  298   2HD   LYS  33          2HD       LYS  33  14.508   2.771   7.830
  299   1HE   LYS  33          1HE       LYS  33  15.505   1.191   9.754
  300   2HE   LYS  33          2HE       LYS  33  15.385   2.704  10.653
  301   1HZ   LYS  33          1HZ       LYS  33  13.009   2.691   9.529
  302   2HZ   LYS  33          2HZ       LYS  33  13.268   1.019   9.561
  303   3HZ   LYS  33          3HZ       LYS  33  13.309   1.907  11.000
  304    H    LEU  34           H        LEU  34  17.002   1.704   3.460
  305    HA   LEU  34           HA       LEU  34  19.860   1.776   3.484
  306   1HB   LEU  34          1HB       LEU  34  17.790   0.632   1.646
  307   2HB   LEU  34          2HB       LEU  34  19.468   0.694   1.143
  308    HG   LEU  34           HG       LEU  34  18.687  -0.591   3.742
  309   1HD1  LEU  34          1HD1      LEU  34  18.348  -1.630   0.981
  310   2HD1  LEU  34          2HD1      LEU  34  18.957  -2.731   2.216
  311   3HD1  LEU  34          3HD1      LEU  34  17.397  -1.938   2.434
  312   1HD2  LEU  34          1HD2      LEU  34  21.053  -0.671   1.901
  313   2HD2  LEU  34          2HD2      LEU  34  20.999  -0.287   3.621
  314   3HD2  LEU  34          3HD2      LEU  34  20.760  -1.948   3.080
  315    H    LYS  35           H        LYS  35  17.332   3.408   1.661
  316    HA   LYS  35           HA       LYS  35  19.149   4.666  -0.171
  317   1HB   LYS  35          1HB       LYS  35  16.860   4.247  -0.856
  318   2HB   LYS  35          2HB       LYS  35  16.248   5.221   0.474
  319   1HG   LYS  35          1HG       LYS  35  17.986   6.898  -0.922
  320   2HG   LYS  35          2HG       LYS  35  17.076   6.027  -2.158
  321   1HD   LYS  35          1HD       LYS  35  15.872   7.524   0.169
  322   2HD   LYS  35          2HD       LYS  35  15.968   8.119  -1.489
  323   1HE   LYS  35          1HE       LYS  35  14.807   5.598  -1.701
  324   2HE   LYS  35          2HE       LYS  35  14.055   6.321  -0.279
  325   1HZ   LYS  35          1HZ       LYS  35  13.718   8.344  -1.769
  326   2HZ   LYS  35          2HZ       LYS  35  14.041   7.304  -3.064
  327   3HZ   LYS  35          3HZ       LYS  35  12.727   7.000  -2.044
  328    H    GLN  36           H        GLN  36  17.865   5.384   2.964
  329    HA   GLN  36           HA       GLN  36  18.479   8.189   2.889
  330   1HB   GLN  36          1HB       GLN  36  17.541   6.267   4.981
  331   2HB   GLN  36          2HB       GLN  36  18.198   7.818   5.482
  332   1HG   GLN  36          1HG       GLN  36  16.217   8.005   3.344
  333   2HG   GLN  36          2HG       GLN  36  15.595   7.331   4.850
  334   2HE2  GLN  36          2HE2      GLN  36  14.293   9.286   4.866
  335   1HE2  GLN  36          1HE2      GLN  36  14.964  10.738   5.517
  336    H    SER  37           H        SER  37  20.102   5.254   3.852
  337    HA   SER  37           HA       SER  37  22.179   6.478   5.358
  338   1HB   SER  37          1HB       SER  37  22.047   3.795   3.961
  339   2HB   SER  37          2HB       SER  37  23.351   4.289   5.040
  340    HG   SER  37           HG       SER  37  21.822   4.472   6.707
  341    H    GLU  38           H        GLU  38  21.676   5.842   1.965
  342    HA   GLU  38           HA       GLU  38  24.335   6.136   1.079
  343   1HB   GLU  38          1HB       GLU  38  22.540   5.181  -0.311
  344   2HB   GLU  38          2HB       GLU  38  21.766   6.758  -0.391
  345   1HG   GLU  38          1HG       GLU  38  24.587   6.548  -1.282
  346   2HG   GLU  38          2HG       GLU  38  23.334   5.863  -2.316
  347    H    ASP  39           H        ASP  39  21.807   8.449   1.814
  348    HA   ASP  39           HA       ASP  39  23.775  10.594   1.710
  349   1HB   ASP  39          1HB       ASP  39  22.173  12.058   0.443
  350   2HB   ASP  39          2HB       ASP  39  22.865  10.745  -0.504
  351    H    ASP  40           H        ASP  40  22.917   9.598   4.010
  352    HA   ASP  40           HA       ASP  40  20.546  10.409   5.141
  353   1HB   ASP  40          1HB       ASP  40  22.316   8.996   6.229
  354   2HB   ASP  40          2HB       ASP  40  23.219  10.472   6.553
  355    H    ASP  41           H        ASP  41  19.742  12.250   6.049
  356    HA   ASP  41           HA       ASP  41  19.396  14.494   6.251
  357   1HB   ASP  41          1HB       ASP  41  21.382  13.872   7.902
  358   2HB   ASP  41          2HB       ASP  41  22.290  14.933   6.829
  359    H1   ALA   1           H1       ALA   1  28.967  11.174  -2.206
  360    H2   ALA   1           H2       ALA   1  28.098  11.861  -0.895
  361    H3   ALA   1           H3       ALA   1  29.711  11.325  -0.668
  362    HA   ALA   1           HA       ALA   1  29.166   9.208  -0.521
  363   1HB   ALA   1          1HB       ALA   1  26.379  10.093   0.054
  364   2HB   ALA   1          2HB       ALA   1  27.702  10.729   1.031
  365   3HB   ALA   1          3HB       ALA   1  27.421   8.990   0.954
  366    H    LEU   2           H        LEU   2  28.415   7.387  -1.507
  367    HA   LEU   2           HA       LEU   2  26.135   7.066  -3.027
  368   1HB   LEU   2          1HB       LEU   2  27.280   7.067  -5.344
  369   2HB   LEU   2          2HB       LEU   2  26.726   8.586  -4.665
  370    HG   LEU   2           HG       LEU   2  29.408   8.233  -3.822
  371   1HD1  LEU   2          1HD1      LEU   2  29.198   6.669  -5.968
  372   2HD1  LEU   2          2HD1      LEU   2  29.442   8.215  -6.781
  373   3HD1  LEU   2          3HD1      LEU   2  30.638   7.627  -5.625
  374   1HD2  LEU   2          1HD2      LEU   2  27.810  10.106  -5.451
  375   2HD2  LEU   2          2HD2      LEU   2  28.868  10.414  -4.074
  376   3HD2  LEU   2          3HD2      LEU   2  29.558  10.162  -5.678
  377    H    LYS   3           H        LYS   3  25.925   4.949  -2.791
  378    HA   LYS   3           HA       LYS   3  28.284   3.244  -3.252
  379   1HB   LYS   3          1HB       LYS   3  25.977   2.794  -1.351
  380   2HB   LYS   3          2HB       LYS   3  27.257   1.631  -1.668
  381   1HG   LYS   3          1HG       LYS   3  28.236   2.542   0.120
  382   2HG   LYS   3          2HG       LYS   3  28.694   3.836  -0.991
  383   1HD   LYS   3          1HD       LYS   3  26.020   4.244   0.004
  384   2HD   LYS   3          2HD       LYS   3  27.160   4.060   1.338
  385   1HE   LYS   3          1HE       LYS   3  28.599   5.715  -0.137
  386   2HE   LYS   3          2HE       LYS   3  27.012   6.155  -0.768
  387   1HZ   LYS   3          1HZ       LYS   3  27.146   5.995   2.110
  388   2HZ   LYS   3          2HZ       LYS   3  28.127   7.200   1.444
  389   3HZ   LYS   3          3HZ       LYS   3  26.465   7.188   1.123
  390    H    LYS   4           H        LYS   4  27.829   1.087  -4.086
  391    HA   LYS   4           HA       LYS   4  25.636   1.171  -6.021
  392   1HB   LYS   4          1HB       LYS   4  27.804  -0.911  -5.937
  393   2HB   LYS   4          2HB       LYS   4  26.838  -0.387  -7.311
  394   1HG   LYS   4          1HG       LYS   4  29.042   1.141  -5.947
  395   2HG   LYS   4          2HG       LYS   4  29.059   0.451  -7.572
  396   1HD   LYS   4          1HD       LYS   4  27.139   2.593  -6.669
  397   2HD   LYS   4          2HD       LYS   4  28.665   2.921  -7.492
  398   1HE   LYS   4          1HE       LYS   4  27.848   2.324  -9.494
  399   2HE   LYS   4          2HE       LYS   4  26.997   0.928  -8.833
  400   1HZ   LYS   4          1HZ       LYS   4  25.779   3.348  -7.988
  401   2HZ   LYS   4          2HZ       LYS   4  25.885   3.303  -9.675
  402   3HZ   LYS   4          3HZ       LYS   4  25.103   2.054  -8.843
  403    H    HIS   5           H        HIS   5  27.097  -1.107  -3.703
  404    HA   HIS   5           HA       HIS   5  25.282  -3.173  -3.901
  405   1HB   HIS   5          1HB       HIS   5  25.821  -3.454  -1.350
  406   2HB   HIS   5          2HB       HIS   5  27.092  -3.677  -2.547
  407    HD1  HIS   5           HD1      HIS   5  29.175  -2.427  -2.090
  408    HD2  HIS   5           HD2      HIS   5  25.888  -0.673  -0.253
  409    HE1  HIS   5           HE1      HIS   5  30.099  -0.513  -0.745
  410    HE2  HIS   5           HE2      HIS   5  28.091   0.535   0.358
  411    H    HIS   6           H        HIS   6  25.047  -0.200  -2.010
  412    HA   HIS   6           HA       HIS   6  22.679  -0.845  -0.631
  413   1HB   HIS   6          1HB       HIS   6  24.374   1.465  -0.957
  414   2HB   HIS   6          2HB       HIS   6  22.684   1.945  -1.068
  415    HD1  HIS   6           HD1      HIS   6  23.740  -0.869   1.169
  416    HD2  HIS   6           HD2      HIS   6  22.696   3.143   1.452
  417    HE1  HIS   6           HE1      HIS   6  23.437  -0.425   3.626
  418    HE2  HIS   6           HE2      HIS   6  22.807   2.010   3.775
  419    H    GLU   7           H        GLU   7  23.136   1.147  -3.557
  420    HA   GLU   7           HA       GLU   7  20.480   1.621  -4.141
  421   1HB   GLU   7          1HB       GLU   7  22.937   2.052  -5.403
  422   2HB   GLU   7          2HB       GLU   7  22.001   1.110  -6.554
  423   1HG   GLU   7          1HG       GLU   7  20.143   2.780  -6.232
  424   2HG   GLU   7          2HG       GLU   7  21.302   3.767  -5.344
  425    H    ASN   8           H        ASN   8  22.291  -1.312  -4.393
  426    HA   ASN   8           HA       ASN   8  20.662  -2.638  -6.306
  427   1HB   ASN   8          1HB       ASN   8  22.957  -3.265  -4.677
  428   2HB   ASN   8          2HB       ASN   8  21.786  -4.577  -4.594
  429   2HD2  ASN   8          2HD2      ASN   8  24.139  -2.994  -6.477
  430   1HD2  ASN   8          1HD2      ASN   8  24.004  -3.977  -7.892
  431    H    GLU   9           H        GLU   9  20.904  -3.119  -2.765
  432    HA   GLU   9           HA       GLU   9  18.477  -4.613  -2.640
  433   1HB   GLU   9          1HB       GLU   9  20.048  -3.215  -0.468
  434   2HB   GLU   9          2HB       GLU   9  18.703  -4.309  -0.178
  435   1HG   GLU   9          1HG       GLU   9  20.011  -6.071  -1.402
  436   2HG   GLU   9          2HG       GLU   9  21.382  -4.960  -1.369
  437    H    ILE  10           H        ILE  10  19.071  -1.336  -3.039
  438    HA   ILE  10           HA       ILE  10  16.721  -0.374  -1.659
  439    HB   ILE  10           HB       ILE  10  18.861   0.967  -3.313
  440   1HG1  ILE  10          1HG1      ILE  10  18.205   1.501  -0.435
  441   2HG1  ILE  10          2HG1      ILE  10  19.211   0.127  -0.885
  442   1HG2  ILE  10          1HG2      ILE  10  16.664   2.095  -3.620
  443   2HG2  ILE  10          2HG2      ILE  10  16.626   2.380  -1.879
  444   3HG2  ILE  10          3HG2      ILE  10  17.902   3.097  -2.863
  445   1HD1  ILE  10          1HD1      ILE  10  20.499   2.010  -2.234
  446   2HD1  ILE  10          2HD1      ILE  10  19.797   3.021  -0.974
  447   3HD1  ILE  10          3HD1      ILE  10  20.832   1.663  -0.537
  448    H    SER  11           H        SER  11  17.780  -1.260  -4.849
  449    HA   SER  11           HA       SER  11  15.545  -0.058  -6.210
  450   1HB   SER  11          1HB       SER  11  18.034  -1.253  -6.964
  451   2HB   SER  11          2HB       SER  11  16.734  -2.097  -7.806
  452    HG   SER  11           HG       SER  11  17.623   0.510  -8.067
  453    H    HIS  12           H        HIS  12  16.372  -3.120  -4.780
  454    HA   HIS  12           HA       HIS  12  14.197  -4.560  -5.968
  455   1HB   HIS  12          1HB       HIS  12  15.663  -6.173  -5.393
  456   2HB   HIS  12          2HB       HIS  12  16.474  -5.136  -4.232
  457    HD1  HIS  12           HD1      HIS  12  13.698  -7.664  -4.492
  458    HD2  HIS  12           HD2      HIS  12  15.807  -5.569  -1.594
  459    HE1  HIS  12           HE1      HIS  12  13.062  -8.727  -2.303
  460    HE2  HIS  12           HE2      HIS  12  14.353  -7.446  -0.559
  461    H    HIS  13           H        HIS  13  14.837  -3.157  -2.736
  462    HA   HIS  13           HA       HIS  13  12.302  -3.855  -1.673
  463   1HB   HIS  13          1HB       HIS  13  14.142  -1.591  -0.863
  464   2HB   HIS  13          2HB       HIS  13  12.771  -2.179   0.069
  465    HD1  HIS  13           HD1      HIS  13  13.454  -5.259  -0.405
  466    HD2  HIS  13           HD2      HIS  13  16.027  -2.320   1.005
  467    HE1  HIS  13           HE1      HIS  13  15.217  -6.485   0.908
  468    HE2  HIS  13           HE2      HIS  13  16.769  -4.686   1.750
  469    H    ALA  14           H        ALA  14  13.447  -1.275  -3.692
  470    HA   ALA  14           HA       ALA  14  11.340   0.563  -3.297
  471   1HB   ALA  14          1HB       ALA  14  13.488   0.174  -5.289
  472   2HB   ALA  14          2HB       ALA  14  13.009   1.623  -4.403
  473   3HB   ALA  14          3HB       ALA  14  12.089   1.108  -5.818
  474    H    LYS  15           H        LYS  15  11.865  -1.985  -5.713
  475    HA   LYS  15           HA       LYS  15   9.427  -1.611  -7.085
  476   1HB   LYS  15          1HB       LYS  15  11.516  -2.938  -7.811
  477   2HB   LYS  15          2HB       LYS  15  10.845  -4.257  -6.862
  478   1HG   LYS  15          1HG       LYS  15   9.341  -4.764  -8.427
  479   2HG   LYS  15          2HG       LYS  15   8.919  -3.072  -8.699
  480   1HD   LYS  15          1HD       LYS  15  10.042  -3.138 -10.616
  481   2HD   LYS  15          2HD       LYS  15  11.526  -3.428  -9.706
  482   1HE   LYS  15          1HE       LYS  15  10.717  -5.896  -9.684
  483   2HE   LYS  15          2HE       LYS  15   9.699  -5.392 -11.032
  484   1HZ   LYS  15          1HZ       LYS  15  11.737  -4.592 -12.146
  485   2HZ   LYS  15          2HZ       LYS  15  12.661  -5.246 -10.889
  486   3HZ   LYS  15          3HZ       LYS  15  11.740  -6.262 -11.880
  487    H    GLU  16           H        GLU  16  10.257  -3.190  -4.119
  488    HA   GLU  16           HA       GLU  16   7.927  -4.847  -3.967
  489   1HB   GLU  16          1HB       GLU  16  10.166  -4.117  -2.146
  490   2HB   GLU  16          2HB       GLU  16   8.692  -4.737  -1.414
  491   1HG   GLU  16          1HG       GLU  16  10.455  -6.443  -1.894
  492   2HG   GLU  16          2HG       GLU  16   8.865  -6.788  -2.572
  493    H    ILE  17           H        ILE  17   8.792  -1.622  -2.835
  494    HA   ILE  17           HA       ILE  17   6.393  -1.305  -1.271
  495    HB   ILE  17           HB       ILE  17   8.320  -0.076  -0.557
  496   1HG1  ILE  17          1HG1      ILE  17   6.211   1.719  -1.771
  497   2HG1  ILE  17          2HG1      ILE  17   6.278   1.105  -0.123
  498   1HG2  ILE  17          1HG2      ILE  17   8.375   1.023  -3.352
  499   2HG2  ILE  17          2HG2      ILE  17   9.268   1.750  -2.015
  500   3HG2  ILE  17          3HG2      ILE  17   9.621   0.097  -2.513
  501   1HD1  ILE  17          1HD1      ILE  17   8.519   2.425  -0.023
  502   2HD1  ILE  17          2HD1      ILE  17   7.835   3.300  -1.394
  503   3HD1  ILE  17          3HD1      ILE  17   6.980   3.268   0.148
  504    H    GLU  18           H        GLU  18   7.333  -0.793  -4.564
  505    HA   GLU  18           HA       GLU  18   5.153   1.000  -5.163
  506   1HB   GLU  18          1HB       GLU  18   7.556   0.199  -6.445
  507   2HB   GLU  18          2HB       GLU  18   6.229  -0.227  -7.518
  508   1HG   GLU  18          1HG       GLU  18   6.430   2.496  -6.290
  509   2HG   GLU  18          2HG       GLU  18   7.297   2.080  -7.768
  510    H    ARG  19           H        ARG  19   5.859  -2.426  -5.452
  511    HA   ARG  19           HA       ARG  19   3.531  -3.045  -6.996
  512   1HB   ARG  19          1HB       ARG  19   5.725  -4.404  -6.758
  513   2HB   ARG  19          2HB       ARG  19   5.006  -5.022  -5.277
  514   1HG   ARG  19          1HG       ARG  19   3.354  -6.172  -6.399
  515   2HG   ARG  19          2HG       ARG  19   3.468  -5.146  -7.830
  516   1HD   ARG  19          1HD       ARG  19   5.476  -6.176  -8.528
  517   2HD   ARG  19          2HD       ARG  19   5.700  -6.965  -6.968
  518    HE   ARG  19           HE       ARG  19   4.051  -7.864  -9.152
  519   1HH1  ARG  19          1HH1      ARG  19   4.640  -8.042  -5.724
  520   2HH1  ARG  19          2HH1      ARG  19   3.872  -9.584  -5.542
  521   1HH2  ARG  19          1HH2      ARG  19   3.038  -9.895  -8.923
  522   2HH2  ARG  19          2HH2      ARG  19   2.962 -10.637  -7.360
  523    H    LEU  20           H        LEU  20   4.389  -3.100  -3.575
  524    HA   LEU  20           HA       LEU  20   1.993  -4.316  -2.673
  525   1HB   LEU  20          1HB       LEU  20   4.393  -3.535  -1.530
  526   2HB   LEU  20          2HB       LEU  20   3.223  -2.466  -0.786
  527    HG   LEU  20           HG       LEU  20   3.365  -4.285   0.678
  528   1HD1  LEU  20          1HD1      LEU  20   0.995  -3.744  -0.602
  529   2HD1  LEU  20          2HD1      LEU  20   1.104  -5.502  -0.688
  530   3HD1  LEU  20          3HD1      LEU  20   1.183  -4.690   0.875
  531   1HD2  LEU  20          1HD2      LEU  20   4.524  -5.690  -1.179
  532   2HD2  LEU  20          2HD2      LEU  20   3.652  -6.505   0.120
  533   3HD2  LEU  20          3HD2      LEU  20   2.898  -6.314  -1.463
  534    H    GLN  21           H        GLN  21   3.010  -0.973  -3.165
  535    HA   GLN  21           HA       GLN  21   0.756   0.261  -2.000
  536   1HB   GLN  21          1HB       GLN  21   2.767   1.532  -2.429
  537   2HB   GLN  21          2HB       GLN  21   2.645   1.220  -4.156
  538   1HG   GLN  21          1HG       GLN  21   0.660   2.567  -4.309
  539   2HG   GLN  21          2HG       GLN  21   0.629   2.783  -2.560
  540   2HE2  GLN  21          2HE2      GLN  21   3.334   2.937  -4.830
  541   1HE2  GLN  21          1HE2      GLN  21   3.765   4.573  -4.481
  542    H    LYS  22           H        LYS  22   1.415  -0.951  -5.237
  543    HA   LYS  22           HA       LYS  22  -0.813   0.145  -6.545
  544   1HB   LYS  22          1HB       LYS  22   1.296  -1.218  -7.413
  545   2HB   LYS  22          2HB       LYS  22   0.167  -2.563  -7.318
  546   1HG   LYS  22          1HG       LYS  22  -1.008  -0.269  -8.632
  547   2HG   LYS  22          2HG       LYS  22   0.475  -0.801  -9.427
  548   1HD   LYS  22          1HD       LYS  22  -0.863  -2.276 -10.465
  549   2HD   LYS  22          2HD       LYS  22  -0.769  -3.176  -8.949
  550   1HE   LYS  22          1HE       LYS  22  -2.786  -1.777  -8.217
  551   2HE   LYS  22          2HE       LYS  22  -2.949  -1.352  -9.920
  552   1HZ   LYS  22          1HZ       LYS  22  -3.000  -3.794 -10.378
  553   2HZ   LYS  22          2HZ       LYS  22  -3.114  -4.054  -8.710
  554   3HZ   LYS  22          3HZ       LYS  22  -4.335  -3.208  -9.521
  555    H    GLU  23           H        GLU  23  -0.377  -2.940  -4.851
  556    HA   GLU  23           HA       GLU  23  -2.883  -4.048  -5.394
  557   1HB   GLU  23          1HB       GLU  23  -0.828  -4.432  -3.268
  558   2HB   GLU  23          2HB       GLU  23  -2.419  -5.136  -3.015
  559   1HG   GLU  23          1HG       GLU  23  -2.074  -6.755  -4.512
  560   2HG   GLU  23          2HG       GLU  23  -1.303  -5.663  -5.661
  561    H    ILE  24           H        ILE  24  -1.840  -1.986  -2.693
  562    HA   ILE  24           HA       ILE  24  -4.293  -2.011  -1.323
  563    HB   ILE  24           HB       ILE  24  -3.435  -0.471   0.122
  564   1HG1  ILE  24          1HG1      ILE  24  -1.614   1.256  -0.782
  565   2HG1  ILE  24          2HG1      ILE  24  -2.458   0.964  -2.300
  566   1HG2  ILE  24          1HG2      ILE  24  -1.700  -2.290  -0.489
  567   2HG2  ILE  24          2HG2      ILE  24  -0.786  -0.939  -1.160
  568   3HG2  ILE  24          3HG2      ILE  24  -1.226  -0.943   0.546
  569   1HD1  ILE  24          1HD1      ILE  24  -4.392   1.393  -0.264
  570   2HD1  ILE  24          2HD1      ILE  24  -3.189   2.682  -0.189
  571   3HD1  ILE  24          3HD1      ILE  24  -4.051   2.368  -1.695
  572    H    GLU  25           H        GLU  25  -3.107  -0.076  -3.985
  573    HA   GLU  25           HA       GLU  25  -5.065   1.916  -4.036
  574   1HB   GLU  25          1HB       GLU  25  -2.869   1.369  -5.529
  575   2HB   GLU  25          2HB       GLU  25  -4.136   0.897  -6.653
  576   1HG   GLU  25          1HG       GLU  25  -4.700   3.008  -7.077
  577   2HG   GLU  25          2HG       GLU  25  -4.643   3.461  -5.374
  578    H    ARG  26           H        ARG  26  -5.006  -1.308  -5.499
  579    HA   ARG  26           HA       ARG  26  -7.400  -1.153  -6.929
  580   1HB   ARG  26          1HB       ARG  26  -5.609  -3.007  -6.931
  581   2HB   ARG  26          2HB       ARG  26  -6.472  -3.662  -5.547
  582   1HG   ARG  26          1HG       ARG  26  -8.523  -3.361  -7.244
  583   2HG   ARG  26          2HG       ARG  26  -7.214  -3.618  -8.399
  584   1HD   ARG  26          1HD       ARG  26  -6.796  -5.753  -7.655
  585   2HD   ARG  26          2HD       ARG  26  -7.436  -5.431  -6.045
  586    HE   ARG  26           HE       ARG  26  -9.524  -6.023  -6.787
  587   1HH1  ARG  26          1HH1      ARG  26  -7.414  -5.555  -9.518
  588   2HH1  ARG  26          2HH1      ARG  26  -8.545  -6.189 -10.666
  589   1HH2  ARG  26          1HH2      ARG  26 -11.021  -6.861  -8.291
  590   2HH2  ARG  26          2HH2      ARG  26 -10.596  -6.932  -9.969
  591    H    HIS  27           H        HIS  27  -6.794  -2.329  -3.623
  592    HA   HIS  27           HA       HIS  27  -9.486  -2.875  -2.996
  593   1HB   HIS  27          1HB       HIS  27  -6.946  -2.772  -1.588
  594   2HB   HIS  27          2HB       HIS  27  -8.260  -2.151  -0.594
  595    HD1  HIS  27           HD1      HIS  27 -10.453  -3.882  -0.593
  596    HD2  HIS  27           HD2      HIS  27  -6.696  -5.454  -1.423
  597    HE1  HIS  27           HE1      HIS  27 -10.651  -6.354  -0.175
  598    HE2  HIS  27           HE2      HIS  27  -8.367  -7.287  -0.684
  599    H    LYS  28           H        LYS  28  -7.704   0.074  -3.190
  600    HA   LYS  28           HA       LYS  28  -9.483   1.620  -1.544
  601   1HB   LYS  28          1HB       LYS  28  -7.119   2.245  -1.807
  602   2HB   LYS  28          2HB       LYS  28  -7.376   2.498  -3.528
  603   1HG   LYS  28          1HG       LYS  28  -9.052   4.260  -2.925
  604   2HG   LYS  28          2HG       LYS  28  -8.519   4.093  -1.251
  605   1HD   LYS  28          1HD       LYS  28  -6.954   5.611  -1.724
  606   2HD   LYS  28          2HD       LYS  28  -6.162   4.359  -2.684
  607   1HE   LYS  28          1HE       LYS  28  -7.614   5.092  -4.613
  608   2HE   LYS  28          2HE       LYS  28  -8.084   6.476  -3.626
  609   1HZ   LYS  28          1HZ       LYS  28  -5.234   5.891  -4.087
  610   2HZ   LYS  28          2HZ       LYS  28  -6.131   6.707  -5.267
  611   3HZ   LYS  28          3HZ       LYS  28  -5.974   7.366  -3.717
  612    H    GLN  29           H        GLN  29  -9.265   0.723  -4.887
  613    HA   GLN  29           HA       GLN  29 -11.003   2.767  -5.879
  614   1HB   GLN  29          1HB       GLN  29  -9.264   1.155  -7.102
  615   2HB   GLN  29          2HB       GLN  29 -10.710   0.180  -7.325
  616   1HG   GLN  29          1HG       GLN  29 -11.516   1.534  -8.897
  617   2HG   GLN  29          2HG       GLN  29 -11.112   2.985  -7.983
  618   2HE2  GLN  29          2HE2      GLN  29  -8.987   0.413  -9.133
  619   1HE2  GLN  29          1HE2      GLN  29  -8.023   1.419 -10.154
  620    H    SER  30           H        SER  30 -11.386  -0.556  -4.781
  621    HA   SER  30           HA       SER  30 -14.124  -0.785  -5.541
  622   1HB   SER  30          1HB       SER  30 -14.121  -2.853  -4.326
  623   2HB   SER  30          2HB       SER  30 -12.551  -2.716  -5.119
  624    HG   SER  30           HG       SER  30 -12.467  -3.364  -2.876
  625    H    ILE  31           H        ILE  31 -12.465   0.010  -2.504
  626    HA   ILE  31           HA       ILE  31 -14.898   0.280  -1.023
  627    HB   ILE  31           HB       ILE  31 -12.655  -0.284  -0.054
  628   1HG1  ILE  31          1HG1      ILE  31 -14.827   1.032   1.033
  629   2HG1  ILE  31          2HG1      ILE  31 -13.546   0.240   1.932
  630   1HG2  ILE  31          1HG2      ILE  31 -11.446   1.514  -1.321
  631   2HG2  ILE  31          2HG2      ILE  31 -12.106   2.669  -0.163
  632   3HG2  ILE  31          3HG2      ILE  31 -11.034   1.381   0.389
  633   1HD1  ILE  31          1HD1      ILE  31 -13.452   3.141   1.158
  634   2HD1  ILE  31          2HD1      ILE  31 -14.139   2.556   2.674
  635   3HD1  ILE  31          3HD1      ILE  31 -12.432   2.290   2.318
  636    H    LYS  32           H        LYS  32 -13.019   2.352  -3.046
  637    HA   LYS  32           HA       LYS  32 -14.143   4.805  -2.014
  638   1HB   LYS  32          1HB       LYS  32 -11.930   4.960  -2.898
  639   2HB   LYS  32          2HB       LYS  32 -12.400   4.167  -4.395
  640   1HG   LYS  32          1HG       LYS  32 -13.355   6.055  -5.263
  641   2HG   LYS  32          2HG       LYS  32 -13.731   6.725  -3.677
  642   1HD   LYS  32          1HD       LYS  32 -11.901   7.885  -5.005
  643   2HD   LYS  32          2HD       LYS  32 -11.516   7.452  -3.341
  644   1HE   LYS  32          1HE       LYS  32 -10.069   5.771  -3.975
  645   2HE   LYS  32          2HE       LYS  32 -10.846   5.550  -5.543
  646   1HZ   LYS  32          1HZ       LYS  32  -9.936   7.744  -6.187
  647   2HZ   LYS  32          2HZ       LYS  32  -9.080   7.793  -4.728
  648   3HZ   LYS  32          3HZ       LYS  32  -8.739   6.591  -5.868
  649    H    LYS  33           H        LYS  33 -14.854   2.471  -4.475
  650    HA   LYS  33           HA       LYS  33 -16.622   4.136  -5.993
  651   1HB   LYS  33          1HB       LYS  33 -15.425   1.643  -6.351
  652   2HB   LYS  33          2HB       LYS  33 -17.142   1.286  -6.222
  653   1HG   LYS  33          1HG       LYS  33 -17.002   1.637  -8.459
  654   2HG   LYS  33          2HG       LYS  33 -17.319   3.292  -7.935
  655   1HD   LYS  33          1HD       LYS  33 -15.375   3.975  -8.771
  656   2HD   LYS  33          2HD       LYS  33 -14.503   2.767  -7.824
  657   1HE   LYS  33          1HE       LYS  33 -15.507   1.192  -9.751
  658   2HE   LYS  33          2HE       LYS  33 -15.377   2.705 -10.647
  659   1HZ   LYS  33          1HZ       LYS  33 -13.003   2.671  -9.511
  660   2HZ   LYS  33          2HZ       LYS  33 -13.273   1.002  -9.563
  661   3HZ   LYS  33          3HZ       LYS  33 -13.304   1.909 -10.991
  662    H    LEU  34           H        LEU  34 -17.001   1.694  -3.460
  663    HA   LEU  34           HA       LEU  34 -19.856   1.777  -3.483
  664   1HB   LEU  34          1HB       LEU  34 -17.792   0.631  -1.639
  665   2HB   LEU  34          2HB       LEU  34 -19.473   0.693  -1.143
  666    HG   LEU  34           HG       LEU  34 -18.683  -0.591  -3.739
  667   1HD1  LEU  34          1HD1      LEU  34 -18.343  -1.629  -0.978
  668   2HD1  LEU  34          2HD1      LEU  34 -18.952  -2.732  -2.213
  669   3HD1  LEU  34          3HD1      LEU  34 -17.392  -1.937  -2.431
  670   1HD2  LEU  34          1HD2      LEU  34 -21.051  -0.678  -1.901
  671   2HD2  LEU  34          2HD2      LEU  34 -20.995  -0.291  -3.621
  672   3HD2  LEU  34          3HD2      LEU  34 -20.753  -1.953  -3.082
  673    H    LYS  35           H        LYS  35 -17.328   3.408  -1.660
  674    HA   LYS  35           HA       LYS  35 -19.142   4.667   0.173
  675   1HB   LYS  35          1HB       LYS  35 -16.852   4.251   0.855
  676   2HB   LYS  35          2HB       LYS  35 -16.244   5.223  -0.478
  677   1HG   LYS  35          1HG       LYS  35 -17.977   6.905   0.914
  678   2HG   LYS  35          2HG       LYS  35 -17.074   6.033   2.154
  679   1HD   LYS  35          1HD       LYS  35 -15.859   7.522  -0.173
  680   2HD   LYS  35          2HD       LYS  35 -15.959   8.122   1.483
  681   1HE   LYS  35          1HE       LYS  35 -14.804   5.599   1.705
  682   2HE   LYS  35          2HE       LYS  35 -14.046   6.316   0.283
  683   1HZ   LYS  35          1HZ       LYS  35 -13.713   8.342   1.774
  684   2HZ   LYS  35          2HZ       LYS  35 -14.036   7.302   3.067
  685   3HZ   LYS  35          3HZ       LYS  35 -12.722   6.998   2.048
  686    H    GLN  36           H        GLN  36 -17.855   5.389  -2.962
  687    HA   GLN  36           HA       GLN  36 -18.478   8.192  -2.886
  688   1HB   GLN  36          1HB       GLN  36 -17.533   6.272  -4.976
  689   2HB   GLN  36          2HB       GLN  36 -18.197   7.819  -5.480
  690   1HG   GLN  36          1HG       GLN  36 -16.217   8.019  -3.342
  691   2HG   GLN  36          2HG       GLN  36 -15.591   7.346  -4.846
  692   2HE2  GLN  36          2HE2      GLN  36 -14.299   9.305  -4.872
  693   1HE2  GLN  36          1HE2      GLN  36 -14.978  10.754  -5.521
  694    H    SER  37           H        SER  37 -20.100   5.256  -3.841
  695    HA   SER  37           HA       SER  37 -22.177   6.478  -5.349
  696   1HB   SER  37          1HB       SER  37 -22.042   3.794  -3.957
  697   2HB   SER  37          2HB       SER  37 -23.347   4.289  -5.034
  698    HG   SER  37           HG       SER  37 -21.822   4.472  -6.703
  699    H    GLU  38           H        GLU  38 -21.670   5.846  -1.958
  700    HA   GLU  38           HA       GLU  38 -24.330   6.135  -1.071
  701   1HB   GLU  38          1HB       GLU  38 -22.535   5.180   0.318
  702   2HB   GLU  38          2HB       GLU  38 -21.763   6.757   0.398
  703   1HG   GLU  38          1HG       GLU  38 -24.583   6.546   1.291
  704   2HG   GLU  38          2HG       GLU  38 -23.329   5.860   2.323
  705    H    ASP  39           H        ASP  39 -21.805   8.449  -1.808
  706    HA   ASP  39           HA       ASP  39 -23.772  10.593  -1.703
  707   1HB   ASP  39          1HB       ASP  39 -22.171  12.058  -0.434
  708   2HB   ASP  39          2HB       ASP  39 -22.863  10.743   0.513
  709    H    ASP  40           H        ASP  40 -22.914   9.595  -4.002
  710    HA   ASP  40           HA       ASP  40 -20.545  10.406  -5.134
  711   1HB   ASP  40          1HB       ASP  40 -22.314   8.993  -6.221
  712   2HB   ASP  40          2HB       ASP  40 -23.220  10.469  -6.543
  713    H    ASP  41           H        ASP  41 -19.740  12.247  -6.041
  714    HA   ASP  41           HA       ASP  41 -19.394  14.490  -6.248
  715   1HB   ASP  41          1HB       ASP  41 -21.380  13.867  -7.897
  716   2HB   ASP  41          2HB       ASP  41 -22.290  14.926  -6.824

  No H/Q in entry =         716
  Start of MODEL   16
    1    H1   ALA   1           H1       ALA   1 -33.057   5.622   5.432
    2    H2   ALA   1           H2       ALA   1 -33.118   7.195   4.754
    3    H3   ALA   1           H3       ALA   1 -34.493   6.172   4.670
    4    HA   ALA   1           HA       ALA   1 -33.478   4.736   3.192
    5   1HB   ALA   1          1HB       ALA   1 -34.377   6.867   2.290
    6   2HB   ALA   1          2HB       ALA   1 -33.102   6.162   1.297
    7   3HB   ALA   1          3HB       ALA   1 -32.746   7.534   2.346
    8    H    LEU   2           H        LEU   2 -31.747   3.699   4.382
    9    HA   LEU   2           HA       LEU   2 -29.148   4.402   3.268
   10   1HB   LEU   2          1HB       LEU   2 -29.775   5.181   5.835
   11   2HB   LEU   2          2HB       LEU   2 -28.948   3.655   6.088
   12    HG   LEU   2           HG       LEU   2 -27.782   5.908   4.459
   13   1HD1  LEU   2          1HD1      LEU   2 -28.167   6.622   6.784
   14   2HD1  LEU   2          2HD1      LEU   2 -27.242   5.229   7.345
   15   3HD1  LEU   2          3HD1      LEU   2 -26.452   6.486   6.392
   16   1HD2  LEU   2          1HD2      LEU   2 -26.587   3.421   5.675
   17   2HD2  LEU   2          2HD2      LEU   2 -26.855   3.727   3.959
   18   3HD2  LEU   2          3HD2      LEU   2 -25.680   4.692   4.853
   19    H    LYS   3           H        LYS   3 -28.189   2.636   2.512
   20    HA   LYS   3           HA       LYS   3 -29.316   0.046   2.972
   21   1HB   LYS   3          1HB       LYS   3 -26.876   0.957   1.447
   22   2HB   LYS   3          2HB       LYS   3 -27.406  -0.718   1.514
   23   1HG   LYS   3          1HG       LYS   3 -28.181   0.263  -0.526
   24   2HG   LYS   3          2HG       LYS   3 -29.567  -0.029   0.527
   25   1HD   LYS   3          1HD       LYS   3 -29.859   2.228   0.980
   26   2HD   LYS   3          2HD       LYS   3 -28.198   2.632   0.541
   27   1HE   LYS   3          1HE       LYS   3 -29.444   3.456  -1.243
   28   2HE   LYS   3          2HE       LYS   3 -28.869   1.897  -1.831
   29   1HZ   LYS   3          1HZ       LYS   3 -31.262   1.372  -0.582
   30   2HZ   LYS   3          2HZ       LYS   3 -31.537   2.797  -1.453
   31   3HZ   LYS   3          3HZ       LYS   3 -30.977   1.412  -2.249
   32    H    LYS   4           H        LYS   4 -28.043  -1.832   3.663
   33    HA   LYS   4           HA       LYS   4 -26.160  -1.108   5.811
   34   1HB   LYS   4          1HB       LYS   4 -27.846  -3.609   5.688
   35   2HB   LYS   4          2HB       LYS   4 -26.920  -3.007   7.056
   36   1HG   LYS   4          1HG       LYS   4 -28.515  -0.919   6.751
   37   2HG   LYS   4          2HG       LYS   4 -29.557  -2.140   6.015
   38   1HD   LYS   4          1HD       LYS   4 -30.224  -2.338   8.189
   39   2HD   LYS   4          2HD       LYS   4 -28.891  -3.494   8.190
   40   1HE   LYS   4          1HE       LYS   4 -27.411  -1.604   8.962
   41   2HE   LYS   4          2HE       LYS   4 -28.880  -0.657   9.195
   42   1HZ   LYS   4          1HZ       LYS   4 -28.877  -3.286  10.419
   43   2HZ   LYS   4          2HZ       LYS   4 -27.784  -2.180  11.084
   44   3HZ   LYS   4          3HZ       LYS   4 -29.433  -1.808  11.026
   45    H    HIS   5           H        HIS   5 -26.936  -3.637   3.436
   46    HA   HIS   5           HA       HIS   5 -24.731  -5.260   3.721
   47   1HB   HIS   5          1HB       HIS   5 -25.030  -5.605   1.154
   48   2HB   HIS   5          2HB       HIS   5 -26.331  -6.076   2.244
   49    HD1  HIS   5           HD1      HIS   5 -28.526  -5.422   1.342
   50    HD2  HIS   5           HD2      HIS   5 -25.572  -2.685   0.316
   51    HE1  HIS   5           HE1      HIS   5 -29.690  -3.653  -0.014
   52    HE2  HIS   5           HE2      HIS   5 -27.884  -2.006  -0.624
   53    H    HIS   6           H        HIS   6 -24.966  -2.135   2.164
   54    HA   HIS   6           HA       HIS   6 -22.543  -2.198   0.739
   55   1HB   HIS   6          1HB       HIS   6 -24.580  -0.273   1.331
   56   2HB   HIS   6          2HB       HIS   6 -23.007   0.460   1.635
   57    HD1  HIS   6           HD1      HIS   6 -23.841  -1.994  -1.130
   58    HD2  HIS   6           HD2      HIS   6 -22.741   1.981  -0.617
   59    HE1  HIS   6           HE1      HIS   6 -23.422  -1.107  -3.446
   60    HE2  HIS   6           HE2      HIS   6 -22.759   1.300  -3.112
   61    H    GLU   7           H        GLU   7 -23.254  -0.704   3.899
   62    HA   GLU   7           HA       GLU   7 -20.704   0.068   4.585
   63   1HB   GLU   7          1HB       GLU   7 -23.195  -0.486   6.009
   64   2HB   GLU   7          2HB       GLU   7 -21.767  -0.787   6.990
   65   1HG   GLU   7          1HG       GLU   7 -21.002   1.453   6.694
   66   2HG   GLU   7          2HG       GLU   7 -22.262   1.779   5.504
   67    H    ASN   8           H        ASN   8 -22.040  -3.122   4.425
   68    HA   ASN   8           HA       ASN   8 -20.182  -4.432   6.124
   69   1HB   ASN   8          1HB       ASN   8 -22.433  -5.165   4.569
   70   2HB   ASN   8          2HB       ASN   8 -21.093  -6.172   4.029
   71   2HD2  ASN   8          2HD2      ASN   8 -23.614  -6.450   5.810
   72   1HD2  ASN   8          1HD2      ASN   8 -23.029  -7.358   7.157
   73    H    GLU   9           H        GLU   9 -20.412  -4.422   2.553
   74    HA   GLU   9           HA       GLU   9 -17.787  -5.484   2.218
   75   1HB   GLU   9          1HB       GLU   9 -19.574  -4.038   0.253
   76   2HB   GLU   9          2HB       GLU   9 -18.107  -4.909  -0.170
   77   1HG   GLU   9          1HG       GLU   9 -19.168  -6.966   0.796
   78   2HG   GLU   9          2HG       GLU   9 -20.665  -6.044   0.926
   79    H    ILE  10           H        ILE  10 -18.856  -2.437   3.113
   80    HA   ILE  10           HA       ILE  10 -16.696  -0.951   1.882
   81    HB   ILE  10           HB       ILE  10 -19.041  -0.190   3.621
   82   1HG1  ILE  10          1HG1      ILE  10 -18.279   0.684   0.833
   83   2HG1  ILE  10          2HG1      ILE  10 -19.378  -0.643   1.187
   84   1HG2  ILE  10          1HG2      ILE  10 -17.077   1.184   4.256
   85   2HG2  ILE  10          2HG2      ILE  10 -16.973   1.734   2.582
   86   3HG2  ILE  10          3HG2      ILE  10 -18.400   2.110   3.550
   87   1HD1  ILE  10          1HD1      ILE  10 -20.034   1.910   2.479
   88   2HD1  ILE  10          2HD1      ILE  10 -20.158   1.885   0.720
   89   3HD1  ILE  10          3HD1      ILE  10 -21.078   0.732   1.686
   90    H    SER  11           H        SER  11 -17.556  -2.448   4.895
   91    HA   SER  11           HA       SER  11 -15.528  -1.094   6.432
   92   1HB   SER  11          1HB       SER  11 -17.410  -3.383   6.997
   93   2HB   SER  11          2HB       SER  11 -16.128  -2.947   8.127
   94    HG   SER  11           HG       SER  11 -17.114  -0.719   7.856
   95    H    HIS  12           H        HIS  12 -15.886  -4.028   4.592
   96    HA   HIS  12           HA       HIS  12 -13.463  -5.219   5.568
   97   1HB   HIS  12          1HB       HIS  12 -14.675  -6.973   4.829
   98   2HB   HIS  12          2HB       HIS  12 -15.672  -5.959   3.801
   99    HD1  HIS  12           HD1      HIS  12 -12.531  -8.026   3.750
  100    HD2  HIS  12           HD2      HIS  12 -14.998  -5.956   1.126
  101    HE1  HIS  12           HE1      HIS  12 -11.784  -8.710   1.446
  102    HE2  HIS  12           HE2      HIS  12 -13.294  -7.448  -0.129
  103    H    HIS  13           H        HIS  13 -14.454  -3.606   2.523
  104    HA   HIS  13           HA       HIS  13 -11.873  -3.708   1.358
  105   1HB   HIS  13          1HB       HIS  13 -14.120  -1.750   0.840
  106   2HB   HIS  13          2HB       HIS  13 -12.690  -1.948  -0.164
  107    HD1  HIS  13           HD1      HIS  13 -12.785  -5.148  -0.045
  108    HD2  HIS  13           HD2      HIS  13 -15.860  -2.575  -1.114
  109    HE1  HIS  13           HE1      HIS  13 -14.324  -6.512  -1.497
  110    HE2  HIS  13           HE2      HIS  13 -16.185  -4.934  -2.132
  111    H    ALA  14           H        ALA  14 -13.365  -1.623   3.698
  112    HA   ALA  14           HA       ALA  14 -11.615   0.592   3.440
  113   1HB   ALA  14          1HB       ALA  14 -13.447  -0.372   5.609
  114   2HB   ALA  14          2HB       ALA  14 -12.378   1.006   5.869
  115   3HB   ALA  14          3HB       ALA  14 -13.589   1.059   4.588
  116    H    LYS  15           H        LYS  15 -11.647  -2.218   5.607
  117    HA   LYS  15           HA       LYS  15  -9.221  -1.541   6.923
  118   1HB   LYS  15          1HB       LYS  15 -11.226  -3.471   7.232
  119   2HB   LYS  15          2HB       LYS  15  -9.764  -4.386   6.896
  120   1HG   LYS  15          1HG       LYS  15  -9.270  -4.194   9.047
  121   2HG   LYS  15          2HG       LYS  15  -8.968  -2.481   8.748
  122   1HD   LYS  15          1HD       LYS  15 -11.259  -1.942   9.303
  123   2HD   LYS  15          2HD       LYS  15 -11.648  -3.652   9.487
  124   1HE   LYS  15          1HE       LYS  15 -11.306  -3.101  11.676
  125   2HE   LYS  15          2HE       LYS  15  -9.663  -3.556  11.224
  126   1HZ   LYS  15          1HZ       LYS  15 -10.431  -0.765  10.845
  127   2HZ   LYS  15          2HZ       LYS  15 -10.208  -1.292  12.437
  128   3HZ   LYS  15          3HZ       LYS  15  -8.946  -1.423  11.316
  129    H    GLU  16           H        GLU  16  -9.933  -2.911   3.861
  130    HA   GLU  16           HA       GLU  16  -7.455  -4.346   3.581
  131   1HB   GLU  16          1HB       GLU  16  -9.627  -3.614   1.618
  132   2HB   GLU  16          2HB       GLU  16  -8.191  -4.523   1.170
  133   1HG   GLU  16          1HG       GLU  16  -9.843  -5.496   3.442
  134   2HG   GLU  16          2HG       GLU  16 -10.434  -5.728   1.798
  135    H    ILE  17           H        ILE  17  -8.723  -1.198   2.547
  136    HA   ILE  17           HA       ILE  17  -6.371  -0.585   0.999
  137    HB   ILE  17           HB       ILE  17  -8.495   0.402   0.366
  138   1HG1  ILE  17          1HG1      ILE  17  -6.249   1.632   0.096
  139   2HG1  ILE  17          2HG1      ILE  17  -7.724   2.565  -0.122
  140   1HG2  ILE  17          1HG2      ILE  17  -8.609   1.083   3.190
  141   2HG2  ILE  17          2HG2      ILE  17  -9.029   2.433   2.138
  142   3HG2  ILE  17          3HG2      ILE  17  -9.908   0.910   2.010
  143   1HD1  ILE  17          1HD1      ILE  17  -6.962   2.709   2.613
  144   2HD1  ILE  17          2HD1      ILE  17  -5.559   3.076   1.610
  145   3HD1  ILE  17          3HD1      ILE  17  -7.050   3.999   1.415
  146    H    GLU  18           H        GLU  18  -7.454  -0.096   4.271
  147    HA   GLU  18           HA       GLU  18  -5.399   1.831   4.893
  148   1HB   GLU  18          1HB       GLU  18  -7.810   1.004   6.085
  149   2HB   GLU  18          2HB       GLU  18  -6.541   0.552   7.217
  150   1HG   GLU  18          1HG       GLU  18  -5.771   2.792   7.376
  151   2HG   GLU  18          2HG       GLU  18  -6.793   3.303   6.035
  152    H    ARG  19           H        ARG  19  -5.923  -1.624   5.244
  153    HA   ARG  19           HA       ARG  19  -3.624  -2.062   6.893
  154   1HB   ARG  19          1HB       ARG  19  -5.461  -3.877   5.347
  155   2HB   ARG  19          2HB       ARG  19  -4.024  -4.497   6.147
  156   1HG   ARG  19          1HG       ARG  19  -4.837  -3.886   8.284
  157   2HG   ARG  19          2HG       ARG  19  -6.148  -2.931   7.585
  158   1HD   ARG  19          1HD       ARG  19  -7.155  -4.933   8.293
  159   2HD   ARG  19          2HD       ARG  19  -6.968  -5.102   6.547
  160    HE   ARG  19           HE       ARG  19  -4.728  -6.193   7.883
  161   1HH1  ARG  19          1HH1      ARG  19  -8.089  -6.820   7.223
  162   2HH1  ARG  19          2HH1      ARG  19  -7.922  -8.541   7.323
  163   1HH2  ARG  19          1HH2      ARG  19  -4.496  -8.459   8.016
  164   2HH2  ARG  19          2HH2      ARG  19  -5.880  -9.473   7.775
  165    H    LEU  20           H        LEU  20  -4.310  -2.097   3.452
  166    HA   LEU  20           HA       LEU  20  -1.841  -3.285   2.675
  167   1HB   LEU  20          1HB       LEU  20  -3.872  -1.638   1.173
  168   2HB   LEU  20          2HB       LEU  20  -2.439  -2.309   0.418
  169    HG   LEU  20           HG       LEU  20  -4.361  -4.099   1.863
  170   1HD1  LEU  20          1HD1      LEU  20  -5.229  -2.488  -0.157
  171   2HD1  LEU  20          2HD1      LEU  20  -4.701  -3.922  -1.035
  172   3HD1  LEU  20          3HD1      LEU  20  -5.906  -4.067   0.245
  173   1HD2  LEU  20          1HD2      LEU  20  -2.011  -4.377   0.171
  174   2HD2  LEU  20          2HD2      LEU  20  -2.764  -5.537   1.267
  175   3HD2  LEU  20          3HD2      LEU  20  -3.374  -5.353  -0.378
  176    H    GLN  21           H        GLN  21  -3.014   0.022   3.049
  177    HA   GLN  21           HA       GLN  21  -0.778   1.344   1.980
  178   1HB   GLN  21          1HB       GLN  21  -3.091   2.289   2.621
  179   2HB   GLN  21          2HB       GLN  21  -2.429   2.441   4.243
  180   1HG   GLN  21          1HG       GLN  21  -0.514   3.590   2.590
  181   2HG   GLN  21          2HG       GLN  21  -2.060   4.126   1.935
  182   2HE2  GLN  21          2HE2      GLN  21  -3.653   4.708   3.819
  183   1HE2  GLN  21          1HE2      GLN  21  -2.997   5.792   4.994
  184    H    LYS  22           H        LYS  22  -1.501   0.209   5.250
  185    HA   LYS  22           HA       LYS  22   0.723   1.370   6.528
  186   1HB   LYS  22          1HB       LYS  22  -1.387   0.215   7.524
  187   2HB   LYS  22          2HB       LYS  22  -0.438  -1.259   7.390
  188   1HG   LYS  22          1HG       LYS  22   0.852   1.051   8.712
  189   2HG   LYS  22          2HG       LYS  22  -0.460   0.250   9.579
  190   1HD   LYS  22          1HD       LYS  22   1.129  -1.164  10.288
  191   2HD   LYS  22          2HD       LYS  22   1.010  -1.872   8.676
  192   1HE   LYS  22          1HE       LYS  22   3.161  -1.387   8.388
  193   2HE   LYS  22          2HE       LYS  22   2.714   0.319   8.388
  194   1HZ   LYS  22          1HZ       LYS  22   3.008   0.334  10.804
  195   2HZ   LYS  22          2HZ       LYS  22   3.501  -1.284  10.760
  196   3HZ   LYS  22          3HZ       LYS  22   4.435  -0.096  10.003
  197    H    GLU  23           H        GLU  23   0.267  -1.775   4.971
  198    HA   GLU  23           HA       GLU  23   2.752  -2.889   5.649
  199   1HB   GLU  23          1HB       GLU  23   0.511  -3.635   4.113
  200   2HB   GLU  23          2HB       GLU  23   1.899  -3.762   3.042
  201   1HG   GLU  23          1HG       GLU  23   1.975  -4.963   5.777
  202   2HG   GLU  23          2HG       GLU  23   1.194  -5.807   4.440
  203    H    ILE  24           H        ILE  24   1.770  -0.865   2.923
  204    HA   ILE  24           HA       ILE  24   4.187  -1.090   1.480
  205    HB   ILE  24           HB       ILE  24   3.364   0.430  -0.006
  206   1HG1  ILE  24          1HG1      ILE  24   1.657   2.282   0.849
  207   2HG1  ILE  24          2HG1      ILE  24   2.487   2.001   2.377
  208   1HG2  ILE  24          1HG2      ILE  24   1.507  -1.250   0.915
  209   2HG2  ILE  24          2HG2      ILE  24   0.685   0.281   1.213
  210   3HG2  ILE  24          3HG2      ILE  24   1.222  -0.127  -0.413
  211   1HD1  ILE  24          1HD1      ILE  24   4.462   2.251   0.371
  212   2HD1  ILE  24          2HD1      ILE  24   3.311   3.573   0.167
  213   3HD1  ILE  24          3HD1      ILE  24   4.116   3.337   1.720
  214    H    GLU  25           H        GLU  25   3.138   1.024   4.071
  215    HA   GLU  25           HA       GLU  25   5.229   2.890   3.994
  216   1HB   GLU  25          1HB       GLU  25   3.096   3.046   5.341
  217   2HB   GLU  25          2HB       GLU  25   3.820   1.923   6.484
  218   1HG   GLU  25          1HG       GLU  25   5.663   3.526   6.837
  219   2HG   GLU  25          2HG       GLU  25   4.842   4.661   5.766
  220    H    ARG  26           H        ARG  26   4.920  -0.204   5.697
  221    HA   ARG  26           HA       ARG  26   7.296  -0.123   7.150
  222   1HB   ARG  26          1HB       ARG  26   5.603  -1.839   7.521
  223   2HB   ARG  26          2HB       ARG  26   5.896  -2.505   5.920
  224   1HG   ARG  26          1HG       ARG  26   7.986  -3.357   6.529
  225   2HG   ARG  26          2HG       ARG  26   8.072  -2.349   7.974
  226   1HD   ARG  26          1HD       ARG  26   6.632  -3.694   9.163
  227   2HD   ARG  26          2HD       ARG  26   5.854  -4.323   7.711
  228    HE   ARG  26           HE       ARG  26   8.212  -5.351   9.008
  229   1HH1  ARG  26          1HH1      ARG  26   6.385  -5.200   6.048
  230   2HH1  ARG  26          2HH1      ARG  26   7.049  -6.668   5.410
  231   1HH2  ARG  26          1HH2      ARG  26   9.095  -7.285   8.177
  232   2HH2  ARG  26          2HH2      ARG  26   8.590  -7.853   6.622
  233    H    HIS  27           H        HIS  27   6.681  -1.466   3.914
  234    HA   HIS  27           HA       HIS  27   9.354  -2.201   3.388
  235   1HB   HIS  27          1HB       HIS  27   6.853  -2.229   1.995
  236   2HB   HIS  27          2HB       HIS  27   8.078  -1.534   0.939
  237    HD1  HIS  27           HD1      HIS  27  10.260  -3.084   0.573
  238    HD2  HIS  27           HD2      HIS  27   6.912  -4.947   2.181
  239    HE1  HIS  27           HE1      HIS  27  10.647  -5.549   0.260
  240    HE2  HIS  27           HE2      HIS  27   8.607  -6.659   1.240
  241    H    LYS  28           H        LYS  28   7.698   0.828   3.293
  242    HA   LYS  28           HA       LYS  28   9.578   2.148   1.571
  243   1HB   LYS  28          1HB       LYS  28   7.106   2.764   1.993
  244   2HB   LYS  28          2HB       LYS  28   7.697   3.540   3.456
  245   1HG   LYS  28          1HG       LYS  28   9.382   4.510   1.509
  246   2HG   LYS  28          2HG       LYS  28   7.817   4.428   0.695
  247   1HD   LYS  28          1HD       LYS  28   8.045   5.624   3.431
  248   2HD   LYS  28          2HD       LYS  28   8.459   6.576   2.004
  249   1HE   LYS  28          1HE       LYS  28   6.225   6.120   1.078
  250   2HE   LYS  28          2HE       LYS  28   5.819   5.215   2.536
  251   1HZ   LYS  28          1HZ       LYS  28   6.731   8.006   2.746
  252   2HZ   LYS  28          2HZ       LYS  28   5.122   7.675   2.338
  253   3HZ   LYS  28          3HZ       LYS  28   5.754   7.120   3.805
  254    H    GLN  29           H        GLN  29   9.318   1.478   4.950
  255    HA   GLN  29           HA       GLN  29  11.117   3.541   5.813
  256   1HB   GLN  29          1HB       GLN  29   9.309   2.327   7.200
  257   2HB   GLN  29          2HB       GLN  29  10.491   1.034   7.355
  258   1HG   GLN  29          1HG       GLN  29  11.351   2.096   9.089
  259   2HG   GLN  29          2HG       GLN  29  11.851   3.392   8.004
  260   2HE2  GLN  29          2HE2      GLN  29  10.878   5.326   8.138
  261   1HE2  GLN  29          1HE2      GLN  29   9.575   5.700   9.209
  262    H    SER  30           H        SER  30  11.351   0.103   5.054
  263    HA   SER  30           HA       SER  30  14.071  -0.171   5.845
  264   1HB   SER  30          1HB       SER  30  12.103  -1.830   4.341
  265   2HB   SER  30          2HB       SER  30  13.814  -2.218   4.155
  266    HG   SER  30           HG       SER  30  12.847  -3.355   5.895
  267    H    ILE  31           H        ILE  31  12.462   0.497   2.767
  268    HA   ILE  31           HA       ILE  31  14.896   0.481   1.251
  269    HB   ILE  31           HB       ILE  31  12.793  -0.044   0.164
  270   1HG1  ILE  31          1HG1      ILE  31  12.886   1.771  -1.684
  271   2HG1  ILE  31          2HG1      ILE  31  14.235   2.425  -0.761
  272   1HG2  ILE  31          1HG2      ILE  31  11.757   2.011   1.673
  273   2HG2  ILE  31          2HG2      ILE  31  11.721   2.650   0.030
  274   3HG2  ILE  31          3HG2      ILE  31  10.914   1.127   0.401
  275   1HD1  ILE  31          1HD1      ILE  31  15.289   0.145  -0.923
  276   2HD1  ILE  31          2HD1      ILE  31  14.023  -0.258  -2.081
  277   3HD1  ILE  31          3HD1      ILE  31  15.155   1.047  -2.433
  278    H    LYS  32           H        LYS  32  13.078   2.834   3.043
  279    HA   LYS  32           HA       LYS  32  14.371   5.121   1.867
  280   1HB   LYS  32          1HB       LYS  32  12.118   5.340   2.762
  281   2HB   LYS  32          2HB       LYS  32  12.676   4.848   4.355
  282   1HG   LYS  32          1HG       LYS  32  13.655   6.865   4.791
  283   2HG   LYS  32          2HG       LYS  32  13.937   7.221   3.086
  284   1HD   LYS  32          1HD       LYS  32  11.165   7.100   4.231
  285   2HD   LYS  32          2HD       LYS  32  12.134   8.572   4.312
  286   1HE   LYS  32          1HE       LYS  32  12.113   7.366   1.661
  287   2HE   LYS  32          2HE       LYS  32  10.503   7.811   2.225
  288   1HZ   LYS  32          1HZ       LYS  32  11.490  10.041   2.771
  289   2HZ   LYS  32          2HZ       LYS  32  12.862   9.571   1.900
  290   3HZ   LYS  32          3HZ       LYS  32  11.364   9.684   1.123
  291    H    LYS  33           H        LYS  33  14.958   2.954   4.506
  292    HA   LYS  33           HA       LYS  33  16.819   4.673   5.868
  293   1HB   LYS  33          1HB       LYS  33  15.590   3.014   7.141
  294   2HB   LYS  33          2HB       LYS  33  16.240   1.719   6.145
  295   1HG   LYS  33          1HG       LYS  33  18.367   1.903   7.079
  296   2HG   LYS  33          2HG       LYS  33  18.044   3.513   7.724
  297   1HD   LYS  33          1HD       LYS  33  17.465   2.582   9.659
  298   2HD   LYS  33          2HD       LYS  33  16.114   1.793   8.843
  299   1HE   LYS  33          1HE       LYS  33  17.175  -0.051   9.659
  300   2HE   LYS  33          2HE       LYS  33  18.018   0.103   8.118
  301   1HZ   LYS  33          1HZ       LYS  33  19.135   1.544  10.397
  302   2HZ   LYS  33          2HZ       LYS  33  19.294  -0.140  10.404
  303   3HZ   LYS  33          3HZ       LYS  33  19.923   0.763   9.119
  304    H    LEU  34           H        LEU  34  16.997   1.993   3.586
  305    HA   LEU  34           HA       LEU  34  19.847   1.794   3.660
  306   1HB   LEU  34          1HB       LEU  34  17.636   0.529   2.208
  307   2HB   LEU  34          2HB       LEU  34  19.105   0.689   1.264
  308    HG   LEU  34           HG       LEU  34  19.612  -0.364   3.934
  309   1HD1  LEU  34          1HD1      LEU  34  17.241  -1.227   3.139
  310   2HD1  LEU  34          2HD1      LEU  34  18.235  -2.323   2.181
  311   3HD1  LEU  34          3HD1      LEU  34  18.399  -2.290   3.937
  312   1HD2  LEU  34          1HD2      LEU  34  20.979  -0.314   1.674
  313   2HD2  LEU  34          2HD2      LEU  34  21.162  -1.628   2.836
  314   3HD2  LEU  34          3HD2      LEU  34  20.143  -1.845   1.412
  315    H    LYS  35           H        LYS  35  17.514   3.570   1.749
  316    HA   LYS  35           HA       LYS  35  19.409   4.416  -0.233
  317   1HB   LYS  35          1HB       LYS  35  16.960   4.225  -0.662
  318   2HB   LYS  35          2HB       LYS  35  16.698   5.586   0.419
  319   1HG   LYS  35          1HG       LYS  35  18.018   7.017  -1.053
  320   2HG   LYS  35          2HG       LYS  35  18.285   5.651  -2.139
  321   1HD   LYS  35          1HD       LYS  35  15.551   6.683  -1.406
  322   2HD   LYS  35          2HD       LYS  35  16.448   7.228  -2.824
  323   1HE   LYS  35          1HE       LYS  35  16.389   5.084  -3.808
  324   2HE   LYS  35          2HE       LYS  35  15.875   4.324  -2.303
  325   1HZ   LYS  35          1HZ       LYS  35  14.219   6.292  -3.777
  326   2HZ   LYS  35          2HZ       LYS  35  14.093   4.621  -4.001
  327   3HZ   LYS  35          3HZ       LYS  35  13.741   5.302  -2.493
  328    H    GLN  36           H        GLN  36  18.190   5.658   2.800
  329    HA   GLN  36           HA       GLN  36  19.274   8.289   2.476
  330   1HB   GLN  36          1HB       GLN  36  17.354   7.844   3.950
  331   2HB   GLN  36          2HB       GLN  36  18.376   6.850   4.980
  332   1HG   GLN  36          1HG       GLN  36  19.764   8.827   5.461
  333   2HG   GLN  36          2HG       GLN  36  18.663   9.806   4.492
  334   2HE2  GLN  36          2HE2      GLN  36  18.426   7.381   7.080
  335   1HE2  GLN  36          1HE2      GLN  36  17.296   8.267   8.039
  336    H    SER  37           H        SER  37  20.413   5.249   3.744
  337    HA   SER  37           HA       SER  37  22.652   6.312   5.158
  338   1HB   SER  37          1HB       SER  37  22.032   3.524   4.162
  339   2HB   SER  37          2HB       SER  37  23.441   3.922   5.144
  340    HG   SER  37           HG       SER  37  21.850   3.268   6.533
  341    H    GLU  38           H        GLU  38  22.023   5.439   1.865
  342    HA   GLU  38           HA       GLU  38  24.731   5.142   1.037
  343   1HB   GLU  38          1HB       GLU  38  22.158   4.903  -0.142
  344   2HB   GLU  38          2HB       GLU  38  23.085   6.028  -1.126
  345   1HG   GLU  38          1HG       GLU  38  24.864   3.980  -0.647
  346   2HG   GLU  38          2HG       GLU  38  23.322   3.151  -0.857
  347    H    ASP  39           H        ASP  39  22.607   7.852   1.497
  348    HA   ASP  39           HA       ASP  39  24.141   9.708  -0.056
  349   1HB   ASP  39          1HB       ASP  39  21.797   9.856   1.769
  350   2HB   ASP  39          2HB       ASP  39  22.725  11.333   1.532
  351    H    ASP  40           H        ASP  40  23.902   8.894   3.378
  352    HA   ASP  40           HA       ASP  40  26.583   9.732   3.869
  353   1HB   ASP  40          1HB       ASP  40  26.100  11.537   5.456
  354   2HB   ASP  40          2HB       ASP  40  25.506  11.942   3.848
  355    H    ASP  41           H        ASP  41  27.380   8.923   5.784
  356    HA   ASP  41           HA       ASP  41  25.553   7.147   7.236
  357   1HB   ASP  41          1HB       ASP  41  28.535   7.166   6.840
  358   2HB   ASP  41          2HB       ASP  41  27.801   6.231   8.140
  359    H1   ALA   1           H1       ALA   1  33.058   5.625  -5.430
  360    H2   ALA   1           H2       ALA   1  33.118   7.197  -4.751
  361    H3   ALA   1           H3       ALA   1  34.494   6.174  -4.668
  362    HA   ALA   1           HA       ALA   1  33.478   4.737  -3.191
  363   1HB   ALA   1          1HB       ALA   1  32.746   7.534  -2.344
  364   2HB   ALA   1          2HB       ALA   1  33.102   6.161  -1.295
  365   3HB   ALA   1          3HB       ALA   1  34.378   6.868  -2.288
  366    H    LEU   2           H        LEU   2  31.747   3.701  -4.381
  367    HA   LEU   2           HA       LEU   2  29.148   4.404  -3.267
  368   1HB   LEU   2          1HB       LEU   2  29.775   5.184  -5.833
  369   2HB   LEU   2          2HB       LEU   2  28.948   3.659  -6.087
  370    HG   LEU   2           HG       LEU   2  27.782   5.911  -4.457
  371   1HD1  LEU   2          1HD1      LEU   2  28.167   6.626  -6.782
  372   2HD1  LEU   2          2HD1      LEU   2  27.242   5.233  -7.344
  373   3HD1  LEU   2          3HD1      LEU   2  26.452   6.489  -6.391
  374   1HD2  LEU   2          1HD2      LEU   2  26.587   3.424  -5.676
  375   2HD2  LEU   2          2HD2      LEU   2  26.855   3.729  -3.959
  376   3HD2  LEU   2          3HD2      LEU   2  25.680   4.694  -4.853
  377    H    LYS   3           H        LYS   3  28.189   2.638  -2.512
  378    HA   LYS   3           HA       LYS   3  29.316   0.048  -2.974
  379   1HB   LYS   3          1HB       LYS   3  26.875   0.959  -1.448
  380   2HB   LYS   3          2HB       LYS   3  27.405  -0.716  -1.516
  381   1HG   LYS   3          1HG       LYS   3  28.180   0.263   0.525
  382   2HG   LYS   3          2HG       LYS   3  29.566  -0.029  -0.528
  383   1HD   LYS   3          1HD       LYS   3  29.860   2.228  -0.980
  384   2HD   LYS   3          2HD       LYS   3  28.199   2.633  -0.541
  385   1HE   LYS   3          1HE       LYS   3  29.445   3.455   1.243
  386   2HE   LYS   3          2HE       LYS   3  28.869   1.897   1.830
  387   1HZ   LYS   3          1HZ       LYS   3  31.263   1.372   0.581
  388   2HZ   LYS   3          2HZ       LYS   3  31.537   2.796   1.451
  389   3HZ   LYS   3          3HZ       LYS   3  30.978   1.411   2.247
  390    H    LYS   4           H        LYS   4  28.043  -1.829  -3.665
  391    HA   LYS   4           HA       LYS   4  26.160  -1.105  -5.813
  392   1HB   LYS   4          1HB       LYS   4  27.847  -3.605  -5.691
  393   2HB   LYS   4          2HB       LYS   4  26.920  -3.002  -7.060
  394   1HG   LYS   4          1HG       LYS   4  28.515  -0.915  -6.754
  395   2HG   LYS   4          2HG       LYS   4  29.557  -2.135  -6.018
  396   1HD   LYS   4          1HD       LYS   4  30.224  -2.333  -8.192
  397   2HD   LYS   4          2HD       LYS   4  28.891  -3.489  -8.194
  398   1HE   LYS   4          1HE       LYS   4  27.410  -1.599  -8.964
  399   2HE   LYS   4          2HE       LYS   4  28.878  -0.651  -9.197
  400   1HZ   LYS   4          1HZ       LYS   4  28.876  -3.280 -10.423
  401   2HZ   LYS   4          2HZ       LYS   4  27.783  -2.174 -11.087
  402   3HZ   LYS   4          3HZ       LYS   4  29.433  -1.802 -11.029
  403    H    HIS   5           H        HIS   5  26.936  -3.635  -3.439
  404    HA   HIS   5           HA       HIS   5  24.731  -5.258  -3.726
  405   1HB   HIS   5          1HB       HIS   5  25.030  -5.605  -1.160
  406   2HB   HIS   5          2HB       HIS   5  26.331  -6.075  -2.250
  407    HD1  HIS   5           HD1      HIS   5  28.526  -5.421  -1.349
  408    HD2  HIS   5           HD2      HIS   5  25.571  -2.687  -0.318
  409    HE1  HIS   5           HE1      HIS   5  29.690  -3.652   0.008
  410    HE2  HIS   5           HE2      HIS   5  27.884  -2.007   0.622
  411    H    HIS   6           H        HIS   6  24.966  -2.134  -2.166
  412    HA   HIS   6           HA       HIS   6  22.543  -2.199  -0.741
  413   1HB   HIS   6          1HB       HIS   6  24.579  -0.273  -1.331
  414   2HB   HIS   6          2HB       HIS   6  23.007   0.460  -1.635
  415    HD1  HIS   6           HD1      HIS   6  23.844  -1.996   1.128
  416    HD2  HIS   6           HD2      HIS   6  22.740   1.979   0.618
  417    HE1  HIS   6           HE1      HIS   6  23.424  -1.111   3.445
  418    HE2  HIS   6           HE2      HIS   6  22.758   1.296   3.113
  419    H    GLU   7           H        GLU   7  23.255  -0.703  -3.900
  420    HA   GLU   7           HA       GLU   7  20.704   0.070  -4.586
  421   1HB   GLU   7          1HB       GLU   7  23.195  -0.482  -6.009
  422   2HB   GLU   7          2HB       GLU   7  21.768  -0.784  -6.991
  423   1HG   GLU   7          1HG       GLU   7  21.002   1.457  -6.694
  424   2HG   GLU   7          2HG       GLU   7  22.262   1.782  -5.504
  425    H    ASN   8           H        ASN   8  22.040  -3.120  -4.428
  426    HA   ASN   8           HA       ASN   8  20.182  -4.429  -6.128
  427   1HB   ASN   8          1HB       ASN   8  22.432  -5.163  -4.574
  428   2HB   ASN   8          2HB       ASN   8  21.092  -6.170  -4.034
  429   2HD2  ASN   8          2HD2      ASN   8  23.614  -6.446  -5.816
  430   1HD2  ASN   8          1HD2      ASN   8  23.028  -7.354  -7.165
  431    H    GLU   9           H        GLU   9  20.412  -4.421  -2.557
  432    HA   GLU   9           HA       GLU   9  17.787  -5.483  -2.222
  433   1HB   GLU   9          1HB       GLU   9  19.573  -4.039  -0.256
  434   2HB   GLU   9          2HB       GLU   9  18.106  -4.911   0.165
  435   1HG   GLU   9          1HG       GLU   9  19.167  -6.966  -0.803
  436   2HG   GLU   9          2HG       GLU   9  20.664  -6.044  -0.933
  437    H    ILE  10           H        ILE  10  18.856  -2.435  -3.116
  438    HA   ILE  10           HA       ILE  10  16.696  -0.951  -1.884
  439    HB   ILE  10           HB       ILE  10  19.041  -0.189  -3.621
  440   1HG1  ILE  10          1HG1      ILE  10  18.279   0.684  -0.833
  441   2HG1  ILE  10          2HG1      ILE  10  19.379  -0.644  -1.187
  442   1HG2  ILE  10          1HG2      ILE  10  17.077   1.187  -4.255
  443   2HG2  ILE  10          2HG2      ILE  10  16.973   1.736  -2.581
  444   3HG2  ILE  10          3HG2      ILE  10  18.400   2.112  -3.549
  445   1HD1  ILE  10          1HD1      ILE  10  20.034   1.910  -2.478
  446   2HD1  ILE  10          2HD1      ILE  10  20.157   1.887  -0.719
  447   3HD1  ILE  10          3HD1      ILE  10  21.078   0.733  -1.684
  448    H    SER  11           H        SER  11  17.556  -2.444  -4.897
  449    HA   SER  11           HA       SER  11  15.528  -1.089  -6.434
  450   1HB   SER  11          1HB       SER  11  17.410  -3.378  -6.999
  451   2HB   SER  11          2HB       SER  11  16.128  -2.942  -8.130
  452    HG   SER  11           HG       SER  11  17.113  -0.715  -7.857
  453    H    HIS  12           H        HIS  12  15.886  -4.025  -4.595
  454    HA   HIS  12           HA       HIS  12  13.463  -5.216  -5.572
  455   1HB   HIS  12          1HB       HIS  12  14.675  -6.969  -4.834
  456   2HB   HIS  12          2HB       HIS  12  15.672  -5.957  -3.806
  457    HD1  HIS  12           HD1      HIS  12  12.530  -8.022  -3.754
  458    HD2  HIS  12           HD2      HIS  12  14.999  -5.956  -1.131
  459    HE1  HIS  12           HE1      HIS  12  11.783  -8.708  -1.452
  460    HE2  HIS  12           HE2      HIS  12  13.294  -7.449   0.124
  461    H    HIS  13           H        HIS  13  14.454  -3.605  -2.526
  462    HA   HIS  13           HA       HIS  13  11.872  -3.707  -1.361
  463   1HB   HIS  13          1HB       HIS  13  14.121  -1.750  -0.841
  464   2HB   HIS  13          2HB       HIS  13  12.690  -1.947   0.162
  465    HD1  HIS  13           HD1      HIS  13  12.785  -5.149   0.042
  466    HD2  HIS  13           HD2      HIS  13  15.861  -2.576   1.112
  467    HE1  HIS  13           HE1      HIS  13  14.324  -6.514   1.492
  468    HE2  HIS  13           HE2      HIS  13  16.185  -4.936   2.129
  469    H    ALA  14           H        ALA  14  13.365  -1.622  -3.699
  470    HA   ALA  14           HA       ALA  14  11.615   0.593  -3.439
  471   1HB   ALA  14          1HB       ALA  14  13.447  -0.369  -5.610
  472   2HB   ALA  14          2HB       ALA  14  13.589   1.062  -4.588
  473   3HB   ALA  14          3HB       ALA  14  12.378   1.010  -5.869
  474    H    LYS  15           H        LYS  15  11.647  -2.215  -5.609
  475    HA   LYS  15           HA       LYS  15   9.221  -1.537  -6.924
  476   1HB   LYS  15          1HB       LYS  15  11.225  -3.467  -7.235
  477   2HB   LYS  15          2HB       LYS  15   9.762  -4.382  -6.899
  478   1HG   LYS  15          1HG       LYS  15   9.270  -4.188  -9.050
  479   2HG   LYS  15          2HG       LYS  15   8.967  -2.475  -8.750
  480   1HD   LYS  15          1HD       LYS  15  11.259  -1.935  -9.306
  481   2HD   LYS  15          2HD       LYS  15  11.647  -3.647  -9.490
  482   1HE   LYS  15          1HE       LYS  15  11.305  -3.093 -11.678
  483   2HE   LYS  15          2HE       LYS  15   9.663  -3.549 -11.227
  484   1HZ   LYS  15          1HZ       LYS  15  10.431  -0.758 -10.847
  485   2HZ   LYS  15          2HZ       LYS  15  10.207  -1.285 -12.438
  486   3HZ   LYS  15          3HZ       LYS  15   8.946  -1.416 -11.318
  487    H    GLU  16           H        GLU  16   9.933  -2.908  -3.863
  488    HA   GLU  16           HA       GLU  16   7.456  -4.344  -3.584
  489   1HB   GLU  16          1HB       GLU  16   9.628  -3.613  -1.621
  490   2HB   GLU  16          2HB       GLU  16   8.192  -4.523  -1.174
  491   1HG   GLU  16          1HG       GLU  16   9.844  -5.494  -3.447
  492   2HG   GLU  16          2HG       GLU  16  10.435  -5.727  -1.802
  493    H    ILE  17           H        ILE  17   8.722  -1.196  -2.549
  494    HA   ILE  17           HA       ILE  17   6.370  -0.584  -0.999
  495    HB   ILE  17           HB       ILE  17   8.495   0.403  -0.366
  496   1HG1  ILE  17          1HG1      ILE  17   6.249   1.632  -0.096
  497   2HG1  ILE  17          2HG1      ILE  17   7.725   2.565   0.124
  498   1HG2  ILE  17          1HG2      ILE  17   8.609   1.085  -3.190
  499   2HG2  ILE  17          2HG2      ILE  17   9.030   2.434  -2.136
  500   3HG2  ILE  17          3HG2      ILE  17   9.908   0.910  -2.010
  501   1HD1  ILE  17          1HD1      ILE  17   6.963   2.711  -2.612
  502   2HD1  ILE  17          2HD1      ILE  17   5.561   3.078  -1.608
  503   3HD1  ILE  17          3HD1      ILE  17   7.052   4.001  -1.413
  504    H    GLU  18           H        GLU  18   7.454  -0.094  -4.272
  505    HA   GLU  18           HA       GLU  18   5.399   1.833  -4.893
  506   1HB   GLU  18          1HB       GLU  18   7.809   1.008  -6.086
  507   2HB   GLU  18          2HB       GLU  18   6.541   0.557  -7.217
  508   1HG   GLU  18          1HG       GLU  18   5.770   2.797  -7.374
  509   2HG   GLU  18          2HG       GLU  18   6.793   3.307  -6.032
  510    H    ARG  19           H        ARG  19   5.923  -1.621  -5.245
  511    HA   ARG  19           HA       ARG  19   3.624  -2.059  -6.894
  512   1HB   ARG  19          1HB       ARG  19   5.461  -3.874  -5.349
  513   2HB   ARG  19          2HB       ARG  19   4.024  -4.493  -6.149
  514   1HG   ARG  19          1HG       ARG  19   4.837  -3.882  -8.286
  515   2HG   ARG  19          2HG       ARG  19   6.148  -2.927  -7.587
  516   1HD   ARG  19          1HD       ARG  19   7.155  -4.928  -8.296
  517   2HD   ARG  19          2HD       ARG  19   6.968  -5.098  -6.550
  518    HE   ARG  19           HE       ARG  19   4.728  -6.188  -7.886
  519   1HH1  ARG  19          1HH1      ARG  19   8.089  -6.816  -7.228
  520   2HH1  ARG  19          2HH1      ARG  19   7.922  -8.537  -7.330
  521   1HH2  ARG  19          1HH2      ARG  19   4.496  -8.454  -8.022
  522   2HH2  ARG  19          2HH2      ARG  19   5.880  -9.468  -7.782
  523    H    LEU  20           H        LEU  20   4.310  -2.095  -3.453
  524    HA   LEU  20           HA       LEU  20   1.840  -3.284  -2.677
  525   1HB   LEU  20          1HB       LEU  20   3.872  -1.638  -1.174
  526   2HB   LEU  20          2HB       LEU  20   2.439  -2.309  -0.419
  527    HG   LEU  20           HG       LEU  20   4.362  -4.098  -1.867
  528   1HD1  LEU  20          1HD1      LEU  20   5.230  -2.488   0.155
  529   2HD1  LEU  20          2HD1      LEU  20   4.702  -3.923   1.033
  530   3HD1  LEU  20          3HD1      LEU  20   5.906  -4.067  -0.248
  531   1HD2  LEU  20          1HD2      LEU  20   2.011  -4.377  -0.175
  532   2HD2  LEU  20          2HD2      LEU  20   2.764  -5.536  -1.271
  533   3HD2  LEU  20          3HD2      LEU  20   3.374  -5.353   0.375
  534    H    GLN  21           H        GLN  21   3.014   0.025  -3.049
  535    HA   GLN  21           HA       GLN  21   0.778   1.346  -1.978
  536   1HB   GLN  21          1HB       GLN  21   3.091   2.291  -2.620
  537   2HB   GLN  21          2HB       GLN  21   2.429   2.444  -4.241
  538   1HG   GLN  21          1HG       GLN  21   0.514   3.591  -2.588
  539   2HG   GLN  21          2HG       GLN  21   2.061   4.127  -1.933
  540   2HE2  GLN  21          2HE2      GLN  21   3.653   4.711  -3.817
  541   1HE2  GLN  21          1HE2      GLN  21   2.997   5.795  -4.990
  542    H    LYS  22           H        LYS  22   1.502   0.212  -5.250
  543    HA   LYS  22           HA       LYS  22  -0.723   1.374  -6.527
  544   1HB   LYS  22          1HB       LYS  22   1.387   0.219  -7.524
  545   2HB   LYS  22          2HB       LYS  22   0.438  -1.255  -7.391
  546   1HG   LYS  22          1HG       LYS  22  -0.852   1.056  -8.711
  547   2HG   LYS  22          2HG       LYS  22   0.459   0.256  -9.578
  548   1HD   LYS  22          1HD       LYS  22  -1.129  -1.158 -10.289
  549   2HD   LYS  22          2HD       LYS  22  -1.010  -1.866  -8.677
  550   1HE   LYS  22          1HE       LYS  22  -3.161  -1.382  -8.389
  551   2HE   LYS  22          2HE       LYS  22  -2.714   0.323  -8.388
  552   1HZ   LYS  22          1HZ       LYS  22  -3.009   0.340 -10.804
  553   2HZ   LYS  22          2HZ       LYS  22  -3.501  -1.279 -10.762
  554   3HZ   LYS  22          3HZ       LYS  22  -4.435  -0.090 -10.003
  555    H    GLU  23           H        GLU  23  -0.267  -1.772  -4.971
  556    HA   GLU  23           HA       GLU  23  -2.752  -2.886  -5.651
  557   1HB   GLU  23          1HB       GLU  23  -0.510  -3.633  -4.115
  558   2HB   GLU  23          2HB       GLU  23  -1.899  -3.761  -3.044
  559   1HG   GLU  23          1HG       GLU  23  -1.974  -4.960  -5.780
  560   2HG   GLU  23          2HG       GLU  23  -1.193  -5.804  -4.443
  561    H    ILE  24           H        ILE  24  -1.770  -0.863  -2.922
  562    HA   ILE  24           HA       ILE  24  -4.187  -1.089  -1.481
  563    HB   ILE  24           HB       ILE  24  -3.363   0.431   0.006
  564   1HG1  ILE  24          1HG1      ILE  24  -1.657   2.283  -0.849
  565   2HG1  ILE  24          2HG1      ILE  24  -2.487   2.002  -2.376
  566   1HG2  ILE  24          1HG2      ILE  24  -1.506  -1.249  -0.915
  567   2HG2  ILE  24          2HG2      ILE  24  -0.685   0.282  -1.214
  568   3HG2  ILE  24          3HG2      ILE  24  -1.222  -0.127   0.414
  569   1HD1  ILE  24          1HD1      ILE  24  -4.462   2.251  -0.371
  570   2HD1  ILE  24          2HD1      ILE  24  -3.310   3.573  -0.164
  571   3HD1  ILE  24          3HD1      ILE  24  -4.115   3.339  -1.717
  572    H    GLU  25           H        GLU  25  -3.138   1.026  -4.071
  573    HA   GLU  25           HA       GLU  25  -5.229   2.892  -3.992
  574   1HB   GLU  25          1HB       GLU  25  -3.096   3.049  -5.339
  575   2HB   GLU  25          2HB       GLU  25  -3.820   1.927  -6.483
  576   1HG   GLU  25          1HG       GLU  25  -5.664   3.530  -6.834
  577   2HG   GLU  25          2HG       GLU  25  -4.842   4.664  -5.763
  578    H    ARG  26           H        ARG  26  -4.920  -0.201  -5.698
  579    HA   ARG  26           HA       ARG  26  -7.296  -0.118  -7.151
  580   1HB   ARG  26          1HB       ARG  26  -5.604  -1.834  -7.523
  581   2HB   ARG  26          2HB       ARG  26  -5.896  -2.501  -5.922
  582   1HG   ARG  26          1HG       ARG  26  -7.986  -3.353  -6.530
  583   2HG   ARG  26          2HG       ARG  26  -8.073  -2.345  -7.975
  584   1HD   ARG  26          1HD       ARG  26  -6.633  -3.689  -9.165
  585   2HD   ARG  26          2HD       ARG  26  -5.855  -4.319  -7.714
  586    HE   ARG  26           HE       ARG  26  -8.213  -5.346  -9.010
  587   1HH1  ARG  26          1HH1      ARG  26  -6.385  -5.196  -6.051
  588   2HH1  ARG  26          2HH1      ARG  26  -7.049  -6.664  -5.414
  589   1HH2  ARG  26          1HH2      ARG  26  -9.095  -7.280  -8.182
  590   2HH2  ARG  26          2HH2      ARG  26  -8.590  -7.849  -6.625
  591    H    HIS  27           H        HIS  27  -6.681  -1.463  -3.915
  592    HA   HIS  27           HA       HIS  27  -9.354  -2.199  -3.390
  593   1HB   HIS  27          1HB       HIS  27  -6.853  -2.227  -1.997
  594   2HB   HIS  27          2HB       HIS  27  -8.078  -1.533  -0.941
  595    HD1  HIS  27           HD1      HIS  27 -10.258  -3.082  -0.571
  596    HD2  HIS  27           HD2      HIS  27  -6.914  -4.947  -2.186
  597    HE1  HIS  27           HE1      HIS  27 -10.646  -5.548  -0.259
  598    HE2  HIS  27           HE2      HIS  27  -8.609  -6.658  -1.244
  599    H    LYS  28           H        LYS  28  -7.697   0.830  -3.293
  600    HA   LYS  28           HA       LYS  28  -9.577   2.149  -1.569
  601   1HB   LYS  28          1HB       LYS  28  -7.106   2.766  -1.991
  602   2HB   LYS  28          2HB       LYS  28  -7.696   3.542  -3.454
  603   1HG   LYS  28          1HG       LYS  28  -9.381   4.511  -1.506
  604   2HG   LYS  28          2HG       LYS  28  -7.816   4.429  -0.693
  605   1HD   LYS  28          1HD       LYS  28  -8.043   5.625  -3.429
  606   2HD   LYS  28          2HD       LYS  28  -8.458   6.576  -2.001
  607   1HE   LYS  28          1HE       LYS  28  -6.225   6.121  -1.074
  608   2HE   LYS  28          2HE       LYS  28  -5.818   5.217  -2.533
  609   1HZ   LYS  28          1HZ       LYS  28  -6.730   8.009  -2.741
  610   2HZ   LYS  28          2HZ       LYS  28  -5.122   7.677  -2.332
  611   3HZ   LYS  28          3HZ       LYS  28  -5.753   7.122  -3.800
  612    H    GLN  29           H        GLN  29  -9.319   1.481  -4.949
  613    HA   GLN  29           HA       GLN  29 -11.117   3.544  -5.811
  614   1HB   GLN  29          1HB       GLN  29  -9.310   2.331  -7.199
  615   2HB   GLN  29          2HB       GLN  29 -10.492   1.039  -7.355
  616   1HG   GLN  29          1HG       GLN  29 -11.352   2.102  -9.087
  617   2HG   GLN  29          2HG       GLN  29 -11.851   3.397  -8.001
  618   2HE2  GLN  29          2HE2      GLN  29 -10.878   5.331  -8.134
  619   1HE2  GLN  29          1HE2      GLN  29  -9.576   5.705  -9.204
  620    H    SER  30           H        SER  30 -11.351   0.105  -5.053
  621    HA   SER  30           HA       SER  30 -14.071  -0.167  -5.844
  622   1HB   SER  30          1HB       SER  30 -12.104  -1.828  -4.342
  623   2HB   SER  30          2HB       SER  30 -13.814  -2.215  -4.155
  624    HG   SER  30           HG       SER  30 -12.848  -3.352  -5.897
  625    H    ILE  31           H        ILE  31 -12.462   0.499  -2.766
  626    HA   ILE  31           HA       ILE  31 -14.896   0.482  -1.249
  627    HB   ILE  31           HB       ILE  31 -12.793  -0.045  -0.164
  628   1HG1  ILE  31          1HG1      ILE  31 -12.885   1.770   1.685
  629   2HG1  ILE  31          2HG1      ILE  31 -14.235   2.424   0.762
  630   1HG2  ILE  31          1HG2      ILE  31 -11.756   2.012  -1.673
  631   2HG2  ILE  31          2HG2      ILE  31 -11.720   2.650  -0.028
  632   3HG2  ILE  31          3HG2      ILE  31 -10.914   1.127  -0.401
  633   1HD1  ILE  31          1HD1      ILE  31 -15.289   0.146   0.923
  634   2HD1  ILE  31          2HD1      ILE  31 -14.023  -0.259   2.081
  635   3HD1  ILE  31          3HD1      ILE  31 -15.155   1.046   2.434
  636    H    LYS  32           H        LYS  32 -13.078   2.836  -3.042
  637    HA   LYS  32           HA       LYS  32 -14.371   5.121  -1.863
  638   1HB   LYS  32          1HB       LYS  32 -12.118   5.341  -2.758
  639   2HB   LYS  32          2HB       LYS  32 -12.676   4.851  -4.352
  640   1HG   LYS  32          1HG       LYS  32 -13.655   6.868  -4.787
  641   2HG   LYS  32          2HG       LYS  32 -13.937   7.222  -3.081
  642   1HD   LYS  32          1HD       LYS  32 -11.165   7.103  -4.227
  643   2HD   LYS  32          2HD       LYS  32 -12.134   8.575  -4.306
  644   1HE   LYS  32          1HE       LYS  32 -12.113   7.367  -1.656
  645   2HE   LYS  32          2HE       LYS  32 -10.503   7.812  -2.220
  646   1HZ   LYS  32          1HZ       LYS  32 -11.490  10.042  -2.764
  647   2HZ   LYS  32          2HZ       LYS  32 -12.862   9.572  -1.893
  648   3HZ   LYS  32          3HZ       LYS  32 -11.364   9.684  -1.115
  649    H    LYS  33           H        LYS  33 -14.958   2.956  -4.503
  650    HA   LYS  33           HA       LYS  33 -16.819   4.677  -5.864
  651   1HB   LYS  33          1HB       LYS  33 -15.591   3.018  -7.138
  652   2HB   LYS  33          2HB       LYS  33 -16.241   1.722  -6.143
  653   1HG   LYS  33          1HG       LYS  33 -18.367   1.907  -7.076
  654   2HG   LYS  33          2HG       LYS  33 -18.045   3.517  -7.721
  655   1HD   LYS  33          1HD       LYS  33 -17.466   2.588  -9.656
  656   2HD   LYS  33          2HD       LYS  33 -16.115   1.798  -8.841
  657   1HE   LYS  33          1HE       LYS  33 -17.176  -0.045  -9.658
  658   2HE   LYS  33          2HE       LYS  33 -18.019   0.108  -8.117
  659   1HZ   LYS  33          1HZ       LYS  33 -19.136   1.550 -10.395
  660   2HZ   LYS  33          2HZ       LYS  33 -19.295  -0.134 -10.402
  661   3HZ   LYS  33          3HZ       LYS  33 -19.923   0.768  -9.117
  662    H    LEU  34           H        LEU  34 -16.997   1.994  -3.584
  663    HA   LEU  34           HA       LEU  34 -19.848   1.796  -3.658
  664   1HB   LEU  34          1HB       LEU  34 -17.636   0.530  -2.207
  665   2HB   LEU  34          2HB       LEU  34 -19.105   0.689  -1.263
  666    HG   LEU  34           HG       LEU  34 -19.613  -0.362  -3.933
  667   1HD1  LEU  34          1HD1      LEU  34 -17.240  -1.224  -3.140
  668   2HD1  LEU  34          2HD1      LEU  34 -18.234  -2.322  -2.183
  669   3HD1  LEU  34          3HD1      LEU  34 -18.398  -2.287  -3.939
  670   1HD2  LEU  34          1HD2      LEU  34 -20.978  -0.315  -1.671
  671   2HD2  LEU  34          2HD2      LEU  34 -21.162  -1.628  -2.835
  672   3HD2  LEU  34          3HD2      LEU  34 -20.142  -1.846  -1.413
  673    H    LYS  35           H        LYS  35 -17.514   3.571  -1.746
  674    HA   LYS  35           HA       LYS  35 -19.409   4.416   0.237
  675   1HB   LYS  35          1HB       LYS  35 -16.960   4.224   0.667
  676   2HB   LYS  35          2HB       LYS  35 -16.698   5.586  -0.415
  677   1HG   LYS  35          1HG       LYS  35 -18.018   7.017   1.059
  678   2HG   LYS  35          2HG       LYS  35 -18.285   5.650   2.144
  679   1HD   LYS  35          1HD       LYS  35 -15.551   6.682   1.410
  680   2HD   LYS  35          2HD       LYS  35 -16.448   7.226   2.830
  681   1HE   LYS  35          1HE       LYS  35 -16.388   5.081   3.812
  682   2HE   LYS  35          2HE       LYS  35 -15.874   4.322   2.306
  683   1HZ   LYS  35          1HZ       LYS  35 -14.219   6.289   3.782
  684   2HZ   LYS  35          2HZ       LYS  35 -14.092   4.617   4.005
  685   3HZ   LYS  35          3HZ       LYS  35 -13.741   5.299   2.496
  686    H    GLN  36           H        GLN  36 -18.190   5.659  -2.796
  687    HA   GLN  36           HA       GLN  36 -19.274   8.290  -2.469
  688   1HB   GLN  36          1HB       GLN  36 -17.354   7.846  -3.945
  689   2HB   GLN  36          2HB       GLN  36 -18.376   6.852  -4.975
  690   1HG   GLN  36          1HG       GLN  36 -19.764   8.830  -5.454
  691   2HG   GLN  36          2HG       GLN  36 -18.663   9.808  -4.486
  692   2HE2  GLN  36          2HE2      GLN  36 -18.426   7.385  -7.073
  693   1HE2  GLN  36          1HE2      GLN  36 -17.296   8.272  -8.033
  694    H    SER  37           H        SER  37 -20.414   5.251  -3.739
  695    HA   SER  37           HA       SER  37 -22.653   6.315  -5.152
  696   1HB   SER  37          1HB       SER  37 -22.032   3.526  -4.159
  697   2HB   SER  37          2HB       SER  37 -23.441   3.924  -5.140
  698    HG   SER  37           HG       SER  37 -21.850   3.272  -6.530
  699    H    GLU  38           H        GLU  38 -22.023   5.440  -1.860
  700    HA   GLU  38           HA       GLU  38 -24.731   5.142  -1.032
  701   1HB   GLU  38          1HB       GLU  38 -22.157   4.904   0.146
  702   2HB   GLU  38          2HB       GLU  38 -23.085   6.026   1.132
  703   1HG   GLU  38          1HG       GLU  38 -24.862   3.976   0.649
  704   2HG   GLU  38          2HG       GLU  38 -23.319   3.149   0.860
  705    H    ASP  39           H        ASP  39 -22.608   7.853  -1.492
  706    HA   ASP  39           HA       ASP  39 -24.141   9.707   0.064
  707   1HB   ASP  39          1HB       ASP  39 -21.797   9.856  -1.761
  708   2HB   ASP  39          2HB       ASP  39 -22.725  11.333  -1.523
  709    H    ASP  40           H        ASP  40 -23.903   8.894  -3.371
  710    HA   ASP  40           HA       ASP  40 -26.583   9.735  -3.861
  711   1HB   ASP  40          1HB       ASP  40 -26.100  11.540  -5.446
  712   2HB   ASP  40          2HB       ASP  40 -25.506  11.944  -3.839
  713    H    ASP  41           H        ASP  41 -27.380   8.926  -5.777
  714    HA   ASP  41           HA       ASP  41 -25.554   7.152  -7.230
  715   1HB   ASP  41          1HB       ASP  41 -28.535   7.170  -6.834
  716   2HB   ASP  41          2HB       ASP  41 -27.801   6.236  -8.135

  No H/Q in entry =         716
  Start of MODEL   17
    1    H1   ALA   1           H1       ALA   1 -30.910  -5.213   0.996
    2    H2   ALA   1           H2       ALA   1 -31.913  -3.981   1.645
    3    H3   ALA   1           H3       ALA   1 -30.298  -4.146   2.193
    4    HA   ALA   1           HA       ALA   1 -31.355  -5.142   3.861
    5   1HB   ALA   1          1HB       ALA   1 -33.494  -5.198   1.997
    6   2HB   ALA   1          2HB       ALA   1 -33.328  -6.811   2.691
    7   3HB   ALA   1          3HB       ALA   1 -33.551  -5.416   3.747
    8    H    LEU   2           H        LEU   2 -31.944  -7.372   1.148
    9    HA   LEU   2           HA       LEU   2 -30.784  -9.585   2.447
   10   1HB   LEU   2          1HB       LEU   2 -32.431  -9.598   0.517
   11   2HB   LEU   2          2HB       LEU   2 -31.070  -9.250  -0.533
   12    HG   LEU   2           HG       LEU   2 -30.928 -11.627   1.270
   13   1HD1  LEU   2          1HD1      LEU   2 -33.146 -11.404  -0.185
   14   2HD1  LEU   2          2HD1      LEU   2 -32.064 -12.017  -1.436
   15   3HD1  LEU   2          3HD1      LEU   2 -32.312 -12.941   0.045
   16   1HD2  LEU   2          1HD2      LEU   2 -29.639 -10.633  -1.203
   17   2HD2  LEU   2          2HD2      LEU   2 -28.948 -11.495   0.172
   18   3HD2  LEU   2          3HD2      LEU   2 -29.859 -12.376  -1.055
   19    H    LYS   3           H        LYS   3 -29.430  -7.022   0.557
   20    HA   LYS   3           HA       LYS   3 -26.919  -8.430   0.137
   21   1HB   LYS   3          1HB       LYS   3 -27.920  -5.701  -0.660
   22   2HB   LYS   3          2HB       LYS   3 -26.250  -6.195  -0.900
   23   1HG   LYS   3          1HG       LYS   3 -28.722  -7.348  -2.155
   24   2HG   LYS   3          2HG       LYS   3 -27.355  -6.561  -2.947
   25   1HD   LYS   3          1HD       LYS   3 -25.977  -8.501  -1.885
   26   2HD   LYS   3          2HD       LYS   3 -27.544  -9.303  -1.771
   27   1HE   LYS   3          1HE       LYS   3 -27.803  -8.705  -4.255
   28   2HE   LYS   3          2HE       LYS   3 -26.067  -8.397  -4.221
   29   1HZ   LYS   3          1HZ       LYS   3 -27.026 -10.938  -3.134
   30   2HZ   LYS   3          2HZ       LYS   3 -27.036 -10.751  -4.815
   31   3HZ   LYS   3          3HZ       LYS   3 -25.588 -10.588  -3.955
   32    H    LYS   4           H        LYS   4 -27.397  -8.262   2.799
   33    HA   LYS   4           HA       LYS   4 -26.326  -5.945   4.038
   34   1HB   LYS   4          1HB       LYS   4 -27.010  -8.711   4.920
   35   2HB   LYS   4          2HB       LYS   4 -25.978  -7.740   5.960
   36   1HG   LYS   4          1HG       LYS   4 -28.261  -6.221   5.081
   37   2HG   LYS   4          2HG       LYS   4 -28.759  -7.728   5.850
   38   1HD   LYS   4          1HD       LYS   4 -26.694  -6.707   7.446
   39   2HD   LYS   4          2HD       LYS   4 -27.714  -5.325   7.043
   40   1HE   LYS   4          1HE       LYS   4 -28.398  -7.821   8.536
   41   2HE   LYS   4          2HE       LYS   4 -28.716  -6.140   8.963
   42   1HZ   LYS   4          1HZ       LYS   4 -30.188  -6.269   6.815
   43   2HZ   LYS   4          2HZ       LYS   4 -30.208  -7.920   7.180
   44   3HZ   LYS   4          3HZ       LYS   4 -30.780  -6.797   8.308
   45    H    HIS   5           H        HIS   5 -24.936  -8.958   2.894
   46    HA   HIS   5           HA       HIS   5 -22.454  -8.887   4.121
   47   1HB   HIS   5          1HB       HIS   5 -21.641 -10.178   2.152
   48   2HB   HIS   5          2HB       HIS   5 -23.145 -10.804   2.819
   49    HD1  HIS   5           HD1      HIS   5 -24.616 -11.551   0.991
   50    HD2  HIS   5           HD2      HIS   5 -22.482  -8.142  -0.056
   51    HE1  HIS   5           HE1      HIS   5 -25.376 -10.969  -1.335
   52    HE2  HIS   5           HE2      HIS   5 -24.071  -8.903  -1.949
   53    H    HIS   6           H        HIS   6 -23.727  -6.884   1.605
   54    HA   HIS   6           HA       HIS   6 -21.365  -5.980   0.410
   55   1HB   HIS   6          1HB       HIS   6 -24.114  -5.354   0.270
   56   2HB   HIS   6          2HB       HIS   6 -23.282  -3.841   0.615
   57    HD1  HIS   6           HD1      HIS   6 -21.671  -6.487  -1.492
   58    HD2  HIS   6           HD2      HIS   6 -23.643  -2.861  -1.970
   59    HE1  HIS   6           HE1      HIS   6 -21.306  -5.834  -3.894
   60    HE2  HIS   6           HE2      HIS   6 -22.509  -3.636  -4.161
   61    H    GLU   7           H        GLU   7 -23.147  -4.713   3.211
   62    HA   GLU   7           HA       GLU   7 -21.525  -2.495   3.716
   63   1HB   GLU   7          1HB       GLU   7 -23.745  -2.978   4.778
   64   2HB   GLU   7          2HB       GLU   7 -22.946  -4.174   5.789
   65   1HG   GLU   7          1HG       GLU   7 -21.526  -1.708   5.969
   66   2HG   GLU   7          2HG       GLU   7 -23.242  -1.413   6.247
   67    H    ASN   8           H        ASN   8 -21.010  -5.865   4.301
   68    HA   ASN   8           HA       ASN   8 -18.946  -5.554   6.256
   69   1HB   ASN   8          1HB       ASN   8 -19.524  -7.907   4.440
   70   2HB   ASN   8          2HB       ASN   8 -18.505  -7.934   5.875
   71   2HD2  ASN   8          2HD2      ASN   8 -19.804  -9.561   6.766
   72   1HD2  ASN   8          1HD2      ASN   8 -21.350  -9.206   7.451
   73    H    GLU   9           H        GLU   9 -18.876  -6.521   2.823
   74    HA   GLU   9           HA       GLU   9 -16.102  -6.429   2.510
   75   1HB   GLU   9          1HB       GLU   9 -18.286  -6.969   0.881
   76   2HB   GLU   9          2HB       GLU   9 -17.550  -5.558   0.135
   77   1HG   GLU   9          1HG       GLU   9 -15.398  -7.189   0.684
   78   2HG   GLU   9          2HG       GLU   9 -16.661  -8.316   0.186
   79    H    ILE  10           H        ILE  10 -18.408  -3.900   2.836
   80    HA   ILE  10           HA       ILE  10 -16.906  -1.863   1.530
   81    HB   ILE  10           HB       ILE  10 -19.498  -2.119   2.589
   82   1HG1  ILE  10          1HG1      ILE  10 -18.963   0.561   1.683
   83   2HG1  ILE  10          2HG1      ILE  10 -18.111  -0.609   0.678
   84   1HG2  ILE  10          1HG2      ILE  10 -18.016   0.077   4.011
   85   2HG2  ILE  10          2HG2      ILE  10 -19.767   0.068   3.799
   86   3HG2  ILE  10          3HG2      ILE  10 -18.984  -1.220   4.715
   87   1HD1  ILE  10          1HD1      ILE  10 -20.688  -1.641   1.051
   88   2HD1  ILE  10          2HD1      ILE  10 -20.885   0.077   0.706
   89   3HD1  ILE  10          3HD1      ILE  10 -19.998  -0.951  -0.419
   90    H    SER  11           H        SER  11 -17.510  -2.590   4.973
   91    HA   SER  11           HA       SER  11 -15.738  -0.658   5.989
   92   1HB   SER  11          1HB       SER  11 -17.566  -2.239   7.139
   93   2HB   SER  11          2HB       SER  11 -16.126  -3.184   7.516
   94    HG   SER  11           HG       SER  11 -15.974  -1.822   9.116
   95    H    HIS  12           H        HIS  12 -15.218  -3.807   4.653
   96    HA   HIS  12           HA       HIS  12 -12.637  -4.217   5.794
   97   1HB   HIS  12          1HB       HIS  12 -13.269  -6.280   5.148
   98   2HB   HIS  12          2HB       HIS  12 -14.464  -5.646   4.030
   99    HD1  HIS  12           HD1      HIS  12 -10.934  -6.888   4.194
  100    HD2  HIS  12           HD2      HIS  12 -13.661  -5.545   1.363
  101    HE1  HIS  12           HE1      HIS  12  -9.927  -7.469   1.963
  102    HE2  HIS  12           HE2      HIS  12 -11.594  -6.648   0.262
  103    H    HIS  13           H        HIS  13 -13.776  -3.110   2.592
  104    HA   HIS  13           HA       HIS  13 -11.235  -2.739   1.463
  105   1HB   HIS  13          1HB       HIS  13 -13.769  -1.185   0.931
  106   2HB   HIS  13          2HB       HIS  13 -12.340  -1.171  -0.090
  107    HD1  HIS  13           HD1      HIS  13 -11.971  -4.381   0.175
  108    HD2  HIS  13           HD2      HIS  13 -15.338  -2.281  -1.038
  109    HE1  HIS  13           HE1      HIS  13 -13.291  -5.994  -1.237
  110    HE2  HIS  13           HE2      HIS  13 -15.332  -4.702  -1.963
  111    H    ALA  14           H        ALA  14 -13.118  -0.795   3.665
  112    HA   ALA  14           HA       ALA  14 -11.724   1.640   3.365
  113   1HB   ALA  14          1HB       ALA  14 -12.686   1.205   6.064
  114   2HB   ALA  14          2HB       ALA  14 -13.890   0.749   4.858
  115   3HB   ALA  14          3HB       ALA  14 -13.212   2.377   4.855
  116    H    LYS  15           H        LYS  15 -11.421  -0.898   5.858
  117    HA   LYS  15           HA       LYS  15  -9.118   0.215   7.055
  118   1HB   LYS  15          1HB       LYS  15 -10.750  -2.127   7.385
  119   2HB   LYS  15          2HB       LYS  15  -9.054  -2.590   7.419
  120   1HG   LYS  15          1HG       LYS  15  -8.605  -1.277   9.288
  121   2HG   LYS  15          2HG       LYS  15 -10.066  -0.310   9.075
  122   1HD   LYS  15          1HD       LYS  15 -10.233  -3.251   9.630
  123   2HD   LYS  15          2HD       LYS  15 -10.019  -2.092  10.944
  124   1HE   LYS  15          1HE       LYS  15 -12.147  -1.408  10.829
  125   2HE   LYS  15          2HE       LYS  15 -12.121  -1.337   9.068
  126   1HZ   LYS  15          1HZ       LYS  15 -12.462  -3.812  10.675
  127   2HZ   LYS  15          2HZ       LYS  15 -13.708  -2.974   9.898
  128   3HZ   LYS  15          3HZ       LYS  15 -12.489  -3.711   8.987
  129    H    GLU  16           H        GLU  16  -9.563  -1.411   4.095
  130    HA   GLU  16           HA       GLU  16  -6.887  -2.479   3.940
  131   1HB   GLU  16          1HB       GLU  16  -9.102  -2.270   1.895
  132   2HB   GLU  16          2HB       GLU  16  -7.550  -3.040   1.594
  133   1HG   GLU  16          1HG       GLU  16  -8.872  -4.036   3.986
  134   2HG   GLU  16          2HG       GLU  16  -9.814  -4.278   2.515
  135    H    ILE  17           H        ILE  17  -8.638   0.374   2.829
  136    HA   ILE  17           HA       ILE  17  -6.509   1.224   1.091
  137    HB   ILE  17           HB       ILE  17  -7.805   3.069   0.544
  138   1HG1  ILE  17          1HG1      ILE  17  -9.848   3.651   2.139
  139   2HG1  ILE  17          2HG1      ILE  17  -8.820   2.902   3.356
  140   1HG2  ILE  17          1HG2      ILE  17  -9.024   0.610   0.637
  141   2HG2  ILE  17          2HG2      ILE  17 -10.228   1.684   1.341
  142   3HG2  ILE  17          3HG2      ILE  17  -9.586   2.015  -0.265
  143   1HD1  ILE  17          1HD1      ILE  17  -7.179   4.676   1.943
  144   2HD1  ILE  17          2HD1      ILE  17  -8.693   5.529   2.241
  145   3HD1  ILE  17          3HD1      ILE  17  -7.788   4.840   3.590
  146    H    GLU  18           H        GLU  18  -7.518   1.888   4.393
  147    HA   GLU  18           HA       GLU  18  -5.562   3.956   4.800
  148   1HB   GLU  18          1HB       GLU  18  -7.833   3.550   6.037
  149   2HB   GLU  18          2HB       GLU  18  -6.883   2.460   7.037
  150   1HG   GLU  18          1HG       GLU  18  -5.449   4.238   7.733
  151   2HG   GLU  18          2HG       GLU  18  -6.192   5.352   6.586
  152    H    ARG  19           H        ARG  19  -5.853   0.513   5.503
  153    HA   ARG  19           HA       ARG  19  -3.419   0.366   6.998
  154   1HB   ARG  19          1HB       ARG  19  -5.298  -1.263   7.228
  155   2HB   ARG  19          2HB       ARG  19  -4.921  -1.869   5.620
  156   1HG   ARG  19          1HG       ARG  19  -2.528  -2.186   6.666
  157   2HG   ARG  19          2HG       ARG  19  -3.441  -2.206   8.175
  158   1HD   ARG  19          1HD       ARG  19  -4.443  -4.185   7.702
  159   2HD   ARG  19          2HD       ARG  19  -4.496  -3.867   5.969
  160    HE   ARG  19           HE       ARG  19  -1.827  -4.251   6.708
  161   1HH1  ARG  19          1HH1      ARG  19  -4.801  -6.051   6.493
  162   2HH1  ARG  19          2HH1      ARG  19  -4.014  -7.566   6.197
  163   1HH2  ARG  19          1HH2      ARG  19  -0.781  -6.240   6.318
  164   2HH2  ARG  19          2HH2      ARG  19  -1.729  -7.673   6.098
  165    H    LEU  20           H        LEU  20  -4.292   0.206   3.645
  166    HA   LEU  20           HA       LEU  20  -1.903  -1.048   2.727
  167   1HB   LEU  20          1HB       LEU  20  -4.185   0.395   1.472
  168   2HB   LEU  20          2HB       LEU  20  -2.707   0.239   0.541
  169    HG   LEU  20           HG       LEU  20  -4.032  -2.161   1.767
  170   1HD1  LEU  20          1HD1      LEU  20  -5.130  -0.503  -0.262
  171   2HD1  LEU  20          2HD1      LEU  20  -4.600  -2.013  -1.002
  172   3HD1  LEU  20          3HD1      LEU  20  -5.731  -2.045   0.351
  173   1HD2  LEU  20          1HD2      LEU  20  -1.844  -1.623  -0.143
  174   2HD2  LEU  20          2HD2      LEU  20  -2.032  -2.924   1.032
  175   3HD2  LEU  20          3HD2      LEU  20  -2.892  -2.994  -0.506
  176    H    GLN  21           H        GLN  21  -3.004   2.296   3.058
  177    HA   GLN  21           HA       GLN  21  -0.788   3.544   1.871
  178   1HB   GLN  21          1HB       GLN  21  -2.889   4.717   2.355
  179   2HB   GLN  21          2HB       GLN  21  -2.586   4.563   4.080
  180   1HG   GLN  21          1HG       GLN  21  -0.986   6.184   4.089
  181   2HG   GLN  21          2HG       GLN  21  -0.522   5.893   2.413
  182   2HE2  GLN  21          2HE2      GLN  21  -3.245   7.067   4.355
  183   1HE2  GLN  21          1HE2      GLN  21  -3.730   8.300   3.247
  184    H    LYS  22           H        LYS  22  -1.441   2.711   5.267
  185    HA   LYS  22           HA       LYS  22   0.938   3.779   6.324
  186   1HB   LYS  22          1HB       LYS  22  -1.182   2.949   7.547
  187   2HB   LYS  22          2HB       LYS  22  -0.436   1.359   7.466
  188   1HG   LYS  22          1HG       LYS  22   1.608   2.803   8.473
  189   2HG   LYS  22          2HG       LYS  22   0.230   3.680   9.140
  190   1HD   LYS  22          1HD       LYS  22   0.883   1.975  10.702
  191   2HD   LYS  22          2HD       LYS  22  -0.663   1.517   9.984
  192   1HE   LYS  22          1HE       LYS  22   0.215  -0.413   9.328
  193   2HE   LYS  22          2HE       LYS  22   1.396   0.457   8.351
  194   1HZ   LYS  22          1HZ       LYS  22   2.786   0.636  10.376
  195   2HZ   LYS  22          2HZ       LYS  22   1.686  -0.361  11.190
  196   3HZ   LYS  22          3HZ       LYS  22   2.550  -0.959   9.864
  197    H    GLU  23           H        GLU  23   0.196   0.710   4.817
  198    HA   GLU  23           HA       GLU  23   2.568  -0.642   5.580
  199   1HB   GLU  23          1HB       GLU  23   0.425  -1.682   4.700
  200   2HB   GLU  23          2HB       GLU  23   0.943  -1.181   3.097
  201   1HG   GLU  23          1HG       GLU  23   2.765  -2.638   3.100
  202   2HG   GLU  23          2HG       GLU  23   2.696  -2.861   4.848
  203    H    ILE  24           H        ILE  24   1.720   1.415   2.849
  204    HA   ILE  24           HA       ILE  24   4.032   0.869   1.316
  205    HB   ILE  24           HB       ILE  24   3.331   2.443  -0.180
  206   1HG1  ILE  24          1HG1      ILE  24   1.892   4.490   0.617
  207   2HG1  ILE  24          2HG1      ILE  24   2.605   4.135   2.188
  208   1HG2  ILE  24          1HG2      ILE  24   1.384   0.939   0.682
  209   2HG2  ILE  24          2HG2      ILE  24   0.716   2.470   1.240
  210   3HG2  ILE  24          3HG2      ILE  24   1.070   2.235  -0.469
  211   1HD1  ILE  24          1HD1      ILE  24   4.688   4.123   0.273
  212   2HD1  ILE  24          2HD1      ILE  24   3.717   5.576   0.021
  213   3HD1  ILE  24          3HD1      ILE  24   4.419   5.248   1.605
  214    H    GLU  25           H        GLU  25   3.302   3.274   3.788
  215    HA   GLU  25           HA       GLU  25   5.658   4.787   3.581
  216   1HB   GLU  25          1HB       GLU  25   3.601   5.422   4.873
  217   2HB   GLU  25          2HB       GLU  25   4.073   4.253   6.099
  218   1HG   GLU  25          1HG       GLU  25   5.851   5.518   6.819
  219   2HG   GLU  25          2HG       GLU  25   6.001   6.373   5.283
  220    H    ARG  26           H        ARG  26   4.870   1.896   5.460
  221    HA   ARG  26           HA       ARG  26   7.225   1.724   6.957
  222   1HB   ARG  26          1HB       ARG  26   4.969   0.285   6.910
  223   2HB   ARG  26          2HB       ARG  26   5.988  -0.794   5.967
  224   1HG   ARG  26          1HG       ARG  26   5.941  -1.331   8.377
  225   2HG   ARG  26          2HG       ARG  26   7.560  -0.981   7.768
  226   1HD   ARG  26          1HD       ARG  26   7.603   1.135   8.785
  227   2HD   ARG  26          2HD       ARG  26   5.860   1.136   9.048
  228    HE   ARG  26           HE       ARG  26   6.188  -0.035  10.988
  229   1HH1  ARG  26          1HH1      ARG  26   9.086  -0.178   9.063
  230   2HH1  ARG  26          2HH1      ARG  26  10.031  -0.925  10.307
  231   1HH2  ARG  26          1HH2      ARG  26   7.423  -1.019  12.635
  232   2HH2  ARG  26          2HH2      ARG  26   9.085  -1.404  12.338
  233    H    HIS  27           H        HIS  27   6.450   0.606   3.696
  234    HA   HIS  27           HA       HIS  27   8.886  -0.789   3.276
  235   1HB   HIS  27          1HB       HIS  27   6.497  -0.275   1.814
  236   2HB   HIS  27          2HB       HIS  27   7.855   0.215   0.806
  237    HD1  HIS  27           HD1      HIS  27   9.657  -1.684   0.296
  238    HD2  HIS  27           HD2      HIS  27   6.094  -2.981   1.997
  239    HE1  HIS  27           HE1      HIS  27   9.595  -4.169  -0.086
  240    HE2  HIS  27           HE2      HIS  27   7.430  -4.934   0.952
  241    H    LYS  28           H        LYS  28   7.910   2.530   3.073
  242    HA   LYS  28           HA       LYS  28  10.079   3.444   1.473
  243   1HB   LYS  28          1HB       LYS  28   7.761   4.562   2.105
  244   2HB   LYS  28          2HB       LYS  28   8.713   5.254   3.411
  245   1HG   LYS  28          1HG       LYS  28  10.197   5.580   1.028
  246   2HG   LYS  28          2HG       LYS  28   8.537   6.078   0.696
  247   1HD   LYS  28          1HD       LYS  28   9.901   7.007   3.189
  248   2HD   LYS  28          2HD       LYS  28  10.247   7.800   1.650
  249   1HE   LYS  28          1HE       LYS  28   7.816   8.179   1.354
  250   2HE   LYS  28          2HE       LYS  28   7.545   7.491   2.955
  251   1HZ   LYS  28          1HZ       LYS  28   9.433   9.720   2.674
  252   2HZ   LYS  28          2HZ       LYS  28   7.775  10.051   2.636
  253   3HZ   LYS  28          3HZ       LYS  28   8.457   9.297   3.988
  254    H    GLN  29           H        GLN  29   9.556   2.958   4.892
  255    HA   GLN  29           HA       GLN  29  11.815   4.424   5.796
  256   1HB   GLN  29          1HB       GLN  29   9.775   3.664   7.151
  257   2HB   GLN  29          2HB       GLN  29  10.566   2.097   7.246
  258   1HG   GLN  29          1HG       GLN  29  11.729   2.798   8.985
  259   2HG   GLN  29          2HG       GLN  29  12.475   4.041   7.982
  260   2HE2  GLN  29          2HE2      GLN  29  12.310   5.985   8.808
  261   1HE2  GLN  29          1HE2      GLN  29  10.995   6.591   9.751
  262    H    SER  30           H        SER  30  11.259   1.019   5.002
  263    HA   SER  30           HA       SER  30  13.827   0.115   5.804
  264   1HB   SER  30          1HB       SER  30  11.798  -1.338   5.462
  265   2HB   SER  30          2HB       SER  30  12.034  -1.153   3.725
  266    HG   SER  30           HG       SER  30  13.141  -2.954   4.177
  267    H    ILE  31           H        ILE  31  12.499   1.164   2.699
  268    HA   ILE  31           HA       ILE  31  14.859   0.608   1.199
  269    HB   ILE  31           HB       ILE  31  12.708   0.737   0.087
  270   1HG1  ILE  31          1HG1      ILE  31  13.296   2.456  -1.707
  271   2HG1  ILE  31          2HG1      ILE  31  14.714   2.838  -0.733
  272   1HG2  ILE  31          1HG2      ILE  31  11.796   2.536   1.597
  273   2HG2  ILE  31          2HG2      ILE  31  12.701   3.699   0.636
  274   3HG2  ILE  31          3HG2      ILE  31  11.431   2.736  -0.114
  275   1HD1  ILE  31          1HD1      ILE  31  15.290   0.377  -0.887
  276   2HD1  ILE  31          2HD1      ILE  31  14.042   0.277  -2.126
  277   3HD1  ILE  31          3HD1      ILE  31  15.436   1.326  -2.366
  278    H    LYS  32           H        LYS  32  13.815   3.258   3.165
  279    HA   LYS  32           HA       LYS  32  15.637   5.178   2.042
  280   1HB   LYS  32          1HB       LYS  32  13.459   5.732   3.208
  281   2HB   LYS  32          2HB       LYS  32  14.255   5.322   4.722
  282   1HG   LYS  32          1HG       LYS  32  16.018   7.085   3.593
  283   2HG   LYS  32          2HG       LYS  32  14.454   7.727   3.087
  284   1HD   LYS  32          1HD       LYS  32  14.643   8.764   5.111
  285   2HD   LYS  32          2HD       LYS  32  13.861   7.269   5.629
  286   1HE   LYS  32          1HE       LYS  32  15.625   7.530   7.134
  287   2HE   LYS  32          2HE       LYS  32  16.239   6.369   5.958
  288   1HZ   LYS  32          1HZ       LYS  32  16.757   9.213   5.494
  289   2HZ   LYS  32          2HZ       LYS  32  17.651   8.430   6.698
  290   3HZ   LYS  32          3HZ       LYS  32  17.703   7.868   5.104
  291    H    LYS  33           H        LYS  33  15.625   2.949   4.760
  292    HA   LYS  33           HA       LYS  33  18.082   3.972   5.863
  293   1HB   LYS  33          1HB       LYS  33  16.346   2.932   7.284
  294   2HB   LYS  33          2HB       LYS  33  16.611   1.399   6.465
  295   1HG   LYS  33          1HG       LYS  33  19.109   1.859   7.246
  296   2HG   LYS  33          2HG       LYS  33  18.266   2.782   8.491
  297   1HD   LYS  33          1HD       LYS  33  16.806   0.623   8.689
  298   2HD   LYS  33          2HD       LYS  33  18.193  -0.150   7.921
  299   1HE   LYS  33          1HE       LYS  33  19.220  -0.235   9.886
  300   2HE   LYS  33          2HE       LYS  33  19.186   1.526   9.971
  301   1HZ   LYS  33          1HZ       LYS  33  16.892  -0.152  10.805
  302   2HZ   LYS  33          2HZ       LYS  33  18.123   0.299  11.873
  303   3HZ   LYS  33          3HZ       LYS  33  17.164   1.483  11.141
  304    H    LEU  34           H        LEU  34  17.131   1.539   3.584
  305    HA   LEU  34           HA       LEU  34  19.665   0.161   3.627
  306   1HB   LEU  34          1HB       LEU  34  17.049  -0.245   2.463
  307   2HB   LEU  34          2HB       LEU  34  18.307  -0.503   1.269
  308    HG   LEU  34           HG       LEU  34  18.493  -1.833   3.947
  309   1HD1  LEU  34          1HD1      LEU  34  16.219  -2.206   2.802
  310   2HD1  LEU  34          2HD1      LEU  34  17.135  -3.142   1.622
  311   3HD1  LEU  34          3HD1      LEU  34  17.143  -3.617   3.320
  312   1HD2  LEU  34          1HD2      LEU  34  20.344  -1.755   2.164
  313   2HD2  LEU  34          2HD2      LEU  34  19.933  -3.315   2.876
  314   3HD2  LEU  34          3HD2      LEU  34  19.333  -2.892   1.272
  315    H    LYS  35           H        LYS  35  18.168   2.749   1.846
  316    HA   LYS  35           HA       LYS  35  20.115   2.733  -0.279
  317   1HB   LYS  35          1HB       LYS  35  17.818   4.499   0.487
  318   2HB   LYS  35          2HB       LYS  35  19.002   5.072  -0.679
  319   1HG   LYS  35          1HG       LYS  35  17.633   2.431  -1.019
  320   2HG   LYS  35          2HG       LYS  35  16.891   3.937  -1.562
  321   1HD   LYS  35          1HD       LYS  35  18.868   4.395  -2.946
  322   2HD   LYS  35          2HD       LYS  35  19.581   2.869  -2.418
  323   1HE   LYS  35          1HE       LYS  35  18.584   1.927  -4.172
  324   2HE   LYS  35          2HE       LYS  35  17.059   2.161  -3.319
  325   1HZ   LYS  35          1HZ       LYS  35  18.177   4.340  -4.953
  326   2HZ   LYS  35          2HZ       LYS  35  17.332   3.077  -5.700
  327   3HZ   LYS  35          3HZ       LYS  35  16.566   4.035  -4.536
  328    H    GLN  36           H        GLN  36  19.604   4.438   2.742
  329    HA   GLN  36           HA       GLN  36  21.714   6.337   2.286
  330   1HB   GLN  36          1HB       GLN  36  19.571   6.367   3.909
  331   2HB   GLN  36          2HB       GLN  36  20.778   5.786   5.048
  332   1HG   GLN  36          1HG       GLN  36  21.508   8.137   3.414
  333   2HG   GLN  36          2HG       GLN  36  20.272   8.370   4.650
  334   2HE2  GLN  36          2HE2      GLN  36  22.691   9.673   4.767
  335   1HE2  GLN  36          1HE2      GLN  36  23.606   9.068   6.102
  336    H    SER  37           H        SER  37  21.382   3.210   3.802
  337    HA   SER  37           HA       SER  37  23.926   3.298   5.131
  338   1HB   SER  37          1HB       SER  37  21.791   1.248   4.728
  339   2HB   SER  37          2HB       SER  37  23.404   0.695   5.179
  340    HG   SER  37           HG       SER  37  22.139   1.097   7.021
  341    H    GLU  38           H        GLU  38  22.748   2.341   2.009
  342    HA   GLU  38           HA       GLU  38  25.029   0.763   1.293
  343   1HB   GLU  38          1HB       GLU  38  22.484   1.374   0.167
  344   2HB   GLU  38          2HB       GLU  38  23.712   1.780  -1.024
  345   1HG   GLU  38          1HG       GLU  38  24.425  -0.719   0.061
  346   2HG   GLU  38          2HG       GLU  38  22.697  -0.778  -0.281
  347    H    ASP  39           H        ASP  39  24.224   4.129   1.227
  348    HA   ASP  39           HA       ASP  39  26.155   4.914  -0.723
  349   1HB   ASP  39          1HB       ASP  39  24.071   6.209   0.081
  350   2HB   ASP  39          2HB       ASP  39  25.078   6.716   1.434
  351    H    ASP  40           H        ASP  40  26.237   4.255   2.676
  352    HA   ASP  40           HA       ASP  40  27.978   4.076   4.135
  353   1HB   ASP  40          1HB       ASP  40  29.181   3.750   1.609
  354   2HB   ASP  40          2HB       ASP  40  30.199   4.889   2.486
  355    H    ASP  41           H        ASP  41  28.793   5.457   5.622
  356    HA   ASP  41           HA       ASP  41  29.794   8.048   4.992
  357   1HB   ASP  41          1HB       ASP  41  27.253   8.286   4.766
  358   2HB   ASP  41          2HB       ASP  41  27.190   8.066   6.512
  359    H1   ALA   1           H1       ALA   1  30.906  -5.205  -0.968
  360    H2   ALA   1           H2       ALA   1  31.910  -3.974  -1.615
  361    H3   ALA   1           H3       ALA   1  30.295  -4.138  -2.164
  362    HA   ALA   1           HA       ALA   1  31.354  -5.131  -3.832
  363   1HB   ALA   1          1HB       ALA   1  33.491  -5.189  -1.966
  364   2HB   ALA   1          2HB       ALA   1  33.550  -5.405  -3.715
  365   3HB   ALA   1          3HB       ALA   1  33.326  -6.801  -2.661
  366    H    LEU   2           H        LEU   2  31.942  -7.364  -1.120
  367    HA   LEU   2           HA       LEU   2  30.783  -9.576  -2.422
  368   1HB   LEU   2          1HB       LEU   2  32.428  -9.591  -0.493
  369   2HB   LEU   2          2HB       LEU   2  31.069  -9.242   0.559
  370    HG   LEU   2           HG       LEU   2  30.926 -11.619  -1.245
  371   1HD1  LEU   2          1HD1      LEU   2  33.141 -11.397   0.213
  372   2HD1  LEU   2          2HD1      LEU   2  32.057 -12.011   1.461
  373   3HD1  LEU   2          3HD1      LEU   2  32.309 -12.934  -0.020
  374   1HD2  LEU   2          1HD2      LEU   2  29.635 -10.624   1.226
  375   2HD2  LEU   2          2HD2      LEU   2  28.945 -11.485  -0.150
  376   3HD2  LEU   2          3HD2      LEU   2  29.854 -12.368   1.077
  377    H    LYS   3           H        LYS   3  29.426  -7.015  -0.531
  378    HA   LYS   3           HA       LYS   3  26.915  -8.424  -0.116
  379   1HB   LYS   3          1HB       LYS   3  27.914  -5.696   0.687
  380   2HB   LYS   3          2HB       LYS   3  26.243  -6.192   0.925
  381   1HG   LYS   3          1HG       LYS   3  28.715  -7.345   2.179
  382   2HG   LYS   3          2HG       LYS   3  27.348  -6.559   2.972
  383   1HD   LYS   3          1HD       LYS   3  25.972  -8.498   1.905
  384   2HD   LYS   3          2HD       LYS   3  27.539  -9.301   1.794
  385   1HE   LYS   3          1HE       LYS   3  27.793  -8.703   4.278
  386   2HE   LYS   3          2HE       LYS   3  26.057  -8.394   4.241
  387   1HZ   LYS   3          1HZ       LYS   3  27.017 -10.936   3.155
  388   2HZ   LYS   3          2HZ       LYS   3  27.025 -10.749   4.837
  389   3HZ   LYS   3          3HZ       LYS   3  25.579 -10.586   3.976
  390    H    LYS   4           H        LYS   4  27.398  -8.252  -2.777
  391    HA   LYS   4           HA       LYS   4  26.328  -5.934  -4.016
  392   1HB   LYS   4          1HB       LYS   4  27.013  -8.700  -4.897
  393   2HB   LYS   4          2HB       LYS   4  25.981  -7.729  -5.938
  394   1HG   LYS   4          1HG       LYS   4  28.263  -6.209  -5.056
  395   2HG   LYS   4          2HG       LYS   4  28.762  -7.717  -5.827
  396   1HD   LYS   4          1HD       LYS   4  26.698  -6.694  -7.422
  397   2HD   LYS   4          2HD       LYS   4  27.718  -5.313  -7.017
  398   1HE   LYS   4          1HE       LYS   4  28.404  -7.807  -8.513
  399   2HE   LYS   4          2HE       LYS   4  28.722  -6.125  -8.938
  400   1HZ   LYS   4          1HZ       LYS   4  30.192  -6.257  -6.788
  401   2HZ   LYS   4          2HZ       LYS   4  30.211  -7.907  -7.154
  402   3HZ   LYS   4          3HZ       LYS   4  30.784  -6.783  -8.282
  403    H    HIS   5           H        HIS   5  24.937  -8.952  -2.879
  404    HA   HIS   5           HA       HIS   5  22.457  -8.878  -4.107
  405   1HB   HIS   5          1HB       HIS   5  21.642 -10.172  -2.140
  406   2HB   HIS   5          2HB       HIS   5  23.147 -10.796  -2.806
  407    HD1  HIS   5           HD1      HIS   5  24.613 -11.546  -0.976
  408    HD2  HIS   5           HD2      HIS   5  22.480  -8.136   0.070
  409    HE1  HIS   5           HE1      HIS   5  25.370 -10.967   1.351
  410    HE2  HIS   5           HE2      HIS   5  24.066  -8.899   1.965
  411    H    HIS   6           H        HIS   6  23.726  -6.876  -1.590
  412    HA   HIS   6           HA       HIS   6  21.365  -5.975  -0.395
  413   1HB   HIS   6          1HB       HIS   6  24.111  -5.352  -0.248
  414   2HB   HIS   6          2HB       HIS   6  23.284  -3.838  -0.595
  415    HD1  HIS   6           HD1      HIS   6  21.665  -6.483   1.509
  416    HD2  HIS   6           HD2      HIS   6  23.637  -2.857   1.989
  417    HE1  HIS   6           HE1      HIS   6  21.295  -5.829   3.910
  418    HE2  HIS   6           HE2      HIS   6  22.498  -3.631   4.178
  419    H    GLU   7           H        GLU   7  23.146  -4.707  -3.195
  420    HA   GLU   7           HA       GLU   7  21.524  -2.487  -3.696
  421   1HB   GLU   7          1HB       GLU   7  23.745  -2.965  -4.757
  422   2HB   GLU   7          2HB       GLU   7  22.949  -4.161  -5.770
  423   1HG   GLU   7          1HG       GLU   7  21.523  -1.698  -5.948
  424   2HG   GLU   7          2HG       GLU   7  23.238  -1.397  -6.225
  425    H    ASN   8           H        ASN   8  21.008  -5.856  -4.285
  426    HA   ASN   8           HA       ASN   8  18.946  -5.540  -6.242
  427   1HB   ASN   8          1HB       ASN   8  19.520  -7.899  -4.433
  428   2HB   ASN   8          2HB       ASN   8  18.506  -7.920  -5.871
  429   2HD2  ASN   8          2HD2      ASN   8  19.811  -9.548  -6.757
  430   1HD2  ASN   8          1HD2      ASN   8  21.359  -9.191  -7.438
  431    H    GLU   9           H        GLU   9  18.874  -6.517  -2.811
  432    HA   GLU   9           HA       GLU   9  16.101  -6.425  -2.500
  433   1HB   GLU   9          1HB       GLU   9  18.284  -6.964  -0.867
  434   2HB   GLU   9          2HB       GLU   9  17.542  -5.555  -0.122
  435   1HG   GLU   9          1HG       GLU   9  15.396  -7.194  -0.679
  436   2HG   GLU   9          2HG       GLU   9  16.660  -8.315  -0.178
  437    H    ILE  10           H        ILE  10  18.409  -3.896  -2.817
  438    HA   ILE  10           HA       ILE  10  16.905  -1.859  -1.515
  439    HB   ILE  10           HB       ILE  10  19.497  -2.114  -2.578
  440   1HG1  ILE  10          1HG1      ILE  10  18.957   0.566  -1.675
  441   2HG1  ILE  10          2HG1      ILE  10  18.113  -0.605  -0.666
  442   1HG2  ILE  10          1HG2      ILE  10  18.005   0.069  -4.008
  443   2HG2  ILE  10          2HG2      ILE  10  19.753   0.081  -3.787
  444   3HG2  ILE  10          3HG2      ILE  10  18.990  -1.219  -4.702
  445   1HD1  ILE  10          1HD1      ILE  10  20.694  -1.625  -1.049
  446   2HD1  ILE  10          2HD1      ILE  10  20.882   0.094  -0.700
  447   3HD1  ILE  10          3HD1      ILE  10  20.004  -0.943   0.425
  448    H    SER  11           H        SER  11  17.522  -2.565  -4.963
  449    HA   SER  11           HA       SER  11  15.741  -0.645  -5.977
  450   1HB   SER  11          1HB       SER  11  17.569  -2.229  -7.126
  451   2HB   SER  11          2HB       SER  11  16.126  -3.171  -7.504
  452    HG   SER  11           HG       SER  11  15.979  -1.809  -9.104
  453    H    HIS  12           H        HIS  12  15.219  -3.791  -4.635
  454    HA   HIS  12           HA       HIS  12  12.637  -4.199  -5.778
  455   1HB   HIS  12          1HB       HIS  12  13.271  -6.262  -5.135
  456   2HB   HIS  12          2HB       HIS  12  14.462  -5.630  -4.012
  457    HD1  HIS  12           HD1      HIS  12  10.935  -6.873  -4.186
  458    HD2  HIS  12           HD2      HIS  12  13.655  -5.532  -1.348
  459    HE1  HIS  12           HE1      HIS  12   9.921  -7.456  -1.958
  460    HE2  HIS  12           HE2      HIS  12  11.585  -6.635  -0.252
  461    H    HIS  13           H        HIS  13  13.776  -3.090  -2.575
  462    HA   HIS  13           HA       HIS  13  11.232  -2.720  -1.452
  463   1HB   HIS  13          1HB       HIS  13  13.765  -1.167  -0.897
  464   2HB   HIS  13          2HB       HIS  13  12.329  -1.166   0.116
  465    HD1  HIS  13           HD1      HIS  13  11.962  -4.367  -0.153
  466    HD2  HIS  13           HD2      HIS  13  15.338  -2.279   1.052
  467    HE1  HIS  13           HE1      HIS  13  13.282  -5.987   1.250
  468    HE2  HIS  13           HE2      HIS  13  15.329  -4.703   1.971
  469    H    ALA  14           H        ALA  14  13.113  -0.782  -3.659
  470    HA   ALA  14           HA       ALA  14  11.718   1.655  -3.351
  471   1HB   ALA  14          1HB       ALA  14  13.888   0.769  -4.840
  472   2HB   ALA  14          2HB       ALA  14  12.688   1.227  -6.048
  473   3HB   ALA  14          3HB       ALA  14  13.208   2.397  -4.835
  474    H    LYS  15           H        LYS  15  11.426  -0.878  -5.850
  475    HA   LYS  15           HA       LYS  15   9.126   0.232  -7.052
  476   1HB   LYS  15          1HB       LYS  15  10.761  -2.106  -7.380
  477   2HB   LYS  15          2HB       LYS  15   9.066  -2.576  -7.413
  478   1HG   LYS  15          1HG       LYS  15   8.613  -1.264  -9.283
  479   2HG   LYS  15          2HG       LYS  15  10.071  -0.295  -9.070
  480   1HD   LYS  15          1HD       LYS  15  10.240  -3.236  -9.625
  481   2HD   LYS  15          2HD       LYS  15  10.030  -2.076 -10.937
  482   1HE   LYS  15          1HE       LYS  15  12.158  -1.392 -10.820
  483   2HE   LYS  15          2HE       LYS  15  12.128  -1.322  -9.058
  484   1HZ   LYS  15          1HZ       LYS  15  12.471  -3.797 -10.665
  485   2HZ   LYS  15          2HZ       LYS  15  13.716  -2.958  -9.887
  486   3HZ   LYS  15          3HZ       LYS  15  12.495  -3.697  -8.978
  487    H    GLU  16           H        GLU  16   9.565  -1.400  -4.093
  488    HA   GLU  16           HA       GLU  16   6.890  -2.470  -3.944
  489   1HB   GLU  16          1HB       GLU  16   9.097  -2.253  -1.891
  490   2HB   GLU  16          2HB       GLU  16   7.545  -3.022  -1.593
  491   1HG   GLU  16          1HG       GLU  16   8.877  -4.023  -3.978
  492   2HG   GLU  16          2HG       GLU  16   9.812  -4.262  -2.502
  493    H    ILE  17           H        ILE  17   8.634   0.385  -2.821
  494    HA   ILE  17           HA       ILE  17   6.497   1.236  -1.097
  495    HB   ILE  17           HB       ILE  17   7.783   3.086  -0.551
  496   1HG1  ILE  17          1HG1      ILE  17   9.830   3.672  -2.139
  497   2HG1  ILE  17          2HG1      ILE  17   8.808   2.919  -3.359
  498   1HG2  ILE  17          1HG2      ILE  17   9.034   0.623  -0.688
  499   2HG2  ILE  17          2HG2      ILE  17  10.232   1.761  -1.302
  500   3HG2  ILE  17          3HG2      ILE  17   9.520   2.005   0.289
  501   1HD1  ILE  17          1HD1      ILE  17   7.158   4.692  -1.952
  502   2HD1  ILE  17          2HD1      ILE  17   8.671   5.548  -2.249
  503   3HD1  ILE  17          3HD1      ILE  17   7.771   4.854  -3.597
  504    H    GLU  18           H        GLU  18   7.513   1.901  -4.397
  505    HA   GLU  18           HA       GLU  18   5.558   3.967  -4.812
  506   1HB   GLU  18          1HB       GLU  18   7.830   3.538  -6.050
  507   2HB   GLU  18          2HB       GLU  18   6.864   2.462  -7.050
  508   1HG   GLU  18          1HG       GLU  18   5.454   4.255  -7.745
  509   2HG   GLU  18          2HG       GLU  18   6.198   5.357  -6.587
  510    H    ARG  19           H        ARG  19   5.839   0.521  -5.503
  511    HA   ARG  19           HA       ARG  19   3.404   0.372  -6.995
  512   1HB   ARG  19          1HB       ARG  19   5.293  -1.255  -7.213
  513   2HB   ARG  19          2HB       ARG  19   4.898  -1.863  -5.610
  514   1HG   ARG  19          1HG       ARG  19   2.517  -2.181  -6.673
  515   2HG   ARG  19          2HG       ARG  19   3.438  -2.191  -8.178
  516   1HD   ARG  19          1HD       ARG  19   4.433  -4.173  -7.715
  517   2HD   ARG  19          2HD       ARG  19   4.492  -3.859  -5.981
  518    HE   ARG  19           HE       ARG  19   1.821  -4.245  -6.715
  519   1HH1  ARG  19          1HH1      ARG  19   4.797  -6.039  -6.496
  520   2HH1  ARG  19          2HH1      ARG  19   4.014  -7.555  -6.197
  521   1HH2  ARG  19          1HH2      ARG  19   0.778  -6.234  -6.322
  522   2HH2  ARG  19          2HH2      ARG  19   1.728  -7.666  -6.097
  523    H    LEU  20           H        LEU  20   4.279   0.234  -3.646
  524    HA   LEU  20           HA       LEU  20   1.891  -1.022  -2.715
  525   1HB   LEU  20          1HB       LEU  20   4.190   0.407  -1.474
  526   2HB   LEU  20          2HB       LEU  20   2.721   0.255  -0.533
  527    HG   LEU  20           HG       LEU  20   4.034  -2.144  -1.775
  528   1HD1  LEU  20          1HD1      LEU  20   5.134  -0.500   0.262
  529   2HD1  LEU  20          2HD1      LEU  20   4.601  -2.012   0.995
  530   3HD1  LEU  20          3HD1      LEU  20   5.732  -2.039  -0.358
  531   1HD2  LEU  20          1HD2      LEU  20   1.843  -1.613   0.133
  532   2HD2  LEU  20          2HD2      LEU  20   2.035  -2.912  -1.044
  533   3HD2  LEU  20          3HD2      LEU  20   2.891  -2.984   0.496
  534    H    GLN  21           H        GLN  21   2.993   2.316  -3.083
  535    HA   GLN  21           HA       GLN  21   0.785   3.567  -1.868
  536   1HB   GLN  21          1HB       GLN  21   2.886   4.740  -2.343
  537   2HB   GLN  21          2HB       GLN  21   2.589   4.588  -4.069
  538   1HG   GLN  21          1HG       GLN  21   0.989   6.210  -4.084
  539   2HG   GLN  21          2HG       GLN  21   0.523   5.921  -2.408
  540   2HE2  GLN  21          2HE2      GLN  21   3.252   7.087  -4.346
  541   1HE2  GLN  21          1HE2      GLN  21   3.736   8.321  -3.239
  542    H    LYS  22           H        LYS  22   1.436   2.720  -5.257
  543    HA   LYS  22           HA       LYS  22  -0.938   3.800  -6.321
  544   1HB   LYS  22          1HB       LYS  22   1.183   2.979  -7.542
  545   2HB   LYS  22          2HB       LYS  22   0.446   1.385  -7.462
  546   1HG   LYS  22          1HG       LYS  22  -1.604   2.818  -8.472
  547   2HG   LYS  22          2HG       LYS  22  -0.229   3.700  -9.138
  548   1HD   LYS  22          1HD       LYS  22  -0.869   1.993 -10.700
  549   2HD   LYS  22          2HD       LYS  22   0.673   1.535  -9.973
  550   1HE   LYS  22          1HE       LYS  22  -0.209  -0.395  -9.323
  551   2HE   LYS  22          2HE       LYS  22  -1.393   0.477  -8.349
  552   1HZ   LYS  22          1HZ       LYS  22  -2.776   0.656 -10.378
  553   2HZ   LYS  22          2HZ       LYS  22  -1.674  -0.339 -11.190
  554   3HZ   LYS  22          3HZ       LYS  22  -2.542  -0.939  -9.867
  555    H    GLU  23           H        GLU  23  -0.195   0.727  -4.821
  556    HA   GLU  23           HA       GLU  23  -2.562  -0.628  -5.592
  557   1HB   GLU  23          1HB       GLU  23  -0.422  -1.665  -4.707
  558   2HB   GLU  23          2HB       GLU  23  -0.941  -1.162  -3.105
  559   1HG   GLU  23          1HG       GLU  23  -2.760  -2.622  -3.106
  560   2HG   GLU  23          2HG       GLU  23  -2.693  -2.847  -4.852
  561    H    ILE  24           H        ILE  24  -1.722   1.417  -2.848
  562    HA   ILE  24           HA       ILE  24  -4.040   0.872  -1.326
  563    HB   ILE  24           HB       ILE  24  -3.342   2.442   0.176
  564   1HG1  ILE  24          1HG1      ILE  24  -1.905   4.493  -0.608
  565   2HG1  ILE  24          2HG1      ILE  24  -2.608   4.141  -2.184
  566   1HG2  ILE  24          1HG2      ILE  24  -1.382   0.951  -0.743
  567   2HG2  ILE  24          2HG2      ILE  24  -0.714   2.517  -1.198
  568   3HG2  ILE  24          3HG2      ILE  24  -1.104   2.181   0.485
  569   1HD1  ILE  24          1HD1      ILE  24  -4.702   4.120  -0.277
  570   2HD1  ILE  24          2HD1      ILE  24  -3.736   5.575  -0.021
  571   3HD1  ILE  24          3HD1      ILE  24  -4.431   5.245  -1.609
  572    H    GLU  25           H        GLU  25  -3.300   3.285  -3.788
  573    HA   GLU  25           HA       GLU  25  -5.654   4.799  -3.587
  574   1HB   GLU  25          1HB       GLU  25  -3.596   5.435  -4.874
  575   2HB   GLU  25          2HB       GLU  25  -4.065   4.267  -6.102
  576   1HG   GLU  25          1HG       GLU  25  -5.841   5.531  -6.825
  577   2HG   GLU  25          2HG       GLU  25  -5.995   6.385  -5.290
  578    H    ARG  26           H        ARG  26  -4.870   1.906  -5.461
  579    HA   ARG  26           HA       ARG  26  -7.227   1.743  -6.962
  580   1HB   ARG  26          1HB       ARG  26  -4.972   0.302  -6.922
  581   2HB   ARG  26          2HB       ARG  26  -5.989  -0.779  -5.980
  582   1HG   ARG  26          1HG       ARG  26  -5.951  -1.315  -8.387
  583   2HG   ARG  26          2HG       ARG  26  -7.568  -0.954  -7.780
  584   1HD   ARG  26          1HD       ARG  26  -7.597   1.160  -8.799
  585   2HD   ARG  26          2HD       ARG  26  -5.854   1.153  -9.058
  586    HE   ARG  26           HE       ARG  26  -6.184  -0.010 -11.001
  587   1HH1  ARG  26          1HH1      ARG  26  -9.081  -0.164  -9.074
  588   2HH1  ARG  26          2HH1      ARG  26 -10.025  -0.910 -10.319
  589   1HH2  ARG  26          1HH2      ARG  26  -7.418  -0.993 -12.649
  590   2HH2  ARG  26          2HH2      ARG  26  -9.080  -1.382 -12.352
  591    H    HIS  27           H        HIS  27  -6.446   0.627  -3.706
  592    HA   HIS  27           HA       HIS  27  -8.880  -0.771  -3.278
  593   1HB   HIS  27          1HB       HIS  27  -6.478  -0.279  -1.841
  594   2HB   HIS  27          2HB       HIS  27  -7.816   0.227  -0.816
  595    HD1  HIS  27           HD1      HIS  27  -9.646  -1.657  -0.302
  596    HD2  HIS  27           HD2      HIS  27  -6.096  -2.983  -2.007
  597    HE1  HIS  27           HE1      HIS  27  -9.602  -4.142   0.081
  598    HE2  HIS  27           HE2      HIS  27  -7.444  -4.925  -0.959
  599    H    LYS  28           H        LYS  28  -7.912   2.550  -3.092
  600    HA   LYS  28           HA       LYS  28 -10.076   3.456  -1.472
  601   1HB   LYS  28          1HB       LYS  28  -7.759   4.579  -2.088
  602   2HB   LYS  28          2HB       LYS  28  -8.702   5.269  -3.402
  603   1HG   LYS  28          1HG       LYS  28 -10.202   5.596  -1.030
  604   2HG   LYS  28          2HG       LYS  28  -8.545   6.099  -0.689
  605   1HD   LYS  28          1HD       LYS  28  -9.902   7.018  -3.190
  606   2HD   LYS  28          2HD       LYS  28 -10.248   7.817  -1.655
  607   1HE   LYS  28          1HE       LYS  28  -7.816   8.193  -1.358
  608   2HE   LYS  28          2HE       LYS  28  -7.547   7.503  -2.957
  609   1HZ   LYS  28          1HZ       LYS  28  -9.433   9.733  -2.678
  610   2HZ   LYS  28          2HZ       LYS  28  -7.776  10.065  -2.639
  611   3HZ   LYS  28          3HZ       LYS  28  -8.457   9.311  -3.992
  612    H    GLN  29           H        GLN  29  -9.550   2.974  -4.890
  613    HA   GLN  29           HA       GLN  29 -11.808   4.446  -5.795
  614   1HB   GLN  29          1HB       GLN  29  -9.767   3.698  -7.151
  615   2HB   GLN  29          2HB       GLN  29 -10.547   2.124  -7.245
  616   1HG   GLN  29          1HG       GLN  29 -11.719   2.816  -8.983
  617   2HG   GLN  29          2HG       GLN  29 -12.465   4.062  -7.983
  618   2HE2  GLN  29          2HE2      GLN  29 -12.303   6.004  -8.815
  619   1HE2  GLN  29          1HE2      GLN  29 -10.991   6.608  -9.763
  620    H    SER  30           H        SER  30 -11.249   1.039  -5.012
  621    HA   SER  30           HA       SER  30 -13.814   0.135  -5.821
  622   1HB   SER  30          1HB       SER  30 -11.784  -1.319  -5.481
  623   2HB   SER  30          2HB       SER  30 -12.023  -1.138  -3.743
  624    HG   SER  30           HG       SER  30 -13.132  -2.934  -4.192
  625    H    ILE  31           H        ILE  31 -12.489   1.170  -2.708
  626    HA   ILE  31           HA       ILE  31 -14.851   0.610  -1.216
  627    HB   ILE  31           HB       ILE  31 -12.701   0.739  -0.101
  628   1HG1  ILE  31          1HG1      ILE  31 -13.299   2.440   1.702
  629   2HG1  ILE  31          2HG1      ILE  31 -14.712   2.834   0.724
  630   1HG2  ILE  31          1HG2      ILE  31 -11.793   2.549  -1.603
  631   2HG2  ILE  31          2HG2      ILE  31 -12.704   3.704  -0.637
  632   3HG2  ILE  31          3HG2      ILE  31 -11.431   2.742   0.110
  633   1HD1  ILE  31          1HD1      ILE  31 -15.082   0.233   0.844
  634   2HD1  ILE  31          2HD1      ILE  31 -14.099   0.403   2.296
  635   3HD1  ILE  31          3HD1      ILE  31 -15.607   1.302   2.142
  636    H    LYS  32           H        LYS  32 -13.810   3.265  -3.176
  637    HA   LYS  32           HA       LYS  32 -15.635   5.182  -2.051
  638   1HB   LYS  32          1HB       LYS  32 -13.458   5.741  -3.216
  639   2HB   LYS  32          2HB       LYS  32 -14.253   5.330  -4.730
  640   1HG   LYS  32          1HG       LYS  32 -16.021   7.087  -3.605
  641   2HG   LYS  32          2HG       LYS  32 -14.460   7.733  -3.093
  642   1HD   LYS  32          1HD       LYS  32 -14.640   8.772  -5.116
  643   2HD   LYS  32          2HD       LYS  32 -13.859   7.277  -5.635
  644   1HE   LYS  32          1HE       LYS  32 -15.619   7.541  -7.143
  645   2HE   LYS  32          2HE       LYS  32 -16.238   6.380  -5.970
  646   1HZ   LYS  32          1HZ       LYS  32 -16.752   9.227  -5.506
  647   2HZ   LYS  32          2HZ       LYS  32 -17.645   8.444  -6.711
  648   3HZ   LYS  32          3HZ       LYS  32 -17.701   7.882  -5.117
  649    H    LYS  33           H        LYS  33 -15.620   2.959  -4.773
  650    HA   LYS  33           HA       LYS  33 -18.076   3.980  -5.876
  651   1HB   LYS  33          1HB       LYS  33 -16.337   2.933  -7.292
  652   2HB   LYS  33          2HB       LYS  33 -16.613   1.402  -6.475
  653   1HG   LYS  33          1HG       LYS  33 -19.104   1.871  -7.263
  654   2HG   LYS  33          2HG       LYS  33 -18.256   2.796  -8.503
  655   1HD   LYS  33          1HD       LYS  33 -16.800   0.637  -8.707
  656   2HD   LYS  33          2HD       LYS  33 -18.188  -0.138  -7.942
  657   1HE   LYS  33          1HE       LYS  33 -19.216  -0.215  -9.908
  658   2HE   LYS  33          2HE       LYS  33 -19.177   1.546  -9.988
  659   1HZ   LYS  33          1HZ       LYS  33 -16.885  -0.134 -10.823
  660   2HZ   LYS  33          2HZ       LYS  33 -18.115   0.319 -11.892
  661   3HZ   LYS  33          3HZ       LYS  33 -17.156   1.502 -11.158
  662    H    LEU  34           H        LEU  34 -17.129   1.543  -3.597
  663    HA   LEU  34           HA       LEU  34 -19.664   0.169  -3.641
  664   1HB   LEU  34          1HB       LEU  34 -17.051  -0.235  -2.468
  665   2HB   LEU  34          2HB       LEU  34 -18.313  -0.492  -1.278
  666    HG   LEU  34           HG       LEU  34 -18.488  -1.826  -3.955
  667   1HD1  LEU  34          1HD1      LEU  34 -16.219  -2.193  -2.783
  668   2HD1  LEU  34          2HD1      LEU  34 -17.149  -3.145  -1.626
  669   3HD1  LEU  34          3HD1      LEU  34 -17.131  -3.600  -3.330
  670   1HD2  LEU  34          1HD2      LEU  34 -20.342  -1.745  -2.166
  671   2HD2  LEU  34          2HD2      LEU  34 -19.939  -3.299  -2.894
  672   3HD2  LEU  34          3HD2      LEU  34 -19.334  -2.895  -1.288
  673    H    LYS  35           H        LYS  35 -18.169   2.757  -1.857
  674    HA   LYS  35           HA       LYS  35 -20.121   2.744   0.263
  675   1HB   LYS  35          1HB       LYS  35 -17.823   4.510  -0.498
  676   2HB   LYS  35          2HB       LYS  35 -19.009   5.081   0.667
  677   1HG   LYS  35          1HG       LYS  35 -17.641   2.439   1.006
  678   2HG   LYS  35          2HG       LYS  35 -16.898   3.944   1.550
  679   1HD   LYS  35          1HD       LYS  35 -18.879   4.402   2.931
  680   2HD   LYS  35          2HD       LYS  35 -19.588   2.875   2.404
  681   1HE   LYS  35          1HE       LYS  35 -18.592   1.936   4.162
  682   2HE   LYS  35          2HE       LYS  35 -17.068   2.170   3.308
  683   1HZ   LYS  35          1HZ       LYS  35 -18.186   4.350   4.939
  684   2HZ   LYS  35          2HZ       LYS  35 -17.342   3.090   5.687
  685   3HZ   LYS  35          3HZ       LYS  35 -16.575   4.047   4.522
  686    H    GLN  36           H        GLN  36 -19.607   4.443  -2.761
  687    HA   GLN  36           HA       GLN  36 -21.716   6.347  -2.307
  688   1HB   GLN  36          1HB       GLN  36 -19.569   6.379  -3.925
  689   2HB   GLN  36          2HB       GLN  36 -20.773   5.799  -5.068
  690   1HG   GLN  36          1HG       GLN  36 -21.507   8.148  -3.432
  691   2HG   GLN  36          2HG       GLN  36 -20.270   8.383  -4.665
  692   2HE2  GLN  36          2HE2      GLN  36 -22.688   9.685  -4.784
  693   1HE2  GLN  36          1HE2      GLN  36 -23.601   9.081  -6.121
  694    H    SER  37           H        SER  37 -21.382   3.217  -3.814
  695    HA   SER  37           HA       SER  37 -23.922   3.309  -5.155
  696   1HB   SER  37          1HB       SER  37 -21.787   1.259  -4.750
  697   2HB   SER  37          2HB       SER  37 -23.399   0.706  -5.204
  698    HG   SER  37           HG       SER  37 -22.135   1.108  -7.045
  699    H    GLU  38           H        GLU  38 -22.750   2.350  -2.031
  700    HA   GLU  38           HA       GLU  38 -25.033   0.771  -1.320
  701   1HB   GLU  38          1HB       GLU  38 -22.491   1.378  -0.190
  702   2HB   GLU  38          2HB       GLU  38 -23.720   1.786   0.999
  703   1HG   GLU  38          1HG       GLU  38 -24.436  -0.711  -0.084
  704   2HG   GLU  38          2HG       GLU  38 -22.708  -0.774   0.255
  705    H    ASP  39           H        ASP  39 -24.226   4.136  -1.252
  706    HA   ASP  39           HA       ASP  39 -26.158   4.922   0.696
  707   1HB   ASP  39          1HB       ASP  39 -24.073   6.215  -0.106
  708   2HB   ASP  39          2HB       ASP  39 -25.078   6.723  -1.461
  709    H    ASP  40           H        ASP  40 -26.237   4.266  -2.704
  710    HA   ASP  40           HA       ASP  40 -27.977   4.090  -4.165
  711   1HB   ASP  40          1HB       ASP  40 -29.183   3.762  -1.640
  712   2HB   ASP  40          2HB       ASP  40 -30.200   4.901  -2.518
  713    H    ASP  41           H        ASP  41 -28.794   5.472  -5.651
  714    HA   ASP  41           HA       ASP  41 -29.792   8.063  -5.019
  715   1HB   ASP  41          1HB       ASP  41 -27.251   8.299  -4.789
  716   2HB   ASP  41          2HB       ASP  41 -27.186   8.081  -6.535

  No H/Q in entry =         716
  Start of MODEL   18
    1    H1   ALA   1           H1       ALA   1 -32.669  -1.669   5.711
    2    H2   ALA   1           H2       ALA   1 -32.571  -1.243   7.370
    3    H3   ALA   1           H3       ALA   1 -31.993  -0.160   6.173
    4    HA   ALA   1           HA       ALA   1 -30.142  -1.321   5.778
    5   1HB   ALA   1          1HB       ALA   1 -30.161  -0.482   8.096
    6   2HB   ALA   1          2HB       ALA   1 -29.157  -1.919   7.904
    7   3HB   ALA   1          3HB       ALA   1 -30.755  -2.052   8.640
    8    H    LEU   2           H        LEU   2 -31.292  -2.928   4.312
    9    HA   LEU   2           HA       LEU   2 -31.575  -5.587   5.453
   10   1HB   LEU   2          1HB       LEU   2 -32.462  -4.220   3.024
   11   2HB   LEU   2          2HB       LEU   2 -31.920  -5.864   2.741
   12    HG   LEU   2           HG       LEU   2 -33.612  -5.917   5.017
   13   1HD1  LEU   2          1HD1      LEU   2 -34.513  -4.094   2.851
   14   2HD1  LEU   2          2HD1      LEU   2 -35.697  -5.174   3.587
   15   3HD1  LEU   2          3HD1      LEU   2 -34.811  -4.024   4.587
   16   1HD2  LEU   2          1HD2      LEU   2 -33.499  -7.044   2.289
   17   2HD2  LEU   2          2HD2      LEU   2 -33.682  -7.850   3.846
   18   3HD2  LEU   2          3HD2      LEU   2 -35.071  -7.071   3.088
   19    H    LYS   3           H        LYS   3 -30.257  -4.985   2.239
   20    HA   LYS   3           HA       LYS   3 -28.445  -6.999   2.154
   21   1HB   LYS   3          1HB       LYS   3 -29.004  -4.733   0.605
   22   2HB   LYS   3          2HB       LYS   3 -27.277  -4.658   0.923
   23   1HG   LYS   3          1HG       LYS   3 -27.148  -5.956  -0.899
   24   2HG   LYS   3          2HG       LYS   3 -27.525  -7.253   0.236
   25   1HD   LYS   3          1HD       LYS   3 -29.971  -6.787  -0.291
   26   2HD   LYS   3          2HD       LYS   3 -29.384  -5.812  -1.640
   27   1HE   LYS   3          1HE       LYS   3 -28.510  -7.646  -2.753
   28   2HE   LYS   3          2HE       LYS   3 -28.418  -8.619  -1.285
   29   1HZ   LYS   3          1HZ       LYS   3 -30.833  -8.765  -1.281
   30   2HZ   LYS   3          2HZ       LYS   3 -30.914  -7.842  -2.696
   31   3HZ   LYS   3          3HZ       LYS   3 -30.197  -9.374  -2.725
   32    H    LYS   4           H        LYS   4 -27.323  -7.413   4.034
   33    HA   LYS   4           HA       LYS   4 -25.495  -5.340   5.012
   34   1HB   LYS   4          1HB       LYS   4 -25.273  -6.678   7.019
   35   2HB   LYS   4          2HB       LYS   4 -26.977  -6.432   6.660
   36   1HG   LYS   4          1HG       LYS   4 -27.089  -8.639   7.078
   37   2HG   LYS   4          2HG       LYS   4 -26.580  -8.765   5.392
   38   1HD   LYS   4          1HD       LYS   4 -24.409  -9.318   5.952
   39   2HD   LYS   4          2HD       LYS   4 -24.518  -8.564   7.544
   40   1HE   LYS   4          1HE       LYS   4 -26.003 -10.356   8.291
   41   2HE   LYS   4          2HE       LYS   4 -25.910 -11.103   6.697
   42   1HZ   LYS   4          1HZ       LYS   4 -23.335 -10.938   7.284
   43   2HZ   LYS   4          2HZ       LYS   4 -23.954 -11.073   8.853
   44   3HZ   LYS   4          3HZ       LYS   4 -24.284 -12.273   7.705
   45    H    HIS   5           H        HIS   5 -25.176  -7.153   2.571
   46    HA   HIS   5           HA       HIS   5 -22.706  -8.538   3.331
   47   1HB   HIS   5          1HB       HIS   5 -23.925  -8.696   0.596
   48   2HB   HIS   5          2HB       HIS   5 -22.956  -9.892   1.450
   49    HD1  HIS   5           HD1      HIS   5 -24.788  -9.790   4.080
   50    HD2  HIS   5           HD2      HIS   5 -26.062 -10.416   0.175
   51    HE1  HIS   5           HE1      HIS   5 -26.977 -11.012   4.276
   52    HE2  HIS   5           HE2      HIS   5 -27.732 -11.381   1.900
   53    H    HIS   6           H        HIS   6 -23.972  -5.952   1.358
   54    HA   HIS   6           HA       HIS   6 -21.559  -5.472  -0.096
   55   1HB   HIS   6          1HB       HIS   6 -24.179  -4.083   0.228
   56   2HB   HIS   6          2HB       HIS   6 -22.821  -3.150  -0.391
   57    HD1  HIS   6           HD1      HIS   6 -23.412  -6.770  -1.254
   58    HD2  HIS   6           HD2      HIS   6 -23.703  -3.010  -3.001
   59    HE1  HIS   6           HE1      HIS   6 -23.845  -7.195  -3.695
   60    HE2  HIS   6           HE2      HIS   6 -24.018  -4.906  -4.734
   61    H    GLU   7           H        GLU   7 -23.022  -4.143   2.834
   62    HA   GLU   7           HA       GLU   7 -21.129  -2.054   3.174
   63   1HB   GLU   7          1HB       GLU   7 -22.717  -3.392   5.366
   64   2HB   GLU   7          2HB       GLU   7 -22.075  -1.755   5.353
   65   1HG   GLU   7          1HG       GLU   7 -23.862  -0.954   4.305
   66   2HG   GLU   7          2HG       GLU   7 -23.855  -2.259   3.121
   67    H    ASN   8           H        ASN   8 -21.225  -5.419   4.123
   68    HA   ASN   8           HA       ASN   8 -19.068  -5.306   5.970
   69   1HB   ASN   8          1HB       ASN   8 -20.773  -7.346   4.803
   70   2HB   ASN   8          2HB       ASN   8 -19.101  -7.890   4.899
   71   2HD2  ASN   8          2HD2      ASN   8 -20.843  -9.234   6.359
   72   1HD2  ASN   8          1HD2      ASN   8 -20.703  -8.848   8.037
   73    H    GLU   9           H        GLU   9 -19.309  -6.081   2.525
   74    HA   GLU   9           HA       GLU   9 -16.624  -6.785   2.118
   75   1HB   GLU   9          1HB       GLU   9 -18.601  -7.099   0.530
   76   2HB   GLU   9          2HB       GLU   9 -18.360  -5.421   0.066
   77   1HG   GLU   9          1HG       GLU   9 -15.902  -6.198  -0.353
   78   2HG   GLU   9          2HG       GLU   9 -16.642  -7.796  -0.447
   79    H    ILE  10           H        ILE  10 -18.268  -3.641   1.806
   80    HA   ILE  10           HA       ILE  10 -15.914  -2.268   1.012
   81    HB   ILE  10           HB       ILE  10 -17.103  -0.218   1.385
   82   1HG1  ILE  10          1HG1      ILE  10 -19.170  -1.899   2.817
   83   2HG1  ILE  10          2HG1      ILE  10 -18.110  -0.701   3.555
   84   1HG2  ILE  10          1HG2      ILE  10 -17.688  -1.528  -0.592
   85   2HG2  ILE  10          2HG2      ILE  10 -18.981  -2.312   0.312
   86   3HG2  ILE  10          3HG2      ILE  10 -19.058  -0.580  -0.007
   87   1HD1  ILE  10          1HD1      ILE  10 -19.481   0.571   1.438
   88   2HD1  ILE  10          2HD1      ILE  10 -20.666  -0.336   2.381
   89   3HD1  ILE  10          3HD1      ILE  10 -19.632   0.852   3.175
   90    H    SER  11           H        SER  11 -17.229  -3.241   4.067
   91    HA   SER  11           HA       SER  11 -15.878  -1.458   5.761
   92   1HB   SER  11          1HB       SER  11 -17.466  -3.797   6.060
   93   2HB   SER  11          2HB       SER  11 -15.974  -4.064   6.961
   94    HG   SER  11           HG       SER  11 -17.234  -3.005   8.370
   95    H    HIS  12           H        HIS  12 -14.930  -4.557   4.336
   96    HA   HIS  12           HA       HIS  12 -12.385  -4.650   5.600
   97   1HB   HIS  12          1HB       HIS  12 -12.715  -6.758   4.876
   98   2HB   HIS  12          2HB       HIS  12 -13.912  -6.246   3.698
   99    HD1  HIS  12           HD1      HIS  12 -10.271  -7.054   4.052
  100    HD2  HIS  12           HD2      HIS  12 -12.976  -5.976   1.091
  101    HE1  HIS  12           HE1      HIS  12  -9.074  -7.449   1.875
  102    HE2  HIS  12           HE2      HIS  12 -10.731  -6.790   0.093
  103    H    HIS  13           H        HIS  13 -13.570  -3.381   2.523
  104    HA   HIS  13           HA       HIS  13 -11.076  -2.765   1.375
  105   1HB   HIS  13          1HB       HIS  13 -13.681  -1.276   1.001
  106   2HB   HIS  13          2HB       HIS  13 -12.288  -1.227  -0.072
  107    HD1  HIS  13           HD1      HIS  13 -11.874  -4.421   0.041
  108    HD2  HIS  13           HD2      HIS  13 -15.341  -2.350  -0.916
  109    HE1  HIS  13           HE1      HIS  13 -13.233  -6.005  -1.364
  110    HE2  HIS  13           HE2      HIS  13 -15.333  -4.731  -1.934
  111    H    ALA  14           H        ALA  14 -12.934  -1.238   3.868
  112    HA   ALA  14           HA       ALA  14 -11.698   1.327   3.725
  113   1HB   ALA  14          1HB       ALA  14 -12.659   1.648   5.993
  114   2HB   ALA  14          2HB       ALA  14 -13.844   1.102   4.807
  115   3HB   ALA  14          3HB       ALA  14 -13.177  -0.038   5.975
  116    H    LYS  15           H        LYS  15 -11.304  -1.442   5.923
  117    HA   LYS  15           HA       LYS  15  -8.984  -0.368   7.178
  118   1HB   LYS  15          1HB       LYS  15  -9.949  -3.233   7.058
  119   2HB   LYS  15          2HB       LYS  15  -8.737  -2.604   8.166
  120   1HG   LYS  15          1HG       LYS  15 -10.719  -0.945   8.779
  121   2HG   LYS  15          2HG       LYS  15 -11.681  -2.307   8.201
  122   1HD   LYS  15          1HD       LYS  15 -11.434  -3.218  10.219
  123   2HD   LYS  15          2HD       LYS  15  -9.729  -3.450   9.826
  124   1HE   LYS  15          1HE       LYS  15  -9.504  -2.253  11.752
  125   2HE   LYS  15          2HE       LYS  15  -9.585  -0.924  10.598
  126   1HZ   LYS  15          1HZ       LYS  15 -12.194  -1.454  11.226
  127   2HZ   LYS  15          2HZ       LYS  15 -11.386  -1.601  12.704
  128   3HZ   LYS  15          3HZ       LYS  15 -11.265  -0.168  11.812
  129    H    GLU  16           H        GLU  16  -9.490  -1.715   4.122
  130    HA   GLU  16           HA       GLU  16  -6.871  -2.912   3.871
  131   1HB   GLU  16          1HB       GLU  16  -9.278  -2.658   2.128
  132   2HB   GLU  16          2HB       GLU  16  -7.722  -2.940   1.360
  133   1HG   GLU  16          1HG       GLU  16  -9.141  -4.688   3.347
  134   2HG   GLU  16          2HG       GLU  16  -8.753  -5.047   1.666
  135    H    ILE  17           H        ILE  17  -8.530   0.050   2.847
  136    HA   ILE  17           HA       ILE  17  -6.328   0.952   1.233
  137    HB   ILE  17           HB       ILE  17  -8.484   1.790   0.651
  138   1HG1  ILE  17          1HG1      ILE  17  -6.826   3.957   1.965
  139   2HG1  ILE  17          2HG1      ILE  17  -6.707   3.400   0.300
  140   1HG2  ILE  17          1HG2      ILE  17  -8.702   2.341   3.551
  141   2HG2  ILE  17          2HG2      ILE  17  -9.537   3.438   2.454
  142   3HG2  ILE  17          3HG2      ILE  17  -9.900   1.714   2.419
  143   1HD1  ILE  17          1HD1      ILE  17  -9.204   4.160   0.187
  144   2HD1  ILE  17          2HD1      ILE  17  -8.746   5.145   1.576
  145   3HD1  ILE  17          3HD1      ILE  17  -7.895   5.333   0.043
  146    H    GLU  18           H        GLU  18  -7.349   1.327   4.564
  147    HA   GLU  18           HA       GLU  18  -5.452   3.401   5.159
  148   1HB   GLU  18          1HB       GLU  18  -7.284   1.686   6.810
  149   2HB   GLU  18          2HB       GLU  18  -6.066   2.694   7.578
  150   1HG   GLU  18          1HG       GLU  18  -7.048   4.650   6.365
  151   2HG   GLU  18          2HG       GLU  18  -8.358   3.586   5.852
  152    H    ARG  19           H        ARG  19  -5.624  -0.103   5.597
  153    HA   ARG  19           HA       ARG  19  -3.144  -0.273   7.009
  154   1HB   ARG  19          1HB       ARG  19  -5.093  -1.952   7.035
  155   2HB   ARG  19          2HB       ARG  19  -4.447  -2.535   5.507
  156   1HG   ARG  19          1HG       ARG  19  -2.320  -3.042   6.601
  157   2HG   ARG  19          2HG       ARG  19  -2.976  -2.466   8.134
  158   1HD   ARG  19          1HD       ARG  19  -3.420  -4.674   8.400
  159   2HD   ARG  19          2HD       ARG  19  -4.876  -4.228   7.513
  160    HE   ARG  19           HE       ARG  19  -4.186  -5.643   5.877
  161   1HH1  ARG  19          1HH1      ARG  19  -1.372  -4.492   7.575
  162   2HH1  ARG  19          2HH1      ARG  19  -0.261  -5.436   6.639
  163   1HH2  ARG  19          1HH2      ARG  19  -2.733  -6.892   4.639
  164   2HH2  ARG  19          2HH2      ARG  19  -1.034  -6.800   4.970
  165    H    LEU  20           H        LEU  20  -4.084  -0.196   3.678
  166    HA   LEU  20           HA       LEU  20  -1.674  -1.339   2.644
  167   1HB   LEU  20          1HB       LEU  20  -4.089  -0.043   1.534
  168   2HB   LEU  20          2HB       LEU  20  -2.635   0.108   0.573
  169    HG   LEU  20           HG       LEU  20  -4.191  -1.842   0.042
  170   1HD1  LEU  20          1HD1      LEU  20  -1.900  -1.633  -0.805
  171   2HD1  LEU  20          2HD1      LEU  20  -1.298  -2.438   0.645
  172   3HD1  LEU  20          3HD1      LEU  20  -2.335  -3.312  -0.483
  173   1HD2  LEU  20          1HD2      LEU  20  -3.859  -2.350   2.763
  174   2HD2  LEU  20          2HD2      LEU  20  -4.623  -3.398   1.567
  175   3HD2  LEU  20          3HD2      LEU  20  -2.911  -3.591   1.943
  176    H    GLN  21           H        GLN  21  -2.873   1.920   3.270
  177    HA   GLN  21           HA       GLN  21  -0.750   3.326   2.060
  178   1HB   GLN  21          1HB       GLN  21  -2.950   3.942   3.917
  179   2HB   GLN  21          2HB       GLN  21  -1.541   4.980   4.086
  180   1HG   GLN  21          1HG       GLN  21  -1.673   5.395   1.617
  181   2HG   GLN  21          2HG       GLN  21  -3.219   4.546   1.632
  182   2HE2  GLN  21          2HE2      GLN  21  -1.623   7.012   3.633
  183   1HE2  GLN  21          1HE2      GLN  21  -2.963   8.102   3.657
  184    H    LYS  22           H        LYS  22  -1.275   2.271   5.414
  185    HA   LYS  22           HA       LYS  22   1.140   3.317   6.437
  186   1HB   LYS  22          1HB       LYS  22  -1.015   2.328   7.621
  187   2HB   LYS  22          2HB       LYS  22  -0.063   0.850   7.612
  188   1HG   LYS  22          1HG       LYS  22   1.405   3.188   8.563
  189   2HG   LYS  22          2HG       LYS  22   0.004   2.765   9.550
  190   1HD   LYS  22          1HD       LYS  22   2.033   0.719   8.695
  191   2HD   LYS  22          2HD       LYS  22   2.234   1.683  10.159
  192   1HE   LYS  22          1HE       LYS  22   0.698   0.501  11.282
  193   2HE   LYS  22          2HE       LYS  22  -0.412   0.475   9.913
  194   1HZ   LYS  22          1HZ       LYS  22   1.996  -1.243  10.016
  195   2HZ   LYS  22          2HZ       LYS  22   0.515  -1.734  10.671
  196   3HZ   LYS  22          3HZ       LYS  22   0.639  -1.400   9.017
  197    H    GLU  23           H        GLU  23   0.332   0.358   4.783
  198    HA   GLU  23           HA       GLU  23   2.681  -1.089   5.433
  199   1HB   GLU  23          1HB       GLU  23   0.315  -1.560   3.979
  200   2HB   GLU  23          2HB       GLU  23   1.636  -1.810   2.847
  201   1HG   GLU  23          1HG       GLU  23   2.345  -3.675   3.877
  202   2HG   GLU  23          2HG       GLU  23   1.993  -3.049   5.487
  203    H    ILE  24           H        ILE  24   1.841   1.145   2.839
  204    HA   ILE  24           HA       ILE  24   4.150   0.676   1.272
  205    HB   ILE  24           HB       ILE  24   3.442   2.320  -0.139
  206   1HG1  ILE  24          1HG1      ILE  24   2.088   4.370   0.737
  207   2HG1  ILE  24          2HG1      ILE  24   2.745   3.917   2.309
  208   1HG2  ILE  24          1HG2      ILE  24   1.445   0.842   0.797
  209   2HG2  ILE  24          2HG2      ILE  24   0.825   2.437   1.227
  210   3HG2  ILE  24          3HG2      ILE  24   1.221   2.068  -0.452
  211   1HD1  ILE  24          1HD1      ILE  24   4.850   3.934   0.383
  212   2HD1  ILE  24          2HD1      ILE  24   3.958   5.456   0.297
  213   3HD1  ILE  24          3HD1      ILE  24   4.652   4.924   1.830
  214    H    GLU  25           H        GLU  25   3.412   2.951   3.862
  215    HA   GLU  25           HA       GLU  25   5.744   4.487   3.770
  216   1HB   GLU  25          1HB       GLU  25   3.621   4.847   5.167
  217   2HB   GLU  25          2HB       GLU  25   4.340   3.743   6.330
  218   1HG   GLU  25          1HG       GLU  25   5.227   5.574   7.232
  219   2HG   GLU  25          2HG       GLU  25   6.377   5.499   5.899
  220    H    ARG  26           H        ARG  26   5.047   1.463   5.490
  221    HA   ARG  26           HA       ARG  26   7.422   1.226   6.921
  222   1HB   ARG  26          1HB       ARG  26   5.344  -0.643   5.943
  223   2HB   ARG  26          2HB       ARG  26   6.897  -1.365   6.341
  224   1HG   ARG  26          1HG       ARG  26   6.016   0.478   8.390
  225   2HG   ARG  26          2HG       ARG  26   4.834  -0.798   8.092
  226   1HD   ARG  26          1HD       ARG  26   6.295  -1.606   9.774
  227   2HD   ARG  26          2HD       ARG  26   6.728  -2.445   8.285
  228    HE   ARG  26           HE       ARG  26   8.286  -0.084   8.731
  229   1HH1  ARG  26          1HH1      ARG  26   7.968  -3.463   9.507
  230   2HH1  ARG  26          2HH1      ARG  26   9.649  -3.672   9.868
  231   1HH2  ARG  26          1HH2      ARG  26  10.503  -0.347   9.204
  232   2HH2  ARG  26          2HH2      ARG  26  11.091  -1.900   9.696
  233    H    HIS  27           H        HIS  27   6.631   0.017   3.670
  234    HA   HIS  27           HA       HIS  27   9.173  -1.066   3.124
  235   1HB   HIS  27          1HB       HIS  27   6.840  -0.222   1.445
  236   2HB   HIS  27          2HB       HIS  27   8.364  -0.624   0.661
  237    HD1  HIS  27           HD1      HIS  27   9.264  -3.117   1.145
  238    HD2  HIS  27           HD2      HIS  27   5.293  -2.367   2.116
  239    HE1  HIS  27           HE1      HIS  27   8.189  -5.379   1.373
  240    HE2  HIS  27           HE2      HIS  27   5.786  -4.902   1.962
  241    H    LYS  28           H        LYS  28   7.941   2.165   3.071
  242    HA   LYS  28           HA       LYS  28   9.954   3.274   1.374
  243   1HB   LYS  28          1HB       LYS  28   7.785   4.371   1.649
  244   2HB   LYS  28          2HB       LYS  28   8.105   4.604   3.361
  245   1HG   LYS  28          1HG       LYS  28  10.081   5.997   2.714
  246   2HG   LYS  28          2HG       LYS  28   9.518   5.896   1.045
  247   1HD   LYS  28          1HD       LYS  28   8.267   7.691   1.473
  248   2HD   LYS  28          2HD       LYS  28   7.265   6.646   2.483
  249   1HE   LYS  28          1HE       LYS  28   8.510   7.229   4.439
  250   2HE   LYS  28          2HE       LYS  28   9.716   8.086   3.480
  251   1HZ   LYS  28          1HZ       LYS  28   6.863   8.874   3.738
  252   2HZ   LYS  28          2HZ       LYS  28   8.153   9.598   4.560
  253   3HZ   LYS  28          3HZ       LYS  28   8.052   9.712   2.876
  254    H    GLN  29           H        GLN  29   9.687   2.572   4.764
  255    HA   GLN  29           HA       GLN  29  11.865   4.260   5.566
  256   1HB   GLN  29          1HB       GLN  29   9.942   3.449   7.041
  257   2HB   GLN  29          2HB       GLN  29  10.779   1.904   7.104
  258   1HG   GLN  29          1HG       GLN  29  11.837   2.705   8.879
  259   2HG   GLN  29          2HG       GLN  29  12.748   3.712   7.754
  260   2HE2  GLN  29          2HE2      GLN  29  11.898   5.853   7.306
  261   1HE2  GLN  29          1HE2      GLN  29  11.030   6.691   8.542
  262    H    SER  30           H        SER  30  11.452   0.891   4.662
  263    HA   SER  30           HA       SER  30  14.087   0.085   5.415
  264   1HB   SER  30          1HB       SER  30  12.453  -1.640   5.292
  265   2HB   SER  30          2HB       SER  30  11.970  -1.166   3.662
  266    HG   SER  30           HG       SER  30  13.336  -3.021   3.693
  267    H    ILE  31           H        ILE  31  12.575   1.139   2.399
  268    HA   ILE  31           HA       ILE  31  14.914   0.703   0.808
  269    HB   ILE  31           HB       ILE  31  12.770   0.624  -0.261
  270   1HG1  ILE  31          1HG1      ILE  31  13.033   2.534  -1.981
  271   2HG1  ILE  31          2HG1      ILE  31  14.487   2.957  -1.085
  272   1HG2  ILE  31          1HG2      ILE  31  12.111   2.732   1.422
  273   2HG2  ILE  31          2HG2      ILE  31  12.055   3.425  -0.198
  274   3HG2  ILE  31          3HG2      ILE  31  11.084   2.005   0.187
  275   1HD1  ILE  31          1HD1      ILE  31  15.042   0.420  -1.430
  276   2HD1  ILE  31          2HD1      ILE  31  13.909   0.588  -2.771
  277   3HD1  ILE  31          3HD1      ILE  31  15.349   1.605  -2.700
  278    H    LYS  32           H        LYS  32  13.615   3.379   2.644
  279    HA   LYS  32           HA       LYS  32  15.449   5.295   1.500
  280   1HB   LYS  32          1HB       LYS  32  13.164   5.907   2.315
  281   2HB   LYS  32          2HB       LYS  32  13.709   5.582   3.954
  282   1HG   LYS  32          1HG       LYS  32  14.450   7.657   4.107
  283   2HG   LYS  32          2HG       LYS  32  15.579   7.346   2.787
  284   1HD   LYS  32          1HD       LYS  32  12.771   7.872   2.027
  285   2HD   LYS  32          2HD       LYS  32  13.677   9.237   2.684
  286   1HE   LYS  32          1HE       LYS  32  15.449   8.815   1.015
  287   2HE   LYS  32          2HE       LYS  32  14.466   7.522   0.331
  288   1HZ   LYS  32          1HZ       LYS  32  12.727   9.526   0.281
  289   2HZ   LYS  32          2HZ       LYS  32  14.162  10.403   0.102
  290   3HZ   LYS  32          3HZ       LYS  32  13.775   9.182  -1.002
  291    H    LYS  33           H        LYS  33  15.406   3.080   4.149
  292    HA   LYS  33           HA       LYS  33  17.524   4.417   5.591
  293   1HB   LYS  33          1HB       LYS  33  15.831   3.212   6.854
  294   2HB   LYS  33          2HB       LYS  33  16.219   1.722   6.006
  295   1HG   LYS  33          1HG       LYS  33  18.389   1.639   7.028
  296   2HG   LYS  33          2HG       LYS  33  18.145   3.224   7.766
  297   1HD   LYS  33          1HD       LYS  33  16.110   2.172   8.908
  298   2HD   LYS  33          2HD       LYS  33  16.792   0.621   8.417
  299   1HE   LYS  33          1HE       LYS  33  18.968   1.601   9.518
  300   2HE   LYS  33          2HE       LYS  33  17.815   2.615  10.383
  301   1HZ   LYS  33          1HZ       LYS  33  17.777  -0.355  10.318
  302   2HZ   LYS  33          2HZ       LYS  33  18.340   0.588  11.603
  303   3HZ   LYS  33          3HZ       LYS  33  16.704   0.633  11.177
  304    H    LEU  34           H        LEU  34  17.205   1.772   3.302
  305    HA   LEU  34           HA       LEU  34  19.963   0.961   3.702
  306   1HB   LEU  34          1HB       LEU  34  17.886   0.035   1.718
  307   2HB   LEU  34          2HB       LEU  34  19.488  -0.658   1.888
  308    HG   LEU  34           HG       LEU  34  17.725  -0.584   4.289
  309   1HD1  LEU  34          1HD1      LEU  34  16.416  -1.434   2.263
  310   2HD1  LEU  34          2HD1      LEU  34  17.518  -2.812   2.294
  311   3HD1  LEU  34          3HD1      LEU  34  16.490  -2.473   3.687
  312   1HD2  LEU  34          1HD2      LEU  34  20.069  -1.349   4.407
  313   2HD2  LEU  34          2HD2      LEU  34  18.916  -2.616   4.827
  314   3HD2  LEU  34          3HD2      LEU  34  19.689  -2.618   3.242
  315    H    LYS  35           H        LYS  35  18.076   2.967   1.599
  316    HA   LYS  35           HA       LYS  35  20.153   3.189  -0.404
  317   1HB   LYS  35          1HB       LYS  35  17.652   3.336  -0.864
  318   2HB   LYS  35          2HB       LYS  35  17.703   4.929  -0.123
  319   1HG   LYS  35          1HG       LYS  35  19.729   4.551  -2.184
  320   2HG   LYS  35          2HG       LYS  35  18.075   4.384  -2.778
  321   1HD   LYS  35          1HD       LYS  35  18.156   6.627  -2.948
  322   2HD   LYS  35          2HD       LYS  35  17.848   6.590  -1.211
  323   1HE   LYS  35          1HE       LYS  35  19.952   7.234  -0.690
  324   2HE   LYS  35          2HE       LYS  35  20.670   6.334  -2.025
  325   1HZ   LYS  35          1HZ       LYS  35  19.051   8.623  -2.774
  326   2HZ   LYS  35          2HZ       LYS  35  20.490   8.986  -1.962
  327   3HZ   LYS  35          3HZ       LYS  35  20.531   8.093  -3.398
  328    H    GLN  36           H        GLN  36  19.057   4.886   2.435
  329    HA   GLN  36           HA       GLN  36  20.675   7.227   1.869
  330   1HB   GLN  36          1HB       GLN  36  18.573   7.592   2.998
  331   2HB   GLN  36          2HB       GLN  36  18.998   6.442   4.257
  332   1HG   GLN  36          1HG       GLN  36  19.208   8.759   5.005
  333   2HG   GLN  36          2HG       GLN  36  20.748   7.902   5.052
  334   2HE2  GLN  36          2HE2      GLN  36  19.347  10.743   4.277
  335   1HE2  GLN  36          1HE2      GLN  36  20.481  11.331   3.113
  336    H    SER  37           H        SER  37  20.844   4.289   3.730
  337    HA   SER  37           HA       SER  37  23.201   5.141   5.187
  338   1HB   SER  37          1HB       SER  37  21.873   2.421   5.073
  339   2HB   SER  37          2HB       SER  37  23.123   2.920   6.214
  340    HG   SER  37           HG       SER  37  21.445   4.697   6.651
  341    H    GLU  38           H        GLU  38  22.406   3.414   2.294
  342    HA   GLU  38           HA       GLU  38  25.055   2.250   2.043
  343   1HB   GLU  38          1HB       GLU  38  23.007   1.039   1.285
  344   2HB   GLU  38          2HB       GLU  38  22.788   2.265   0.043
  345   1HG   GLU  38          1HG       GLU  38  25.455   1.193  -0.051
  346   2HG   GLU  38          2HG       GLU  38  24.257  -0.097  -0.140
  347    H    ASP  39           H        ASP  39  23.319   5.061   1.020
  348    HA   ASP  39           HA       ASP  39  25.224   5.700  -1.081
  349   1HB   ASP  39          1HB       ASP  39  22.908   6.259  -1.501
  350   2HB   ASP  39          2HB       ASP  39  22.818   7.188  -0.008
  351    H    ASP  40           H        ASP  40  24.640   6.425   2.254
  352    HA   ASP  40           HA       ASP  40  27.056   8.071   2.292
  353   1HB   ASP  40          1HB       ASP  40  24.852   9.462   2.200
  354   2HB   ASP  40          2HB       ASP  40  24.674   8.972   3.882
  355    H    ASP  41           H        ASP  41  27.166   5.549   3.063
  356    HA   ASP  41           HA       ASP  41  26.456   5.074   5.777
  357   1HB   ASP  41          1HB       ASP  41  27.205   3.467   3.728
  358   2HB   ASP  41          2HB       ASP  41  28.713   3.540   4.635
  359    H1   ALA   1           H1       ALA   1  32.824  -1.845  -5.879
  360    H2   ALA   1           H2       ALA   1  32.748  -1.441  -7.545
  361    H3   ALA   1           H3       ALA   1  32.409  -0.252  -6.360
  362    HA   ALA   1           HA       ALA   1  30.376  -0.965  -5.984
  363   1HB   ALA   1          1HB       ALA   1  29.364  -1.917  -8.070
  364   2HB   ALA   1          2HB       ALA   1  30.325  -0.457  -8.306
  365   3HB   ALA   1          3HB       ALA   1  30.995  -2.032  -8.730
  366    H    LEU   2           H        LEU   2  31.750  -2.650  -4.459
  367    HA   LEU   2           HA       LEU   2  31.213  -5.404  -5.128
  368   1HB   LEU   2          1HB       LEU   2  32.526  -3.950  -2.892
  369   2HB   LEU   2          2HB       LEU   2  31.886  -5.543  -2.543
  370    HG   LEU   2           HG       LEU   2  33.384  -5.726  -4.954
  371   1HD1  LEU   2          1HD1      LEU   2  34.570  -3.978  -2.875
  372   2HD1  LEU   2          2HD1      LEU   2  35.619  -5.175  -3.635
  373   3HD1  LEU   2          3HD1      LEU   2  34.792  -3.973  -4.625
  374   1HD2  LEU   2          1HD2      LEU   2  33.298  -6.905  -2.270
  375   2HD2  LEU   2          2HD2      LEU   2  33.466  -7.677  -3.847
  376   3HD2  LEU   2          3HD2      LEU   2  34.875  -6.971  -3.056
  377    H    LYS   3           H        LYS   3  30.302  -6.593  -2.902
  378    HA   LYS   3           HA       LYS   3  28.284  -7.246  -2.036
  379   1HB   LYS   3          1HB       LYS   3  29.234  -4.938  -0.778
  380   2HB   LYS   3          2HB       LYS   3  27.516  -4.646  -1.011
  381   1HG   LYS   3          1HG       LYS   3  27.278  -5.751   0.913
  382   2HG   LYS   3          2HG       LYS   3  27.509  -7.199  -0.071
  383   1HD   LYS   3          1HD       LYS   3  30.043  -6.741   0.365
  384   2HD   LYS   3          2HD       LYS   3  29.440  -5.797   1.728
  385   1HE   LYS   3          1HE       LYS   3  28.542  -7.651   2.783
  386   2HE   LYS   3          2HE       LYS   3  28.456  -8.584   1.290
  387   1HZ   LYS   3          1HZ       LYS   3  30.953  -7.861   2.727
  388   2HZ   LYS   3          2HZ       LYS   3  30.215  -9.382   2.748
  389   3HZ   LYS   3          3HZ       LYS   3  30.860  -8.776   1.307
  390    H    LYS   4           H        LYS   4  27.342  -7.501  -4.191
  391    HA   LYS   4           HA       LYS   4  25.491  -5.392  -5.003
  392   1HB   LYS   4          1HB       LYS   4  25.179  -6.707  -7.037
  393   2HB   LYS   4          2HB       LYS   4  26.887  -6.425  -6.734
  394   1HG   LYS   4          1HG       LYS   4  27.034  -8.619  -7.206
  395   2HG   LYS   4          2HG       LYS   4  26.605  -8.786  -5.502
  396   1HD   LYS   4          1HD       LYS   4  24.408  -9.354  -5.980
  397   2HD   LYS   4          2HD       LYS   4  24.462  -8.618  -7.583
  398   1HE   LYS   4          1HE       LYS   4  25.983 -10.397  -8.330
  399   2HE   LYS   4          2HE       LYS   4  25.886 -11.138  -6.733
  400   1HZ   LYS   4          1HZ       LYS   4  23.314 -10.984  -7.324
  401   2HZ   LYS   4          2HZ       LYS   4  23.934 -11.116  -8.892
  402   3HZ   LYS   4          3HZ       LYS   4  24.268 -12.315  -7.746
  403    H    HIS   5           H        HIS   5  25.147  -7.166  -2.596
  404    HA   HIS   5           HA       HIS   5  22.665  -8.550  -3.330
  405   1HB   HIS   5          1HB       HIS   5  23.888  -8.711  -0.599
  406   2HB   HIS   5          2HB       HIS   5  22.934  -9.910  -1.464
  407    HD1  HIS   5           HD1      HIS   5  24.781  -9.791  -4.080
  408    HD2  HIS   5           HD2      HIS   5  26.036 -10.415  -0.169
  409    HE1  HIS   5           HE1      HIS   5  26.981 -10.995  -4.265
  410    HE2  HIS   5           HE2      HIS   5  27.723 -11.364  -1.885
  411    H    HIS   6           H        HIS   6  23.966  -5.962  -1.383
  412    HA   HIS   6           HA       HIS   6  21.568  -5.465   0.092
  413   1HB   HIS   6          1HB       HIS   6  24.198  -4.103  -0.246
  414   2HB   HIS   6          2HB       HIS   6  22.851  -3.148   0.366
  415    HD1  HIS   6           HD1      HIS   6  23.435  -6.768   1.252
  416    HD2  HIS   6           HD2      HIS   6  23.700  -2.998   2.980
  417    HE1  HIS   6           HE1      HIS   6  23.854  -7.178   3.698
  418    HE2  HIS   6           HE2      HIS   6  24.012  -4.883   4.725
  419    H    GLU   7           H        GLU   7  23.028  -4.127  -2.838
  420    HA   GLU   7           HA       GLU   7  21.134  -2.040  -3.169
  421   1HB   GLU   7          1HB       GLU   7  22.722  -3.369  -5.366
  422   2HB   GLU   7          2HB       GLU   7  22.078  -1.734  -5.349
  423   1HG   GLU   7          1HG       GLU   7  23.866  -0.933  -4.304
  424   2HG   GLU   7          2HG       GLU   7  23.857  -2.236  -3.116
  425    H    ASN   8           H        ASN   8  21.229  -5.402  -4.123
  426    HA   ASN   8           HA       ASN   8  19.074  -5.289  -5.973
  427   1HB   ASN   8          1HB       ASN   8  20.781  -7.325  -4.807
  428   2HB   ASN   8          2HB       ASN   8  19.110  -7.872  -4.901
  429   2HD2  ASN   8          2HD2      ASN   8  20.859  -9.211  -6.363
  430   1HD2  ASN   8          1HD2      ASN   8  20.713  -8.828  -8.041
  431    H    GLU   9           H        GLU   9  19.313  -6.067  -2.528
  432    HA   GLU   9           HA       GLU   9  16.628  -6.773  -2.124
  433   1HB   GLU   9          1HB       GLU   9  18.600  -7.096  -0.536
  434   2HB   GLU   9          2HB       GLU   9  18.369  -5.417  -0.069
  435   1HG   GLU   9          1HG       GLU   9  15.906  -6.184   0.347
  436   2HG   GLU   9          2HG       GLU   9  16.638  -7.784   0.443
  437    H    ILE  10           H        ILE  10  18.272  -3.629  -1.811
  438    HA   ILE  10           HA       ILE  10  15.918  -2.257  -1.010
  439    HB   ILE  10           HB       ILE  10  17.107  -0.207  -1.383
  440   1HG1  ILE  10          1HG1      ILE  10  19.175  -1.885  -2.817
  441   2HG1  ILE  10          2HG1      ILE  10  18.111  -0.691  -3.555
  442   1HG2  ILE  10          1HG2      ILE  10  17.694  -1.528   0.590
  443   2HG2  ILE  10          2HG2      ILE  10  18.995  -2.297  -0.318
  444   3HG2  ILE  10          3HG2      ILE  10  19.055  -0.566   0.012
  445   1HD1  ILE  10          1HD1      ILE  10  19.480   0.587  -1.441
  446   2HD1  ILE  10          2HD1      ILE  10  20.667  -0.318  -2.385
  447   3HD1  ILE  10          3HD1      ILE  10  19.629   0.867  -3.178
  448    H    SER  11           H        SER  11  17.235  -3.221  -4.068
  449    HA   SER  11           HA       SER  11  15.880  -1.440  -5.759
  450   1HB   SER  11          1HB       SER  11  17.471  -3.775  -6.062
  451   2HB   SER  11          2HB       SER  11  15.980  -4.044  -6.962
  452    HG   SER  11           HG       SER  11  17.234  -2.980  -8.372
  453    H    HIS  12           H        HIS  12  14.935  -4.544  -4.340
  454    HA   HIS  12           HA       HIS  12  12.391  -4.639  -5.603
  455   1HB   HIS  12          1HB       HIS  12  12.722  -6.747  -4.880
  456   2HB   HIS  12          2HB       HIS  12  13.920  -6.235  -3.704
  457    HD1  HIS  12           HD1      HIS  12  10.278  -7.040  -4.055
  458    HD2  HIS  12           HD2      HIS  12  12.987  -5.972  -1.095
  459    HE1  HIS  12           HE1      HIS  12   9.082  -7.438  -1.878
  460    HE2  HIS  12           HE2      HIS  12  10.741  -6.784  -0.096
  461    H    HIS  13           H        HIS  13  13.574  -3.370  -2.524
  462    HA   HIS  13           HA       HIS  13  11.079  -2.759  -1.378
  463   1HB   HIS  13          1HB       HIS  13  13.682  -1.268  -1.001
  464   2HB   HIS  13          2HB       HIS  13  12.289  -1.221   0.072
  465    HD1  HIS  13           HD1      HIS  13  11.879  -4.417  -0.046
  466    HD2  HIS  13           HD2      HIS  13  15.342  -2.341   0.917
  467    HE1  HIS  13           HE1      HIS  13  13.239  -6.000   1.361
  468    HE2  HIS  13           HE2      HIS  13  15.336  -4.722   1.934
  469    H    ALA  14           H        ALA  14  12.935  -1.227  -3.867
  470    HA   ALA  14           HA       ALA  14  11.698   1.336  -3.723
  471   1HB   ALA  14          1HB       ALA  14  13.178  -0.026  -5.973
  472   2HB   ALA  14          2HB       ALA  14  13.845   1.113  -4.803
  473   3HB   ALA  14          3HB       ALA  14  12.659   1.660  -5.990
  474    H    LYS  15           H        LYS  15  11.304  -1.434  -5.921
  475    HA   LYS  15           HA       LYS  15   8.985  -0.356  -7.176
  476   1HB   LYS  15          1HB       LYS  15   9.951  -3.222  -7.062
  477   2HB   LYS  15          2HB       LYS  15   8.739  -2.590  -8.169
  478   1HG   LYS  15          1HG       LYS  15  10.718  -0.929  -8.778
  479   2HG   LYS  15          2HG       LYS  15  11.684  -2.290  -8.201
  480   1HD   LYS  15          1HD       LYS  15  11.438  -3.201 -10.219
  481   2HD   LYS  15          2HD       LYS  15   9.734  -3.436  -9.828
  482   1HE   LYS  15          1HE       LYS  15   9.508  -2.238 -11.753
  483   2HE   LYS  15          2HE       LYS  15   9.588  -0.908 -10.597
  484   1HZ   LYS  15          1HZ       LYS  15  12.196  -1.437 -11.227
  485   2HZ   LYS  15          2HZ       LYS  15  11.388  -1.583 -12.705
  486   3HZ   LYS  15          3HZ       LYS  15  11.268  -0.151 -11.812
  487    H    GLU  16           H        GLU  16   9.490  -1.706  -4.122
  488    HA   GLU  16           HA       GLU  16   6.873  -2.906  -3.872
  489   1HB   GLU  16          1HB       GLU  16   9.280  -2.653  -2.128
  490   2HB   GLU  16          2HB       GLU  16   7.724  -2.936  -1.361
  491   1HG   GLU  16          1HG       GLU  16   9.145  -4.682  -3.349
  492   2HG   GLU  16          2HG       GLU  16   8.754  -5.043  -1.669
  493    H    ILE  17           H        ILE  17   8.531   0.056  -2.845
  494    HA   ILE  17           HA       ILE  17   6.329   0.956  -1.230
  495    HB   ILE  17           HB       ILE  17   8.484   1.795  -0.647
  496   1HG1  ILE  17          1HG1      ILE  17   6.828   3.962  -1.961
  497   2HG1  ILE  17          2HG1      ILE  17   6.705   3.403  -0.297
  498   1HG2  ILE  17          1HG2      ILE  17   8.704   2.348  -3.549
  499   2HG2  ILE  17          2HG2      ILE  17   9.538   3.443  -2.449
  500   3HG2  ILE  17          3HG2      ILE  17   9.901   1.719  -2.416
  501   1HD1  ILE  17          1HD1      ILE  17   9.202   4.163  -0.180
  502   2HD1  ILE  17          2HD1      ILE  17   8.748   5.149  -1.569
  503   3HD1  ILE  17          3HD1      ILE  17   7.895   5.336  -0.037
  504    H    GLU  18           H        GLU  18   7.351   1.337  -4.561
  505    HA   GLU  18           HA       GLU  18   5.450   3.410  -5.154
  506   1HB   GLU  18          1HB       GLU  18   7.285   1.697  -6.807
  507   2HB   GLU  18          2HB       GLU  18   6.066   2.705  -7.575
  508   1HG   GLU  18          1HG       GLU  18   7.047   4.660  -6.359
  509   2HG   GLU  18          2HG       GLU  18   8.357   3.597  -5.847
  510    H    ARG  19           H        ARG  19   5.626  -0.093  -5.594
  511    HA   ARG  19           HA       ARG  19   3.145  -0.265  -7.005
  512   1HB   ARG  19          1HB       ARG  19   5.096  -1.940  -7.033
  513   2HB   ARG  19          2HB       ARG  19   4.450  -2.527  -5.506
  514   1HG   ARG  19          1HG       ARG  19   2.323  -3.034  -6.604
  515   2HG   ARG  19          2HG       ARG  19   2.983  -2.457  -8.135
  516   1HD   ARG  19          1HD       ARG  19   3.428  -4.666  -8.399
  517   2HD   ARG  19          2HD       ARG  19   4.883  -4.218  -7.511
  518    HE   ARG  19           HE       ARG  19   4.191  -5.630  -5.872
  519   1HH1  ARG  19          1HH1      ARG  19   1.379  -4.493  -7.584
  520   2HH1  ARG  19          2HH1      ARG  19   0.268  -5.440  -6.651
  521   1HH2  ARG  19          1HH2      ARG  19   2.737  -6.881  -4.637
  522   2HH2  ARG  19          2HH2      ARG  19   1.041  -6.797  -4.975
  523    H    LEU  20           H        LEU  20   4.086  -0.190  -3.675
  524    HA   LEU  20           HA       LEU  20   1.676  -1.336  -2.641
  525   1HB   LEU  20          1HB       LEU  20   4.090  -0.041  -1.530
  526   2HB   LEU  20          2HB       LEU  20   2.638   0.108  -0.569
  527    HG   LEU  20           HG       LEU  20   4.194  -1.842  -0.041
  528   1HD1  LEU  20          1HD1      LEU  20   1.903  -1.634   0.807
  529   2HD1  LEU  20          2HD1      LEU  20   1.301  -2.437  -0.643
  530   3HD1  LEU  20          3HD1      LEU  20   2.339  -3.312   0.484
  531   1HD2  LEU  20          1HD2      LEU  20   3.861  -2.348  -2.763
  532   2HD2  LEU  20          2HD2      LEU  20   4.625  -3.395  -1.569
  533   3HD2  LEU  20          3HD2      LEU  20   2.913  -3.589  -1.943
  534    H    GLN  21           H        GLN  21   2.873   1.924  -3.267
  535    HA   GLN  21           HA       GLN  21   0.749   3.327  -2.054
  536   1HB   GLN  21          1HB       GLN  21   2.950   3.946  -3.909
  537   2HB   GLN  21          2HB       GLN  21   1.541   4.983  -4.080
  538   1HG   GLN  21          1HG       GLN  21   1.668   5.399  -1.610
  539   2HG   GLN  21          2HG       GLN  21   3.215   4.552  -1.622
  540   2HE2  GLN  21          2HE2      GLN  21   1.620   7.018  -3.623
  541   1HE2  GLN  21          1HE2      GLN  21   2.959   8.108  -3.647
  542    H    LYS  22           H        LYS  22   1.277   2.275  -5.410
  543    HA   LYS  22           HA       LYS  22  -1.138   3.321  -6.434
  544   1HB   LYS  22          1HB       LYS  22   1.019   2.332  -7.615
  545   2HB   LYS  22          2HB       LYS  22   0.066   0.854  -7.608
  546   1HG   LYS  22          1HG       LYS  22  -1.399   3.195  -8.559
  547   2HG   LYS  22          2HG       LYS  22   0.003   2.771  -9.545
  548   1HD   LYS  22          1HD       LYS  22  -2.028   0.726  -8.693
  549   2HD   LYS  22          2HD       LYS  22  -2.231   1.692 -10.156
  550   1HE   LYS  22          1HE       LYS  22  -0.697   0.510 -11.282
  551   2HE   LYS  22          2HE       LYS  22   0.416   0.483  -9.915
  552   1HZ   LYS  22          1HZ       LYS  22  -1.991  -1.235 -10.017
  553   2HZ   LYS  22          2HZ       LYS  22  -0.511  -1.725 -10.671
  554   3HZ   LYS  22          3HZ       LYS  22  -0.635  -1.391  -9.017
  555    H    GLU  23           H        GLU  23  -0.329   0.363  -4.779
  556    HA   GLU  23           HA       GLU  23  -2.678  -1.086  -5.430
  557   1HB   GLU  23          1HB       GLU  23  -0.311  -1.556  -3.976
  558   2HB   GLU  23          2HB       GLU  23  -1.634  -1.811  -2.845
  559   1HG   GLU  23          1HG       GLU  23  -2.332  -3.677  -3.874
  560   2HG   GLU  23          2HG       GLU  23  -1.995  -3.044  -5.484
  561    H    ILE  24           H        ILE  24  -1.839   1.149  -2.835
  562    HA   ILE  24           HA       ILE  24  -4.149   0.676  -1.268
  563    HB   ILE  24           HB       ILE  24  -3.444   2.320   0.143
  564   1HG1  ILE  24          1HG1      ILE  24  -2.090   4.371  -0.732
  565   2HG1  ILE  24          2HG1      ILE  24  -2.745   3.918  -2.304
  566   1HG2  ILE  24          1HG2      ILE  24  -1.446   0.844  -0.788
  567   2HG2  ILE  24          2HG2      ILE  24  -0.825   2.435  -1.225
  568   3HG2  ILE  24          3HG2      ILE  24  -1.221   2.073   0.456
  569   1HD1  ILE  24          1HD1      ILE  24  -4.852   3.933  -0.381
  570   2HD1  ILE  24          2HD1      ILE  24  -3.962   5.455  -0.294
  571   3HD1  ILE  24          3HD1      ILE  24  -4.653   4.925  -1.827
  572    H    GLU  25           H        GLU  25  -3.412   2.953  -3.858
  573    HA   GLU  25           HA       GLU  25  -5.746   4.487  -3.765
  574   1HB   GLU  25          1HB       GLU  25  -3.623   4.851  -5.162
  575   2HB   GLU  25          2HB       GLU  25  -4.343   3.747  -6.326
  576   1HG   GLU  25          1HG       GLU  25  -5.232   5.578  -7.226
  577   2HG   GLU  25          2HG       GLU  25  -6.380   5.502  -5.890
  578    H    ARG  26           H        ARG  26  -5.046   1.466  -5.488
  579    HA   ARG  26           HA       ARG  26  -7.420   1.228  -6.919
  580   1HB   ARG  26          1HB       ARG  26  -5.339  -0.639  -5.944
  581   2HB   ARG  26          2HB       ARG  26  -6.892  -1.363  -6.341
  582   1HG   ARG  26          1HG       ARG  26  -6.017   0.483  -8.390
  583   2HG   ARG  26          2HG       ARG  26  -4.832  -0.792  -8.095
  584   1HD   ARG  26          1HD       ARG  26  -6.295  -1.601  -9.775
  585   2HD   ARG  26          2HD       ARG  26  -6.724  -2.440  -8.285
  586    HE   ARG  26           HE       ARG  26  -8.286  -0.081  -8.725
  587   1HH1  ARG  26          1HH1      ARG  26  -7.964  -3.457  -9.515
  588   2HH1  ARG  26          2HH1      ARG  26  -9.645  -3.667  -9.874
  589   1HH2  ARG  26          1HH2      ARG  26 -10.503  -0.346  -9.197
  590   2HH2  ARG  26          2HH2      ARG  26 -11.089  -1.898  -9.694
  591    H    HIS  27           H        HIS  27  -6.628   0.019  -3.668
  592    HA   HIS  27           HA       HIS  27  -9.169  -1.069  -3.122
  593   1HB   HIS  27          1HB       HIS  27  -6.837  -0.222  -1.445
  594   2HB   HIS  27          2HB       HIS  27  -8.360  -0.625  -0.659
  595    HD1  HIS  27           HD1      HIS  27  -9.258  -3.119  -1.144
  596    HD2  HIS  27           HD2      HIS  27  -5.288  -2.366  -2.113
  597    HE1  HIS  27           HE1      HIS  27  -8.181  -5.381  -1.373
  598    HE2  HIS  27           HE2      HIS  27  -5.779  -4.902  -1.960
  599    H    LYS  28           H        LYS  28  -7.941   2.164  -3.066
  600    HA   LYS  28           HA       LYS  28  -9.953   3.269  -1.369
  601   1HB   LYS  28          1HB       LYS  28  -7.786   4.367  -1.643
  602   2HB   LYS  28          2HB       LYS  28  -8.104   4.601  -3.355
  603   1HG   LYS  28          1HG       LYS  28 -10.081   5.993  -2.708
  604   2HG   LYS  28          2HG       LYS  28  -9.519   5.891  -1.038
  605   1HD   LYS  28          1HD       LYS  28  -8.263   7.683  -1.464
  606   2HD   LYS  28          2HD       LYS  28  -7.267   6.641  -2.482
  607   1HE   LYS  28          1HE       LYS  28  -8.517   7.232  -4.431
  608   2HE   LYS  28          2HE       LYS  28  -9.719   8.088  -3.464
  609   1HZ   LYS  28          1HZ       LYS  28  -6.867   8.873  -3.724
  610   2HZ   LYS  28          2HZ       LYS  28  -8.155   9.598  -4.548
  611   3HZ   LYS  28          3HZ       LYS  28  -8.055   9.711  -2.863
  612    H    GLN  29           H        GLN  29  -9.686   2.575  -4.761
  613    HA   GLN  29           HA       GLN  29 -11.863   4.261  -5.562
  614   1HB   GLN  29          1HB       GLN  29  -9.941   3.453  -7.036
  615   2HB   GLN  29          2HB       GLN  29 -10.776   1.907  -7.099
  616   1HG   GLN  29          1HG       GLN  29 -11.837   2.706  -8.875
  617   2HG   GLN  29          2HG       GLN  29 -12.747   3.713  -7.750
  618   2HE2  GLN  29          2HE2      GLN  29 -11.899   5.853  -7.301
  619   1HE2  GLN  29          1HE2      GLN  29 -11.032   6.693  -8.537
  620    H    SER  30           H        SER  30 -11.451   0.891  -4.662
  621    HA   SER  30           HA       SER  30 -14.086   0.085  -5.415
  622   1HB   SER  30          1HB       SER  30 -12.451  -1.639  -5.289
  623   2HB   SER  30          2HB       SER  30 -11.971  -1.163  -3.661
  624    HG   SER  30           HG       SER  30 -13.335  -3.020  -3.692
  625    H    ILE  31           H        ILE  31 -12.576   1.134  -2.396
  626    HA   ILE  31           HA       ILE  31 -14.916   0.699  -0.807
  627    HB   ILE  31           HB       ILE  31 -12.771   0.618   0.260
  628   1HG1  ILE  31          1HG1      ILE  31 -13.035   2.526   1.983
  629   2HG1  ILE  31          2HG1      ILE  31 -14.491   2.949   1.088
  630   1HG2  ILE  31          1HG2      ILE  31 -12.113   2.729  -1.419
  631   2HG2  ILE  31          2HG2      ILE  31 -12.056   3.420   0.200
  632   3HG2  ILE  31          3HG2      ILE  31 -11.085   2.001  -0.185
  633   1HD1  ILE  31          1HD1      ILE  31 -15.043   0.412   1.430
  634   2HD1  ILE  31          2HD1      ILE  31 -13.908   0.577   2.769
  635   3HD1  ILE  31          3HD1      ILE  31 -15.349   1.594   2.704
  636    H    LYS  32           H        LYS  32 -13.619   3.377  -2.643
  637    HA   LYS  32           HA       LYS  32 -15.455   5.290  -1.497
  638   1HB   LYS  32          1HB       LYS  32 -13.168   5.906  -2.306
  639   2HB   LYS  32          2HB       LYS  32 -13.712   5.583  -3.947
  640   1HG   LYS  32          1HG       LYS  32 -14.457   7.658  -4.097
  641   2HG   LYS  32          2HG       LYS  32 -15.584   7.345  -2.777
  642   1HD   LYS  32          1HD       LYS  32 -12.775   7.870  -2.019
  643   2HD   LYS  32          2HD       LYS  32 -13.682   9.235  -2.673
  644   1HE   LYS  32          1HE       LYS  32 -15.454   8.812  -1.004
  645   2HE   LYS  32          2HE       LYS  32 -14.468   7.518  -0.321
  646   1HZ   LYS  32          1HZ       LYS  32 -12.731   9.522  -0.272
  647   2HZ   LYS  32          2HZ       LYS  32 -14.166  10.399  -0.092
  648   3HZ   LYS  32          3HZ       LYS  32 -13.778   9.178   1.012
  649    H    LYS  33           H        LYS  33 -15.407   3.077  -4.147
  650    HA   LYS  33           HA       LYS  33 -17.523   4.415  -5.592
  651   1HB   LYS  33          1HB       LYS  33 -15.832   3.214  -6.856
  652   2HB   LYS  33          2HB       LYS  33 -16.213   1.724  -6.006
  653   1HG   LYS  33          1HG       LYS  33 -18.382   1.628  -7.027
  654   2HG   LYS  33          2HG       LYS  33 -18.148   3.214  -7.764
  655   1HD   LYS  33          1HD       LYS  33 -16.105   2.174  -8.907
  656   2HD   LYS  33          2HD       LYS  33 -16.785   0.619  -8.420
  657   1HE   LYS  33          1HE       LYS  33 -18.962   1.601  -9.521
  658   2HE   LYS  33          2HE       LYS  33 -17.806   2.613 -10.385
  659   1HZ   LYS  33          1HZ       LYS  33 -17.771  -0.358 -10.316
  660   2HZ   LYS  33          2HZ       LYS  33 -18.334   0.584 -11.604
  661   3HZ   LYS  33          3HZ       LYS  33 -16.698   0.628 -11.177
  662    H    LEU  34           H        LEU  34 -17.204   1.774  -3.301
  663    HA   LEU  34           HA       LEU  34 -19.962   0.958  -3.700
  664   1HB   LEU  34          1HB       LEU  34 -17.881   0.034  -1.720
  665   2HB   LEU  34          2HB       LEU  34 -19.482  -0.661  -1.887
  666    HG   LEU  34           HG       LEU  34 -17.721  -0.584  -4.291
  667   1HD1  LEU  34          1HD1      LEU  34 -16.423  -1.439  -2.250
  668   2HD1  LEU  34          2HD1      LEU  34 -17.512  -2.825  -2.312
  669   3HD1  LEU  34          3HD1      LEU  34 -16.474  -2.456  -3.690
  670   1HD2  LEU  34          1HD2      LEU  34 -20.066  -1.350  -4.406
  671   2HD2  LEU  34          2HD2      LEU  34 -18.911  -2.615  -4.830
  672   3HD2  LEU  34          3HD2      LEU  34 -19.683  -2.621  -3.243
  673    H    LYS  35           H        LYS  35 -18.075   2.963  -1.596
  674    HA   LYS  35           HA       LYS  35 -20.151   3.184   0.406
  675   1HB   LYS  35          1HB       LYS  35 -17.649   3.332   0.867
  676   2HB   LYS  35          2HB       LYS  35 -17.704   4.927   0.129
  677   1HG   LYS  35          1HG       LYS  35 -19.729   4.544   2.189
  678   2HG   LYS  35          2HG       LYS  35 -18.077   4.375   2.784
  679   1HD   LYS  35          1HD       LYS  35 -18.159   6.616   2.960
  680   2HD   LYS  35          2HD       LYS  35 -17.848   6.584   1.223
  681   1HE   LYS  35          1HE       LYS  35 -19.951   7.227   0.699
  682   2HE   LYS  35          2HE       LYS  35 -20.671   6.326   2.032
  683   1HZ   LYS  35          1HZ       LYS  35 -19.056   8.616   2.787
  684   2HZ   LYS  35          2HZ       LYS  35 -20.496   8.977   1.973
  685   3HZ   LYS  35          3HZ       LYS  35 -20.536   8.082   3.408
  686    H    GLN  36           H        GLN  36 -19.058   4.881  -2.432
  687    HA   GLN  36           HA       GLN  36 -20.674   7.223  -1.863
  688   1HB   GLN  36          1HB       GLN  36 -18.573   7.585  -2.998
  689   2HB   GLN  36          2HB       GLN  36 -19.007   6.438  -4.259
  690   1HG   GLN  36          1HG       GLN  36 -19.215   8.761  -4.995
  691   2HG   GLN  36          2HG       GLN  36 -20.754   7.904  -5.047
  692   2HE2  GLN  36          2HE2      GLN  36 -19.367  10.745  -4.270
  693   1HE2  GLN  36          1HE2      GLN  36 -20.496  11.325  -3.097
  694    H    SER  37           H        SER  37 -20.841   4.290  -3.739
  695    HA   SER  37           HA       SER  37 -23.205   5.138  -5.184
  696   1HB   SER  37          1HB       SER  37 -21.692   2.521  -5.095
  697   2HB   SER  37          2HB       SER  37 -23.149   2.767  -6.057
  698    HG   SER  37           HG       SER  37 -21.020   4.573  -6.317
  699    H    GLU  38           H        GLU  38 -22.401   3.404  -2.296
  700    HA   GLU  38           HA       GLU  38 -25.048   2.239  -2.037
  701   1HB   GLU  38          1HB       GLU  38 -23.002   1.031  -1.278
  702   2HB   GLU  38          2HB       GLU  38 -22.773   2.264  -0.046
  703   1HG   GLU  38          1HG       GLU  38 -25.441   1.200   0.072
  704   2HG   GLU  38          2HG       GLU  38 -24.246  -0.092   0.161
  705    H    ASP  39           H        ASP  39 -23.315   5.054  -1.015
  706    HA   ASP  39           HA       ASP  39 -25.221   5.692   1.084
  707   1HB   ASP  39          1HB       ASP  39 -22.906   6.252   1.506
  708   2HB   ASP  39          2HB       ASP  39 -22.815   7.182   0.014
  709    H    ASP  40           H        ASP  40 -24.644   6.412  -2.251
  710    HA   ASP  40           HA       ASP  40 -27.057   8.060  -2.287
  711   1HB   ASP  40          1HB       ASP  40 -24.852   9.448  -2.198
  712   2HB   ASP  40          2HB       ASP  40 -24.680   8.961  -3.881
  713    H    ASP  41           H        ASP  41 -27.165   5.535  -3.059
  714    HA   ASP  41           HA       ASP  41 -26.459   5.063  -5.775
  715   1HB   ASP  41          1HB       ASP  41 -27.205   3.455  -3.726
  716   2HB   ASP  41          2HB       ASP  41 -28.713   3.526  -4.631

  No H/Q in entry =         716
  Start of MODEL   19
    1    H1   ALA   1           H1       ALA   1 -25.889   5.262   6.797
    2    H2   ALA   1           H2       ALA   1 -25.568   6.038   8.294
    3    H3   ALA   1           H3       ALA   1 -25.699   4.331   8.226
    4    HA   ALA   1           HA       ALA   1 -27.669   5.084   9.123
    5   1HB   ALA   1          1HB       ALA   1 -28.697   7.021   8.609
    6   2HB   ALA   1          2HB       ALA   1 -27.127   7.436   7.921
    7   3HB   ALA   1          3HB       ALA   1 -28.416   6.836   6.878
    8    H    LEU   2           H        LEU   2 -29.015   3.450   8.818
    9    HA   LEU   2           HA       LEU   2 -30.237   1.802   7.832
   10   1HB   LEU   2          1HB       LEU   2 -30.483   3.694   5.499
   11   2HB   LEU   2          2HB       LEU   2 -31.589   2.411   5.952
   12    HG   LEU   2           HG       LEU   2 -32.659   4.393   6.609
   13   1HD1  LEU   2          1HD1      LEU   2 -32.214   2.495   8.400
   14   2HD1  LEU   2          2HD1      LEU   2 -31.383   3.814   9.225
   15   3HD1  LEU   2          3HD1      LEU   2 -33.089   3.973   8.805
   16   1HD2  LEU   2          1HD2      LEU   2 -30.390   5.667   6.460
   17   2HD2  LEU   2          2HD2      LEU   2 -31.675   6.275   7.503
   18   3HD2  LEU   2          3HD2      LEU   2 -30.328   5.371   8.198
   19    H    LYS   3           H        LYS   3 -30.389   0.334   5.892
   20    HA   LYS   3           HA       LYS   3 -29.323  -1.177   4.560
   21   1HB   LYS   3          1HB       LYS   3 -29.352   1.157   3.251
   22   2HB   LYS   3          2HB       LYS   3 -27.611   0.939   3.369
   23   1HG   LYS   3          1HG       LYS   3 -27.587  -0.747   1.883
   24   2HG   LYS   3          2HG       LYS   3 -29.115  -1.416   2.457
   25   1HD   LYS   3          1HD       LYS   3 -29.286  -0.564   0.157
   26   2HD   LYS   3          2HD       LYS   3 -30.346   0.307   1.268
   27   1HE   LYS   3          1HE       LYS   3 -28.306   1.932   1.466
   28   2HE   LYS   3          2HE       LYS   3 -27.840   1.216  -0.077
   29   1HZ   LYS   3          1HZ       LYS   3 -30.326   1.763  -0.647
   30   2HZ   LYS   3          2HZ       LYS   3 -30.126   2.927   0.564
   31   3HZ   LYS   3          3HZ       LYS   3 -29.118   2.938  -0.794
   32    H    LYS   4           H        LYS   4 -28.087  -2.448   5.848
   33    HA   LYS   4           HA       LYS   4 -25.376  -1.517   6.499
   34   1HB   LYS   4          1HB       LYS   4 -25.502  -3.618   8.052
   35   2HB   LYS   4          2HB       LYS   4 -26.303  -2.125   8.524
   36   1HG   LYS   4          1HG       LYS   4 -28.428  -3.004   7.685
   37   2HG   LYS   4          2HG       LYS   4 -27.620  -4.506   7.233
   38   1HD   LYS   4          1HD       LYS   4 -28.366  -5.150   9.278
   39   2HD   LYS   4          2HD       LYS   4 -26.870  -4.372   9.798
   40   1HE   LYS   4          1HE       LYS   4 -28.924  -3.736  11.100
   41   2HE   LYS   4          2HE       LYS   4 -28.015  -2.388  10.417
   42   1HZ   LYS   4          1HZ       LYS   4 -30.275  -3.550   8.927
   43   2HZ   LYS   4          2HZ       LYS   4 -30.567  -2.444  10.173
   44   3HZ   LYS   4          3HZ       LYS   4 -29.631  -1.987   8.842
   45    H    HIS   5           H        HIS   5 -26.388  -2.725   3.925
   46    HA   HIS   5           HA       HIS   5 -24.930  -5.247   3.830
   47   1HB   HIS   5          1HB       HIS   5 -26.249  -3.923   1.473
   48   2HB   HIS   5          2HB       HIS   5 -25.959  -5.637   1.754
   49    HD1  HIS   5           HD1      HIS   5 -27.950  -6.909   2.475
   50    HD2  HIS   5           HD2      HIS   5 -28.266  -2.877   3.430
   51    HE1  HIS   5           HE1      HIS   5 -30.242  -6.632   3.474
   52    HE2  HIS   5           HE2      HIS   5 -30.412  -4.184   4.046
   53    H    HIS   6           H        HIS   6 -24.999  -2.264   1.870
   54    HA   HIS   6           HA       HIS   6 -22.527  -2.750   0.615
   55   1HB   HIS   6          1HB       HIS   6 -22.694  -0.553  -0.272
   56   2HB   HIS   6          2HB       HIS   6 -24.344  -1.151  -0.150
   57    HD1  HIS   6           HD1      HIS   6 -25.001  -0.508   2.747
   58    HD2  HIS   6           HD2      HIS   6 -22.967   2.096   0.228
   59    HE1  HIS   6           HE1      HIS   6 -25.353   1.783   3.721
   60    HE2  HIS   6           HE2      HIS   6 -24.114   3.345   2.181
   61    H    GLU   7           H        GLU   7 -23.392  -1.176   3.619
   62    HA   GLU   7           HA       GLU   7 -20.902   0.059   4.130
   63   1HB   GLU   7          1HB       GLU   7 -23.391  -0.438   5.579
   64   2HB   GLU   7          2HB       GLU   7 -21.974  -0.511   6.615
   65   1HG   GLU   7          1HG       GLU   7 -21.957   1.772   4.808
   66   2HG   GLU   7          2HG       GLU   7 -23.336   1.755   5.907
   67    H    ASN   8           H        ASN   8 -22.109  -3.175   4.487
   68    HA   ASN   8           HA       ASN   8 -20.148  -4.123   6.314
   69   1HB   ASN   8          1HB       ASN   8 -22.301  -5.266   4.685
   70   2HB   ASN   8          2HB       ASN   8 -20.907  -6.332   4.841
   71   2HD2  ASN   8          2HD2      ASN   8 -23.623  -6.545   5.931
   72   1HD2  ASN   8          1HD2      ASN   8 -23.429  -6.707   7.640
   73    H    GLU   9           H        GLU   9 -20.521  -4.650   2.803
   74    HA   GLU   9           HA       GLU   9 -17.927  -5.726   2.447
   75   1HB   GLU   9          1HB       GLU   9 -19.636  -6.152   0.801
   76   2HB   GLU   9          2HB       GLU   9 -19.839  -4.432   0.496
   77   1HG   GLU   9          1HG       GLU   9 -18.182  -4.396  -0.981
   78   2HG   GLU   9          2HG       GLU   9 -17.106  -5.303   0.081
   79    H    ILE  10           H        ILE  10 -19.053  -2.542   2.918
   80    HA   ILE  10           HA       ILE  10 -16.866  -1.205   1.607
   81    HB   ILE  10           HB       ILE  10 -19.298  -0.390   3.129
   82   1HG1  ILE  10          1HG1      ILE  10 -18.021   0.587   0.575
   83   2HG1  ILE  10          2HG1      ILE  10 -19.327  -0.589   0.693
   84   1HG2  ILE  10          1HG2      ILE  10 -16.798   1.127   3.281
   85   2HG2  ILE  10          2HG2      ILE  10 -18.186   2.053   2.714
   86   3HG2  ILE  10          3HG2      ILE  10 -18.257   1.223   4.268
   87   1HD1  ILE  10          1HD1      ILE  10 -19.602   2.184   1.790
   88   2HD1  ILE  10          2HD1      ILE  10 -19.939   1.806   0.101
   89   3HD1  ILE  10          3HD1      ILE  10 -20.866   1.026   1.382
   90    H    SER  11           H        SER  11 -17.655  -2.393   4.788
   91    HA   SER  11           HA       SER  11 -15.611  -0.948   6.171
   92   1HB   SER  11          1HB       SER  11 -17.746  -2.046   7.152
   93   2HB   SER  11          2HB       SER  11 -16.807  -3.538   7.137
   94    HG   SER  11           HG       SER  11 -15.177  -2.042   8.271
   95    H    HIS  12           H        HIS  12 -15.883  -4.085   4.619
   96    HA   HIS  12           HA       HIS  12 -13.393  -5.088   5.554
   97   1HB   HIS  12          1HB       HIS  12 -14.483  -6.921   4.833
   98   2HB   HIS  12          2HB       HIS  12 -15.565  -5.974   3.827
   99    HD1  HIS  12           HD1      HIS  12 -12.387  -7.950   3.703
  100    HD2  HIS  12           HD2      HIS  12 -14.889  -5.863   1.129
  101    HE1  HIS  12           HE1      HIS  12 -11.643  -8.585   1.386
  102    HE2  HIS  12           HE2      HIS  12 -13.171  -7.310  -0.160
  103    H    HIS  13           H        HIS  13 -14.420  -3.573   2.485
  104    HA   HIS  13           HA       HIS  13 -11.919  -3.648   1.224
  105   1HB   HIS  13          1HB       HIS  13 -14.103  -1.577   0.927
  106   2HB   HIS  13          2HB       HIS  13 -12.752  -1.800  -0.176
  107    HD1  HIS  13           HD1      HIS  13 -13.027  -5.016  -0.108
  108    HD2  HIS  13           HD2      HIS  13 -15.972  -2.227  -0.992
  109    HE1  HIS  13           HE1      HIS  13 -14.710  -6.245  -1.519
  110    HE2  HIS  13           HE2      HIS  13 -16.489  -4.538  -2.043
  111    H    ALA  14           H        ALA  14 -13.272  -1.456   3.599
  112    HA   ALA  14           HA       ALA  14 -11.389   0.623   3.350
  113   1HB   ALA  14          1HB       ALA  14 -13.556  -0.045   5.098
  114   2HB   ALA  14          2HB       ALA  14 -12.820   1.528   4.793
  115   3HB   ALA  14          3HB       ALA  14 -12.170   0.481   6.054
  116    H    LYS  15           H        LYS  15 -11.469  -2.255   5.417
  117    HA   LYS  15           HA       LYS  15  -8.980  -1.693   6.681
  118   1HB   LYS  15          1HB       LYS  15  -9.128  -3.920   7.593
  119   2HB   LYS  15          2HB       LYS  15 -10.726  -3.187   7.643
  120   1HG   LYS  15          1HG       LYS  15 -11.597  -4.648   6.156
  121   2HG   LYS  15          2HG       LYS  15 -10.090  -4.794   5.249
  122   1HD   LYS  15          1HD       LYS  15  -9.393  -6.555   6.461
  123   2HD   LYS  15          2HD       LYS  15  -9.967  -5.859   7.977
  124   1HE   LYS  15          1HE       LYS  15 -12.318  -6.431   7.099
  125   2HE   LYS  15          2HE       LYS  15 -11.478  -7.475   5.953
  126   1HZ   LYS  15          1HZ       LYS  15 -10.376  -8.502   7.945
  127   2HZ   LYS  15          2HZ       LYS  15 -11.479  -7.659   8.910
  128   3HZ   LYS  15          3HZ       LYS  15 -12.034  -8.806   7.796
  129    H    GLU  16           H        GLU  16  -9.830  -2.870   3.591
  130    HA   GLU  16           HA       GLU  16  -7.467  -4.439   3.157
  131   1HB   GLU  16          1HB       GLU  16  -9.935  -3.954   1.792
  132   2HB   GLU  16          2HB       GLU  16  -8.606  -3.657   0.680
  133   1HG   GLU  16          1HG       GLU  16  -8.002  -5.826   0.603
  134   2HG   GLU  16          2HG       GLU  16  -8.419  -6.116   2.291
  135    H    ILE  17           H        ILE  17  -8.549  -1.172   2.192
  136    HA   ILE  17           HA       ILE  17  -6.107  -0.646   0.760
  137    HB   ILE  17           HB       ILE  17  -8.127   0.498   0.074
  138   1HG1  ILE  17          1HG1      ILE  17  -6.014   2.294   1.272
  139   2HG1  ILE  17          2HG1      ILE  17  -6.129   1.724  -0.389
  140   1HG2  ILE  17          1HG2      ILE  17  -8.620   0.730   2.800
  141   2HG2  ILE  17          2HG2      ILE  17  -8.393   2.385   2.236
  142   3HG2  ILE  17          3HG2      ILE  17  -9.612   1.355   1.482
  143   1HD1  ILE  17          1HD1      ILE  17  -8.386   3.028  -0.373
  144   2HD1  ILE  17          2HD1      ILE  17  -7.651   3.879   0.986
  145   3HD1  ILE  17          3HD1      ILE  17  -6.859   3.884  -0.591
  146    H    GLU  18           H        GLU  18  -7.291  -0.165   4.005
  147    HA   GLU  18           HA       GLU  18  -5.161   1.618   4.767
  148   1HB   GLU  18          1HB       GLU  18  -7.301   1.802   5.893
  149   2HB   GLU  18          2HB       GLU  18  -7.217   0.122   6.401
  150   1HG   GLU  18          1HG       GLU  18  -4.980   1.855   7.231
  151   2HG   GLU  18          2HG       GLU  18  -6.547   2.175   7.973
  152    H    ARG  19           H        ARG  19  -5.802  -1.819   4.866
  153    HA   ARG  19           HA       ARG  19  -3.650  -2.444   6.647
  154   1HB   ARG  19          1HB       ARG  19  -5.506  -3.972   6.501
  155   2HB   ARG  19          2HB       ARG  19  -5.279  -4.157   4.767
  156   1HG   ARG  19          1HG       ARG  19  -3.427  -5.507   5.015
  157   2HG   ARG  19          2HG       ARG  19  -3.076  -4.902   6.635
  158   1HD   ARG  19          1HD       ARG  19  -4.985  -6.082   7.530
  159   2HD   ARG  19          2HD       ARG  19  -5.459  -6.603   5.914
  160    HE   ARG  19           HE       ARG  19  -3.396  -7.739   7.573
  161   1HH1  ARG  19          1HH1      ARG  19  -4.607  -7.365   4.329
  162   2HH1  ARG  19          2HH1      ARG  19  -3.823  -8.791   3.733
  163   1HH2  ARG  19          1HH2      ARG  19  -2.359  -9.617   6.800
  164   2HH2  ARG  19          2HH2      ARG  19  -2.545 -10.072   5.138
  165    H    LEU  20           H        LEU  20  -4.079  -2.399   3.134
  166    HA   LEU  20           HA       LEU  20  -1.524  -3.514   2.563
  167   1HB   LEU  20          1HB       LEU  20  -3.268  -1.772   0.819
  168   2HB   LEU  20          2HB       LEU  20  -1.920  -2.752   0.276
  169    HG   LEU  20           HG       LEU  20  -4.173  -4.108   1.681
  170   1HD1  LEU  20          1HD1      LEU  20  -4.871  -2.426  -0.278
  171   2HD1  LEU  20          2HD1      LEU  20  -4.414  -3.825  -1.250
  172   3HD1  LEU  20          3HD1      LEU  20  -5.663  -3.979  -0.015
  173   1HD2  LEU  20          1HD2      LEU  20  -1.882  -4.806   0.057
  174   2HD2  LEU  20          2HD2      LEU  20  -2.876  -5.820   1.101
  175   3HD2  LEU  20          3HD2      LEU  20  -3.369  -5.520  -0.565
  176    H    GLN  21           H        GLN  21  -2.772  -0.268   3.028
  177    HA   GLN  21           HA       GLN  21  -0.536   1.165   2.107
  178   1HB   GLN  21          1HB       GLN  21  -2.814   1.765   3.948
  179   2HB   GLN  21          2HB       GLN  21  -1.461   2.886   3.884
  180   1HG   GLN  21          1HG       GLN  21  -2.594   2.044   1.293
  181   2HG   GLN  21          2HG       GLN  21  -3.608   3.071   2.305
  182   2HE2  GLN  21          2HE2      GLN  21  -0.097   3.089   2.095
  183   1HE2  GLN  21          1HE2      GLN  21   0.041   4.686   1.450
  184    H    LYS  22           H        LYS  22  -1.361  -0.111   5.312
  185    HA   LYS  22           HA       LYS  22   0.815   0.991   6.705
  186   1HB   LYS  22          1HB       LYS  22  -1.140  -0.018   7.814
  187   2HB   LYS  22          2HB       LYS  22  -0.646  -1.604   7.237
  188   1HG   LYS  22          1HG       LYS  22   1.593  -0.930   8.503
  189   2HG   LYS  22          2HG       LYS  22   0.454   0.049   9.429
  190   1HD   LYS  22          1HD       LYS  22   0.665  -2.067  10.524
  191   2HD   LYS  22          2HD       LYS  22  -0.925  -2.007   9.762
  192   1HE   LYS  22          1HE       LYS  22  -0.218  -3.415   7.985
  193   2HE   LYS  22          2HE       LYS  22   1.474  -3.276   8.460
  194   1HZ   LYS  22          1HZ       LYS  22   0.252  -4.260  10.682
  195   2HZ   LYS  22          2HZ       LYS  22  -0.546  -5.062   9.424
  196   3HZ   LYS  22          3HZ       LYS  22   1.136  -5.164   9.558
  197    H    GLU  23           H        GLU  23   0.443  -2.110   5.030
  198    HA   GLU  23           HA       GLU  23   2.916  -3.224   5.688
  199   1HB   GLU  23          1HB       GLU  23   0.742  -3.881   4.019
  200   2HB   GLU  23          2HB       GLU  23   2.172  -3.922   2.996
  201   1HG   GLU  23          1HG       GLU  23   3.245  -5.467   4.546
  202   2HG   GLU  23          2HG       GLU  23   1.822  -5.418   5.585
  203    H    ILE  24           H        ILE  24   2.009  -1.064   3.030
  204    HA   ILE  24           HA       ILE  24   4.510  -1.152   1.719
  205    HB   ILE  24           HB       ILE  24   3.730   0.439   0.267
  206   1HG1  ILE  24          1HG1      ILE  24   1.696   1.985   1.272
  207   2HG1  ILE  24          2HG1      ILE  24   2.749   1.816   2.673
  208   1HG2  ILE  24          1HG2      ILE  24   1.904  -1.421   1.057
  209   2HG2  ILE  24          2HG2      ILE  24   0.970   0.070   1.129
  210   3HG2  ILE  24          3HG2      ILE  24   1.768  -0.397  -0.370
  211   1HD1  ILE  24          1HD1      ILE  24   4.307   2.396   0.342
  212   2HD1  ILE  24          2HD1      ILE  24   3.019   3.588   0.532
  213   3HD1  ILE  24          3HD1      ILE  24   4.159   3.305   1.848
  214    H    GLU  25           H        GLU  25   3.300   0.654   4.431
  215    HA   GLU  25           HA       GLU  25   5.245   2.686   4.527
  216   1HB   GLU  25          1HB       GLU  25   3.149   2.709   5.848
  217   2HB   GLU  25          2HB       GLU  25   3.769   1.387   6.828
  218   1HG   GLU  25          1HG       GLU  25   5.777   3.155   7.098
  219   2HG   GLU  25          2HG       GLU  25   4.416   4.255   6.883
  220    H    ARG  26           H        ARG  26   5.104  -0.539   5.994
  221    HA   ARG  26           HA       ARG  26   7.494  -0.430   7.437
  222   1HB   ARG  26          1HB       ARG  26   5.554  -2.309   7.074
  223   2HB   ARG  26          2HB       ARG  26   6.878  -3.018   6.160
  224   1HG   ARG  26          1HG       ARG  26   8.182  -2.337   8.411
  225   2HG   ARG  26          2HG       ARG  26   6.569  -2.636   9.061
  226   1HD   ARG  26          1HD       ARG  26   7.837  -4.594   7.188
  227   2HD   ARG  26          2HD       ARG  26   8.264  -4.594   8.899
  228    HE   ARG  26           HE       ARG  26   5.474  -4.616   8.680
  229   1HH1  ARG  26          1HH1      ARG  26   8.207  -6.668   8.015
  230   2HH1  ARG  26          2HH1      ARG  26   7.321  -8.141   8.238
  231   1HH2  ARG  26          1HH2      ARG  26   4.297  -6.549   8.977
  232   2HH2  ARG  26          2HH2      ARG  26   5.098  -8.072   8.784
  233    H    HIS  27           H        HIS  27   6.888  -1.613   4.131
  234    HA   HIS  27           HA       HIS  27   9.599  -2.169   3.546
  235   1HB   HIS  27          1HB       HIS  27   7.067  -1.978   2.025
  236   2HB   HIS  27          2HB       HIS  27   8.538  -1.713   1.093
  237    HD1  HIS  27           HD1      HIS  27  10.438  -3.762   1.993
  238    HD2  HIS  27           HD2      HIS  27   6.369  -4.561   1.728
  239    HE1  HIS  27           HE1      HIS  27  10.255  -6.264   1.809
  240    HE2  HIS  27           HE2      HIS  27   7.784  -6.725   1.650
  241    H    LYS  28           H        LYS  28   7.809   0.758   3.714
  242    HA   LYS  28           HA       LYS  28   9.515   2.269   1.961
  243   1HB   LYS  28          1HB       LYS  28   7.151   2.877   2.281
  244   2HB   LYS  28          2HB       LYS  28   7.464   3.196   3.980
  245   1HG   LYS  28          1HG       LYS  28   9.130   4.933   3.218
  246   2HG   LYS  28          2HG       LYS  28   8.469   4.721   1.596
  247   1HD   LYS  28          1HD       LYS  28   6.952   6.261   2.151
  248   2HD   LYS  28          2HD       LYS  28   6.227   5.031   3.188
  249   1HE   LYS  28          1HE       LYS  28   6.983   5.996   5.079
  250   2HE   LYS  28          2HE       LYS  28   8.519   6.461   4.350
  251   1HZ   LYS  28          1HZ       LYS  28   7.372   8.287   3.231
  252   2HZ   LYS  28          2HZ       LYS  28   5.920   7.851   3.981
  253   3HZ   LYS  28          3HZ       LYS  28   7.220   8.402   4.913
  254    H    GLN  29           H        GLN  29   9.417   1.441   5.323
  255    HA   GLN  29           HA       GLN  29  11.191   3.524   6.189
  256   1HB   GLN  29          1HB       GLN  29   9.500   2.312   7.644
  257   2HB   GLN  29          2HB       GLN  29  10.594   0.936   7.623
  258   1HG   GLN  29          1HG       GLN  29  12.346   2.676   8.455
  259   2HG   GLN  29          2HG       GLN  29  10.917   3.596   8.927
  260   2HE2  GLN  29          2HE2      GLN  29   9.940   3.107  10.779
  261   1HE2  GLN  29          1HE2      GLN  29  10.300   1.735  11.766
  262    H    SER  30           H        SER  30  11.483   0.138   5.260
  263    HA   SER  30           HA       SER  30  14.247  -0.083   5.940
  264   1HB   SER  30          1HB       SER  30  12.283  -1.885   5.328
  265   2HB   SER  30          2HB       SER  30  13.235  -1.887   3.843
  266    HG   SER  30           HG       SER  30  13.816  -3.318   5.790
  267    H    ILE  31           H        ILE  31  12.470   0.602   2.956
  268    HA   ILE  31           HA       ILE  31  14.833   0.698   1.331
  269    HB   ILE  31           HB       ILE  31  12.691   0.110   0.342
  270   1HG1  ILE  31          1HG1      ILE  31  12.651   1.944  -1.492
  271   2HG1  ILE  31          2HG1      ILE  31  14.026   2.622  -0.625
  272   1HG2  ILE  31          1HG2      ILE  31  11.614   2.020   1.932
  273   2HG2  ILE  31          2HG2      ILE  31  11.604   2.836   0.369
  274   3HG2  ILE  31          3HG2      ILE  31  10.789   1.284   0.559
  275   1HD1  ILE  31          1HD1      ILE  31  15.071   0.306  -0.843
  276   2HD1  ILE  31          2HD1      ILE  31  13.809  -0.005  -2.036
  277   3HD1  ILE  31          3HD1      ILE  31  14.965   1.302  -2.296
  278    H    LYS  32           H        LYS  32  13.034   2.950   3.260
  279    HA   LYS  32           HA       LYS  32  14.212   5.295   2.061
  280   1HB   LYS  32          1HB       LYS  32  11.991   5.478   3.008
  281   2HB   LYS  32          2HB       LYS  32  12.571   4.919   4.572
  282   1HG   LYS  32          1HG       LYS  32  13.939   6.934   4.786
  283   2HG   LYS  32          2HG       LYS  32  13.349   7.495   3.220
  284   1HD   LYS  32          1HD       LYS  32  12.167   8.520   5.149
  285   2HD   LYS  32          2HD       LYS  32  11.099   7.636   4.058
  286   1HE   LYS  32          1HE       LYS  32  10.959   5.795   5.555
  287   2HE   LYS  32          2HE       LYS  32  12.262   6.430   6.558
  288   1HZ   LYS  32          1HZ       LYS  32   9.590   7.680   6.205
  289   2HZ   LYS  32          2HZ       LYS  32  10.097   6.807   7.564
  290   3HZ   LYS  32          3HZ       LYS  32  10.837   8.279   7.178
  291    H    LYS  33           H        LYS  33  14.944   3.093   4.626
  292    HA   LYS  33           HA       LYS  33  16.771   4.826   6.003
  293   1HB   LYS  33          1HB       LYS  33  16.004   1.943   6.199
  294   2HB   LYS  33          2HB       LYS  33  17.490   2.482   6.969
  295   1HG   LYS  33          1HG       LYS  33  16.322   3.975   8.387
  296   2HG   LYS  33          2HG       LYS  33  14.826   3.776   7.473
  297   1HD   LYS  33          1HD       LYS  33  14.251   1.986   8.669
  298   2HD   LYS  33          2HD       LYS  33  15.822   1.230   8.399
  299   1HE   LYS  33          1HE       LYS  33  15.409   3.410  10.427
  300   2HE   LYS  33          2HE       LYS  33  15.165   1.706  10.812
  301   1HZ   LYS  33          1HZ       LYS  33  17.679   2.389   9.520
  302   2HZ   LYS  33          2HZ       LYS  33  17.487   2.940  11.108
  303   3HZ   LYS  33          3HZ       LYS  33  17.365   1.288  10.764
  304    H    LEU  34           H        LEU  34  17.043   2.194   3.646
  305    HA   LEU  34           HA       LEU  34  19.908   2.242   3.633
  306   1HB   LEU  34          1HB       LEU  34  17.986   0.479   2.754
  307   2HB   LEU  34          2HB       LEU  34  18.609   1.141   1.256
  308    HG   LEU  34           HG       LEU  34  20.207  -0.262   3.398
  309   1HD1  LEU  34          1HD1      LEU  34  18.786  -1.176   1.086
  310   2HD1  LEU  34          2HD1      LEU  34  20.516  -1.447   0.872
  311   3HD1  LEU  34          3HD1      LEU  34  19.688  -2.106   2.283
  312   1HD2  LEU  34          1HD2      LEU  34  21.325   1.696   2.180
  313   2HD2  LEU  34          2HD2      LEU  34  22.155   0.140   2.172
  314   3HD2  LEU  34          3HD2      LEU  34  21.260   0.669   0.747
  315    H    LYS  35           H        LYS  35  17.361   3.784   1.801
  316    HA   LYS  35           HA       LYS  35  19.156   4.803  -0.218
  317   1HB   LYS  35          1HB       LYS  35  16.837   4.297  -0.799
  318   2HB   LYS  35          2HB       LYS  35  16.267   5.460   0.388
  319   1HG   LYS  35          1HG       LYS  35  17.671   7.160  -0.982
  320   2HG   LYS  35          2HG       LYS  35  17.572   5.939  -2.252
  321   1HD   LYS  35          1HD       LYS  35  15.678   7.077  -2.761
  322   2HD   LYS  35          2HD       LYS  35  14.997   6.013  -1.529
  323   1HE   LYS  35          1HE       LYS  35  15.936   8.066  -0.011
  324   2HE   LYS  35          2HE       LYS  35  15.455   8.912  -1.481
  325   1HZ   LYS  35          1HZ       LYS  35  13.714   7.096   0.099
  326   2HZ   LYS  35          2HZ       LYS  35  13.649   8.786   0.130
  327   3HZ   LYS  35          3HZ       LYS  35  13.257   7.950  -1.287
  328    H    GLN  36           H        GLN  36  17.896   5.824   2.841
  329    HA   GLN  36           HA       GLN  36  18.566   8.607   2.464
  330   1HB   GLN  36          1HB       GLN  36  16.686   8.046   3.890
  331   2HB   GLN  36          2HB       GLN  36  17.717   7.056   4.915
  332   1HG   GLN  36          1HG       GLN  36  18.765   8.899   5.856
  333   2HG   GLN  36          2HG       GLN  36  18.284   9.967   4.540
  334   2HE2  GLN  36          2HE2      GLN  36  16.210   7.697   6.230
  335   1HE2  GLN  36          1HE2      GLN  36  15.182   8.883   6.953
  336    H    SER  37           H        SER  37  20.094   5.745   3.674
  337    HA   SER  37           HA       SER  37  22.142   7.124   5.148
  338   1HB   SER  37          1HB       SER  37  21.392   4.331   4.616
  339   2HB   SER  37          2HB       SER  37  23.132   4.600   4.727
  340    HG   SER  37           HG       SER  37  21.454   5.733   6.665
  341    H    GLU  38           H        GLU  38  21.672   6.042   1.890
  342    HA   GLU  38           HA       GLU  38  24.473   6.225   1.189
  343   1HB   GLU  38          1HB       GLU  38  23.091   4.571   0.064
  344   2HB   GLU  38          2HB       GLU  38  22.005   5.828  -0.509
  345   1HG   GLU  38          1HG       GLU  38  24.246   6.761  -1.566
  346   2HG   GLU  38          2HG       GLU  38  24.700   5.060  -1.469
  347    H    ASP  39           H        ASP  39  21.624   8.226   1.066
  348    HA   ASP  39           HA       ASP  39  22.893  10.203  -0.642
  349   1HB   ASP  39          1HB       ASP  39  20.360   9.535  -0.564
  350   2HB   ASP  39          2HB       ASP  39  20.299  10.663   0.787
  351    H    ASP  40           H        ASP  40  22.366   9.594   2.722
  352    HA   ASP  40           HA       ASP  40  22.579  12.188   3.754
  353   1HB   ASP  40          1HB       ASP  40  22.996   9.441   4.815
  354   2HB   ASP  40          2HB       ASP  40  23.685  10.772   5.741
  355    H    ASP  41           H        ASP  41  24.167  13.562   3.290
  356    HA   ASP  41           HA       ASP  41  26.926  12.541   3.193
  357   1HB   ASP  41          1HB       ASP  41  25.519  14.109   1.349
  358   2HB   ASP  41          2HB       ASP  41  26.614  15.228   2.155
  359    H1   ALA   1           H1       ALA   1  25.889   5.269  -6.792
  360    H2   ALA   1           H2       ALA   1  25.568   6.046  -8.288
  361    H3   ALA   1           H3       ALA   1  25.700   4.338  -8.222
  362    HA   ALA   1           HA       ALA   1  27.669   5.092  -9.118
  363   1HB   ALA   1          1HB       ALA   1  28.416   6.842  -6.871
  364   2HB   ALA   1          2HB       ALA   1  28.698   7.029  -8.602
  365   3HB   ALA   1          3HB       ALA   1  27.128   7.443  -7.914
  366    H    LEU   2           H        LEU   2  29.016   3.457  -8.815
  367    HA   LEU   2           HA       LEU   2  30.236   1.808  -7.831
  368   1HB   LEU   2          1HB       LEU   2  30.484   3.697  -5.496
  369   2HB   LEU   2          2HB       LEU   2  31.590   2.415  -5.952
  370    HG   LEU   2           HG       LEU   2  32.659   4.399  -6.606
  371   1HD1  LEU   2          1HD1      LEU   2  32.214   2.503  -8.398
  372   2HD1  LEU   2          2HD1      LEU   2  31.383   3.823  -9.222
  373   3HD1  LEU   2          3HD1      LEU   2  33.088   3.981  -8.802
  374   1HD2  LEU   2          1HD2      LEU   2  30.388   5.671  -6.455
  375   2HD2  LEU   2          2HD2      LEU   2  31.674   6.281  -7.497
  376   3HD2  LEU   2          3HD2      LEU   2  30.328   5.378  -8.193
  377    H    LYS   3           H        LYS   3  30.390   0.339  -5.892
  378    HA   LYS   3           HA       LYS   3  29.324  -1.174  -4.561
  379   1HB   LYS   3          1HB       LYS   3  29.352   1.158  -3.248
  380   2HB   LYS   3          2HB       LYS   3  27.611   0.943  -3.368
  381   1HG   LYS   3          1HG       LYS   3  27.585  -0.744  -1.884
  382   2HG   LYS   3          2HG       LYS   3  29.113  -1.416  -2.459
  383   1HD   LYS   3          1HD       LYS   3  29.284  -0.568  -0.158
  384   2HD   LYS   3          2HD       LYS   3  30.345   0.305  -1.265
  385   1HE   LYS   3          1HE       LYS   3  28.303   1.930  -1.461
  386   2HE   LYS   3          2HE       LYS   3  27.840   1.213   0.082
  387   1HZ   LYS   3          1HZ       LYS   3  30.326   1.760   0.649
  388   2HZ   LYS   3          2HZ       LYS   3  30.125   2.925  -0.561
  389   3HZ   LYS   3          3HZ       LYS   3  29.117   2.936   0.797
  390    H    LYS   4           H        LYS   4  28.088  -2.444  -5.850
  391    HA   LYS   4           HA       LYS   4  25.377  -1.513  -6.501
  392   1HB   LYS   4          1HB       LYS   4  25.504  -3.613  -8.056
  393   2HB   LYS   4          2HB       LYS   4  26.305  -2.120  -8.526
  394   1HG   LYS   4          1HG       LYS   4  28.430  -3.000  -7.686
  395   2HG   LYS   4          2HG       LYS   4  27.619  -4.503  -7.239
  396   1HD   LYS   4          1HD       LYS   4  28.369  -5.142  -9.283
  397   2HD   LYS   4          2HD       LYS   4  26.872  -4.365  -9.802
  398   1HE   LYS   4          1HE       LYS   4  28.924  -3.725 -11.103
  399   2HE   LYS   4          2HE       LYS   4  28.016  -2.378 -10.416
  400   1HZ   LYS   4          1HZ       LYS   4  30.276  -3.541  -8.929
  401   2HZ   LYS   4          2HZ       LYS   4  30.568  -2.435 -10.175
  402   3HZ   LYS   4          3HZ       LYS   4  29.631  -1.979  -8.843
  403    H    HIS   5           H        HIS   5  26.391  -2.724  -3.929
  404    HA   HIS   5           HA       HIS   5  24.932  -5.245  -3.834
  405   1HB   HIS   5          1HB       HIS   5  26.249  -3.920  -1.477
  406   2HB   HIS   5          2HB       HIS   5  25.958  -5.634  -1.756
  407    HD1  HIS   5           HD1      HIS   5  27.948  -6.908  -2.476
  408    HD2  HIS   5           HD2      HIS   5  28.269  -2.876  -3.434
  409    HE1  HIS   5           HE1      HIS   5  30.240  -6.633  -3.475
  410    HE2  HIS   5           HE2      HIS   5  30.413  -4.187  -4.046
  411    H    HIS   6           H        HIS   6  25.000  -2.265  -1.868
  412    HA   HIS   6           HA       HIS   6  22.525  -2.751  -0.619
  413   1HB   HIS   6          1HB       HIS   6  22.692  -0.552   0.267
  414   2HB   HIS   6          2HB       HIS   6  24.342  -1.150   0.150
  415    HD1  HIS   6           HD1      HIS   6  25.008  -0.507  -2.746
  416    HD2  HIS   6           HD2      HIS   6  22.962   2.095  -0.235
  417    HE1  HIS   6           HE1      HIS   6  25.358   1.783  -3.720
  418    HE2  HIS   6           HE2      HIS   6  24.113   3.344  -2.185
  419    H    GLU   7           H        GLU   7  23.397  -1.172  -3.619
  420    HA   GLU   7           HA       GLU   7  20.908   0.062  -4.133
  421   1HB   GLU   7          1HB       GLU   7  23.398  -0.436  -5.582
  422   2HB   GLU   7          2HB       GLU   7  21.981  -0.508  -6.620
  423   1HG   GLU   7          1HG       GLU   7  21.967   1.774  -4.811
  424   2HG   GLU   7          2HG       GLU   7  23.343   1.757  -5.913
  425    H    ASN   8           H        ASN   8  22.113  -3.173  -4.489
  426    HA   ASN   8           HA       ASN   8  20.151  -4.119  -6.319
  427   1HB   ASN   8          1HB       ASN   8  22.302  -5.264  -4.691
  428   2HB   ASN   8          2HB       ASN   8  20.908  -6.329  -4.846
  429   2HD2  ASN   8          2HD2      ASN   8  23.626  -6.541  -5.937
  430   1HD2  ASN   8          1HD2      ASN   8  23.429  -6.703  -7.646
  431    H    GLU   9           H        GLU   9  20.522  -4.658  -2.807
  432    HA   GLU   9           HA       GLU   9  17.929  -5.729  -2.453
  433   1HB   GLU   9          1HB       GLU   9  19.633  -6.159  -0.805
  434   2HB   GLU   9          2HB       GLU   9  19.842  -4.439  -0.502
  435   1HG   GLU   9          1HG       GLU   9  18.185  -4.398   0.976
  436   2HG   GLU   9          2HG       GLU   9  17.106  -5.302  -0.085
  437    H    ILE  10           H        ILE  10  19.052  -2.546  -2.923
  438    HA   ILE  10           HA       ILE  10  16.873  -1.205  -1.608
  439    HB   ILE  10           HB       ILE  10  19.298  -0.396  -3.143
  440   1HG1  ILE  10          1HG1      ILE  10  18.025   0.589  -0.589
  441   2HG1  ILE  10          2HG1      ILE  10  19.332  -0.585  -0.706
  442   1HG2  ILE  10          1HG2      ILE  10  17.464   0.893  -4.234
  443   2HG2  ILE  10          2HG2      ILE  10  17.102   1.605  -2.662
  444   3HG2  ILE  10          3HG2      ILE  10  18.671   1.883  -3.419
  445   1HD1  ILE  10          1HD1      ILE  10  19.599   2.187  -1.809
  446   2HD1  ILE  10          2HD1      ILE  10  19.941   1.812  -0.120
  447   3HD1  ILE  10          3HD1      ILE  10  20.868   1.031  -1.403
  448    H    SER  11           H        SER  11  17.657  -2.382  -4.796
  449    HA   SER  11           HA       SER  11  15.605  -0.950  -6.174
  450   1HB   SER  11          1HB       SER  11  17.639  -1.877  -7.295
  451   2HB   SER  11          2HB       SER  11  17.006  -3.500  -7.017
  452    HG   SER  11           HG       SER  11  15.386  -1.614  -8.312
  453    H    HIS  12           H        HIS  12  15.882  -4.090  -4.624
  454    HA   HIS  12           HA       HIS  12  13.390  -5.090  -5.553
  455   1HB   HIS  12          1HB       HIS  12  14.480  -6.923  -4.834
  456   2HB   HIS  12          2HB       HIS  12  15.563  -5.976  -3.829
  457    HD1  HIS  12           HD1      HIS  12  12.388  -7.955  -3.702
  458    HD2  HIS  12           HD2      HIS  12  14.889  -5.863  -1.131
  459    HE1  HIS  12           HE1      HIS  12  11.646  -8.588  -1.383
  460    HE2  HIS  12           HE2      HIS  12  13.173  -7.310   0.161
  461    H    HIS  13           H        HIS  13  14.420  -3.568  -2.488
  462    HA   HIS  13           HA       HIS  13  11.919  -3.646  -1.225
  463   1HB   HIS  13          1HB       HIS  13  14.103  -1.575  -0.927
  464   2HB   HIS  13          2HB       HIS  13  12.752  -1.799   0.175
  465    HD1  HIS  13           HD1      HIS  13  13.026  -5.014   0.106
  466    HD2  HIS  13           HD2      HIS  13  15.973  -2.228   0.989
  467    HE1  HIS  13           HE1      HIS  13  14.709  -6.246   1.516
  468    HE2  HIS  13           HE2      HIS  13  16.490  -4.539   2.038
  469    H    ALA  14           H        ALA  14  13.271  -1.453  -3.600
  470    HA   ALA  14           HA       ALA  14  11.389   0.627  -3.348
  471   1HB   ALA  14          1HB       ALA  14  13.557  -0.038  -5.095
  472   2HB   ALA  14          2HB       ALA  14  12.171   0.489  -6.051
  473   3HB   ALA  14          3HB       ALA  14  12.820   1.534  -4.787
  474    H    LYS  15           H        LYS  15  11.466  -2.251  -5.415
  475    HA   LYS  15           HA       LYS  15   8.979  -1.685  -6.682
  476   1HB   LYS  15          1HB       LYS  15   9.127  -3.911  -7.594
  477   2HB   LYS  15          2HB       LYS  15  10.724  -3.179  -7.645
  478   1HG   LYS  15          1HG       LYS  15  11.595  -4.641  -6.158
  479   2HG   LYS  15          2HG       LYS  15  10.090  -4.787  -5.251
  480   1HD   LYS  15          1HD       LYS  15   9.394  -6.548  -6.463
  481   2HD   LYS  15          2HD       LYS  15   9.965  -5.851  -7.979
  482   1HE   LYS  15          1HE       LYS  15  12.318  -6.422  -7.103
  483   2HE   LYS  15          2HE       LYS  15  11.479  -7.468  -5.958
  484   1HZ   LYS  15          1HZ       LYS  15  10.376  -8.493  -7.950
  485   2HZ   LYS  15          2HZ       LYS  15  11.479  -7.648  -8.915
  486   3HZ   LYS  15          3HZ       LYS  15  12.033  -8.797  -7.803
  487    H    GLU  16           H        GLU  16   9.831  -2.873  -3.594
  488    HA   GLU  16           HA       GLU  16   7.467  -4.438  -3.161
  489   1HB   GLU  16          1HB       GLU  16   9.934  -3.953  -1.795
  490   2HB   GLU  16          2HB       GLU  16   8.604  -3.657  -0.684
  491   1HG   GLU  16          1HG       GLU  16   8.003  -5.826  -0.608
  492   2HG   GLU  16          2HG       GLU  16   8.420  -6.115  -2.296
  493    H    ILE  17           H        ILE  17   8.549  -1.173  -2.188
  494    HA   ILE  17           HA       ILE  17   6.107  -0.649  -0.759
  495    HB   ILE  17           HB       ILE  17   8.124   0.498  -0.074
  496   1HG1  ILE  17          1HG1      ILE  17   6.012   2.293  -1.273
  497   2HG1  ILE  17          2HG1      ILE  17   6.126   1.722   0.389
  498   1HG2  ILE  17          1HG2      ILE  17   8.619   0.731  -2.800
  499   2HG2  ILE  17          2HG2      ILE  17   8.391   2.385  -2.237
  500   3HG2  ILE  17          3HG2      ILE  17   9.609   1.357  -1.482
  501   1HD1  ILE  17          1HD1      ILE  17   8.383   3.027   0.374
  502   2HD1  ILE  17          2HD1      ILE  17   7.646   3.878  -0.983
  503   3HD1  ILE  17          3HD1      ILE  17   6.854   3.880   0.592
  504    H    GLU  18           H        GLU  18   7.294  -0.153  -4.005
  505    HA   GLU  18           HA       GLU  18   5.161   1.623  -4.765
  506   1HB   GLU  18          1HB       GLU  18   7.299   1.807  -5.892
  507   2HB   GLU  18          2HB       GLU  18   7.215   0.126  -6.401
  508   1HG   GLU  18          1HG       GLU  18   4.977   1.860  -7.229
  509   2HG   GLU  18          2HG       GLU  18   6.543   2.183  -7.970
  510    H    ARG  19           H        ARG  19   5.797  -1.814  -4.855
  511    HA   ARG  19           HA       ARG  19   3.648  -2.440  -6.640
  512   1HB   ARG  19          1HB       ARG  19   5.507  -3.968  -6.489
  513   2HB   ARG  19          2HB       ARG  19   5.273  -4.154  -4.757
  514   1HG   ARG  19          1HG       ARG  19   3.425  -5.507  -5.015
  515   2HG   ARG  19          2HG       ARG  19   3.074  -4.895  -6.631
  516   1HD   ARG  19          1HD       ARG  19   4.983  -6.070  -7.533
  517   2HD   ARG  19          2HD       ARG  19   5.460  -6.596  -5.918
  518    HE   ARG  19           HE       ARG  19   3.399  -7.731  -7.580
  519   1HH1  ARG  19          1HH1      ARG  19   4.606  -7.362  -4.334
  520   2HH1  ARG  19          2HH1      ARG  19   3.822  -8.789  -3.741
  521   1HH2  ARG  19          1HH2      ARG  19   2.361  -9.611  -6.809
  522   2HH2  ARG  19          2HH2      ARG  19   2.546 -10.067  -5.149
  523    H    LEU  20           H        LEU  20   4.069  -2.397  -3.124
  524    HA   LEU  20           HA       LEU  20   1.505  -3.508  -2.573
  525   1HB   LEU  20          1HB       LEU  20   3.231  -1.789  -0.789
  526   2HB   LEU  20          2HB       LEU  20   1.897  -2.806  -0.279
  527    HG   LEU  20           HG       LEU  20   4.169  -4.101  -1.701
  528   1HD1  LEU  20          1HD1      LEU  20   4.862  -2.435   0.267
  529   2HD1  LEU  20          2HD1      LEU  20   4.415  -3.841   1.234
  530   3HD1  LEU  20          3HD1      LEU  20   5.663  -3.983  -0.004
  531   1HD2  LEU  20          1HD2      LEU  20   1.894  -4.851  -0.080
  532   2HD2  LEU  20          2HD2      LEU  20   2.903  -5.841  -1.134
  533   3HD2  LEU  20          3HD2      LEU  20   3.392  -5.549   0.536
  534    H    GLN  21           H        GLN  21   2.767  -0.275  -3.051
  535    HA   GLN  21           HA       GLN  21   0.540   1.167  -2.104
  536   1HB   GLN  21          1HB       GLN  21   2.823   1.765  -3.937
  537   2HB   GLN  21          2HB       GLN  21   1.473   2.889  -3.881
  538   1HG   GLN  21          1HG       GLN  21   2.594   2.045  -1.285
  539   2HG   GLN  21          2HG       GLN  21   3.612   3.073  -2.292
  540   2HE2  GLN  21          2HE2      GLN  21   0.101   3.089  -2.092
  541   1HE2  GLN  21          1HE2      GLN  21  -0.041   4.685  -1.448
  542    H    LYS  22           H        LYS  22   1.362  -0.101  -5.312
  543    HA   LYS  22           HA       LYS  22  -0.814   1.009  -6.701
  544   1HB   LYS  22          1HB       LYS  22   1.135   0.012  -7.822
  545   2HB   LYS  22          2HB       LYS  22   0.659  -1.577  -7.242
  546   1HG   LYS  22          1HG       LYS  22  -1.593  -0.922  -8.498
  547   2HG   LYS  22          2HG       LYS  22  -0.464   0.063  -9.432
  548   1HD   LYS  22          1HD       LYS  22  -0.659  -2.053 -10.525
  549   2HD   LYS  22          2HD       LYS  22   0.929  -1.993  -9.755
  550   1HE   LYS  22          1HE       LYS  22   0.218  -3.403  -7.984
  551   2HE   LYS  22          2HE       LYS  22  -1.474  -3.261  -8.461
  552   1HZ   LYS  22          1HZ       LYS  22  -0.252  -4.244 -10.683
  553   2HZ   LYS  22          2HZ       LYS  22   0.546  -5.047  -9.426
  554   3HZ   LYS  22          3HZ       LYS  22  -1.137  -5.150  -9.560
  555    H    GLU  23           H        GLU  23  -0.437  -2.092  -5.031
  556    HA   GLU  23           HA       GLU  23  -2.906  -3.213  -5.697
  557   1HB   GLU  23          1HB       GLU  23  -0.733  -3.870  -4.030
  558   2HB   GLU  23          2HB       GLU  23  -2.159  -3.908  -3.002
  559   1HG   GLU  23          1HG       GLU  23  -3.240  -5.454  -4.548
  560   2HG   GLU  23          2HG       GLU  23  -1.817  -5.410  -5.588
  561    H    ILE  24           H        ILE  24  -2.009  -1.064  -3.021
  562    HA   ILE  24           HA       ILE  24  -4.516  -1.161  -1.725
  563    HB   ILE  24           HB       ILE  24  -3.755   0.441  -0.272
  564   1HG1  ILE  24          1HG1      ILE  24  -1.697   1.969  -1.268
  565   2HG1  ILE  24          2HG1      ILE  24  -2.750   1.806  -2.670
  566   1HG2  ILE  24          1HG2      ILE  24  -1.874  -1.401  -1.112
  567   2HG2  ILE  24          2HG2      ILE  24  -0.981   0.115  -1.005
  568   3HG2  ILE  24          3HG2      ILE  24  -1.865  -0.489   0.392
  569   1HD1  ILE  24          1HD1      ILE  24  -4.310   2.399  -0.346
  570   2HD1  ILE  24          2HD1      ILE  24  -3.010   3.579  -0.528
  571   3HD1  ILE  24          3HD1      ILE  24  -4.147   3.308  -1.850
  572    H    GLU  25           H        GLU  25  -3.299   0.658  -4.425
  573    HA   GLU  25           HA       GLU  25  -5.245   2.686  -4.525
  574   1HB   GLU  25          1HB       GLU  25  -3.148   2.708  -5.846
  575   2HB   GLU  25          2HB       GLU  25  -3.770   1.388  -6.827
  576   1HG   GLU  25          1HG       GLU  25  -5.777   3.159  -7.095
  577   2HG   GLU  25          2HG       GLU  25  -4.416   4.257  -6.878
  578    H    ARG  26           H        ARG  26  -5.104  -0.536  -5.998
  579    HA   ARG  26           HA       ARG  26  -7.495  -0.426  -7.439
  580   1HB   ARG  26          1HB       ARG  26  -5.554  -2.304  -7.079
  581   2HB   ARG  26          2HB       ARG  26  -6.877  -3.016  -6.165
  582   1HG   ARG  26          1HG       ARG  26  -8.181  -2.332  -8.415
  583   2HG   ARG  26          2HG       ARG  26  -6.568  -2.630  -9.065
  584   1HD   ARG  26          1HD       ARG  26  -7.838  -4.591  -7.194
  585   2HD   ARG  26          2HD       ARG  26  -8.263  -4.589  -8.906
  586    HE   ARG  26           HE       ARG  26  -5.473  -4.611  -8.685
  587   1HH1  ARG  26          1HH1      ARG  26  -8.207  -6.664  -8.022
  588   2HH1  ARG  26          2HH1      ARG  26  -7.321  -8.136  -8.246
  589   1HH2  ARG  26          1HH2      ARG  26  -4.297  -6.543  -8.984
  590   2HH2  ARG  26          2HH2      ARG  26  -5.098  -8.067  -8.793
  591    H    HIS  27           H        HIS  27  -6.887  -1.608  -4.133
  592    HA   HIS  27           HA       HIS  27  -9.597  -2.167  -3.547
  593   1HB   HIS  27          1HB       HIS  27  -7.066  -1.980  -2.028
  594   2HB   HIS  27          2HB       HIS  27  -8.535  -1.715  -1.096
  595    HD1  HIS  27           HD1      HIS  27 -10.437  -3.760  -1.996
  596    HD2  HIS  27           HD2      HIS  27  -6.369  -4.566  -1.738
  597    HE1  HIS  27           HE1      HIS  27 -10.257  -6.262  -1.815
  598    HE2  HIS  27           HE2      HIS  27  -7.786  -6.728  -1.661
  599    H    LYS  28           H        LYS  28  -7.813   0.761  -3.722
  600    HA   LYS  28           HA       LYS  28  -9.516   2.269  -1.962
  601   1HB   LYS  28          1HB       LYS  28  -7.152   2.878  -2.280
  602   2HB   LYS  28          2HB       LYS  28  -7.465   3.198  -3.980
  603   1HG   LYS  28          1HG       LYS  28  -9.131   4.935  -3.219
  604   2HG   LYS  28          2HG       LYS  28  -8.472   4.722  -1.595
  605   1HD   LYS  28          1HD       LYS  28  -6.954   6.262  -2.147
  606   2HD   LYS  28          2HD       LYS  28  -6.229   5.032  -3.186
  607   1HE   LYS  28          1HE       LYS  28  -6.983   6.000  -5.077
  608   2HE   LYS  28          2HE       LYS  28  -8.519   6.465  -4.347
  609   1HZ   LYS  28          1HZ       LYS  28  -7.373   8.289  -3.225
  610   2HZ   LYS  28          2HZ       LYS  28  -5.921   7.854  -3.975
  611   3HZ   LYS  28          3HZ       LYS  28  -7.220   8.406  -4.907
  612    H    GLN  29           H        GLN  29  -9.418   1.443  -5.323
  613    HA   GLN  29           HA       GLN  29 -11.194   3.527  -6.187
  614   1HB   GLN  29          1HB       GLN  29  -9.500   2.318  -7.644
  615   2HB   GLN  29          2HB       GLN  29 -10.595   0.942  -7.625
  616   1HG   GLN  29          1HG       GLN  29 -12.346   2.682  -8.455
  617   2HG   GLN  29          2HG       GLN  29 -10.918   3.603  -8.925
  618   2HE2  GLN  29          2HE2      GLN  29  -9.940   3.115 -10.778
  619   1HE2  GLN  29          1HE2      GLN  29 -10.299   1.745 -11.766
  620    H    SER  30           H        SER  30 -11.484   0.141  -5.260
  621    HA   SER  30           HA       SER  30 -14.248  -0.080  -5.941
  622   1HB   SER  30          1HB       SER  30 -12.284  -1.882  -5.329
  623   2HB   SER  30          2HB       SER  30 -13.235  -1.885  -3.845
  624    HG   SER  30           HG       SER  30 -13.816  -3.314  -5.795
  625    H    ILE  31           H        ILE  31 -12.471   0.600  -2.956
  626    HA   ILE  31           HA       ILE  31 -14.833   0.697  -1.331
  627    HB   ILE  31           HB       ILE  31 -12.691   0.111  -0.341
  628   1HG1  ILE  31          1HG1      ILE  31 -12.652   1.943   1.493
  629   2HG1  ILE  31          2HG1      ILE  31 -14.028   2.621   0.627
  630   1HG2  ILE  31          1HG2      ILE  31 -11.613   2.019  -1.932
  631   2HG2  ILE  31          2HG2      ILE  31 -11.608   2.839  -0.370
  632   3HG2  ILE  31          3HG2      ILE  31 -10.789   1.287  -0.554
  633   1HD1  ILE  31          1HD1      ILE  31 -15.071   0.303   0.843
  634   2HD1  ILE  31          2HD1      ILE  31 -13.810  -0.007   2.036
  635   3HD1  ILE  31          3HD1      ILE  31 -14.965   1.298   2.296
  636    H    LYS  32           H        LYS  32 -13.034   2.951  -3.258
  637    HA   LYS  32           HA       LYS  32 -14.213   5.295  -2.059
  638   1HB   LYS  32          1HB       LYS  32 -11.993   5.479  -3.006
  639   2HB   LYS  32          2HB       LYS  32 -12.572   4.922  -4.570
  640   1HG   LYS  32          1HG       LYS  32 -13.939   6.936  -4.782
  641   2HG   LYS  32          2HG       LYS  32 -13.351   7.496  -3.215
  642   1HD   LYS  32          1HD       LYS  32 -12.170   8.523  -5.143
  643   2HD   LYS  32          2HD       LYS  32 -11.100   7.639  -4.052
  644   1HE   LYS  32          1HE       LYS  32 -10.960   5.799  -5.551
  645   2HE   LYS  32          2HE       LYS  32 -12.262   6.435  -6.555
  646   1HZ   LYS  32          1HZ       LYS  32  -9.590   7.685  -6.199
  647   2HZ   LYS  32          2HZ       LYS  32 -10.098   6.814  -7.558
  648   3HZ   LYS  32          3HZ       LYS  32 -10.838   8.284  -7.171
  649    H    LYS  33           H        LYS  33 -14.948   3.093  -4.623
  650    HA   LYS  33           HA       LYS  33 -16.773   4.829  -5.998
  651   1HB   LYS  33          1HB       LYS  33 -16.006   1.946  -6.200
  652   2HB   LYS  33          2HB       LYS  33 -17.493   2.487  -6.970
  653   1HG   LYS  33          1HG       LYS  33 -16.324   3.982  -8.384
  654   2HG   LYS  33          2HG       LYS  33 -14.828   3.783  -7.469
  655   1HD   LYS  33          1HD       LYS  33 -14.250   1.995  -8.668
  656   2HD   LYS  33          2HD       LYS  33 -15.821   1.237  -8.399
  657   1HE   LYS  33          1HE       LYS  33 -15.410   3.420 -10.425
  658   2HE   LYS  33          2HE       LYS  33 -15.163   1.718 -10.812
  659   1HZ   LYS  33          1HZ       LYS  33 -17.680   2.397  -9.519
  660   2HZ   LYS  33          2HZ       LYS  33 -17.488   2.948 -11.106
  661   3HZ   LYS  33          3HZ       LYS  33 -17.365   1.297 -10.764
  662    H    LEU  34           H        LEU  34 -17.043   2.197  -3.642
  663    HA   LEU  34           HA       LEU  34 -19.911   2.245  -3.630
  664   1HB   LEU  34          1HB       LEU  34 -17.986   0.479  -2.753
  665   2HB   LEU  34          2HB       LEU  34 -18.617   1.136  -1.254
  666    HG   LEU  34           HG       LEU  34 -20.205  -0.261  -3.407
  667   1HD1  LEU  34          1HD1      LEU  34 -18.791  -1.183  -1.096
  668   2HD1  LEU  34          2HD1      LEU  34 -20.521  -1.451  -0.883
  669   3HD1  LEU  34          3HD1      LEU  34 -19.694  -2.108  -2.295
  670   1HD2  LEU  34          1HD2      LEU  34 -21.332   1.692  -2.192
  671   2HD2  LEU  34          2HD2      LEU  34 -22.158   0.134  -2.184
  672   3HD2  LEU  34          3HD2      LEU  34 -21.268   0.667  -0.759
  673    H    LYS  35           H        LYS  35 -17.362   3.786  -1.801
  674    HA   LYS  35           HA       LYS  35 -19.154   4.800   0.223
  675   1HB   LYS  35          1HB       LYS  35 -16.836   4.293   0.803
  676   2HB   LYS  35          2HB       LYS  35 -16.265   5.459  -0.384
  677   1HG   LYS  35          1HG       LYS  35 -17.671   7.155   0.989
  678   2HG   LYS  35          2HG       LYS  35 -17.569   5.933   2.258
  679   1HD   LYS  35          1HD       LYS  35 -15.675   7.073   2.766
  680   2HD   LYS  35          2HD       LYS  35 -14.996   6.009   1.533
  681   1HE   LYS  35          1HE       LYS  35 -15.936   8.062   0.017
  682   2HE   LYS  35          2HE       LYS  35 -15.455   8.908   1.488
  683   1HZ   LYS  35          1HZ       LYS  35 -13.714   7.095  -0.095
  684   2HZ   LYS  35          2HZ       LYS  35 -13.649   8.785  -0.124
  685   3HZ   LYS  35          3HZ       LYS  35 -13.256   7.948   1.292
  686    H    GLN  36           H        GLN  36 -17.889   5.829  -2.832
  687    HA   GLN  36           HA       GLN  36 -18.566   8.610  -2.452
  688   1HB   GLN  36          1HB       GLN  36 -16.682   8.059  -3.875
  689   2HB   GLN  36          2HB       GLN  36 -17.705   7.063  -4.901
  690   1HG   GLN  36          1HG       GLN  36 -18.764   8.902  -5.844
  691   2HG   GLN  36          2HG       GLN  36 -18.282   9.974  -4.529
  692   2HE2  GLN  36          2HE2      GLN  36 -16.210   7.703  -6.222
  693   1HE2  GLN  36          1HE2      GLN  36 -15.185   8.889  -6.948
  694    H    SER  37           H        SER  37 -20.084   5.747  -3.668
  695    HA   SER  37           HA       SER  37 -22.133   7.120  -5.147
  696   1HB   SER  37          1HB       SER  37 -21.545   4.277  -4.440
  697   2HB   SER  37          2HB       SER  37 -23.184   4.695  -4.935
  698    HG   SER  37           HG       SER  37 -21.911   5.825  -6.747
  699    H    GLU  38           H        GLU  38 -21.666   6.044  -1.887
  700    HA   GLU  38           HA       GLU  38 -24.470   6.225  -1.192
  701   1HB   GLU  38          1HB       GLU  38 -23.093   4.570  -0.065
  702   2HB   GLU  38          2HB       GLU  38 -22.004   5.825   0.510
  703   1HG   GLU  38          1HG       GLU  38 -24.246   6.762   1.565
  704   2HG   GLU  38          2HG       GLU  38 -24.701   5.061   1.468
  705    H    ASP  39           H        ASP  39 -21.620   8.224  -1.058
  706    HA   ASP  39           HA       ASP  39 -22.892  10.201   0.648
  707   1HB   ASP  39          1HB       ASP  39 -20.358   9.534   0.568
  708   2HB   ASP  39          2HB       ASP  39 -20.298  10.665  -0.781
  709    H    ASP  40           H        ASP  40 -22.363   9.595  -2.716
  710    HA   ASP  40           HA       ASP  40 -22.579  12.189  -3.746
  711   1HB   ASP  40          1HB       ASP  40 -22.997   9.443  -4.810
  712   2HB   ASP  40          2HB       ASP  40 -23.686  10.775  -5.734
  713    H    ASP  41           H        ASP  41 -24.167  13.562  -3.281
  714    HA   ASP  41           HA       ASP  41 -26.926  12.540  -3.183
  715   1HB   ASP  41          1HB       ASP  41 -25.518  14.106  -1.338
  716   2HB   ASP  41          2HB       ASP  41 -26.612  15.227  -2.142

  No H/Q in entry =         716
  Start of MODEL   20
    1    H1   ALA   1           H1       ALA   1 -27.988 -12.758  -0.664
    2    H2   ALA   1           H2       ALA   1 -28.654 -13.957   0.368
    3    H3   ALA   1           H3       ALA   1 -28.520 -14.255  -1.315
    4    HA   ALA   1           HA       ALA   1 -30.257 -13.000  -1.847
    5   1HB   ALA   1          1HB       ALA   1 -31.472 -14.540  -0.719
    6   2HB   ALA   1          2HB       ALA   1 -31.873 -13.144   0.282
    7   3HB   ALA   1          3HB       ALA   1 -30.616 -14.268   0.798
    8    H    LEU   2           H        LEU   2 -29.692 -12.058   1.551
    9    HA   LEU   2           HA       LEU   2 -30.810  -9.473   1.208
   10   1HB   LEU   2          1HB       LEU   2 -28.861 -10.031   3.392
   11   2HB   LEU   2          2HB       LEU   2 -30.363  -9.129   3.442
   12    HG   LEU   2           HG       LEU   2 -31.223 -11.688   2.901
   13   1HD1  LEU   2          1HD1      LEU   2 -28.602 -11.988   3.780
   14   2HD1  LEU   2          2HD1      LEU   2 -29.595 -12.331   5.196
   15   3HD1  LEU   2          3HD1      LEU   2 -29.846 -13.235   3.703
   16   1HD2  LEU   2          1HD2      LEU   2 -31.375  -9.753   4.992
   17   2HD2  LEU   2          2HD2      LEU   2 -32.524 -11.022   4.567
   18   3HD2  LEU   2          3HD2      LEU   2 -31.218 -11.359   5.702
   19    H    LYS   3           H        LYS   3 -29.643  -7.430   1.527
   20    HA   LYS   3           HA       LYS   3 -27.078  -7.485   0.096
   21   1HB   LYS   3          1HB       LYS   3 -29.360  -5.602   0.181
   22   2HB   LYS   3          2HB       LYS   3 -27.763  -4.872   0.081
   23   1HG   LYS   3          1HG       LYS   3 -28.897  -6.906  -1.828
   24   2HG   LYS   3          2HG       LYS   3 -28.738  -5.173  -2.124
   25   1HD   LYS   3          1HD       LYS   3 -26.584  -5.375  -2.681
   26   2HD   LYS   3          2HD       LYS   3 -26.237  -6.380  -1.271
   27   1HE   LYS   3          1HE       LYS   3 -26.010  -8.104  -2.656
   28   2HE   LYS   3          2HE       LYS   3 -27.742  -8.002  -2.968
   29   1HZ   LYS   3          1HZ       LYS   3 -25.782  -6.376  -4.473
   30   2HZ   LYS   3          2HZ       LYS   3 -26.209  -7.937  -4.962
   31   3HZ   LYS   3          3HZ       LYS   3 -27.386  -6.724  -4.878
   32    H    LYS   4           H        LYS   4 -27.517  -7.934   3.021
   33    HA   LYS   4           HA       LYS   4 -26.462  -5.604   4.335
   34   1HB   LYS   4          1HB       LYS   4 -26.539  -8.389   5.479
   35   2HB   LYS   4          2HB       LYS   4 -26.587  -6.857   6.340
   36   1HG   LYS   4          1HG       LYS   4 -28.799  -6.855   4.613
   37   2HG   LYS   4          2HG       LYS   4 -28.747  -8.452   5.361
   38   1HD   LYS   4          1HD       LYS   4 -29.421  -7.642   7.327
   39   2HD   LYS   4          2HD       LYS   4 -28.213  -6.357   7.285
   40   1HE   LYS   4          1HE       LYS   4 -30.693  -5.690   7.333
   41   2HE   LYS   4          2HE       LYS   4 -29.637  -4.888   6.171
   42   1HZ   LYS   4          1HZ       LYS   4 -31.034  -7.307   5.303
   43   2HZ   LYS   4          2HZ       LYS   4 -31.946  -5.894   5.470
   44   3HZ   LYS   4          3HZ       LYS   4 -30.618  -5.926   4.421
   45    H    HIS   5           H        HIS   5 -25.205  -8.734   3.276
   46    HA   HIS   5           HA       HIS   5 -22.692  -8.689   4.407
   47   1HB   HIS   5          1HB       HIS   5 -21.972 -10.043   2.420
   48   2HB   HIS   5          2HB       HIS   5 -23.430 -10.632   3.210
   49    HD1  HIS   5           HD1      HIS   5 -22.118  -9.775  -0.037
   50    HD2  HIS   5           HD2      HIS   5 -25.867  -9.757   1.754
   51    HE1  HIS   5           HE1      HIS   5 -23.769  -9.699  -1.933
   52    HE2  HIS   5           HE2      HIS   5 -26.031  -9.689  -0.826
   53    H    HIS   6           H        HIS   6 -23.959  -6.721   1.861
   54    HA   HIS   6           HA       HIS   6 -21.590  -5.938   0.589
   55   1HB   HIS   6          1HB       HIS   6 -24.328  -4.802   0.857
   56   2HB   HIS   6          2HB       HIS   6 -23.056  -3.721   0.296
   57    HD1  HIS   6           HD1      HIS   6 -24.026  -7.303  -0.588
   58    HD2  HIS   6           HD2      HIS   6 -23.081  -3.683  -2.396
   59    HE1  HIS   6           HE1      HIS   6 -24.138  -7.739  -3.062
   60    HE2  HIS   6           HE2      HIS   6 -23.565  -5.534  -4.138
   61    H    GLU   7           H        GLU   7 -23.340  -4.396   3.282
   62    HA   GLU   7           HA       GLU   7 -21.612  -2.260   3.697
   63   1HB   GLU   7          1HB       GLU   7 -23.905  -2.914   4.817
   64   2HB   GLU   7          2HB       GLU   7 -22.867  -3.633   6.041
   65   1HG   GLU   7          1HG       GLU   7 -21.707  -1.356   6.127
   66   2HG   GLU   7          2HG       GLU   7 -23.113  -0.757   5.247
   67    H    ASN   8           H        ASN   8 -21.224  -5.614   4.442
   68    HA   ASN   8           HA       ASN   8 -19.165  -5.301   6.396
   69   1HB   ASN   8          1HB       ASN   8 -19.674  -7.718   4.652
   70   2HB   ASN   8          2HB       ASN   8 -18.853  -7.681   6.208
   71   2HD2  ASN   8          2HD2      ASN   8 -20.571  -9.440   6.411
   72   1HD2  ASN   8          1HD2      ASN   8 -22.078  -8.946   7.095
   73    H    GLU   9           H        GLU   9 -19.078  -6.403   3.002
   74    HA   GLU   9           HA       GLU   9 -16.302  -6.401   2.726
   75   1HB   GLU   9          1HB       GLU   9 -18.618  -6.503   0.949
   76   2HB   GLU   9          2HB       GLU   9 -17.239  -5.693   0.219
   77   1HG   GLU   9          1HG       GLU   9 -17.388  -8.497   1.280
   78   2HG   GLU   9          2HG       GLU   9 -17.100  -7.972  -0.379
   79    H    ILE  10           H        ILE  10 -18.533  -3.793   2.919
   80    HA   ILE  10           HA       ILE  10 -16.954  -1.849   1.567
   81    HB   ILE  10           HB       ILE  10 -19.562  -1.989   2.614
   82   1HG1  ILE  10          1HG1      ILE  10 -18.913   0.635   1.606
   83   2HG1  ILE  10          2HG1      ILE  10 -18.132  -0.618   0.646
   84   1HG2  ILE  10          1HG2      ILE  10 -18.016   0.203   3.969
   85   2HG2  ILE  10          2HG2      ILE  10 -19.763   0.260   3.730
   86   3HG2  ILE  10          3HG2      ILE  10 -19.048  -1.024   4.704
   87   1HD1  ILE  10          1HD1      ILE  10 -20.779  -1.464   1.111
   88   2HD1  ILE  10          2HD1      ILE  10 -20.844   0.230   0.619
   89   3HD1  ILE  10          3HD1      ILE  10 -20.041  -0.958  -0.410
   90    H    SER  11           H        SER  11 -17.620  -2.430   5.028
   91    HA   SER  11           HA       SER  11 -15.812  -0.523   6.009
   92   1HB   SER  11          1HB       SER  11 -17.362  -2.761   7.106
   93   2HB   SER  11          2HB       SER  11 -15.858  -2.449   7.972
   94    HG   SER  11           HG       SER  11 -16.789  -0.782   8.819
   95    H    HIS  12           H        HIS  12 -15.338  -3.719   4.763
   96    HA   HIS  12           HA       HIS  12 -12.767  -4.136   5.927
   97   1HB   HIS  12          1HB       HIS  12 -13.434  -6.204   5.334
   98   2HB   HIS  12          2HB       HIS  12 -14.606  -5.582   4.188
   99    HD1  HIS  12           HD1      HIS  12 -11.110  -6.894   4.419
  100    HD2  HIS  12           HD2      HIS  12 -13.770  -5.552   1.526
  101    HE1  HIS  12           HE1      HIS  12 -10.090  -7.551   2.215
  102    HE2  HIS  12           HE2      HIS  12 -11.718  -6.730   0.475
  103    H    HIS  13           H        HIS  13 -13.866  -3.122   2.682
  104    HA   HIS  13           HA       HIS  13 -11.316  -2.808   1.563
  105   1HB   HIS  13          1HB       HIS  13 -13.842  -1.267   0.955
  106   2HB   HIS  13          2HB       HIS  13 -12.400  -1.277  -0.049
  107    HD1  HIS  13           HD1      HIS  13 -12.017  -4.470   0.298
  108    HD2  HIS  13           HD2      HIS  13 -15.393  -2.428  -0.983
  109    HE1  HIS  13           HE1      HIS  13 -13.319  -6.131  -1.074
  110    HE2  HIS  13           HE2      HIS  13 -15.367  -4.876  -1.838
  111    H    ALA  14           H        ALA  14 -13.188  -0.781   3.696
  112    HA   ALA  14           HA       ALA  14 -11.770   1.632   3.315
  113   1HB   ALA  14          1HB       ALA  14 -12.812   1.168   6.018
  114   2HB   ALA  14          2HB       ALA  14 -13.987   0.914   4.727
  115   3HB   ALA  14          3HB       ALA  14 -13.159   2.464   4.873
  116    H    LYS  15           H        LYS  15 -11.503  -0.835   5.882
  117    HA   LYS  15           HA       LYS  15  -9.197   0.295   7.061
  118   1HB   LYS  15          1HB       LYS  15 -10.527  -2.389   7.189
  119   2HB   LYS  15          2HB       LYS  15  -8.937  -2.174   7.911
  120   1HG   LYS  15          1HG       LYS  15 -11.475  -0.727   8.621
  121   2HG   LYS  15          2HG       LYS  15 -10.576  -1.877   9.612
  122   1HD   LYS  15          1HD       LYS  15  -8.632  -0.248   9.474
  123   2HD   LYS  15          2HD       LYS  15  -9.787   0.914   8.818
  124   1HE   LYS  15          1HE       LYS  15 -10.350  -0.516  11.387
  125   2HE   LYS  15          2HE       LYS  15  -9.311   0.907  11.363
  126   1HZ   LYS  15          1HZ       LYS  15 -11.560   1.552   9.885
  127   2HZ   LYS  15          2HZ       LYS  15 -12.132   0.769  11.272
  128   3HZ   LYS  15          3HZ       LYS  15 -11.139   2.131  11.418
  129    H    GLU  16           H        GLU  16  -9.637  -1.414   4.148
  130    HA   GLU  16           HA       GLU  16  -6.971  -2.514   4.048
  131   1HB   GLU  16          1HB       GLU  16  -9.431  -2.813   2.558
  132   2HB   GLU  16          2HB       GLU  16  -8.076  -2.549   1.470
  133   1HG   GLU  16          1HG       GLU  16  -8.430  -4.741   3.489
  134   2HG   GLU  16          2HG       GLU  16  -8.289  -4.880   1.738
  135    H    ILE  17           H        ILE  17  -8.693   0.312   2.822
  136    HA   ILE  17           HA       ILE  17  -6.544   1.092   1.079
  137    HB   ILE  17           HB       ILE  17  -7.820   2.935   0.472
  138   1HG1  ILE  17          1HG1      ILE  17  -9.890   3.538   2.043
  139   2HG1  ILE  17          2HG1      ILE  17  -8.843   2.853   3.280
  140   1HG2  ILE  17          1HG2      ILE  17  -9.051   0.479   0.627
  141   2HG2  ILE  17          2HG2      ILE  17 -10.262   1.590   1.265
  142   3HG2  ILE  17          3HG2      ILE  17  -9.580   1.855  -0.337
  143   1HD1  ILE  17          1HD1      ILE  17  -7.547   4.796   1.511
  144   2HD1  ILE  17          2HD1      ILE  17  -8.838   5.443   2.524
  145   3HD1  ILE  17          3HD1      ILE  17  -7.468   4.617   3.264
  146    H    GLU  18           H        GLU  18  -7.564   1.857   4.354
  147    HA   GLU  18           HA       GLU  18  -5.603   3.929   4.714
  148   1HB   GLU  18          1HB       GLU  18  -7.609   2.553   6.444
  149   2HB   GLU  18          2HB       GLU  18  -6.280   3.398   7.223
  150   1HG   GLU  18          1HG       GLU  18  -6.912   5.445   5.995
  151   2HG   GLU  18          2HG       GLU  18  -8.297   4.581   5.330
  152    H    ARG  19           H        ARG  19  -5.916   0.512   5.535
  153    HA   ARG  19           HA       ARG  19  -3.483   0.381   7.022
  154   1HB   ARG  19          1HB       ARG  19  -5.295  -1.245   7.355
  155   2HB   ARG  19          2HB       ARG  19  -5.088  -1.822   5.707
  156   1HG   ARG  19          1HG       ARG  19  -2.723  -1.878   7.496
  157   2HG   ARG  19          2HG       ARG  19  -4.007  -3.056   7.778
  158   1HD   ARG  19          1HD       ARG  19  -3.745  -3.254   5.100
  159   2HD   ARG  19          2HD       ARG  19  -2.094  -2.826   5.546
  160    HE   ARG  19           HE       ARG  19  -3.336  -5.336   5.912
  161   1HH1  ARG  19          1HH1      ARG  19  -1.181  -3.105   7.495
  162   2HH1  ARG  19          2HH1      ARG  19  -0.357  -4.336   8.392
  163   1HH2  ARG  19          1HH2      ARG  19  -2.258  -6.965   7.089
  164   2HH2  ARG  19          2HH2      ARG  19  -0.968  -6.531   8.162
  165    H    LEU  20           H        LEU  20  -4.345   0.162   3.670
  166    HA   LEU  20           HA       LEU  20  -1.968  -1.128   2.778
  167   1HB   LEU  20          1HB       LEU  20  -4.240   0.310   1.504
  168   2HB   LEU  20          2HB       LEU  20  -2.764   0.141   0.573
  169    HG   LEU  20           HG       LEU  20  -4.077  -2.248   1.832
  170   1HD1  LEU  20          1HD1      LEU  20  -5.443  -0.680   0.092
  171   2HD1  LEU  20          2HD1      LEU  20  -4.605  -1.768  -1.013
  172   3HD1  LEU  20          3HD1      LEU  20  -5.651  -2.425   0.245
  173   1HD2  LEU  20          1HD2      LEU  20  -2.213  -1.848  -0.503
  174   2HD2  LEU  20          2HD2      LEU  20  -1.828  -2.585   1.052
  175   3HD2  LEU  20          3HD2      LEU  20  -2.941  -3.390  -0.054
  176    H    GLN  21           H        GLN  21  -3.032   2.237   3.042
  177    HA   GLN  21           HA       GLN  21  -0.799   3.440   1.844
  178   1HB   GLN  21          1HB       GLN  21  -3.051   4.485   2.543
  179   2HB   GLN  21          2HB       GLN  21  -2.317   4.677   4.129
  180   1HG   GLN  21          1HG       GLN  21  -0.420   5.715   2.430
  181   2HG   GLN  21          2HG       GLN  21  -1.942   6.218   1.696
  182   2HE2  GLN  21          2HE2      GLN  21  -0.660   5.891   4.994
  183   1HE2  GLN  21          1HE2      GLN  21  -1.151   7.461   5.523
  184    H    LYS  22           H        LYS  22  -1.459   2.639   5.243
  185    HA   LYS  22           HA       LYS  22   0.926   3.697   6.297
  186   1HB   LYS  22          1HB       LYS  22  -1.237   1.948   7.224
  187   2HB   LYS  22          2HB       LYS  22   0.316   1.605   7.974
  188   1HG   LYS  22          1HG       LYS  22  -1.036   4.295   7.911
  189   2HG   LYS  22          2HG       LYS  22  -1.012   3.186   9.283
  190   1HD   LYS  22          1HD       LYS  22   0.798   4.363   9.913
  191   2HD   LYS  22          2HD       LYS  22   1.637   3.381   8.711
  192   1HE   LYS  22          1HE       LYS  22   1.879   5.105   7.278
  193   2HE   LYS  22          2HE       LYS  22   0.299   5.785   7.666
  194   1HZ   LYS  22          1HZ       LYS  22   2.037   6.011   9.887
  195   2HZ   LYS  22          2HZ       LYS  22   2.767   6.689   8.521
  196   3HZ   LYS  22          3HZ       LYS  22   1.247   7.234   9.024
  197    H    GLU  23           H        GLU  23   0.163   0.617   4.816
  198    HA   GLU  23           HA       GLU  23   2.521  -0.747   5.598
  199   1HB   GLU  23          1HB       GLU  23   0.325  -1.190   3.663
  200   2HB   GLU  23          2HB       GLU  23   1.837  -2.017   3.318
  201   1HG   GLU  23          1HG       GLU  23   1.782  -3.012   5.565
  202   2HG   GLU  23          2HG       GLU  23   0.232  -2.224   5.854
  203    H    ILE  24           H        ILE  24   1.703   1.279   2.831
  204    HA   ILE  24           HA       ILE  24   4.026   0.709   1.323
  205    HB   ILE  24           HB       ILE  24   3.343   2.276  -0.192
  206   1HG1  ILE  24          1HG1      ILE  24   1.888   4.324   0.584
  207   2HG1  ILE  24          2HG1      ILE  24   2.601   3.985   2.156
  208   1HG2  ILE  24          1HG2      ILE  24   1.397   0.772   0.653
  209   2HG2  ILE  24          2HG2      ILE  24   0.718   2.300   1.213
  210   3HG2  ILE  24          3HG2      ILE  24   1.080   2.071  -0.496
  211   1HD1  ILE  24          1HD1      ILE  24   4.689   3.964   0.254
  212   2HD1  ILE  24          2HD1      ILE  24   3.710   5.404  -0.031
  213   3HD1  ILE  24          3HD1      ILE  24   4.404   5.111   1.564
  214    H    GLU  25           H        GLU  25   3.286   3.139   3.768
  215    HA   GLU  25           HA       GLU  25   5.652   4.641   3.563
  216   1HB   GLU  25          1HB       GLU  25   3.381   4.877   5.020
  217   2HB   GLU  25          2HB       GLU  25   4.486   4.307   6.262
  218   1HG   GLU  25          1HG       GLU  25   5.264   6.358   6.495
  219   2HG   GLU  25          2HG       GLU  25   5.825   6.330   4.824
  220    H    ARG  26           H        ARG  26   4.838   1.762   5.441
  221    HA   ARG  26           HA       ARG  26   7.164   1.593   6.981
  222   1HB   ARG  26          1HB       ARG  26   4.923   0.153   6.912
  223   2HB   ARG  26          2HB       ARG  26   5.932  -0.917   5.948
  224   1HG   ARG  26          1HG       ARG  26   7.615  -0.620   7.930
  225   2HG   ARG  26          2HG       ARG  26   6.158  -0.176   8.821
  226   1HD   ARG  26          1HD       ARG  26   6.539  -2.528   9.099
  227   2HD   ARG  26          2HD       ARG  26   5.120  -2.303   8.078
  228    HE   ARG  26           HE       ARG  26   7.284  -2.558   6.374
  229   1HH1  ARG  26          1HH1      ARG  26   5.677  -4.484   8.789
  230   2HH1  ARG  26          2HH1      ARG  26   6.082  -5.993   8.041
  231   1HH2  ARG  26          1HH2      ARG  26   7.822  -4.539   5.380
  232   2HH2  ARG  26          2HH2      ARG  26   7.302  -6.024   6.102
  233    H    HIS  27           H        HIS  27   6.440   0.415   3.724
  234    HA   HIS  27           HA       HIS  27   8.901  -0.935   3.341
  235   1HB   HIS  27          1HB       HIS  27   6.524  -0.488   1.853
  236   2HB   HIS  27          2HB       HIS  27   7.871   0.045   0.854
  237    HD1  HIS  27           HD1      HIS  27   9.738  -1.797   0.356
  238    HD2  HIS  27           HD2      HIS  27   6.205  -3.204   2.031
  239    HE1  HIS  27           HE1      HIS  27   9.757  -4.282  -0.024
  240    HE2  HIS  27           HE2      HIS  27   7.610  -5.115   0.998
  241    H    LYS  28           H        LYS  28   7.897   2.373   3.118
  242    HA   LYS  28           HA       LYS  28  10.072   3.301   1.531
  243   1HB   LYS  28          1HB       LYS  28   7.701   4.381   2.316
  244   2HB   LYS  28          2HB       LYS  28   8.816   5.207   3.396
  245   1HG   LYS  28          1HG       LYS  28   9.977   5.292   0.838
  246   2HG   LYS  28          2HG       LYS  28   8.273   5.703   0.637
  247   1HD   LYS  28          1HD       LYS  28   9.617   6.975   2.927
  248   2HD   LYS  28          2HD       LYS  28  10.196   7.475   1.337
  249   1HE   LYS  28          1HE       LYS  28   7.708   7.775   0.758
  250   2HE   LYS  28          2HE       LYS  28   7.441   7.712   2.499
  251   1HZ   LYS  28          1HZ       LYS  28   9.524   9.488   2.084
  252   2HZ   LYS  28          2HZ       LYS  28   8.354   9.871   0.924
  253   3HZ   LYS  28          3HZ       LYS  28   7.943   9.853   2.564
  254    H    GLN  29           H        GLN  29   9.522   2.805   4.942
  255    HA   GLN  29           HA       GLN  29  11.754   4.299   5.871
  256   1HB   GLN  29          1HB       GLN  29   9.637   3.309   7.126
  257   2HB   GLN  29          2HB       GLN  29  10.727   1.958   7.408
  258   1HG   GLN  29          1HG       GLN  29  11.173   3.170   9.265
  259   2HG   GLN  29          2HG       GLN  29  12.348   3.903   8.173
  260   2HE2  GLN  29          2HE2      GLN  29  12.206   5.683   9.717
  261   1HE2  GLN  29          1HE2      GLN  29  10.956   6.858   9.520
  262    H    SER  30           H        SER  30  11.247   0.895   5.053
  263    HA   SER  30           HA       SER  30  13.814   0.011   5.875
  264   1HB   SER  30          1HB       SER  30  11.473  -1.174   4.838
  265   2HB   SER  30          2HB       SER  30  12.772  -1.593   3.720
  266    HG   SER  30           HG       SER  30  13.461  -2.948   5.153
  267    H    ILE  31           H        ILE  31  12.506   1.021   2.743
  268    HA   ILE  31           HA       ILE  31  14.897   0.536   1.279
  269    HB   ILE  31           HB       ILE  31  12.756   0.631   0.140
  270   1HG1  ILE  31          1HG1      ILE  31  13.338   2.384  -1.631
  271   2HG1  ILE  31          2HG1      ILE  31  14.745   2.761  -0.639
  272   1HG2  ILE  31          1HG2      ILE  31  11.791   2.401   1.648
  273   2HG2  ILE  31          2HG2      ILE  31  12.696   3.590   0.714
  274   3HG2  ILE  31          3HG2      ILE  31  11.451   2.616  -0.066
  275   1HD1  ILE  31          1HD1      ILE  31  15.275   0.262  -0.809
  276   2HD1  ILE  31          2HD1      ILE  31  14.108   0.257  -2.132
  277   3HD1  ILE  31          3HD1      ILE  31  15.545   1.275  -2.227
  278    H    LYS  32           H        LYS  32  13.768   3.156   3.241
  279    HA   LYS  32           HA       LYS  32  15.559   5.125   2.161
  280   1HB   LYS  32          1HB       LYS  32  13.719   5.005   4.526
  281   2HB   LYS  32          2HB       LYS  32  14.901   6.300   4.399
  282   1HG   LYS  32          1HG       LYS  32  13.930   7.119   2.405
  283   2HG   LYS  32          2HG       LYS  32  12.930   5.677   2.220
  284   1HD   LYS  32          1HD       LYS  32  11.656   7.623   3.052
  285   2HD   LYS  32          2HD       LYS  32  11.647   6.268   4.182
  286   1HE   LYS  32          1HE       LYS  32  12.021   8.191   5.493
  287   2HE   LYS  32          2HE       LYS  32  13.590   7.400   5.343
  288   1HZ   LYS  32          1HZ       LYS  32  13.185   9.253   3.232
  289   2HZ   LYS  32          2HZ       LYS  32  12.987  10.015   4.729
  290   3HZ   LYS  32          3HZ       LYS  32  14.426   9.197   4.379
  291    H    LYS  33           H        LYS  33  15.584   2.866   4.853
  292    HA   LYS  33           HA       LYS  33  18.008   3.929   5.985
  293   1HB   LYS  33          1HB       LYS  33  16.263   2.799   7.352
  294   2HB   LYS  33          2HB       LYS  33  16.642   1.289   6.536
  295   1HG   LYS  33          1HG       LYS  33  17.790   1.181   8.565
  296   2HG   LYS  33          2HG       LYS  33  19.021   1.616   7.378
  297   1HD   LYS  33          1HD       LYS  33  19.217   3.766   8.171
  298   2HD   LYS  33          2HD       LYS  33  17.576   3.790   8.819
  299   1HE   LYS  33          1HE       LYS  33  18.283   3.121  10.821
  300   2HE   LYS  33          2HE       LYS  33  19.169   1.767  10.118
  301   1HZ   LYS  33          1HZ       LYS  33  20.886   3.561   9.509
  302   2HZ   LYS  33          2HZ       LYS  33  20.115   4.499  10.688
  303   3HZ   LYS  33          3HZ       LYS  33  20.817   3.019  11.110
  304    H    LEU  34           H        LEU  34  17.140   1.516   3.653
  305    HA   LEU  34           HA       LEU  34  19.701   0.194   3.694
  306   1HB   LEU  34          1HB       LEU  34  17.112  -0.234   2.482
  307   2HB   LEU  34          2HB       LEU  34  18.389  -0.429   1.297
  308    HG   LEU  34           HG       LEU  34  18.444  -1.852   3.948
  309   1HD1  LEU  34          1HD1      LEU  34  16.359  -2.382   2.683
  310   2HD1  LEU  34          2HD1      LEU  34  17.373  -2.962   1.361
  311   3HD1  LEU  34          3HD1      LEU  34  17.431  -3.759   2.933
  312   1HD2  LEU  34          1HD2      LEU  34  20.510  -1.581   2.478
  313   2HD2  LEU  34          2HD2      LEU  34  20.082  -3.219   2.972
  314   3HD2  LEU  34          3HD2      LEU  34  19.700  -2.660   1.344
  315    H    LYS  35           H        LYS  35  18.181   2.799   1.960
  316    HA   LYS  35           HA       LYS  35  20.145   2.877  -0.144
  317   1HB   LYS  35          1HB       LYS  35  17.729   4.415   0.602
  318   2HB   LYS  35          2HB       LYS  35  18.961   5.304  -0.283
  319   1HG   LYS  35          1HG       LYS  35  18.906   3.407  -1.969
  320   2HG   LYS  35          2HG       LYS  35  17.435   2.872  -1.154
  321   1HD   LYS  35          1HD       LYS  35  16.630   5.300  -1.499
  322   2HD   LYS  35          2HD       LYS  35  17.932   5.401  -2.687
  323   1HE   LYS  35          1HE       LYS  35  16.983   3.702  -4.018
  324   2HE   LYS  35          2HE       LYS  35  15.879   3.207  -2.736
  325   1HZ   LYS  35          1HZ       LYS  35  14.799   5.411  -2.963
  326   2HZ   LYS  35          2HZ       LYS  35  15.776   5.722  -4.309
  327   3HZ   LYS  35          3HZ       LYS  35  14.664   4.448  -4.348
  328    H    GLN  36           H        GLN  36  19.574   4.534   2.906
  329    HA   GLN  36           HA       GLN  36  21.695   6.433   2.517
  330   1HB   GLN  36          1HB       GLN  36  19.508   6.337   4.157
  331   2HB   GLN  36          2HB       GLN  36  20.802   5.925   5.273
  332   1HG   GLN  36          1HG       GLN  36  21.988   7.968   4.656
  333   2HG   GLN  36          2HG       GLN  36  20.688   8.382   3.538
  334   2HE2  GLN  36          2HE2      GLN  36  18.475   8.431   4.579
  335   1HE2  GLN  36          1HE2      GLN  36  18.368   9.189   6.128
  336    H    SER  37           H        SER  37  21.348   3.272   3.933
  337    HA   SER  37           HA       SER  37  23.862   3.353   5.333
  338   1HB   SER  37          1HB       SER  37  23.428   0.979   5.803
  339   2HB   SER  37          2HB       SER  37  22.006   1.960   6.155
  340    HG   SER  37           HG       SER  37  22.286  -0.077   4.408
  341    H    GLU  38           H        GLU  38  22.743   2.453   2.178
  342    HA   GLU  38           HA       GLU  38  25.050   0.879   1.499
  343   1HB   GLU  38          1HB       GLU  38  22.516   1.571   0.279
  344   2HB   GLU  38          2HB       GLU  38  23.834   1.730  -0.875
  345   1HG   GLU  38          1HG       GLU  38  24.417  -0.659   0.276
  346   2HG   GLU  38          2HG       GLU  38  22.654  -0.664   0.326
  347    H    ASP  39           H        ASP  39  24.181   4.226   1.407
  348    HA   ASP  39           HA       ASP  39  26.131   5.020  -0.533
  349   1HB   ASP  39          1HB       ASP  39  23.985   6.248   0.854
  350   2HB   ASP  39          2HB       ASP  39  25.437   7.176   1.226
  351    H    ASP  40           H        ASP  40  26.101   4.534   2.911
  352    HA   ASP  40           HA       ASP  40  28.849   5.580   3.078
  353   1HB   ASP  40          1HB       ASP  40  27.270   6.724   4.568
  354   2HB   ASP  40          2HB       ASP  40  26.822   5.181   5.290
  355    H    ASP  41           H        ASP  41  30.380   4.086   3.124
  356    HA   ASP  41           HA       ASP  41  29.922   1.336   3.327
  357   1HB   ASP  41          1HB       ASP  41  32.141   3.039   2.856
  358   2HB   ASP  41          2HB       ASP  41  32.602   1.935   4.148
  359    H1   ALA   1           H1       ALA   1  27.988 -12.757   0.654
  360    H2   ALA   1           H2       ALA   1  28.655 -13.955  -0.378
  361    H3   ALA   1           H3       ALA   1  28.521 -14.253   1.304
  362    HA   ALA   1           HA       ALA   1  30.257 -12.998   1.836
  363   1HB   ALA   1          1HB       ALA   1  31.473 -14.538   0.708
  364   2HB   ALA   1          2HB       ALA   1  30.616 -14.266  -0.809
  365   3HB   ALA   1          3HB       ALA   1  31.873 -13.142  -0.292
  366    H    LEU   2           H        LEU   2  29.693 -12.056  -1.563
  367    HA   LEU   2           HA       LEU   2  30.811  -9.471  -1.218
  368   1HB   LEU   2          1HB       LEU   2  28.860 -10.029  -3.402
  369   2HB   LEU   2          2HB       LEU   2  30.364  -9.127  -3.454
  370    HG   LEU   2           HG       LEU   2  31.222 -11.686  -2.912
  371   1HD1  LEU   2          1HD1      LEU   2  28.602 -11.987  -3.790
  372   2HD1  LEU   2          2HD1      LEU   2  29.595 -12.329  -5.206
  373   3HD1  LEU   2          3HD1      LEU   2  29.846 -13.234  -3.713
  374   1HD2  LEU   2          1HD2      LEU   2  31.375  -9.752  -5.003
  375   2HD2  LEU   2          2HD2      LEU   2  32.524 -11.020  -4.579
  376   3HD2  LEU   2          3HD2      LEU   2  31.217 -11.358  -5.713
  377    H    LYS   3           H        LYS   3  29.644  -7.428  -1.535
  378    HA   LYS   3           HA       LYS   3  27.079  -7.483  -0.105
  379   1HB   LYS   3          1HB       LYS   3  29.361  -5.601  -0.191
  380   2HB   LYS   3          2HB       LYS   3  27.764  -4.871  -0.090
  381   1HG   LYS   3          1HG       LYS   3  28.899  -6.906   1.817
  382   2HG   LYS   3          2HG       LYS   3  28.741  -5.174   2.115
  383   1HD   LYS   3          1HD       LYS   3  26.587  -5.375   2.673
  384   2HD   LYS   3          2HD       LYS   3  26.240  -6.378   1.263
  385   1HE   LYS   3          1HE       LYS   3  26.013  -8.104   2.646
  386   2HE   LYS   3          2HE       LYS   3  27.744  -8.001   2.959
  387   1HZ   LYS   3          1HZ       LYS   3  25.785  -6.375   4.465
  388   2HZ   LYS   3          2HZ       LYS   3  26.212  -7.937   4.953
  389   3HZ   LYS   3          3HZ       LYS   3  27.389  -6.725   4.870
  390    H    LYS   4           H        LYS   4  27.516  -7.933  -3.029
  391    HA   LYS   4           HA       LYS   4  26.462  -5.603  -4.343
  392   1HB   LYS   4          1HB       LYS   4  26.538  -8.388  -5.488
  393   2HB   LYS   4          2HB       LYS   4  26.586  -6.855  -6.349
  394   1HG   LYS   4          1HG       LYS   4  28.799  -6.853  -4.623
  395   2HG   LYS   4          2HG       LYS   4  28.747  -8.451  -5.371
  396   1HD   LYS   4          1HD       LYS   4  29.420  -7.640  -7.337
  397   2HD   LYS   4          2HD       LYS   4  28.212  -6.354  -7.294
  398   1HE   LYS   4          1HE       LYS   4  30.692  -5.689  -7.343
  399   2HE   LYS   4          2HE       LYS   4  29.637  -4.886  -6.181
  400   1HZ   LYS   4          1HZ       LYS   4  31.033  -7.305  -5.313
  401   2HZ   LYS   4          2HZ       LYS   4  31.944  -5.891  -5.479
  402   3HZ   LYS   4          3HZ       LYS   4  30.616  -5.924  -4.430
  403    H    HIS   5           H        HIS   5  25.205  -8.732  -3.284
  404    HA   HIS   5           HA       HIS   5  22.691  -8.686  -4.414
  405   1HB   HIS   5          1HB       HIS   5  21.971 -10.040  -2.427
  406   2HB   HIS   5          2HB       HIS   5  23.430 -10.630  -3.218
  407    HD1  HIS   5           HD1      HIS   5  22.118  -9.773   0.030
  408    HD2  HIS   5           HD2      HIS   5  25.867  -9.757  -1.764
  409    HE1  HIS   5           HE1      HIS   5  23.770  -9.699   1.925
  410    HE2  HIS   5           HE2      HIS   5  26.033  -9.689   0.816
  411    H    HIS   6           H        HIS   6  23.959  -6.719  -1.868
  412    HA   HIS   6           HA       HIS   6  21.591  -5.937  -0.596
  413   1HB   HIS   6          1HB       HIS   6  24.329  -4.800  -0.863
  414   2HB   HIS   6          2HB       HIS   6  23.057  -3.719  -0.302
  415    HD1  HIS   6           HD1      HIS   6  24.028  -7.302   0.579
  416    HD2  HIS   6           HD2      HIS   6  23.083  -3.683   2.391
  417    HE1  HIS   6           HE1      HIS   6  24.140  -7.739   3.053
  418    HE2  HIS   6           HE2      HIS   6  23.566  -5.535   4.131
  419    H    GLU   7           H        GLU   7  23.340  -4.396  -3.290
  420    HA   GLU   7           HA       GLU   7  21.613  -2.259  -3.703
  421   1HB   GLU   7          1HB       GLU   7  23.905  -2.911  -4.823
  422   2HB   GLU   7          2HB       GLU   7  22.867  -3.630  -6.047
  423   1HG   GLU   7          1HG       GLU   7  21.706  -1.354  -6.133
  424   2HG   GLU   7          2HG       GLU   7  23.111  -0.753  -5.252
  425    H    ASN   8           H        ASN   8  21.223  -5.612  -4.448
  426    HA   ASN   8           HA       ASN   8  19.164  -5.298  -6.402
  427   1HB   ASN   8          1HB       ASN   8  19.675  -7.716  -4.659
  428   2HB   ASN   8          2HB       ASN   8  18.852  -7.677  -6.215
  429   2HD2  ASN   8          2HD2      ASN   8  20.571  -9.438  -6.417
  430   1HD2  ASN   8          1HD2      ASN   8  22.077  -8.943  -7.103
  431    H    GLU   9           H        GLU   9  19.079  -6.400  -3.008
  432    HA   GLU   9           HA       GLU   9  16.302  -6.400  -2.731
  433   1HB   GLU   9          1HB       GLU   9  18.620  -6.502  -0.956
  434   2HB   GLU   9          2HB       GLU   9  17.241  -5.694  -0.225
  435   1HG   GLU   9          1HG       GLU   9  17.389  -8.497  -1.287
  436   2HG   GLU   9          2HG       GLU   9  17.102  -7.973   0.372
  437    H    ILE  10           H        ILE  10  18.533  -3.792  -2.925
  438    HA   ILE  10           HA       ILE  10  16.954  -1.849  -1.570
  439    HB   ILE  10           HB       ILE  10  19.562  -1.988  -2.617
  440   1HG1  ILE  10          1HG1      ILE  10  18.916   0.636  -1.608
  441   2HG1  ILE  10          2HG1      ILE  10  18.131  -0.616  -0.650
  442   1HG2  ILE  10          1HG2      ILE  10  18.016   0.205  -3.971
  443   2HG2  ILE  10          2HG2      ILE  10  19.763   0.262  -3.733
  444   3HG2  ILE  10          3HG2      ILE  10  19.048  -1.022  -4.708
  445   1HD1  ILE  10          1HD1      ILE  10  20.777  -1.466  -1.112
  446   2HD1  ILE  10          2HD1      ILE  10  20.844   0.226  -0.617
  447   3HD1  ILE  10          3HD1      ILE  10  20.038  -0.961   0.408
  448    H    SER  11           H        SER  11  17.619  -2.429  -5.031
  449    HA   SER  11           HA       SER  11  15.811  -0.521  -6.010
  450   1HB   SER  11          1HB       SER  11  17.362  -2.757  -7.109
  451   2HB   SER  11          2HB       SER  11  15.857  -2.446  -7.975
  452    HG   SER  11           HG       SER  11  16.788  -0.779  -8.823
  453    H    HIS  12           H        HIS  12  15.337  -3.717  -4.766
  454    HA   HIS  12           HA       HIS  12  12.767  -4.133  -5.930
  455   1HB   HIS  12          1HB       HIS  12  13.433  -6.202  -5.339
  456   2HB   HIS  12          2HB       HIS  12  14.607  -5.580  -4.192
  457    HD1  HIS  12           HD1      HIS  12  11.110  -6.893  -4.424
  458    HD2  HIS  12           HD2      HIS  12  13.771  -5.553  -1.530
  459    HE1  HIS  12           HE1      HIS  12  10.092  -7.551  -2.220
  460    HE2  HIS  12           HE2      HIS  12  11.719  -6.731  -0.480
  461    H    HIS  13           H        HIS  13  13.867  -3.121  -2.685
  462    HA   HIS  13           HA       HIS  13  11.318  -2.808  -1.564
  463   1HB   HIS  13          1HB       HIS  13  13.844  -1.267  -0.958
  464   2HB   HIS  13          2HB       HIS  13  12.403  -1.278   0.047
  465    HD1  HIS  13           HD1      HIS  13  12.019  -4.470  -0.301
  466    HD2  HIS  13           HD2      HIS  13  15.396  -2.430   0.979
  467    HE1  HIS  13           HE1      HIS  13  13.321  -6.132   1.068
  468    HE2  HIS  13           HE2      HIS  13  15.370  -4.877   1.835
  469    H    ALA  14           H        ALA  14  13.189  -0.780  -3.697
  470    HA   ALA  14           HA       ALA  14  11.770   1.632  -3.315
  471   1HB   ALA  14          1HB       ALA  14  13.988   0.916  -4.727
  472   2HB   ALA  14          2HB       ALA  14  12.813   1.170  -6.018
  473   3HB   ALA  14          3HB       ALA  14  13.159   2.466  -4.873
  474    H    LYS  15           H        LYS  15  11.503  -0.833  -5.883
  475    HA   LYS  15           HA       LYS  15   9.197   0.297  -7.062
  476   1HB   LYS  15          1HB       LYS  15  10.527  -2.386  -7.191
  477   2HB   LYS  15          2HB       LYS  15   8.937  -2.170  -7.912
  478   1HG   LYS  15          1HG       LYS  15  11.476  -0.722  -8.623
  479   2HG   LYS  15          2HG       LYS  15  10.577  -1.873  -9.614
  480   1HD   LYS  15          1HD       LYS  15   8.631  -0.244  -9.475
  481   2HD   LYS  15          2HD       LYS  15   9.785   0.918  -8.820
  482   1HE   LYS  15          1HE       LYS  15  10.347  -0.514 -11.389
  483   2HE   LYS  15          2HE       LYS  15   9.308   0.911 -11.364
  484   1HZ   LYS  15          1HZ       LYS  15  11.558   1.555  -9.888
  485   2HZ   LYS  15          2HZ       LYS  15  12.129   0.772 -11.275
  486   3HZ   LYS  15          3HZ       LYS  15  11.137   2.133 -11.421
  487    H    GLU  16           H        GLU  16   9.638  -1.411  -4.149
  488    HA   GLU  16           HA       GLU  16   6.972  -2.513  -4.050
  489   1HB   GLU  16          1HB       GLU  16   9.432  -2.812  -2.561
  490   2HB   GLU  16          2HB       GLU  16   8.077  -2.548  -1.472
  491   1HG   GLU  16          1HG       GLU  16   8.430  -4.740  -3.492
  492   2HG   GLU  16          2HG       GLU  16   8.291  -4.880  -1.741
  493    H    ILE  17           H        ILE  17   8.693   0.312  -2.821
  494    HA   ILE  17           HA       ILE  17   6.545   1.091  -1.079
  495    HB   ILE  17           HB       ILE  17   7.820   2.935  -0.472
  496   1HG1  ILE  17          1HG1      ILE  17   9.890   3.538  -2.043
  497   2HG1  ILE  17          2HG1      ILE  17   8.843   2.853  -3.280
  498   1HG2  ILE  17          1HG2      ILE  17   9.051   0.479  -0.627
  499   2HG2  ILE  17          2HG2      ILE  17  10.263   1.591  -1.264
  500   3HG2  ILE  17          3HG2      ILE  17   9.580   1.855   0.339
  501   1HD1  ILE  17          1HD1      ILE  17   7.548   4.797  -1.510
  502   2HD1  ILE  17          2HD1      ILE  17   8.839   5.444  -2.523
  503   3HD1  ILE  17          3HD1      ILE  17   7.468   4.618  -3.264
  504    H    GLU  18           H        GLU  18   7.564   1.858  -4.353
  505    HA   GLU  18           HA       GLU  18   5.604   3.930  -4.713
  506   1HB   GLU  18          1HB       GLU  18   7.610   2.555  -6.443
  507   2HB   GLU  18          2HB       GLU  18   6.280   3.399  -7.223
  508   1HG   GLU  18          1HG       GLU  18   6.911   5.447  -5.994
  509   2HG   GLU  18          2HG       GLU  18   8.297   4.583  -5.329
  510    H    ARG  19           H        ARG  19   5.915   0.513  -5.535
  511    HA   ARG  19           HA       ARG  19   3.483   0.383  -7.022
  512   1HB   ARG  19          1HB       ARG  19   5.294  -1.242  -7.356
  513   2HB   ARG  19          2HB       ARG  19   5.087  -1.820  -5.708
  514   1HG   ARG  19          1HG       ARG  19   2.722  -1.876  -7.496
  515   2HG   ARG  19          2HG       ARG  19   4.006  -3.054  -7.780
  516   1HD   ARG  19          1HD       ARG  19   3.744  -3.252  -5.102
  517   2HD   ARG  19          2HD       ARG  19   2.093  -2.825  -5.547
  518    HE   ARG  19           HE       ARG  19   3.336  -5.334  -5.914
  519   1HH1  ARG  19          1HH1      ARG  19   1.179  -3.103  -7.495
  520   2HH1  ARG  19          2HH1      ARG  19   0.355  -4.334  -8.392
  521   1HH2  ARG  19          1HH2      ARG  19   2.257  -6.964  -7.091
  522   2HH2  ARG  19          2HH2      ARG  19   0.968  -6.529  -8.162
  523    H    LEU  20           H        LEU  20   4.345   0.164  -3.670
  524    HA   LEU  20           HA       LEU  20   1.968  -1.127  -2.778
  525   1HB   LEU  20          1HB       LEU  20   4.240   0.312  -1.504
  526   2HB   LEU  20          2HB       LEU  20   2.765   0.141  -0.572
  527    HG   LEU  20           HG       LEU  20   4.078  -2.247  -1.833
  528   1HD1  LEU  20          1HD1      LEU  20   5.445  -0.679  -0.093
  529   2HD1  LEU  20          2HD1      LEU  20   4.607  -1.768   1.012
  530   3HD1  LEU  20          3HD1      LEU  20   5.654  -2.424  -0.246
  531   1HD2  LEU  20          1HD2      LEU  20   2.215  -1.848   0.503
  532   2HD2  LEU  20          2HD2      LEU  20   1.829  -2.585  -1.052
  533   3HD2  LEU  20          3HD2      LEU  20   2.943  -3.390   0.052
  534    H    GLN  21           H        GLN  21   3.032   2.238  -3.041
  535    HA   GLN  21           HA       GLN  21   0.799   3.441  -1.843
  536   1HB   GLN  21          1HB       GLN  21   3.051   4.486  -2.542
  537   2HB   GLN  21          2HB       GLN  21   2.316   4.679  -4.128
  538   1HG   GLN  21          1HG       GLN  21   0.419   5.716  -2.429
  539   2HG   GLN  21          2HG       GLN  21   1.942   6.219  -1.696
  540   2HE2  GLN  21          2HE2      GLN  21   0.659   5.892  -4.993
  541   1HE2  GLN  21          1HE2      GLN  21   1.151   7.462  -5.522
  542    H    LYS  22           H        LYS  22   1.459   2.641  -5.242
  543    HA   LYS  22           HA       LYS  22  -0.926   3.699  -6.295
  544   1HB   LYS  22          1HB       LYS  22   1.236   1.950  -7.223
  545   2HB   LYS  22          2HB       LYS  22  -0.317   1.608  -7.974
  546   1HG   LYS  22          1HG       LYS  22   1.035   4.298  -7.909
  547   2HG   LYS  22          2HG       LYS  22   1.011   3.188  -9.282
  548   1HD   LYS  22          1HD       LYS  22  -0.800   4.366  -9.911
  549   2HD   LYS  22          2HD       LYS  22  -1.639   3.382  -8.709
  550   1HE   LYS  22          1HE       LYS  22  -1.881   5.107  -7.277
  551   2HE   LYS  22          2HE       LYS  22  -0.300   5.786  -7.664
  552   1HZ   LYS  22          1HZ       LYS  22  -2.039   6.014  -9.885
  553   2HZ   LYS  22          2HZ       LYS  22  -2.769   6.692  -8.518
  554   3HZ   LYS  22          3HZ       LYS  22  -1.249   7.237  -9.022
  555    H    GLU  23           H        GLU  23  -0.164   0.619  -4.815
  556    HA   GLU  23           HA       GLU  23  -2.522  -0.746  -5.598
  557   1HB   GLU  23          1HB       GLU  23  -0.325  -1.189  -3.663
  558   2HB   GLU  23          2HB       GLU  23  -1.837  -2.016  -3.318
  559   1HG   GLU  23          1HG       GLU  23  -1.783  -3.011  -5.564
  560   2HG   GLU  23          2HG       GLU  23  -0.232  -2.222  -5.855
  561    H    ILE  24           H        ILE  24  -1.703   1.280  -2.830
  562    HA   ILE  24           HA       ILE  24  -4.026   0.710  -1.322
  563    HB   ILE  24           HB       ILE  24  -3.342   2.275   0.193
  564   1HG1  ILE  24          1HG1      ILE  24  -1.887   4.324  -0.583
  565   2HG1  ILE  24          2HG1      ILE  24  -2.602   3.985  -2.155
  566   1HG2  ILE  24          1HG2      ILE  24  -1.396   0.771  -0.653
  567   2HG2  ILE  24          2HG2      ILE  24  -0.718   2.300  -1.211
  568   3HG2  ILE  24          3HG2      ILE  24  -1.080   2.070   0.496
  569   1HD1  ILE  24          1HD1      ILE  24  -4.689   3.964  -0.251
  570   2HD1  ILE  24          2HD1      ILE  24  -3.709   5.405   0.033
  571   3HD1  ILE  24          3HD1      ILE  24  -4.403   5.113  -1.562
  572    H    GLU  25           H        GLU  25  -3.286   3.140  -3.767
  573    HA   GLU  25           HA       GLU  25  -5.652   4.642  -3.561
  574   1HB   GLU  25          1HB       GLU  25  -3.381   4.877  -5.018
  575   2HB   GLU  25          2HB       GLU  25  -4.487   4.309  -6.260
  576   1HG   GLU  25          1HG       GLU  25  -5.264   6.360  -6.493
  577   2HG   GLU  25          2HG       GLU  25  -5.825   6.332  -4.822
  578    H    ARG  26           H        ARG  26  -4.839   1.763  -5.440
  579    HA   ARG  26           HA       ARG  26  -7.165   1.595  -6.980
  580   1HB   ARG  26          1HB       ARG  26  -4.924   0.155  -6.912
  581   2HB   ARG  26          2HB       ARG  26  -5.932  -0.915  -5.948
  582   1HG   ARG  26          1HG       ARG  26  -7.616  -0.616  -7.929
  583   2HG   ARG  26          2HG       ARG  26  -6.159  -0.173  -8.821
  584   1HD   ARG  26          1HD       ARG  26  -6.542  -2.525  -9.098
  585   2HD   ARG  26          2HD       ARG  26  -5.122  -2.301  -8.079
  586    HE   ARG  26           HE       ARG  26  -7.285  -2.555  -6.373
  587   1HH1  ARG  26          1HH1      ARG  26  -5.679  -4.482  -8.789
  588   2HH1  ARG  26          2HH1      ARG  26  -6.083  -5.991  -8.041
  589   1HH2  ARG  26          1HH2      ARG  26  -7.822  -4.537  -5.378
  590   2HH2  ARG  26          2HH2      ARG  26  -7.302  -6.022  -6.101
  591    H    HIS  27           H        HIS  27  -6.440   0.416  -3.724
  592    HA   HIS  27           HA       HIS  27  -8.902  -0.934  -3.341
  593   1HB   HIS  27          1HB       HIS  27  -6.524  -0.488  -1.853
  594   2HB   HIS  27          2HB       HIS  27  -7.871   0.045  -0.853
  595    HD1  HIS  27           HD1      HIS  27  -9.738  -1.797  -0.357
  596    HD2  HIS  27           HD2      HIS  27  -6.205  -3.203  -2.032
  597    HE1  HIS  27           HE1      HIS  27  -9.758  -4.282   0.023
  598    HE2  HIS  27           HE2      HIS  27  -7.610  -5.114  -0.999
  599    H    LYS  28           H        LYS  28  -7.897   2.374  -3.117
  600    HA   LYS  28           HA       LYS  28 -10.072   3.302  -1.529
  601   1HB   LYS  28          1HB       LYS  28  -7.700   4.382  -2.314
  602   2HB   LYS  28          2HB       LYS  28  -8.816   5.207  -3.393
  603   1HG   LYS  28          1HG       LYS  28  -9.976   5.292  -0.835
  604   2HG   LYS  28          2HG       LYS  28  -8.272   5.703  -0.635
  605   1HD   LYS  28          1HD       LYS  28  -9.616   6.975  -2.924
  606   2HD   LYS  28          2HD       LYS  28 -10.196   7.475  -1.334
  607   1HE   LYS  28          1HE       LYS  28  -7.709   7.774  -0.753
  608   2HE   LYS  28          2HE       LYS  28  -7.440   7.712  -2.495
  609   1HZ   LYS  28          1HZ       LYS  28  -9.524   9.489  -2.079
  610   2HZ   LYS  28          2HZ       LYS  28  -8.354   9.872  -0.920
  611   3HZ   LYS  28          3HZ       LYS  28  -7.943   9.854  -2.560
  612    H    GLN  29           H        GLN  29  -9.523   2.807  -4.940
  613    HA   GLN  29           HA       GLN  29 -11.755   4.302  -5.868
  614   1HB   GLN  29          1HB       GLN  29  -9.639   3.311  -7.125
  615   2HB   GLN  29          2HB       GLN  29 -10.728   1.961  -7.406
  616   1HG   GLN  29          1HG       GLN  29 -11.175   3.173  -9.263
  617   2HG   GLN  29          2HG       GLN  29 -12.349   3.905  -8.171
  618   2HE2  GLN  29          2HE2      GLN  29 -12.208   5.686  -9.713
  619   1HE2  GLN  29          1HE2      GLN  29 -10.958   6.862  -9.516
  620    H    SER  30           H        SER  30 -11.248   0.897  -5.052
  621    HA   SER  30           HA       SER  30 -13.816   0.014  -5.873
  622   1HB   SER  30          1HB       SER  30 -11.474  -1.172  -4.840
  623   2HB   SER  30          2HB       SER  30 -12.770  -1.590  -3.719
  624    HG   SER  30           HG       SER  30 -13.461  -2.947  -5.152
  625    H    ILE  31           H        ILE  31 -12.506   1.024  -2.742
  626    HA   ILE  31           HA       ILE  31 -14.896   0.536  -1.277
  627    HB   ILE  31           HB       ILE  31 -12.755   0.632  -0.139
  628   1HG1  ILE  31          1HG1      ILE  31 -13.337   2.383   1.633
  629   2HG1  ILE  31          2HG1      ILE  31 -14.744   2.762   0.642
  630   1HG2  ILE  31          1HG2      ILE  31 -11.791   2.403  -1.647
  631   2HG2  ILE  31          2HG2      ILE  31 -12.696   3.590  -0.712
  632   3HG2  ILE  31          3HG2      ILE  31 -11.451   2.617   0.067
  633   1HD1  ILE  31          1HD1      ILE  31 -15.275   0.262   0.809
  634   2HD1  ILE  31          2HD1      ILE  31 -14.108   0.255   2.132
  635   3HD1  ILE  31          3HD1      ILE  31 -15.544   1.275   2.230
  636    H    LYS  32           H        LYS  32 -13.768   3.158  -3.237
  637    HA   LYS  32           HA       LYS  32 -15.559   5.126  -2.156
  638   1HB   LYS  32          1HB       LYS  32 -13.721   5.006  -4.522
  639   2HB   LYS  32          2HB       LYS  32 -14.902   6.302  -4.394
  640   1HG   LYS  32          1HG       LYS  32 -13.930   7.120  -2.401
  641   2HG   LYS  32          2HG       LYS  32 -12.931   5.678  -2.215
  642   1HD   LYS  32          1HD       LYS  32 -11.655   7.622  -3.048
  643   2HD   LYS  32          2HD       LYS  32 -11.648   6.269  -4.179
  644   1HE   LYS  32          1HE       LYS  32 -12.021   8.194  -5.487
  645   2HE   LYS  32          2HE       LYS  32 -13.589   7.403  -5.340
  646   1HZ   LYS  32          1HZ       LYS  32 -13.186   9.254  -3.226
  647   2HZ   LYS  32          2HZ       LYS  32 -12.988  10.018  -4.722
  648   3HZ   LYS  32          3HZ       LYS  32 -14.426   9.197  -4.373
  649    H    LYS  33           H        LYS  33 -15.585   2.868  -4.848
  650    HA   LYS  33           HA       LYS  33 -18.009   3.931  -5.979
  651   1HB   LYS  33          1HB       LYS  33 -16.264   2.800  -7.347
  652   2HB   LYS  33          2HB       LYS  33 -16.643   1.291  -6.532
  653   1HG   LYS  33          1HG       LYS  33 -17.791   1.183  -8.561
  654   2HG   LYS  33          2HG       LYS  33 -19.021   1.617  -7.373
  655   1HD   LYS  33          1HD       LYS  33 -19.218   3.768  -8.164
  656   2HD   LYS  33          2HD       LYS  33 -17.578   3.792  -8.815
  657   1HE   LYS  33          1HE       LYS  33 -18.286   3.123 -10.815
  658   2HE   LYS  33          2HE       LYS  33 -19.171   1.770 -10.113
  659   1HZ   LYS  33          1HZ       LYS  33 -20.888   3.563  -9.502
  660   2HZ   LYS  33          2HZ       LYS  33 -20.117   4.503 -10.682
  661   3HZ   LYS  33          3HZ       LYS  33 -20.820   3.022 -11.103
  662    H    LEU  34           H        LEU  34 -17.140   1.517  -3.650
  663    HA   LEU  34           HA       LEU  34 -19.701   0.196  -3.690
  664   1HB   LEU  34          1HB       LEU  34 -17.112  -0.233  -2.478
  665   2HB   LEU  34          2HB       LEU  34 -18.389  -0.431  -1.293
  666    HG   LEU  34           HG       LEU  34 -18.445  -1.850  -3.947
  667   1HD1  LEU  34          1HD1      LEU  34 -16.358  -2.380  -2.688
  668   2HD1  LEU  34          2HD1      LEU  34 -17.367  -2.961  -1.364
  669   3HD1  LEU  34          3HD1      LEU  34 -17.430  -3.758  -2.936
  670   1HD2  LEU  34          1HD2      LEU  34 -20.510  -1.583  -2.474
  671   2HD2  LEU  34          2HD2      LEU  34 -20.080  -3.220  -2.970
  672   3HD2  LEU  34          3HD2      LEU  34 -19.697  -2.663  -1.341
  673    H    LYS  35           H        LYS  35 -18.181   2.800  -1.957
  674    HA   LYS  35           HA       LYS  35 -20.143   2.877   0.149
  675   1HB   LYS  35          1HB       LYS  35 -17.726   4.414  -0.597
  676   2HB   LYS  35          2HB       LYS  35 -18.959   5.304   0.287
  677   1HG   LYS  35          1HG       LYS  35 -18.905   3.407   1.974
  678   2HG   LYS  35          2HG       LYS  35 -17.434   2.872   1.159
  679   1HD   LYS  35          1HD       LYS  35 -16.629   5.300   1.504
  680   2HD   LYS  35          2HD       LYS  35 -17.930   5.401   2.693
  681   1HE   LYS  35          1HE       LYS  35 -16.980   3.700   4.022
  682   2HE   LYS  35          2HE       LYS  35 -15.876   3.208   2.740
  683   1HZ   LYS  35          1HZ       LYS  35 -14.797   5.411   2.968
  684   2HZ   LYS  35          2HZ       LYS  35 -15.774   5.722   4.313
  685   3HZ   LYS  35          3HZ       LYS  35 -14.662   4.448   4.353
  686    H    GLN  36           H        GLN  36 -19.573   4.534  -2.900
  687    HA   GLN  36           HA       GLN  36 -21.694   6.434  -2.509
  688   1HB   GLN  36          1HB       GLN  36 -19.509   6.339  -4.150
  689   2HB   GLN  36          2HB       GLN  36 -20.802   5.928  -5.266
  690   1HG   GLN  36          1HG       GLN  36 -21.989   7.970  -4.647
  691   2HG   GLN  36          2HG       GLN  36 -20.689   8.384  -3.531
  692   2HE2  GLN  36          2HE2      GLN  36 -18.476   8.431  -4.572
  693   1HE2  GLN  36          1HE2      GLN  36 -18.369   9.190  -6.120
  694    H    SER  37           H        SER  37 -21.348   3.273  -3.925
  695    HA   SER  37           HA       SER  37 -23.863   3.355  -5.325
  696   1HB   SER  37          1HB       SER  37 -23.429   0.980  -5.796
  697   2HB   SER  37          2HB       SER  37 -22.007   1.961  -6.148
  698    HG   SER  37           HG       SER  37 -22.286  -0.076  -4.401
  699    H    GLU  38           H        GLU  38 -22.743   2.454  -2.171
  700    HA   GLU  38           HA       GLU  38 -25.050   0.880  -1.492
  701   1HB   GLU  38          1HB       GLU  38 -22.516   1.572  -0.272
  702   2HB   GLU  38          2HB       GLU  38 -23.834   1.731   0.882
  703   1HG   GLU  38          1HG       GLU  38 -24.417  -0.659  -0.269
  704   2HG   GLU  38          2HG       GLU  38 -22.654  -0.663  -0.320
  705    H    ASP  39           H        ASP  39 -24.180   4.228  -1.396
  706    HA   ASP  39           HA       ASP  39 -26.130   5.021   0.541
  707   1HB   ASP  39          1HB       ASP  39 -23.985   6.249  -0.846
  708   2HB   ASP  39          2HB       ASP  39 -25.436   7.177  -1.216
  709    H    ASP  40           H        ASP  40 -26.101   4.534  -2.903
  710    HA   ASP  40           HA       ASP  40 -28.849   5.581  -3.068
  711   1HB   ASP  40          1HB       ASP  40 -27.270   6.725  -4.558
  712   2HB   ASP  40          2HB       ASP  40 -26.823   5.182  -5.281
  713    H    ASP  41           H        ASP  41 -30.380   4.087  -3.114
  714    HA   ASP  41           HA       ASP  41 -29.923   1.337  -3.317
  715   1HB   ASP  41          1HB       ASP  41 -32.140   3.040  -2.846
  716   2HB   ASP  41          2HB       ASP  41 -32.602   1.937  -4.138

  No H/Q in entry =         716
  Start of MODEL   21
    1    H1   ALA   1           H1       ALA   1 -30.553   8.680   3.750
    2    H2   ALA   1           H2       ALA   1 -30.017   9.744   2.514
    3    H3   ALA   1           H3       ALA   1 -31.654   9.239   2.558
    4    HA   ALA   1           HA       ALA   1 -31.248   7.281   1.668
    5   1HB   ALA   1          1HB       ALA   1 -28.659   8.051   0.592
    6   2HB   ALA   1          2HB       ALA   1 -29.856   9.341   0.488
    7   3HB   ALA   1          3HB       ALA   1 -30.191   7.766  -0.234
    8    H    LEU   2           H        LEU   2 -30.894   6.146   3.728
    9    HA   LEU   2           HA       LEU   2 -28.123   5.477   4.341
   10   1HB   LEU   2          1HB       LEU   2 -30.753   5.041   5.697
   11   2HB   LEU   2          2HB       LEU   2 -29.393   4.017   6.116
   12    HG   LEU   2           HG       LEU   2 -28.563   6.764   6.171
   13   1HD1  LEU   2          1HD1      LEU   2 -31.200   6.154   7.375
   14   2HD1  LEU   2          2HD1      LEU   2 -30.073   7.124   8.323
   15   3HD1  LEU   2          3HD1      LEU   2 -30.572   7.667   6.721
   16   1HD2  LEU   2          1HD2      LEU   2 -27.743   4.601   7.367
   17   2HD2  LEU   2          2HD2      LEU   2 -27.632   6.157   8.190
   18   3HD2  LEU   2          3HD2      LEU   2 -28.942   5.044   8.582
   19    H    LYS   3           H        LYS   3 -27.152   3.700   3.608
   20    HA   LYS   3           HA       LYS   3 -28.791   1.714   2.212
   21   1HB   LYS   3          1HB       LYS   3 -25.873   2.435   2.053
   22   2HB   LYS   3          2HB       LYS   3 -26.509   0.966   1.326
   23   1HG   LYS   3          1HG       LYS   3 -26.302   2.831  -0.272
   24   2HG   LYS   3          2HG       LYS   3 -27.957   2.240  -0.110
   25   1HD   LYS   3          1HD       LYS   3 -28.552   4.097   1.284
   26   2HD   LYS   3          2HD       LYS   3 -26.872   4.630   1.373
   27   1HE   LYS   3          1HE       LYS   3 -27.837   4.372  -1.361
   28   2HE   LYS   3          2HE       LYS   3 -28.774   5.525  -0.412
   29   1HZ   LYS   3          1HZ       LYS   3 -26.045   5.931   0.103
   30   2HZ   LYS   3          2HZ       LYS   3 -26.267   5.895  -1.574
   31   3HZ   LYS   3          3HZ       LYS   3 -27.146   6.987  -0.628
   32    H    LYS   4           H        LYS   4 -26.264   1.965   4.677
   33    HA   LYS   4           HA       LYS   4 -25.741   0.613   6.432
   34   1HB   LYS   4          1HB       LYS   4 -28.431  -0.199   5.759
   35   2HB   LYS   4          2HB       LYS   4 -27.487  -1.578   6.304
   36   1HG   LYS   4          1HG       LYS   4 -28.055   0.972   7.789
   37   2HG   LYS   4          2HG       LYS   4 -28.546  -0.668   8.212
   38   1HD   LYS   4          1HD       LYS   4 -25.840  -0.933   8.081
   39   2HD   LYS   4          2HD       LYS   4 -26.001   0.722   8.674
   40   1HE   LYS   4          1HE       LYS   4 -25.865  -0.824  10.536
   41   2HE   LYS   4          2HE       LYS   4 -27.462  -0.081  10.477
   42   1HZ   LYS   4          1HZ       LYS   4 -27.528  -2.430   8.956
   43   2HZ   LYS   4          2HZ       LYS   4 -26.817  -2.802  10.446
   44   3HZ   LYS   4          3HZ       LYS   4 -28.351  -2.091  10.396
   45    H    HIS   5           H        HIS   5 -27.051  -1.964   4.368
   46    HA   HIS   5           HA       HIS   5 -25.018  -3.756   4.630
   47   1HB   HIS   5          1HB       HIS   5 -25.790  -4.823   2.629
   48   2HB   HIS   5          2HB       HIS   5 -27.196  -4.112   3.414
   49    HD1  HIS   5           HD1      HIS   5 -25.117  -3.907   0.340
   50    HD2  HIS   5           HD2      HIS   5 -28.344  -1.919   2.043
   51    HE1  HIS   5           HE1      HIS   5 -26.075  -2.480  -1.497
   52    HE2  HIS   5           HE2      HIS   5 -28.026  -1.286  -0.444
   53    H    HIS   6           H        HIS   6 -25.103  -0.918   2.600
   54    HA   HIS   6           HA       HIS   6 -22.830  -1.523   1.019
   55   1HB   HIS   6          1HB       HIS   6 -24.523   0.841   1.530
   56   2HB   HIS   6          2HB       HIS   6 -22.861   1.209   1.078
   57    HD1  HIS   6           HD1      HIS   6 -26.056  -0.132  -0.269
   58    HD2  HIS   6           HD2      HIS   6 -22.149   0.463  -1.554
   59    HE1  HIS   6           HE1      HIS   6 -26.120  -0.421  -2.766
   60    HE2  HIS   6           HE2      HIS   6 -23.744  -0.054  -3.524
   61    H    GLU   7           H        GLU   7 -23.232   0.468   3.945
   62    HA   GLU   7           HA       GLU   7 -20.562   1.188   4.273
   63   1HB   GLU   7          1HB       GLU   7 -22.957   1.480   5.719
   64   2HB   GLU   7          2HB       GLU   7 -21.827   0.705   6.821
   65   1HG   GLU   7          1HG       GLU   7 -20.200   2.502   6.354
   66   2HG   GLU   7          2HG       GLU   7 -21.412   3.296   5.349
   67    H    ASN   8           H        ASN   8 -22.159  -1.836   4.745
   68    HA   ASN   8           HA       ASN   8 -20.326  -2.992   6.584
   69   1HB   ASN   8          1HB       ASN   8 -22.762  -3.730   5.518
   70   2HB   ASN   8          2HB       ASN   8 -21.648  -4.865   4.761
   71   2HD2  ASN   8          2HD2      ASN   8 -23.648  -4.503   7.274
   72   1HD2  ASN   8          1HD2      ASN   8 -22.898  -5.550   8.425
   73    H    GLU   9           H        GLU   9 -20.804  -3.651   3.094
   74    HA   GLU   9           HA       GLU   9 -18.307  -5.003   2.844
   75   1HB   GLU   9          1HB       GLU   9 -20.217  -3.846   0.814
   76   2HB   GLU   9          2HB       GLU   9 -18.740  -4.681   0.356
   77   1HG   GLU   9          1HG       GLU   9 -20.679  -6.149   0.245
   78   2HG   GLU   9          2HG       GLU   9 -19.514  -6.703   1.447
   79    H    ILE  10           H        ILE  10 -19.093  -1.744   3.118
   80    HA   ILE  10           HA       ILE  10 -16.905  -0.708   1.546
   81    HB   ILE  10           HB       ILE  10 -19.051   0.537   3.257
   82   1HG1  ILE  10          1HG1      ILE  10 -18.433   1.058   0.360
   83   2HG1  ILE  10          2HG1      ILE  10 -19.427  -0.307   0.863
   84   1HG2  ILE  10          1HG2      ILE  10 -16.492   1.691   2.676
   85   2HG2  ILE  10          2HG2      ILE  10 -17.771   2.603   1.875
   86   3HG2  ILE  10          3HG2      ILE  10 -17.833   2.344   3.617
   87   1HD1  ILE  10          1HD1      ILE  10 -20.759   1.543   2.152
   88   2HD1  ILE  10          2HD1      ILE  10 -20.011   2.604   0.957
   89   3HD1  ILE  10          3HD1      ILE  10 -21.026   1.261   0.431
   90    H    SER  11           H        SER  11 -17.670  -1.505   4.847
   91    HA   SER  11           HA       SER  11 -15.409  -0.132   5.979
   92   1HB   SER  11          1HB       SER  11 -17.317  -0.426   7.409
   93   2HB   SER  11          2HB       SER  11 -17.350  -2.163   7.103
   94    HG   SER  11           HG       SER  11 -15.754  -0.689   8.816
   95    H    HIS  12           H        HIS  12 -16.155  -3.295   4.731
   96    HA   HIS  12           HA       HIS  12 -13.833  -4.576   5.799
   97   1HB   HIS  12          1HB       HIS  12 -15.192  -6.301   5.316
   98   2HB   HIS  12          2HB       HIS  12 -16.176  -5.317   4.246
   99    HD1  HIS  12           HD1      HIS  12 -13.081  -7.497   4.184
  100    HD2  HIS  12           HD2      HIS  12 -15.873  -5.847   1.590
  101    HE1  HIS  12           HE1      HIS  12 -12.618  -8.548   1.946
  102    HE2  HIS  12           HE2      HIS  12 -14.323  -7.538   0.388
  103    H    HIS  13           H        HIS  13 -14.711  -3.260   2.588
  104    HA   HIS  13           HA       HIS  13 -12.218  -3.850   1.384
  105   1HB   HIS  13          1HB       HIS  13 -14.137  -1.614   0.685
  106   2HB   HIS  13          2HB       HIS  13 -12.847  -2.236  -0.338
  107    HD1  HIS  13           HD1      HIS  13 -13.544  -5.300   0.282
  108    HD2  HIS  13           HD2      HIS  13 -16.147  -2.353  -1.052
  109    HE1  HIS  13           HE1      HIS  13 -15.411  -6.529  -0.873
  110    HE2  HIS  13           HE2      HIS  13 -16.980  -4.725  -1.673
  111    H    ALA  14           H        ALA  14 -13.371  -1.260   3.406
  112    HA   ALA  14           HA       ALA  14 -11.303   0.602   2.918
  113   1HB   ALA  14          1HB       ALA  14 -12.831   0.300   5.497
  114   2HB   ALA  14          2HB       ALA  14 -12.083   1.758   4.844
  115   3HB   ALA  14          3HB       ALA  14 -13.502   1.068   4.058
  116    H    LYS  15           H        LYS  15 -11.675  -2.067   5.186
  117    HA   LYS  15           HA       LYS  15  -9.256  -1.550   6.607
  118   1HB   LYS  15          1HB       LYS  15 -11.198  -3.823   6.467
  119   2HB   LYS  15          2HB       LYS  15  -9.632  -4.081   7.225
  120   1HG   LYS  15          1HG       LYS  15 -10.063  -2.465   8.891
  121   2HG   LYS  15          2HG       LYS  15 -11.474  -1.848   8.028
  122   1HD   LYS  15          1HD       LYS  15 -12.723  -3.815   8.489
  123   2HD   LYS  15          2HD       LYS  15 -11.291  -4.669   9.066
  124   1HE   LYS  15          1HE       LYS  15 -11.210  -2.687  10.793
  125   2HE   LYS  15          2HE       LYS  15 -12.927  -2.572  10.410
  126   1HZ   LYS  15          1HZ       LYS  15 -11.569  -5.046  11.335
  127   2HZ   LYS  15          2HZ       LYS  15 -12.464  -4.009  12.330
  128   3HZ   LYS  15          3HZ       LYS  15 -13.228  -4.847  11.075
  129    H    GLU  16           H        GLU  16 -10.055  -3.121   3.638
  130    HA   GLU  16           HA       GLU  16  -7.709  -4.752   3.470
  131   1HB   GLU  16          1HB       GLU  16 -10.057  -4.193   1.829
  132   2HB   GLU  16          2HB       GLU  16  -8.592  -4.373   0.872
  133   1HG   GLU  16          1HG       GLU  16  -8.826  -6.563   1.004
  134   2HG   GLU  16          2HG       GLU  16  -8.555  -6.460   2.743
  135    H    ILE  17           H        ILE  17  -8.643  -1.574   2.197
  136    HA   ILE  17           HA       ILE  17  -6.203  -1.215   0.734
  137    HB   ILE  17           HB       ILE  17  -8.154  -0.035  -0.022
  138   1HG1  ILE  17          1HG1      ILE  17  -6.041   1.781   1.147
  139   2HG1  ILE  17          2HG1      ILE  17  -6.138   1.154  -0.494
  140   1HG2  ILE  17          1HG2      ILE  17  -8.227   1.139   2.745
  141   2HG2  ILE  17          2HG2      ILE  17  -9.132   1.810   1.387
  142   3HG2  ILE  17          3HG2      ILE  17  -9.458   0.168   1.936
  143   1HD1  ILE  17          1HD1      ILE  17  -8.321   2.486  -0.654
  144   2HD1  ILE  17          2HD1      ILE  17  -7.748   3.320   0.790
  145   3HD1  ILE  17          3HD1      ILE  17  -6.794   3.366  -0.692
  146    H    GLU  18           H        GLU  18  -7.356  -0.384   3.940
  147    HA   GLU  18           HA       GLU  18  -5.135   1.318   4.567
  148   1HB   GLU  18          1HB       GLU  18  -7.442   1.397   5.641
  149   2HB   GLU  18          2HB       GLU  18  -6.972  -0.042   6.537
  150   1HG   GLU  18          1HG       GLU  18  -5.363   2.488   6.608
  151   2HG   GLU  18          2HG       GLU  18  -6.707   2.186   7.708
  152    H    ARG  19           H        ARG  19  -5.867  -2.072   4.817
  153    HA   ARG  19           HA       ARG  19  -3.774  -2.718   6.650
  154   1HB   ARG  19          1HB       ARG  19  -5.670  -4.198   6.471
  155   2HB   ARG  19          2HB       ARG  19  -5.392  -4.421   4.750
  156   1HG   ARG  19          1HG       ARG  19  -3.598  -5.823   5.081
  157   2HG   ARG  19          2HG       ARG  19  -3.262  -5.184   6.692
  158   1HD   ARG  19          1HD       ARG  19  -4.207  -7.177   7.270
  159   2HD   ARG  19          2HD       ARG  19  -5.660  -6.181   7.192
  160    HE   ARG  19           HE       ARG  19  -6.358  -7.413   5.396
  161   1HH1  ARG  19          1HH1      ARG  19  -2.956  -7.962   5.894
  162   2HH1  ARG  19          2HH1      ARG  19  -2.856  -9.230   4.718
  163   1HH2  ARG  19          1HH2      ARG  19  -6.238  -9.082   3.845
  164   2HH2  ARG  19          2HH2      ARG  19  -4.722  -9.865   3.552
  165    H    LEU  20           H        LEU  20  -4.135  -2.862   3.119
  166    HA   LEU  20           HA       LEU  20  -1.588  -3.998   2.632
  167   1HB   LEU  20          1HB       LEU  20  -3.263  -2.262   0.814
  168   2HB   LEU  20          2HB       LEU  20  -1.930  -3.287   0.318
  169    HG   LEU  20           HG       LEU  20  -4.285  -4.508   1.701
  170   1HD1  LEU  20          1HD1      LEU  20  -4.167  -3.515  -1.121
  171   2HD1  LEU  20          2HD1      LEU  20  -5.133  -4.926  -0.694
  172   3HD1  LEU  20          3HD1      LEU  20  -5.469  -3.367   0.060
  173   1HD2  LEU  20          1HD2      LEU  20  -1.929  -5.383   0.244
  174   2HD2  LEU  20          2HD2      LEU  20  -2.979  -6.279   1.340
  175   3HD2  LEU  20          3HD2      LEU  20  -3.413  -6.117  -0.362
  176    H    GLN  21           H        GLN  21  -2.759  -0.722   3.030
  177    HA   GLN  21           HA       GLN  21  -0.489   0.649   2.091
  178   1HB   GLN  21          1HB       GLN  21  -2.720   1.679   2.541
  179   2HB   GLN  21          2HB       GLN  21  -2.395   1.536   4.263
  180   1HG   GLN  21          1HG       GLN  21  -1.332   3.469   4.240
  181   2HG   GLN  21          2HG       GLN  21  -0.187   2.844   3.054
  182   2HE2  GLN  21          2HE2      GLN  21  -3.650   3.555   2.841
  183   1HE2  GLN  21          1HE2      GLN  21  -3.518   4.676   1.534
  184    H    LYS  22           H        LYS  22  -1.375  -0.519   5.323
  185    HA   LYS  22           HA       LYS  22   0.789   0.554   6.731
  186   1HB   LYS  22          1HB       LYS  22  -1.217  -1.541   7.171
  187   2HB   LYS  22          2HB       LYS  22   0.299  -1.828   8.014
  188   1HG   LYS  22          1HG       LYS  22   0.042  -0.032   9.388
  189   2HG   LYS  22          2HG       LYS  22  -0.902   0.877   8.207
  190   1HD   LYS  22          1HD       LYS  22  -2.250   0.147  10.141
  191   2HD   LYS  22          2HD       LYS  22  -2.833  -0.524   8.617
  192   1HE   LYS  22          1HE       LYS  22  -2.887  -2.339  10.078
  193   2HE   LYS  22          2HE       LYS  22  -1.381  -2.561   9.188
  194   1HZ   LYS  22          1HZ       LYS  22  -0.489  -1.144  11.227
  195   2HZ   LYS  22          2HZ       LYS  22  -1.801  -1.890  11.992
  196   3HZ   LYS  22          3HZ       LYS  22  -0.594  -2.832  11.274
  197    H    GLU  23           H        GLU  23   0.439  -2.581   5.103
  198    HA   GLU  23           HA       GLU  23   2.919  -3.664   5.786
  199   1HB   GLU  23          1HB       GLU  23   0.796  -4.568   4.396
  200   2HB   GLU  23          2HB       GLU  23   1.895  -4.237   3.065
  201   1HG   GLU  23          1HG       GLU  23   3.343  -5.885   3.661
  202   2HG   GLU  23          2HG       GLU  23   2.947  -5.766   5.376
  203    H    ILE  24           H        ILE  24   2.010  -1.614   3.036
  204    HA   ILE  24           HA       ILE  24   4.524  -1.689   1.765
  205    HB   ILE  24           HB       ILE  24   3.741  -0.153   0.263
  206   1HG1  ILE  24          1HG1      ILE  24   1.698   1.421   1.201
  207   2HG1  ILE  24          2HG1      ILE  24   2.737   1.298   2.616
  208   1HG2  ILE  24          1HG2      ILE  24   1.903  -1.985   1.116
  209   2HG2  ILE  24          2HG2      ILE  24   0.974  -0.487   1.095
  210   3HG2  ILE  24          3HG2      ILE  24   1.801  -1.032  -0.362
  211   1HD1  ILE  24          1HD1      ILE  24   4.309   1.809   0.275
  212   2HD1  ILE  24          2HD1      ILE  24   3.024   3.008   0.434
  213   3HD1  ILE  24          3HD1      ILE  24   4.162   2.754   1.758
  214    H    GLU  25           H        GLU  25   3.262   0.186   4.409
  215    HA   GLU  25           HA       GLU  25   5.175   2.240   4.481
  216   1HB   GLU  25          1HB       GLU  25   3.010   2.099   5.800
  217   2HB   GLU  25          2HB       GLU  25   3.845   1.003   6.892
  218   1HG   GLU  25          1HG       GLU  25   5.278   2.665   7.664
  219   2HG   GLU  25          2HG       GLU  25   4.952   3.715   6.285
  220    H    ARG  26           H        ARG  26   5.086  -0.950   6.029
  221    HA   ARG  26           HA       ARG  26   7.467  -0.759   7.475
  222   1HB   ARG  26          1HB       ARG  26   5.704  -2.601   7.574
  223   2HB   ARG  26          2HB       ARG  26   6.482  -3.287   6.154
  224   1HG   ARG  26          1HG       ARG  26   8.632  -3.229   7.556
  225   2HG   ARG  26          2HG       ARG  26   7.552  -3.013   8.935
  226   1HD   ARG  26          1HD       ARG  26   6.626  -5.141   7.226
  227   2HD   ARG  26          2HD       ARG  26   8.296  -5.417   7.720
  228    HE   ARG  26           HE       ARG  26   5.952  -5.488   9.393
  229   1HH1  ARG  26          1HH1      ARG  26   9.411  -5.098   9.296
  230   2HH1  ARG  26          2HH1      ARG  26   9.642  -5.576  10.945
  231   1HH2  ARG  26          1HH2      ARG  26   6.244  -6.119  11.565
  232   2HH2  ARG  26          2HH2      ARG  26   7.840  -6.157  12.235
  233    H    HIS  27           H        HIS  27   6.883  -1.974   4.183
  234    HA   HIS  27           HA       HIS  27   9.583  -2.562   3.601
  235   1HB   HIS  27          1HB       HIS  27   7.070  -2.632   2.228
  236   2HB   HIS  27          2HB       HIS  27   8.257  -1.837   1.199
  237    HD1  HIS  27           HD1      HIS  27  10.612  -3.301   1.000
  238    HD2  HIS  27           HD2      HIS  27   7.131  -5.325   2.025
  239    HE1  HIS  27           HE1      HIS  27  11.070  -5.722   0.500
  240    HE2  HIS  27           HE2      HIS  27   8.951  -6.930   1.128
  241    H    LYS  28           H        LYS  28   7.812   0.393   3.717
  242    HA   LYS  28           HA       LYS  28   9.570   1.890   2.013
  243   1HB   LYS  28          1HB       LYS  28   7.138   2.440   2.480
  244   2HB   LYS  28          2HB       LYS  28   7.651   2.982   4.071
  245   1HG   LYS  28          1HG       LYS  28   9.047   4.118   1.716
  246   2HG   LYS  28          2HG       LYS  28   7.392   4.644   2.032
  247   1HD   LYS  28          1HD       LYS  28   9.676   4.747   4.002
  248   2HD   LYS  28          2HD       LYS  28   9.040   6.121   3.096
  249   1HE   LYS  28          1HE       LYS  28   6.886   4.783   4.415
  250   2HE   LYS  28          2HE       LYS  28   8.164   5.111   5.584
  251   1HZ   LYS  28          1HZ       LYS  28   7.411   7.269   3.762
  252   2HZ   LYS  28          2HZ       LYS  28   6.325   6.883   5.000
  253   3HZ   LYS  28          3HZ       LYS  28   7.907   7.342   5.378
  254    H    GLN  29           H        GLN  29   9.377   1.134   5.410
  255    HA   GLN  29           HA       GLN  29  11.212   3.155   6.264
  256   1HB   GLN  29          1HB       GLN  29   9.624   2.256   7.849
  257   2HB   GLN  29          2HB       GLN  29  10.237   0.627   7.602
  258   1HG   GLN  29          1HG       GLN  29  12.387   2.334   8.386
  259   2HG   GLN  29          2HG       GLN  29  11.045   2.519   9.515
  260   2HE2  GLN  29          2HE2      GLN  29  10.959   1.125  11.119
  261   1HE2  GLN  29          1HE2      GLN  29  11.711  -0.430  11.160
  262    H    SER  30           H        SER  30  11.446  -0.217   5.302
  263    HA   SER  30           HA       SER  30  14.192  -0.504   6.042
  264   1HB   SER  30          1HB       SER  30  12.222  -2.142   4.492
  265   2HB   SER  30          2HB       SER  30  13.938  -2.531   4.378
  266    HG   SER  30           HG       SER  30  12.271  -3.228   6.280
  267    H    ILE  31           H        ILE  31  12.479   0.171   3.011
  268    HA   ILE  31           HA       ILE  31  14.892   0.253   1.462
  269    HB   ILE  31           HB       ILE  31  12.651  -0.336   0.544
  270   1HG1  ILE  31          1HG1      ILE  31  14.794   0.895  -0.647
  271   2HG1  ILE  31          2HG1      ILE  31  13.455   0.148  -1.499
  272   1HG2  ILE  31          1HG2      ILE  31  11.467   1.518   1.765
  273   2HG2  ILE  31          2HG2      ILE  31  12.085   2.615   0.529
  274   3HG2  ILE  31          3HG2      ILE  31  11.007   1.294   0.077
  275   1HD1  ILE  31          1HD1      ILE  31  13.500   3.057  -0.753
  276   2HD1  ILE  31          2HD1      ILE  31  14.122   2.432  -2.281
  277   3HD1  ILE  31          3HD1      ILE  31  12.416   2.238  -1.878
  278    H    LYS  32           H        LYS  32  13.157   2.490   3.419
  279    HA   LYS  32           HA       LYS  32  14.287   4.842   2.168
  280   1HB   LYS  32          1HB       LYS  32  12.065   4.999   3.148
  281   2HB   LYS  32          2HB       LYS  32  12.690   4.494   4.713
  282   1HG   LYS  32          1HG       LYS  32  14.242   6.627   4.316
  283   2HG   LYS  32          2HG       LYS  32  12.838   7.117   3.365
  284   1HD   LYS  32          1HD       LYS  32  12.787   6.238   6.252
  285   2HD   LYS  32          2HD       LYS  32  12.689   7.906   5.684
  286   1HE   LYS  32          1HE       LYS  32  10.716   6.588   4.255
  287   2HE   LYS  32          2HE       LYS  32  10.621   5.878   5.865
  288   1HZ   LYS  32          1HZ       LYS  32  10.904   8.696   6.024
  289   2HZ   LYS  32          2HZ       LYS  32   9.579   8.297   5.051
  290   3HZ   LYS  32          3HZ       LYS  32   9.672   7.711   6.636
  291    H    LYS  33           H        LYS  33  14.984   2.696   4.810
  292    HA   LYS  33           HA       LYS  33  16.866   4.433   6.105
  293   1HB   LYS  33          1HB       LYS  33  16.018   1.584   6.415
  294   2HB   LYS  33          2HB       LYS  33  17.543   2.089   7.130
  295   1HG   LYS  33          1HG       LYS  33  15.253   3.844   7.692
  296   2HG   LYS  33          2HG       LYS  33  15.158   2.222   8.380
  297   1HD   LYS  33          1HD       LYS  33  17.420   4.187   8.742
  298   2HD   LYS  33          2HD       LYS  33  16.206   3.757   9.950
  299   1HE   LYS  33          1HE       LYS  33  17.147   1.309   9.310
  300   2HE   LYS  33          2HE       LYS  33  18.593   2.282   9.044
  301   1HZ   LYS  33          1HZ       LYS  33  17.680   3.209  11.408
  302   2HZ   LYS  33          2HZ       LYS  33  17.292   1.566  11.509
  303   3HZ   LYS  33          3HZ       LYS  33  18.891   2.041  11.228
  304    H    LEU  34           H        LEU  34  17.026   1.770   3.796
  305    HA   LEU  34           HA       LEU  34  19.889   1.680   3.750
  306   1HB   LEU  34          1HB       LEU  34  17.669   0.374   2.285
  307   2HB   LEU  34          2HB       LEU  34  19.206   0.470   1.447
  308    HG   LEU  34           HG       LEU  34  19.105  -0.618   4.233
  309   1HD1  LEU  34          1HD1      LEU  34  18.436  -2.124   1.710
  310   2HD1  LEU  34          2HD1      LEU  34  18.824  -2.876   3.257
  311   3HD1  LEU  34          3HD1      LEU  34  17.388  -1.865   3.105
  312   1HD2  LEU  34          1HD2      LEU  34  20.876  -1.040   1.833
  313   2HD2  LEU  34          2HD2      LEU  34  21.286  -0.217   3.338
  314   3HD2  LEU  34          3HD2      LEU  34  21.005  -1.958   3.333
  315    H    LYS  35           H        LYS  35  17.380   3.236   1.839
  316    HA   LYS  35           HA       LYS  35  19.195   4.213  -0.160
  317   1HB   LYS  35          1HB       LYS  35  16.802   3.785  -0.630
  318   2HB   LYS  35          2HB       LYS  35  16.368   5.087   0.469
  319   1HG   LYS  35          1HG       LYS  35  18.047   6.401  -1.169
  320   2HG   LYS  35          2HG       LYS  35  17.404   5.195  -2.283
  321   1HD   LYS  35          1HD       LYS  35  15.796   6.775  -2.554
  322   2HD   LYS  35          2HD       LYS  35  15.117   5.966  -1.140
  323   1HE   LYS  35          1HE       LYS  35  16.315   7.627   0.290
  324   2HE   LYS  35          2HE       LYS  35  16.779   8.480  -1.182
  325   1HZ   LYS  35          1HZ       LYS  35  14.188   8.348  -1.579
  326   2HZ   LYS  35          2HZ       LYS  35  14.168   8.289   0.111
  327   3HZ   LYS  35          3HZ       LYS  35  14.889   9.598  -0.680
  328    H    GLN  36           H        GLN  36  18.034   5.297   2.916
  329    HA   GLN  36           HA       GLN  36  18.762   8.055   2.529
  330   1HB   GLN  36          1HB       GLN  36  16.962   7.520   4.060
  331   2HB   GLN  36          2HB       GLN  36  18.028   6.496   5.012
  332   1HG   GLN  36          1HG       GLN  36  18.537   8.228   6.280
  333   2HG   GLN  36          2HG       GLN  36  19.235   9.039   4.878
  334   2HE2  GLN  36          2HE2      GLN  36  18.592  11.081   5.290
  335   1HE2  GLN  36          1HE2      GLN  36  16.941  11.585   5.364
  336    H    SER  37           H        SER  37  20.260   5.169   3.798
  337    HA   SER  37           HA       SER  37  22.427   6.504   5.099
  338   1HB   SER  37          1HB       SER  37  21.821   3.658   4.370
  339   2HB   SER  37          2HB       SER  37  23.447   4.098   4.894
  340    HG   SER  37           HG       SER  37  21.251   4.948   6.415
  341    H    GLU  38           H        GLU  38  21.763   5.466   1.865
  342    HA   GLU  38           HA       GLU  38  24.471   5.424   0.956
  343   1HB   GLU  38          1HB       GLU  38  22.465   4.263  -0.115
  344   2HB   GLU  38          2HB       GLU  38  22.033   5.837  -0.767
  345   1HG   GLU  38          1HG       GLU  38  24.753   4.681  -1.222
  346   2HG   GLU  38          2HG       GLU  38  23.384   4.213  -2.228
  347    H    ASP  39           H        ASP  39  22.074   7.876   1.413
  348    HA   ASP  39           HA       ASP  39  23.889   9.844   0.179
  349   1HB   ASP  39          1HB       ASP  39  21.570   9.393  -0.922
  350   2HB   ASP  39          2HB       ASP  39  20.937  10.328   0.431
  351    H    ASP  40           H        ASP  40  23.701   8.824   2.962
  352    HA   ASP  40           HA       ASP  40  22.557  10.940   4.530
  353   1HB   ASP  40          1HB       ASP  40  23.175   8.350   5.068
  354   2HB   ASP  40          2HB       ASP  40  24.555   9.169   5.795
  355    H    ASP  41           H        ASP  41  23.945  12.054   6.217
  356    HA   ASP  41           HA       ASP  41  26.375  13.069   4.904
  357   1HB   ASP  41          1HB       ASP  41  24.219  14.504   5.689
  358   2HB   ASP  41          2HB       ASP  41  25.199  14.596   7.150
  359    H1   ALA   1           H1       ALA   1  30.711   8.692  -3.589
  360    H2   ALA   1           H2       ALA   1  30.171   9.729  -2.334
  361    H3   ALA   1           H3       ALA   1  31.768   9.109  -2.304
  362    HA   ALA   1           HA       ALA   1  31.166   7.130  -1.568
  363   1HB   ALA   1          1HB       ALA   1  29.786   9.260  -0.390
  364   2HB   ALA   1          2HB       ALA   1  28.617   7.944  -0.515
  365   3HB   ALA   1          3HB       ALA   1  30.146   7.688   0.325
  366    H    LEU   2           H        LEU   2  30.824   5.865  -3.426
  367    HA   LEU   2           HA       LEU   2  28.038   5.583  -4.308
  368   1HB   LEU   2          1HB       LEU   2  30.681   5.103  -5.576
  369   2HB   LEU   2          2HB       LEU   2  29.359   4.056  -6.055
  370    HG   LEU   2           HG       LEU   2  28.507   6.808  -6.111
  371   1HD1  LEU   2          1HD1      LEU   2  31.153   6.178  -7.292
  372   2HD1  LEU   2          2HD1      LEU   2  30.041   7.158  -8.246
  373   3HD1  LEU   2          3HD1      LEU   2  30.532   7.695  -6.640
  374   1HD2  LEU   2          1HD2      LEU   2  27.700   4.635  -7.310
  375   2HD2  LEU   2          2HD2      LEU   2  27.588   6.192  -8.130
  376   3HD2  LEU   2          3HD2      LEU   2  28.907   5.086  -8.516
  377    H    LYS   3           H        LYS   3  26.893   3.983  -3.480
  378    HA   LYS   3           HA       LYS   3  28.293   1.548  -2.583
  379   1HB   LYS   3          1HB       LYS   3  25.717   2.763  -1.566
  380   2HB   LYS   3          2HB       LYS   3  26.362   1.213  -1.049
  381   1HG   LYS   3          1HG       LYS   3  26.881   2.894   0.586
  382   2HG   LYS   3          2HG       LYS   3  28.367   2.356  -0.198
  383   1HD   LYS   3          1HD       LYS   3  28.681   4.350  -1.275
  384   2HD   LYS   3          2HD       LYS   3  26.954   4.711  -1.337
  385   1HE   LYS   3          1HE       LYS   3  27.978   4.585   1.381
  386   2HE   LYS   3          2HE       LYS   3  28.795   5.807   0.407
  387   1HZ   LYS   3          1HZ       LYS   3  26.042   5.967  -0.089
  388   2HZ   LYS   3          2HZ       LYS   3  26.267   5.948   1.588
  389   3HZ   LYS   3          3HZ       LYS   3  27.044   7.116   0.643
  390    H    LYS   4           H        LYS   4  28.090   0.939  -4.883
  391    HA   LYS   4           HA       LYS   4  25.842   0.613  -6.368
  392   1HB   LYS   4          1HB       LYS   4  28.436  -0.733  -6.200
  393   2HB   LYS   4          2HB       LYS   4  27.169  -1.736  -6.892
  394   1HG   LYS   4          1HG       LYS   4  27.858   1.031  -7.853
  395   2HG   LYS   4          2HG       LYS   4  28.475  -0.462  -8.563
  396   1HD   LYS   4          1HD       LYS   4  25.669  -0.728  -8.360
  397   2HD   LYS   4          2HD       LYS   4  25.995   0.865  -9.049
  398   1HE   LYS   4          1HE       LYS   4  25.764  -0.900 -10.763
  399   2HE   LYS   4          2HE       LYS   4  27.341  -0.112 -10.791
  400   1HZ   LYS   4          1HZ       LYS   4  27.445  -2.333  -9.067
  401   2HZ   LYS   4          2HZ       LYS   4  26.796  -2.830 -10.548
  402   3HZ   LYS   4          3HZ       LYS   4  28.305  -2.067 -10.500
  403    H    HIS   5           H        HIS   5  27.112  -1.984  -4.263
  404    HA   HIS   5           HA       HIS   5  25.061  -3.778  -4.549
  405   1HB   HIS   5          1HB       HIS   5  25.780  -4.802  -2.516
  406   2HB   HIS   5          2HB       HIS   5  27.210  -4.130  -3.290
  407    HD1  HIS   5           HD1      HIS   5  25.108  -3.866  -0.247
  408    HD2  HIS   5           HD2      HIS   5  28.339  -1.892  -1.959
  409    HE1  HIS   5           HE1      HIS   5  26.057  -2.420   1.578
  410    HE2  HIS   5           HE2      HIS   5  28.012  -1.234   0.520
  411    H    HIS   6           H        HIS   6  25.141  -0.913  -2.516
  412    HA   HIS   6           HA       HIS   6  22.823  -1.499  -1.010
  413   1HB   HIS   6          1HB       HIS   6  24.505   0.877  -1.488
  414   2HB   HIS   6          2HB       HIS   6  22.835   1.225  -1.062
  415    HD1  HIS   6           HD1      HIS   6  26.016  -0.113   0.328
  416    HD2  HIS   6           HD2      HIS   6  22.096   0.495   1.561
  417    HE1  HIS   6           HE1      HIS   6  26.046  -0.401   2.824
  418    HE2  HIS   6           HE2      HIS   6  23.663  -0.027   3.551
  419    H    GLU   7           H        GLU   7  23.256   0.459  -3.959
  420    HA   GLU   7           HA       GLU   7  20.585   1.184  -4.291
  421   1HB   GLU   7          1HB       GLU   7  22.982   1.471  -5.736
  422   2HB   GLU   7          2HB       GLU   7  21.850   0.699  -6.838
  423   1HG   GLU   7          1HG       GLU   7  20.224   2.498  -6.368
  424   2HG   GLU   7          2HG       GLU   7  21.438   3.290  -5.364
  425    H    ASN   8           H        ASN   8  22.172  -1.844  -4.745
  426    HA   ASN   8           HA       ASN   8  20.335  -2.996  -6.585
  427   1HB   ASN   8          1HB       ASN   8  22.769  -3.743  -5.512
  428   2HB   ASN   8          2HB       ASN   8  21.646  -4.878  -4.768
  429   2HD2  ASN   8          2HD2      ASN   8  23.646  -4.479  -7.290
  430   1HD2  ASN   8          1HD2      ASN   8  22.902  -5.529  -8.442
  431    H    GLU   9           H        GLU   9  20.813  -3.646  -3.093
  432    HA   GLU   9           HA       GLU   9  18.313  -4.991  -2.841
  433   1HB   GLU   9          1HB       GLU   9  20.219  -3.831  -0.811
  434   2HB   GLU   9          2HB       GLU   9  18.742  -4.668  -0.355
  435   1HG   GLU   9          1HG       GLU   9  20.691  -6.128  -0.241
  436   2HG   GLU   9          2HG       GLU   9  19.519  -6.690  -1.433
  437    H    ILE  10           H        ILE  10  19.106  -1.734  -3.120
  438    HA   ILE  10           HA       ILE  10  16.918  -0.694  -1.552
  439    HB   ILE  10           HB       ILE  10  19.072   0.543  -3.258
  440   1HG1  ILE  10          1HG1      ILE  10  18.425   1.075  -0.369
  441   2HG1  ILE  10          2HG1      ILE  10  19.433  -0.282  -0.861
  442   1HG2  ILE  10          1HG2      ILE  10  16.510   1.708  -2.697
  443   2HG2  ILE  10          2HG2      ILE  10  17.794   2.626  -1.909
  444   3HG2  ILE  10          3HG2      ILE  10  17.852   2.344  -3.649
  445   1HD1  ILE  10          1HD1      ILE  10  20.776   1.558  -2.132
  446   2HD1  ILE  10          2HD1      ILE  10  19.992   2.636  -0.977
  447   3HD1  ILE  10          3HD1      ILE  10  21.005   1.313  -0.400
  448    H    SER  11           H        SER  11  17.682  -1.481  -4.860
  449    HA   SER  11           HA       SER  11  15.417  -0.109  -5.985
  450   1HB   SER  11          1HB       SER  11  17.320  -0.406  -7.420
  451   2HB   SER  11          2HB       SER  11  17.351  -2.143  -7.115
  452    HG   SER  11           HG       SER  11  15.740  -0.663  -8.814
  453    H    HIS  12           H        HIS  12  16.160  -3.279  -4.746
  454    HA   HIS  12           HA       HIS  12  13.835  -4.552  -5.812
  455   1HB   HIS  12          1HB       HIS  12  15.190  -6.280  -5.331
  456   2HB   HIS  12          2HB       HIS  12  16.176  -5.300  -4.261
  457    HD1  HIS  12           HD1      HIS  12  13.078  -7.475  -4.199
  458    HD2  HIS  12           HD2      HIS  12  15.872  -5.830  -1.605
  459    HE1  HIS  12           HE1      HIS  12  12.615  -8.528  -1.962
  460    HE2  HIS  12           HE2      HIS  12  14.321  -7.521  -0.405
  461    H    HIS  13           H        HIS  13  14.713  -3.242  -2.595
  462    HA   HIS  13           HA       HIS  13  12.219  -3.837  -1.396
  463   1HB   HIS  13          1HB       HIS  13  14.131  -1.598  -0.690
  464   2HB   HIS  13          2HB       HIS  13  12.842  -2.223   0.330
  465    HD1  HIS  13           HD1      HIS  13  13.545  -5.285  -0.296
  466    HD2  HIS  13           HD2      HIS  13  16.141  -2.337   1.046
  467    HE1  HIS  13           HE1      HIS  13  15.415  -6.513   0.856
  468    HE2  HIS  13           HE2      HIS  13  16.979  -4.708   1.660
  469    H    ALA  14           H        ALA  14  13.367  -1.237  -3.409
  470    HA   ALA  14           HA       ALA  14  11.292   0.618  -2.919
  471   1HB   ALA  14          1HB       ALA  14  13.493   1.085  -4.062
  472   2HB   ALA  14          2HB       ALA  14  12.814   0.327  -5.502
  473   3HB   ALA  14          3HB       ALA  14  12.070   1.781  -4.838
  474    H    LYS  15           H        LYS  15  11.669  -2.044  -5.198
  475    HA   LYS  15           HA       LYS  15   9.247  -1.529  -6.615
  476   1HB   LYS  15          1HB       LYS  15  11.192  -3.801  -6.478
  477   2HB   LYS  15          2HB       LYS  15   9.625  -4.060  -7.232
  478   1HG   LYS  15          1HG       LYS  15  10.051  -2.442  -8.899
  479   2HG   LYS  15          2HG       LYS  15  11.463  -1.825  -8.038
  480   1HD   LYS  15          1HD       LYS  15  12.713  -3.791  -8.502
  481   2HD   LYS  15          2HD       LYS  15  11.279  -4.644  -9.079
  482   1HE   LYS  15          1HE       LYS  15  11.197  -2.660 -10.803
  483   2HE   LYS  15          2HE       LYS  15  12.914  -2.544 -10.420
  484   1HZ   LYS  15          1HZ       LYS  15  11.557  -5.016 -11.350
  485   2HZ   LYS  15          2HZ       LYS  15  12.451  -3.977 -12.343
  486   3HZ   LYS  15          3HZ       LYS  15  13.215  -4.817 -11.089
  487    H    GLU  16           H        GLU  16  10.049  -3.108  -3.648
  488    HA   GLU  16           HA       GLU  16   7.705  -4.738  -3.482
  489   1HB   GLU  16          1HB       GLU  16  10.051  -4.181  -1.840
  490   2HB   GLU  16          2HB       GLU  16   8.586  -4.362  -0.884
  491   1HG   GLU  16          1HG       GLU  16   8.820  -6.552  -1.016
  492   2HG   GLU  16          2HG       GLU  16   8.549  -6.447  -2.756
  493    H    ILE  17           H        ILE  17   8.635  -1.564  -2.199
  494    HA   ILE  17           HA       ILE  17   6.192  -1.211  -0.738
  495    HB   ILE  17           HB       ILE  17   8.141  -0.030   0.021
  496   1HG1  ILE  17          1HG1      ILE  17   6.026   1.786  -1.144
  497   2HG1  ILE  17          2HG1      ILE  17   6.124   1.155   0.496
  498   1HG2  ILE  17          1HG2      ILE  17   8.213   1.150  -2.742
  499   2HG2  ILE  17          2HG2      ILE  17   9.115   1.820  -1.384
  500   3HG2  ILE  17          3HG2      ILE  17   9.446   0.180  -1.935
  501   1HD1  ILE  17          1HD1      ILE  17   8.306   2.490   0.660
  502   2HD1  ILE  17          2HD1      ILE  17   7.731   3.326  -0.782
  503   3HD1  ILE  17          3HD1      ILE  17   6.777   3.368   0.700
  504    H    GLU  18           H        GLU  18   7.344  -0.371  -3.943
  505    HA   GLU  18           HA       GLU  18   5.121   1.330  -4.565
  506   1HB   GLU  18          1HB       GLU  18   7.427   1.411  -5.640
  507   2HB   GLU  18          2HB       GLU  18   6.958  -0.026  -6.538
  508   1HG   GLU  18          1HG       GLU  18   5.348   2.504  -6.603
  509   2HG   GLU  18          2HG       GLU  18   6.690   2.206  -7.704
  510    H    ARG  19           H        ARG  19   5.855  -2.060  -4.821
  511    HA   ARG  19           HA       ARG  19   3.761  -2.703  -6.654
  512   1HB   ARG  19          1HB       ARG  19   5.658  -4.182  -6.478
  513   2HB   ARG  19          2HB       ARG  19   5.380  -4.410  -4.756
  514   1HG   ARG  19          1HG       ARG  19   3.586  -5.812  -5.092
  515   2HG   ARG  19          2HG       ARG  19   3.250  -5.169  -6.701
  516   1HD   ARG  19          1HD       ARG  19   4.196  -7.159  -7.285
  517   2HD   ARG  19          2HD       ARG  19   5.648  -6.164  -7.204
  518    HE   ARG  19           HE       ARG  19   6.347  -7.399  -5.412
  519   1HH1  ARG  19          1HH1      ARG  19   2.946  -7.949  -5.910
  520   2HH1  ARG  19          2HH1      ARG  19   2.846  -9.220  -4.738
  521   1HH2  ARG  19          1HH2      ARG  19   6.229  -9.071  -3.865
  522   2HH2  ARG  19          2HH2      ARG  19   4.713  -9.858  -3.574
  523    H    LEU  20           H        LEU  20   4.123  -2.856  -3.123
  524    HA   LEU  20           HA       LEU  20   1.577  -3.993  -2.638
  525   1HB   LEU  20          1HB       LEU  20   3.249  -2.259  -0.818
  526   2HB   LEU  20          2HB       LEU  20   1.918  -3.286  -0.323
  527    HG   LEU  20           HG       LEU  20   4.273  -4.503  -1.709
  528   1HD1  LEU  20          1HD1      LEU  20   4.156  -3.512   1.114
  529   2HD1  LEU  20          2HD1      LEU  20   5.121  -4.924   0.686
  530   3HD1  LEU  20          3HD1      LEU  20   5.458  -3.366  -0.067
  531   1HD2  LEU  20          1HD2      LEU  20   1.918  -5.382  -0.251
  532   2HD2  LEU  20          2HD2      LEU  20   2.969  -6.275  -1.349
  533   3HD2  LEU  20          3HD2      LEU  20   3.404  -6.116   0.353
  534    H    GLN  21           H        GLN  21   2.746  -0.715  -3.029
  535    HA   GLN  21           HA       GLN  21   0.474   0.652  -2.089
  536   1HB   GLN  21          1HB       GLN  21   2.705   1.685  -2.537
  537   2HB   GLN  21          2HB       GLN  21   2.381   1.545  -4.259
  538   1HG   GLN  21          1HG       GLN  21   1.316   3.476  -4.233
  539   2HG   GLN  21          2HG       GLN  21   0.171   2.849  -3.049
  540   2HE2  GLN  21          2HE2      GLN  21   3.634   3.563  -2.833
  541   1HE2  GLN  21          1HE2      GLN  21   3.499   4.680  -1.522
  542    H    LYS  22           H        LYS  22   1.361  -0.508  -5.323
  543    HA   LYS  22           HA       LYS  22  -0.805   0.566  -6.729
  544   1HB   LYS  22          1HB       LYS  22   1.203  -1.526  -7.174
  545   2HB   LYS  22          2HB       LYS  22  -0.314  -1.814  -8.017
  546   1HG   LYS  22          1HG       LYS  22  -0.057  -0.014  -9.388
  547   2HG   LYS  22          2HG       LYS  22   0.886   0.893  -8.204
  548   1HD   LYS  22          1HD       LYS  22   2.233   0.168 -10.141
  549   2HD   LYS  22          2HD       LYS  22   2.816  -0.506  -8.617
  550   1HE   LYS  22          1HE       LYS  22   2.872  -2.318 -10.083
  551   2HE   LYS  22          2HE       LYS  22   1.367  -2.542  -9.194
  552   1HZ   LYS  22          1HZ       LYS  22   0.473  -1.122 -11.229
  553   2HZ   LYS  22          2HZ       LYS  22   1.786  -1.865 -11.996
  554   3HZ   LYS  22          3HZ       LYS  22   0.579  -2.809 -11.279
  555    H    GLU  23           H        GLU  23  -0.453  -2.573  -5.109
  556    HA   GLU  23           HA       GLU  23  -2.931  -3.654  -5.792
  557   1HB   GLU  23          1HB       GLU  23  -0.809  -4.560  -4.403
  558   2HB   GLU  23          2HB       GLU  23  -1.909  -4.232  -3.072
  559   1HG   GLU  23          1HG       GLU  23  -3.356  -5.881  -3.673
  560   2HG   GLU  23          2HG       GLU  23  -2.960  -5.758  -5.386
  561    H    ILE  24           H        ILE  24  -2.024  -1.611  -3.039
  562    HA   ILE  24           HA       ILE  24  -4.538  -1.689  -1.767
  563    HB   ILE  24           HB       ILE  24  -3.755  -0.154  -0.263
  564   1HG1  ILE  24          1HG1      ILE  24  -1.712   1.422  -1.200
  565   2HG1  ILE  24          2HG1      ILE  24  -2.753   1.301  -2.614
  566   1HG2  ILE  24          1HG2      ILE  24  -1.916  -1.984  -1.119
  567   2HG2  ILE  24          2HG2      ILE  24  -0.988  -0.485  -1.096
  568   3HG2  ILE  24          3HG2      ILE  24  -1.815  -1.034   0.360
  569   1HD1  ILE  24          1HD1      ILE  24  -4.324   1.807  -0.271
  570   2HD1  ILE  24          2HD1      ILE  24  -3.039   3.007  -0.427
  571   3HD1  ILE  24          3HD1      ILE  24  -4.176   2.757  -1.753
  572    H    GLU  25           H        GLU  25  -3.278   0.191  -4.408
  573    HA   GLU  25           HA       GLU  25  -5.193   2.244  -4.476
  574   1HB   GLU  25          1HB       GLU  25  -3.028   2.106  -5.796
  575   2HB   GLU  25          2HB       GLU  25  -3.863   1.013  -6.890
  576   1HG   GLU  25          1HG       GLU  25  -5.296   2.677  -7.658
  577   2HG   GLU  25          2HG       GLU  25  -4.972   3.723  -6.277
  578    H    ARG  26           H        ARG  26  -5.101  -0.943  -6.031
  579    HA   ARG  26           HA       ARG  26  -7.484  -0.752  -7.476
  580   1HB   ARG  26          1HB       ARG  26  -5.718  -2.591  -7.578
  581   2HB   ARG  26          2HB       ARG  26  -6.496  -3.281  -6.160
  582   1HG   ARG  26          1HG       ARG  26  -8.647  -3.222  -7.562
  583   2HG   ARG  26          2HG       ARG  26  -7.567  -3.001  -8.940
  584   1HD   ARG  26          1HD       ARG  26  -6.639  -5.133  -7.236
  585   2HD   ARG  26          2HD       ARG  26  -8.309  -5.410  -7.730
  586    HE   ARG  26           HE       ARG  26  -5.965  -5.474  -9.404
  587   1HH1  ARG  26          1HH1      ARG  26  -9.424  -5.086  -9.305
  588   2HH1  ARG  26          2HH1      ARG  26  -9.655  -5.562 -10.956
  589   1HH2  ARG  26          1HH2      ARG  26  -6.256  -6.101 -11.577
  590   2HH2  ARG  26          2HH2      ARG  26  -7.853  -6.139 -12.247
  591    H    HIS  27           H        HIS  27  -6.897  -1.971  -4.186
  592    HA   HIS  27           HA       HIS  27  -9.597  -2.562  -3.606
  593   1HB   HIS  27          1HB       HIS  27  -7.084  -2.635  -2.233
  594   2HB   HIS  27          2HB       HIS  27  -8.271  -1.842  -1.202
  595    HD1  HIS  27           HD1      HIS  27 -10.625  -3.306  -1.006
  596    HD2  HIS  27           HD2      HIS  27  -7.143  -5.327  -2.034
  597    HE1  HIS  27           HE1      HIS  27 -11.083  -5.730  -0.511
  598    HE2  HIS  27           HE2      HIS  27  -8.962  -6.936  -1.141
  599    H    LYS  28           H        LYS  28  -7.828   0.394  -3.715
  600    HA   LYS  28           HA       LYS  28  -9.585   1.887  -2.007
  601   1HB   LYS  28          1HB       LYS  28  -7.156   2.439  -2.475
  602   2HB   LYS  28          2HB       LYS  28  -7.668   2.984  -4.065
  603   1HG   LYS  28          1HG       LYS  28  -9.065   4.116  -1.707
  604   2HG   LYS  28          2HG       LYS  28  -7.411   4.642  -2.023
  605   1HD   LYS  28          1HD       LYS  28  -9.695   4.746  -3.993
  606   2HD   LYS  28          2HD       LYS  28  -9.060   6.119  -3.083
  607   1HE   LYS  28          1HE       LYS  28  -6.906   4.785  -4.406
  608   2HE   LYS  28          2HE       LYS  28  -8.184   5.117  -5.574
  609   1HZ   LYS  28          1HZ       LYS  28  -7.431   7.270  -3.747
  610   2HZ   LYS  28          2HZ       LYS  28  -6.343   6.887  -4.984
  611   3HZ   LYS  28          3HZ       LYS  28  -7.927   7.347  -5.363
  612    H    GLN  29           H        GLN  29  -9.394   1.137  -5.406
  613    HA   GLN  29           HA       GLN  29 -11.230   3.159  -6.256
  614   1HB   GLN  29          1HB       GLN  29  -9.642   2.262  -7.844
  615   2HB   GLN  29          2HB       GLN  29 -10.255   0.632  -7.599
  616   1HG   GLN  29          1HG       GLN  29 -12.405   2.340  -8.379
  617   2HG   GLN  29          2HG       GLN  29 -11.065   2.529  -9.508
  618   2HE2  GLN  29          2HE2      GLN  29 -10.977   1.139 -11.115
  619   1HE2  GLN  29          1HE2      GLN  29 -11.727  -0.416 -11.161
  620    H    SER  30           H        SER  30 -11.461  -0.216  -5.302
  621    HA   SER  30           HA       SER  30 -14.208  -0.503  -6.041
  622   1HB   SER  30          1HB       SER  30 -12.237  -2.144  -4.495
  623   2HB   SER  30          2HB       SER  30 -13.953  -2.534  -4.382
  624    HG   SER  30           HG       SER  30 -12.286  -3.226  -6.285
  625    H    ILE  31           H        ILE  31 -12.494   0.167  -3.009
  626    HA   ILE  31           HA       ILE  31 -14.905   0.244  -1.458
  627    HB   ILE  31           HB       ILE  31 -12.662  -0.346  -0.542
  628   1HG1  ILE  31          1HG1      ILE  31 -14.807   0.882   0.652
  629   2HG1  ILE  31          2HG1      ILE  31 -13.466   0.135   1.502
  630   1HG2  ILE  31          1HG2      ILE  31 -11.482   1.513  -1.761
  631   2HG2  ILE  31          2HG2      ILE  31 -12.099   2.606  -0.523
  632   3HG2  ILE  31          3HG2      ILE  31 -11.020   1.285  -0.075
  633   1HD1  ILE  31          1HD1      ILE  31 -13.513   3.044   0.761
  634   2HD1  ILE  31          2HD1      ILE  31 -14.136   2.417   2.287
  635   3HD1  ILE  31          3HD1      ILE  31 -12.430   2.224   1.885
  636    H    LYS  32           H        LYS  32 -13.174   2.487  -3.413
  637    HA   LYS  32           HA       LYS  32 -14.304   4.834  -2.156
  638   1HB   LYS  32          1HB       LYS  32 -12.084   4.996  -3.136
  639   2HB   LYS  32          2HB       LYS  32 -12.707   4.492  -4.701
  640   1HG   LYS  32          1HG       LYS  32 -14.262   6.624  -4.302
  641   2HG   LYS  32          2HG       LYS  32 -12.860   7.114  -3.350
  642   1HD   LYS  32          1HD       LYS  32 -12.807   6.241  -6.238
  643   2HD   LYS  32          2HD       LYS  32 -12.711   7.907  -5.667
  644   1HE   LYS  32          1HE       LYS  32 -10.736   6.588  -4.239
  645   2HE   LYS  32          2HE       LYS  32 -10.641   5.882  -5.852
  646   1HZ   LYS  32          1HZ       LYS  32 -10.927   8.699  -6.004
  647   2HZ   LYS  32          2HZ       LYS  32  -9.602   8.300  -5.032
  648   3HZ   LYS  32          3HZ       LYS  32  -9.693   7.717  -6.617
  649    H    LYS  33           H        LYS  33 -15.003   2.693  -4.800
  650    HA   LYS  33           HA       LYS  33 -16.887   4.431  -6.090
  651   1HB   LYS  33          1HB       LYS  33 -16.038   1.584  -6.408
  652   2HB   LYS  33          2HB       LYS  33 -17.563   2.091  -7.122
  653   1HG   LYS  33          1HG       LYS  33 -15.273   3.847  -7.679
  654   2HG   LYS  33          2HG       LYS  33 -15.178   2.226  -8.371
  655   1HD   LYS  33          1HD       LYS  33 -17.440   4.190  -8.730
  656   2HD   LYS  33          2HD       LYS  33 -16.226   3.764  -9.938
  657   1HE   LYS  33          1HE       LYS  33 -17.164   1.315  -9.305
  658   2HE   LYS  33          2HE       LYS  33 -18.611   2.286  -9.036
  659   1HZ   LYS  33          1HZ       LYS  33 -17.699   3.220 -11.398
  660   2HZ   LYS  33          2HZ       LYS  33 -17.310   1.577 -11.504
  661   3HZ   LYS  33          3HZ       LYS  33 -18.909   2.049 -11.222
  662    H    LEU  34           H        LEU  34 -17.044   1.763  -3.788
  663    HA   LEU  34           HA       LEU  34 -19.905   1.671  -3.740
  664   1HB   LEU  34          1HB       LEU  34 -17.683   0.363  -2.280
  665   2HB   LEU  34          2HB       LEU  34 -19.220   0.456  -1.441
  666    HG   LEU  34           HG       LEU  34 -19.119  -0.625  -4.231
  667   1HD1  LEU  34          1HD1      LEU  34 -18.449  -2.135  -1.712
  668   2HD1  LEU  34          2HD1      LEU  34 -18.837  -2.885  -3.260
  669   3HD1  LEU  34          3HD1      LEU  34 -17.401  -1.874  -3.105
  670   1HD2  LEU  34          1HD2      LEU  34 -20.889  -1.052  -1.832
  671   2HD2  LEU  34          2HD2      LEU  34 -21.300  -0.227  -3.335
  672   3HD2  LEU  34          3HD2      LEU  34 -21.018  -1.968  -3.333
  673    H    LYS  35           H        LYS  35 -17.396   3.227  -1.829
  674    HA   LYS  35           HA       LYS  35 -19.210   4.198   0.174
  675   1HB   LYS  35          1HB       LYS  35 -16.815   3.770   0.640
  676   2HB   LYS  35          2HB       LYS  35 -16.385   5.077  -0.455
  677   1HG   LYS  35          1HG       LYS  35 -18.065   6.383   1.187
  678   2HG   LYS  35          2HG       LYS  35 -17.418   5.174   2.298
  679   1HD   LYS  35          1HD       LYS  35 -15.813   6.757   2.571
  680   2HD   LYS  35          2HD       LYS  35 -15.134   5.952   1.155
  681   1HE   LYS  35          1HE       LYS  35 -16.334   7.613  -0.270
  682   2HE   LYS  35          2HE       LYS  35 -16.799   8.464   1.203
  683   1HZ   LYS  35          1HZ       LYS  35 -14.208   8.335   1.599
  684   2HZ   LYS  35          2HZ       LYS  35 -14.188   8.279  -0.092
  685   3HZ   LYS  35          3HZ       LYS  35 -14.911   9.585   0.702
  686    H    GLN  36           H        GLN  36 -18.043   5.294  -2.897
  687    HA   GLN  36           HA       GLN  36 -18.781   8.048  -2.505
  688   1HB   GLN  36          1HB       GLN  36 -16.976   7.525  -4.033
  689   2HB   GLN  36          2HB       GLN  36 -18.034   6.495  -4.988
  690   1HG   GLN  36          1HG       GLN  36 -18.553   8.225  -6.255
  691   2HG   GLN  36          2HG       GLN  36 -19.253   9.034  -4.853
  692   2HE2  GLN  36          2HE2      GLN  36 -18.615  11.079  -5.263
  693   1HE2  GLN  36          1HE2      GLN  36 -16.966  11.587  -5.339
  694    H    SER  37           H        SER  37 -20.270   5.158  -3.772
  695    HA   SER  37           HA       SER  37 -22.436   6.487  -5.082
  696   1HB   SER  37          1HB       SER  37 -22.025   3.617  -4.224
  697   2HB   SER  37          2HB       SER  37 -23.453   4.172  -5.099
  698    HG   SER  37           HG       SER  37 -21.680   5.075  -6.592
  699    H    GLU  38           H        GLU  38 -21.776   5.455  -1.845
  700    HA   GLU  38           HA       GLU  38 -24.488   5.406  -0.945
  701   1HB   GLU  38          1HB       GLU  38 -22.484   4.245   0.131
  702   2HB   GLU  38          2HB       GLU  38 -22.055   5.820   0.786
  703   1HG   GLU  38          1HG       GLU  38 -24.777   4.663   1.231
  704   2HG   GLU  38          2HG       GLU  38 -23.410   4.191   2.240
  705    H    ASP  39           H        ASP  39 -22.090   7.861  -1.387
  706    HA   ASP  39           HA       ASP  39 -23.911   9.825  -0.157
  707   1HB   ASP  39          1HB       ASP  39 -21.593   9.374   0.947
  708   2HB   ASP  39          2HB       ASP  39 -20.958  10.312  -0.403
  709    H    ASP  40           H        ASP  40 -23.729   8.813  -2.938
  710    HA   ASP  40           HA       ASP  40 -22.582  10.931  -4.504
  711   1HB   ASP  40          1HB       ASP  40 -23.198   8.342  -5.046
  712   2HB   ASP  40          2HB       ASP  40 -24.579   9.160  -5.771
  713    H    ASP  41           H        ASP  41 -23.970  12.049  -6.187
  714    HA   ASP  41           HA       ASP  41 -26.401  13.058  -4.873
  715   1HB   ASP  41          1HB       ASP  41 -24.246  14.497  -5.655
  716   2HB   ASP  41          2HB       ASP  41 -25.226  14.592  -7.115

  No H/Q in entry =         716
  Start of MODEL   22
    1    H1   ALA   1           H1       ALA   1 -35.907   2.081   3.650
    2    H2   ALA   1           H2       ALA   1 -36.394   3.727   3.664
    3    H3   ALA   1           H3       ALA   1 -37.134   2.620   2.582
    4    HA   ALA   1           HA       ALA   1 -35.181   2.366   1.359
    5   1HB   ALA   1          1HB       ALA   1 -36.686   4.435   1.106
    6   2HB   ALA   1          2HB       ALA   1 -35.354   5.317   1.854
    7   3HB   ALA   1          3HB       ALA   1 -35.099   4.455   0.335
    8    H    LEU   2           H        LEU   2 -33.765   1.423   3.127
    9    HA   LEU   2           HA       LEU   2 -31.569   3.306   3.680
   10   1HB   LEU   2          1HB       LEU   2 -32.731   1.184   5.471
   11   2HB   LEU   2          2HB       LEU   2 -31.130   1.852   5.729
   12    HG   LEU   2           HG       LEU   2 -33.063   3.975   5.456
   13   1HD1  LEU   2          1HD1      LEU   2 -34.579   2.162   6.294
   14   2HD1  LEU   2          2HD1      LEU   2 -33.580   2.092   7.746
   15   3HD1  LEU   2          3HD1      LEU   2 -34.449   3.574   7.343
   16   1HD2  LEU   2          1HD2      LEU   2 -30.839   4.170   6.468
   17   2HD2  LEU   2          2HD2      LEU   2 -32.113   4.660   7.586
   18   3HD2  LEU   2          3HD2      LEU   2 -31.339   3.085   7.765
   19    H    LYS   3           H        LYS   3 -29.482   2.522   3.462
   20    HA   LYS   3           HA       LYS   3 -29.244  -0.180   2.311
   21   1HB   LYS   3          1HB       LYS   3 -28.008   2.412   1.428
   22   2HB   LYS   3          2HB       LYS   3 -27.245   0.875   1.044
   23   1HG   LYS   3          1HG       LYS   3 -29.215   0.155  -0.157
   24   2HG   LYS   3          2HG       LYS   3 -30.060   1.637   0.295
   25   1HD   LYS   3          1HD       LYS   3 -27.602   1.421  -1.441
   26   2HD   LYS   3          2HD       LYS   3 -29.236   1.825  -1.973
   27   1HE   LYS   3          1HE       LYS   3 -28.905   3.707  -0.095
   28   2HE   LYS   3          2HE       LYS   3 -27.222   3.481  -0.572
   29   1HZ   LYS   3          1HZ       LYS   3 -28.275   3.670  -2.954
   30   2HZ   LYS   3          2HZ       LYS   3 -29.469   4.536  -2.123
   31   3HZ   LYS   3          3HZ       LYS   3 -27.858   5.050  -2.069
   32    H    LYS   4           H        LYS   4 -28.716  -0.950   4.424
   33    HA   LYS   4           HA       LYS   4 -26.366   0.077   5.752
   34   1HB   LYS   4          1HB       LYS   4 -28.222  -2.229   6.328
   35   2HB   LYS   4          2HB       LYS   4 -26.789  -1.902   7.294
   36   1HG   LYS   4          1HG       LYS   4 -27.681  -0.031   8.243
   37   2HG   LYS   4          2HG       LYS   4 -28.714   0.315   6.854
   38   1HD   LYS   4          1HD       LYS   4 -30.350  -1.159   7.532
   39   2HD   LYS   4          2HD       LYS   4 -29.223  -2.141   8.470
   40   1HE   LYS   4          1HE       LYS   4 -29.164   0.383   9.659
   41   2HE   LYS   4          2HE       LYS   4 -30.864   0.080   9.306
   42   1HZ   LYS   4          1HZ       LYS   4 -29.880  -2.275  10.347
   43   2HZ   LYS   4          2HZ       LYS   4 -29.230  -1.056  11.324
   44   3HZ   LYS   4          3HZ       LYS   4 -30.905  -1.171  11.117
   45    H    HIS   5           H        HIS   5 -27.212  -2.605   3.675
   46    HA   HIS   5           HA       HIS   5 -25.086  -4.321   4.070
   47   1HB   HIS   5          1HB       HIS   5 -25.388  -4.813   1.546
   48   2HB   HIS   5          2HB       HIS   5 -26.745  -5.109   2.627
   49    HD1  HIS   5           HD1      HIS   5 -28.867  -3.791   2.226
   50    HD2  HIS   5           HD2      HIS   5 -25.682  -2.496  -0.109
   51    HE1  HIS   5           HE1      HIS   5 -29.860  -2.183   0.567
   52    HE2  HIS   5           HE2      HIS   5 -27.915  -1.409  -0.836
   53    H    HIS   6           H        HIS   6 -25.190  -1.290   2.306
   54    HA   HIS   6           HA       HIS   6 -22.754  -1.529   0.930
   55   1HB   HIS   6          1HB       HIS   6 -24.660   0.596   1.544
   56   2HB   HIS   6          2HB       HIS   6 -22.998   1.177   1.501
   57    HD1  HIS   6           HD1      HIS   6 -23.687  -1.623  -0.780
   58    HD2  HIS   6           HD2      HIS   6 -23.794   2.529  -0.917
   59    HE1  HIS   6           HE1      HIS   6 -23.788  -1.034  -3.223
   60    HE2  HIS   6           HE2      HIS   6 -23.852   1.484  -3.283
   61    H    GLU   7           H        GLU   7 -23.449   0.118   4.016
   62    HA   GLU   7           HA       GLU   7 -20.868   0.858   4.666
   63   1HB   GLU   7          1HB       GLU   7 -23.149   1.302   5.866
   64   2HB   GLU   7          2HB       GLU   7 -22.734  -0.134   6.791
   65   1HG   GLU   7          1HG       GLU   7 -20.703   0.898   7.570
   66   2HG   GLU   7          2HG       GLU   7 -20.991   2.306   6.549
   67    H    ASN   8           H        ASN   8 -22.301  -2.285   4.638
   68    HA   ASN   8           HA       ASN   8 -20.506  -3.556   6.444
   69   1HB   ASN   8          1HB       ASN   8 -22.790  -4.297   4.957
   70   2HB   ASN   8          2HB       ASN   8 -21.494  -5.371   4.437
   71   2HD2  ASN   8          2HD2      ASN   8 -23.176  -6.825   5.513
   72   1HD2  ASN   8          1HD2      ASN   8 -22.909  -7.175   7.182
   73    H    GLU   9           H        GLU   9 -20.729  -3.734   2.877
   74    HA   GLU   9           HA       GLU   9 -18.146  -4.918   2.616
   75   1HB   GLU   9          1HB       GLU   9 -20.158  -3.769   0.725
   76   2HB   GLU   9          2HB       GLU   9 -18.526  -4.079   0.149
   77   1HG   GLU   9          1HG       GLU   9 -20.182  -5.909  -0.260
   78   2HG   GLU   9          2HG       GLU   9 -18.710  -6.394   0.581
   79    H    ILE  10           H        ILE  10 -19.103  -1.789   3.331
   80    HA   ILE  10           HA       ILE  10 -16.902  -0.449   2.014
   81    HB   ILE  10           HB       ILE  10 -19.243   0.452   3.681
   82   1HG1  ILE  10          1HG1      ILE  10 -18.325   1.194   0.902
   83   2HG1  ILE  10          2HG1      ILE  10 -19.568   0.004   1.279
   84   1HG2  ILE  10          1HG2      ILE  10 -16.717   1.814   3.526
   85   2HG2  ILE  10          2HG2      ILE  10 -17.989   2.767   2.762
   86   3HG2  ILE  10          3HG2      ILE  10 -18.170   2.234   4.432
   87   1HD1  ILE  10          1HD1      ILE  10 -20.204   2.459   2.580
   88   2HD1  ILE  10          2HD1      ILE  10 -19.868   2.767   0.877
   89   3HD1  ILE  10          3HD1      ILE  10 -21.100   1.592   1.333
   90    H    SER  11           H        SER  11 -17.822  -1.675   5.146
   91    HA   SER  11           HA       SER  11 -15.681  -0.350   6.549
   92   1HB   SER  11          1HB       SER  11 -16.428  -1.570   8.491
   93   2HB   SER  11          2HB       SER  11 -17.860  -1.002   7.633
   94    HG   SER  11           HG       SER  11 -17.792  -3.293   8.361
   95    H    HIS  12           H        HIS  12 -16.231  -3.369   4.917
   96    HA   HIS  12           HA       HIS  12 -13.894  -4.647   5.997
   97   1HB   HIS  12          1HB       HIS  12 -15.230  -6.364   5.398
   98   2HB   HIS  12          2HB       HIS  12 -16.153  -5.373   4.283
   99    HD1  HIS  12           HD1      HIS  12 -13.164  -7.649   4.427
  100    HD2  HIS  12           HD2      HIS  12 -15.474  -5.636   1.624
  101    HE1  HIS  12           HE1      HIS  12 -12.461  -8.571   2.194
  102    HE2  HIS  12           HE2      HIS  12 -13.875  -7.341   0.509
  103    H    HIS  13           H        HIS  13 -14.774  -3.181   2.842
  104    HA   HIS  13           HA       HIS  13 -12.191  -3.566   1.719
  105   1HB   HIS  13          1HB       HIS  13 -14.288  -1.511   0.993
  106   2HB   HIS  13          2HB       HIS  13 -12.870  -1.909   0.033
  107    HD1  HIS  13           HD1      HIS  13 -13.209  -5.066   0.425
  108    HD2  HIS  13           HD2      HIS  13 -16.079  -2.372  -0.888
  109    HE1  HIS  13           HE1      HIS  13 -14.840  -6.431  -0.919
  110    HE2  HIS  13           HE2      HIS  13 -16.576  -4.780  -1.705
  111    H    ALA  14           H        ALA  14 -13.563  -1.223   3.873
  112    HA   ALA  14           HA       ALA  14 -11.694   0.865   3.464
  113   1HB   ALA  14          1HB       ALA  14 -13.665   0.169   5.587
  114   2HB   ALA  14          2HB       ALA  14 -12.430   1.376   5.944
  115   3HB   ALA  14          3HB       ALA  14 -13.540   1.623   4.595
  116    H    LYS  15           H        LYS  15 -11.887  -1.751   5.865
  117    HA   LYS  15           HA       LYS  15  -9.411  -1.123   7.107
  118   1HB   LYS  15          1HB       LYS  15 -11.422  -2.609   7.920
  119   2HB   LYS  15          2HB       LYS  15 -10.538  -3.897   7.112
  120   1HG   LYS  15          1HG       LYS  15  -8.624  -3.542   8.519
  121   2HG   LYS  15          2HG       LYS  15  -9.380  -2.126   9.252
  122   1HD   LYS  15          1HD       LYS  15 -11.179  -3.576  10.122
  123   2HD   LYS  15          2HD       LYS  15 -10.348  -4.978   9.445
  124   1HE   LYS  15          1HE       LYS  15  -8.820  -5.021  11.094
  125   2HE   LYS  15          2HE       LYS  15  -8.674  -3.265  11.137
  126   1HZ   LYS  15          1HZ       LYS  15 -11.191  -4.266  12.125
  127   2HZ   LYS  15          2HZ       LYS  15  -9.856  -4.759  13.037
  128   3HZ   LYS  15          3HZ       LYS  15 -10.148  -3.112  12.791
  129    H    GLU  16           H        GLU  16 -10.247  -2.717   4.182
  130    HA   GLU  16           HA       GLU  16  -7.875  -4.318   3.990
  131   1HB   GLU  16          1HB       GLU  16 -10.195  -3.701   2.228
  132   2HB   GLU  16          2HB       GLU  16  -8.726  -4.297   1.469
  133   1HG   GLU  16          1HG       GLU  16  -9.880  -5.743   3.809
  134   2HG   GLU  16          2HG       GLU  16 -10.578  -5.956   2.204
  135    H    ILE  17           H        ILE  17  -8.910  -1.159   2.753
  136    HA   ILE  17           HA       ILE  17  -6.530  -0.827   1.160
  137    HB   ILE  17           HB       ILE  17  -8.555   0.269   0.437
  138   1HG1  ILE  17          1HG1      ILE  17  -6.233   1.359   0.167
  139   2HG1  ILE  17          2HG1      ILE  17  -7.650   2.352  -0.145
  140   1HG2  ILE  17          1HG2      ILE  17  -8.619   1.208   3.222
  141   2HG2  ILE  17          2HG2      ILE  17  -9.107   2.393   2.009
  142   3HG2  ILE  17          3HG2      ILE  17  -9.939   0.841   2.111
  143   1HD1  ILE  17          1HD1      ILE  17  -6.936   2.595   2.604
  144   2HD1  ILE  17          2HD1      ILE  17  -5.510   2.868   1.602
  145   3HD1  ILE  17          3HD1      ILE  17  -6.966   3.831   1.346
  146    H    GLU  18           H        GLU  18  -7.527  -0.090   4.404
  147    HA   GLU  18           HA       GLU  18  -5.366   1.757   4.893
  148   1HB   GLU  18          1HB       GLU  18  -7.702   0.763   6.351
  149   2HB   GLU  18          2HB       GLU  18  -6.281   0.951   7.370
  150   1HG   GLU  18          1HG       GLU  18  -6.073   3.273   6.678
  151   2HG   GLU  18          2HG       GLU  18  -7.472   3.091   5.620
  152    H    ARG  19           H        ARG  19  -6.037  -1.647   5.388
  153    HA   ARG  19           HA       ARG  19  -3.747  -2.143   7.027
  154   1HB   ARG  19          1HB       ARG  19  -5.694  -3.888   5.545
  155   2HB   ARG  19          2HB       ARG  19  -4.253  -4.580   6.279
  156   1HG   ARG  19          1HG       ARG  19  -6.137  -2.880   7.869
  157   2HG   ARG  19          2HG       ARG  19  -6.436  -4.601   7.617
  158   1HD   ARG  19          1HD       ARG  19  -3.833  -4.632   8.377
  159   2HD   ARG  19          2HD       ARG  19  -4.433  -3.250   9.293
  160    HE   ARG  19           HE       ARG  19  -5.578  -4.697  10.636
  161   1HH1  ARG  19          1HH1      ARG  19  -4.731  -6.338   7.686
  162   2HH1  ARG  19          2HH1      ARG  19  -5.287  -7.884   8.232
  163   1HH2  ARG  19          1HH2      ARG  19  -6.316  -6.728  11.368
  164   2HH2  ARG  19          2HH2      ARG  19  -6.189  -8.106  10.326
  165    H    LEU  20           H        LEU  20  -4.484  -2.395   3.585
  166    HA   LEU  20           HA       LEU  20  -2.050  -3.627   2.830
  167   1HB   LEU  20          1HB       LEU  20  -4.406  -2.904   1.559
  168   2HB   LEU  20          2HB       LEU  20  -3.205  -1.871   0.813
  169    HG   LEU  20           HG       LEU  20  -3.293  -3.758  -0.567
  170   1HD1  LEU  20          1HD1      LEU  20  -0.974  -3.167   0.809
  171   2HD1  LEU  20          2HD1      LEU  20  -1.088  -4.924   0.912
  172   3HD1  LEU  20          3HD1      LEU  20  -1.102  -4.129  -0.662
  173   1HD2  LEU  20          1HD2      LEU  20  -4.578  -5.110   1.145
  174   2HD2  LEU  20          2HD2      LEU  20  -3.438  -6.005   0.139
  175   3HD2  LEU  20          3HD2      LEU  20  -3.012  -5.591   1.800
  176    H    GLN  21           H        GLN  21  -3.106  -0.265   3.092
  177    HA   GLN  21           HA       GLN  21  -0.846   0.949   1.959
  178   1HB   GLN  21          1HB       GLN  21  -3.154   1.933   2.752
  179   2HB   GLN  21          2HB       GLN  21  -2.283   2.228   4.250
  180   1HG   GLN  21          1HG       GLN  21  -0.665   3.587   3.091
  181   2HG   GLN  21          2HG       GLN  21  -1.420   3.217   1.542
  182   2HE2  GLN  21          2HE2      GLN  21  -2.113   4.636   4.708
  183   1HE2  GLN  21          1HE2      GLN  21  -3.221   5.828   4.128
  184    H    LYS  22           H        LYS  22  -1.543  -0.040   5.286
  185    HA   LYS  22           HA       LYS  22   0.740   1.042   6.495
  186   1HB   LYS  22          1HB       LYS  22  -1.435  -0.301   7.399
  187   2HB   LYS  22          2HB       LYS  22  -0.211  -1.556   7.534
  188   1HG   LYS  22          1HG       LYS  22   1.063   0.588   8.635
  189   2HG   LYS  22          2HG       LYS  22  -0.611   0.859   9.124
  190   1HD   LYS  22          1HD       LYS  22   0.973  -1.673   9.560
  191   2HD   LYS  22          2HD       LYS  22   0.601  -0.461  10.788
  192   1HE   LYS  22          1HE       LYS  22  -1.851  -0.888  10.209
  193   2HE   LYS  22          2HE       LYS  22  -1.275  -2.326   9.366
  194   1HZ   LYS  22          1HZ       LYS  22  -0.249  -3.051  11.463
  195   2HZ   LYS  22          2HZ       LYS  22  -0.920  -1.711  12.249
  196   3HZ   LYS  22          3HZ       LYS  22  -1.928  -2.898  11.589
  197    H    GLU  23           H        GLU  23   0.196  -2.061   4.898
  198    HA   GLU  23           HA       GLU  23   2.648  -3.265   5.544
  199   1HB   GLU  23          1HB       GLU  23   0.499  -3.711   3.579
  200   2HB   GLU  23          2HB       GLU  23   2.073  -4.335   3.106
  201   1HG   GLU  23          1HG       GLU  23   2.062  -5.946   4.682
  202   2HG   GLU  23          2HG       GLU  23   1.201  -4.949   5.854
  203    H    ILE  24           H        ILE  24   1.705  -1.346   2.696
  204    HA   ILE  24           HA       ILE  24   4.157  -1.533   1.356
  205    HB   ILE  24           HB       ILE  24   3.390   0.006  -0.152
  206   1HG1  ILE  24          1HG1      ILE  24   1.593   1.799   0.672
  207   2HG1  ILE  24          2HG1      ILE  24   2.404   1.532   2.212
  208   1HG2  ILE  24          1HG2      ILE  24   1.620  -1.757   0.426
  209   2HG2  ILE  24          2HG2      ILE  24   0.724  -0.411   1.132
  210   3HG2  ILE  24          3HG2      ILE  24   1.147  -0.387  -0.578
  211   1HD1  ILE  24          1HD1      ILE  24   4.392   1.856   0.218
  212   2HD1  ILE  24          2HD1      ILE  24   3.214   3.160   0.050
  213   3HD1  ILE  24          3HD1      ILE  24   4.024   2.898   1.595
  214    H    GLU  25           H        GLU  25   3.059   0.598   3.908
  215    HA   GLU  25           HA       GLU  25   5.132   2.477   3.864
  216   1HB   GLU  25          1HB       GLU  25   2.928   2.434   5.240
  217   2HB   GLU  25          2HB       GLU  25   3.871   1.537   6.423
  218   1HG   GLU  25          1HG       GLU  25   4.682   3.425   7.228
  219   2HG   GLU  25          2HG       GLU  25   5.367   3.819   5.652
  220    H    ARG  26           H        ARG  26   4.848  -0.634   5.539
  221    HA   ARG  26           HA       ARG  26   7.206  -0.545   7.015
  222   1HB   ARG  26          1HB       ARG  26   5.784  -2.890   5.745
  223   2HB   ARG  26          2HB       ARG  26   7.136  -3.061   6.858
  224   1HG   ARG  26          1HG       ARG  26   5.737  -1.702   8.499
  225   2HG   ARG  26          2HG       ARG  26   4.383  -2.009   7.409
  226   1HD   ARG  26          1HD       ARG  26   5.644  -4.483   7.777
  227   2HD   ARG  26          2HD       ARG  26   5.582  -3.738   9.374
  228    HE   ARG  26           HE       ARG  26   3.071  -3.421   8.248
  229   1HH1  ARG  26          1HH1      ARG  26   5.154  -6.041   9.209
  230   2HH1  ARG  26          2HH1      ARG  26   3.848  -7.116   9.580
  231   1HH2  ARG  26          1HH2      ARG  26   1.343  -4.829   8.732
  232   2HH2  ARG  26          2HH2      ARG  26   1.681  -6.427   9.308
  233    H    HIS  27           H        HIS  27   6.641  -1.783   3.730
  234    HA   HIS  27           HA       HIS  27   9.320  -2.502   3.212
  235   1HB   HIS  27          1HB       HIS  27   6.833  -2.382   1.750
  236   2HB   HIS  27          2HB       HIS  27   8.151  -1.763   0.760
  237    HD1  HIS  27           HD1      HIS  27  10.372  -3.503   0.883
  238    HD2  HIS  27           HD2      HIS  27   6.564  -5.050   1.495
  239    HE1  HIS  27           HE1      HIS  27  10.573  -5.973   0.454
  240    HE2  HIS  27           HE2      HIS  27   8.257  -6.890   0.830
  241    H    LYS  28           H        LYS  28   7.644   0.525   3.179
  242    HA   LYS  28           HA       LYS  28   9.552   1.928   1.569
  243   1HB   LYS  28          1HB       LYS  28   7.060   2.507   2.037
  244   2HB   LYS  28          2HB       LYS  28   7.681   3.261   3.498
  245   1HG   LYS  28          1HG       LYS  28   9.313   4.214   1.453
  246   2HG   LYS  28          2HG       LYS  28   7.679   4.230   0.787
  247   1HD   LYS  28          1HD       LYS  28   8.389   5.392   3.474
  248   2HD   LYS  28          2HD       LYS  28   8.378   6.333   1.980
  249   1HE   LYS  28          1HE       LYS  28   6.024   5.831   1.655
  250   2HE   LYS  28          2HE       LYS  28   6.021   4.817   3.099
  251   1HZ   LYS  28          1HZ       LYS  28   6.985   7.481   3.577
  252   2HZ   LYS  28          2HZ       LYS  28   5.388   7.448   3.025
  253   3HZ   LYS  28          3HZ       LYS  28   5.818   6.588   4.415
  254    H    GLN  29           H        GLN  29   9.242   1.114   4.914
  255    HA   GLN  29           HA       GLN  29  11.028   3.127   5.899
  256   1HB   GLN  29          1HB       GLN  29   9.340   2.135   7.361
  257   2HB   GLN  29          2HB       GLN  29  10.067   0.548   7.154
  258   1HG   GLN  29          1HG       GLN  29  12.179   1.572   8.143
  259   2HG   GLN  29          2HG       GLN  29  11.152   2.921   8.628
  260   2HE2  GLN  29          2HE2      GLN  29  12.499   1.441  10.493
  261   1HE2  GLN  29          1HE2      GLN  29  11.376   0.515  11.424
  262    H    SER  30           H        SER  30  11.294  -0.266   4.967
  263    HA   SER  30           HA       SER  30  13.995  -0.586   5.785
  264   1HB   SER  30          1HB       SER  30  12.493  -2.140   3.665
  265   2HB   SER  30          2HB       SER  30  13.947  -2.659   4.517
  266    HG   SER  30           HG       SER  30  11.364  -2.851   5.275
  267    H    ILE  31           H        ILE  31  12.465   0.276   2.711
  268    HA   ILE  31           HA       ILE  31  14.910   0.354   1.236
  269    HB   ILE  31           HB       ILE  31  12.835  -0.011   0.075
  270   1HG1  ILE  31          1HG1      ILE  31  12.922   1.950  -1.585
  271   2HG1  ILE  31          2HG1      ILE  31  14.227   2.576  -0.581
  272   1HG2  ILE  31          1HG2      ILE  31  11.789   1.860   1.798
  273   2HG2  ILE  31          2HG2      ILE  31  11.757   2.679   0.237
  274   3HG2  ILE  31          3HG2      ILE  31  10.952   1.122   0.432
  275   1HD1  ILE  31          1HD1      ILE  31  15.368   0.349  -0.924
  276   2HD1  ILE  31          2HD1      ILE  31  14.152   0.033  -2.161
  277   3HD1  ILE  31          3HD1      ILE  31  15.250   1.401  -2.333
  278    H    LYS  32           H        LYS  32  13.188   2.592   3.248
  279    HA   LYS  32           HA       LYS  32  14.495   4.947   2.265
  280   1HB   LYS  32          1HB       LYS  32  12.704   4.313   4.577
  281   2HB   LYS  32          2HB       LYS  32  13.605   5.823   4.583
  282   1HG   LYS  32          1HG       LYS  32  11.831   4.985   2.307
  283   2HG   LYS  32          2HG       LYS  32  11.262   5.937   3.679
  284   1HD   LYS  32          1HD       LYS  32  12.138   7.809   2.842
  285   2HD   LYS  32          2HD       LYS  32  13.700   7.032   2.574
  286   1HE   LYS  32          1HE       LYS  32  13.087   6.291   0.434
  287   2HE   LYS  32          2HE       LYS  32  11.372   6.571   0.736
  288   1HZ   LYS  32          1HZ       LYS  32  13.192   8.865   0.836
  289   2HZ   LYS  32          2HZ       LYS  32  12.786   8.235  -0.680
  290   3HZ   LYS  32          3HZ       LYS  32  11.572   8.795   0.356
  291    H    LYS  33           H        LYS  33  15.044   2.620   4.826
  292    HA   LYS  33           HA       LYS  33  17.105   4.113   6.127
  293   1HB   LYS  33          1HB       LYS  33  15.802   2.382   7.298
  294   2HB   LYS  33          2HB       LYS  33  16.485   1.154   6.241
  295   1HG   LYS  33          1HG       LYS  33  18.500   2.776   7.587
  296   2HG   LYS  33          2HG       LYS  33  17.458   1.875   8.691
  297   1HD   LYS  33          1HD       LYS  33  18.725   0.556   6.312
  298   2HD   LYS  33          2HD       LYS  33  19.598   0.734   7.836
  299   1HE   LYS  33          1HE       LYS  33  16.885  -0.555   7.603
  300   2HE   LYS  33          2HE       LYS  33  18.400  -1.453   7.536
  301   1HZ   LYS  33          1HZ       LYS  33  18.231   0.307   9.797
  302   2HZ   LYS  33          2HZ       LYS  33  17.014  -0.868   9.789
  303   3HZ   LYS  33          3HZ       LYS  33  18.640  -1.334   9.733
  304    H    LEU  34           H        LEU  34  16.965   1.747   3.556
  305    HA   LEU  34           HA       LEU  34  19.746   1.177   3.455
  306   1HB   LEU  34          1HB       LEU  34  17.635  -0.015   2.380
  307   2HB   LEU  34          2HB       LEU  34  18.043   1.007   1.016
  308    HG   LEU  34           HG       LEU  34  19.125  -0.999   0.541
  309   1HD1  LEU  34          1HD1      LEU  34  20.600   1.125   0.622
  310   2HD1  LEU  34          2HD1      LEU  34  21.364   0.339   2.003
  311   3HD1  LEU  34          3HD1      LEU  34  21.369  -0.450   0.425
  312   1HD2  LEU  34          1HD2      LEU  34  18.904  -1.497   3.240
  313   2HD2  LEU  34          2HD2      LEU  34  19.669  -2.547   2.048
  314   3HD2  LEU  34          3HD2      LEU  34  20.647  -1.416   2.982
  315    H    LYS  35           H        LYS  35  17.651   3.474   1.762
  316    HA   LYS  35           HA       LYS  35  19.696   4.483   0.058
  317   1HB   LYS  35          1HB       LYS  35  17.272   4.664  -0.440
  318   2HB   LYS  35          2HB       LYS  35  17.106   5.799   0.894
  319   1HG   LYS  35          1HG       LYS  35  19.076   6.990  -0.510
  320   2HG   LYS  35          2HG       LYS  35  18.184   6.199  -1.810
  321   1HD   LYS  35          1HD       LYS  35  16.802   7.849   0.285
  322   2HD   LYS  35          2HD       LYS  35  17.485   8.575  -1.172
  323   1HE   LYS  35          1HE       LYS  35  15.900   6.249  -1.811
  324   2HE   LYS  35          2HE       LYS  35  14.962   7.418  -0.882
  325   1HZ   LYS  35          1HZ       LYS  35  15.817   9.120  -2.522
  326   2HZ   LYS  35          2HZ       LYS  35  16.321   7.818  -3.479
  327   3HZ   LYS  35          3HZ       LYS  35  14.681   8.014  -3.112
  328    H    GLN  36           H        GLN  36  18.620   5.223   3.284
  329    HA   GLN  36           HA       GLN  36  19.928   7.764   3.456
  330   1HB   GLN  36          1HB       GLN  36  18.154   6.229   5.065
  331   2HB   GLN  36          2HB       GLN  36  19.566   6.607   6.042
  332   1HG   GLN  36          1HG       GLN  36  19.278   8.972   5.581
  333   2HG   GLN  36          2HG       GLN  36  17.896   8.616   4.546
  334   2HE2  GLN  36          2HE2      GLN  36  17.046  10.245   6.182
  335   1HE2  GLN  36          1HE2      GLN  36  16.292   9.589   7.590
  336    H    SER  37           H        SER  37  20.829   4.451   4.017
  337    HA   SER  37           HA       SER  37  23.157   5.001   5.574
  338   1HB   SER  37          1HB       SER  37  22.282   2.561   4.018
  339   2HB   SER  37          2HB       SER  37  23.754   2.616   4.987
  340    HG   SER  37           HG       SER  37  22.200   3.356   6.719
  341    H    GLU  38           H        GLU  38  22.450   4.838   2.170
  342    HA   GLU  38           HA       GLU  38  25.120   4.559   1.246
  343   1HB   GLU  38          1HB       GLU  38  23.228   4.028  -0.190
  344   2HB   GLU  38          2HB       GLU  38  22.672   5.694  -0.118
  345   1HG   GLU  38          1HG       GLU  38  25.158   6.083  -1.051
  346   2HG   GLU  38          2HG       GLU  38  24.832   4.480  -1.709
  347    H    ASP  39           H        ASP  39  23.154   7.284   2.200
  348    HA   ASP  39           HA       ASP  39  24.862   9.286   1.083
  349   1HB   ASP  39          1HB       ASP  39  22.336   9.389   1.885
  350   2HB   ASP  39          2HB       ASP  39  23.080   9.882   3.403
  351    H    ASP  40           H        ASP  40  24.418   7.928   4.330
  352    HA   ASP  40           HA       ASP  40  27.145   8.717   4.991
  353   1HB   ASP  40          1HB       ASP  40  26.414   9.653   7.185
  354   2HB   ASP  40          2HB       ASP  40  25.880  10.608   5.805
  355    H    ASP  41           H        ASP  41  28.069   7.517   6.698
  356    HA   ASP  41           HA       ASP  41  26.515   5.461   8.005
  357   1HB   ASP  41          1HB       ASP  41  27.901   3.599   7.172
  358   2HB   ASP  41          2HB       ASP  41  27.003   4.376   5.871
  359    H1   ALA   1           H1       ALA   1  35.907   2.083  -3.648
  360    H2   ALA   1           H2       ALA   1  36.394   3.729  -3.661
  361    H3   ALA   1           H3       ALA   1  37.134   2.621  -2.580
  362    HA   ALA   1           HA       ALA   1  35.181   2.367  -1.357
  363   1HB   ALA   1          1HB       ALA   1  36.686   4.436  -1.103
  364   2HB   ALA   1          2HB       ALA   1  35.354   5.317  -1.850
  365   3HB   ALA   1          3HB       ALA   1  35.100   4.455  -0.332
  366    H    LEU   2           H        LEU   2  33.765   1.425  -3.126
  367    HA   LEU   2           HA       LEU   2  31.569   3.308  -3.678
  368   1HB   LEU   2          1HB       LEU   2  32.731   1.187  -5.470
  369   2HB   LEU   2          2HB       LEU   2  31.130   1.856  -5.727
  370    HG   LEU   2           HG       LEU   2  33.063   3.978  -5.453
  371   1HD1  LEU   2          1HD1      LEU   2  34.579   2.166  -6.292
  372   2HD1  LEU   2          2HD1      LEU   2  33.581   2.098  -7.744
  373   3HD1  LEU   2          3HD1      LEU   2  34.449   3.579  -7.341
  374   1HD2  LEU   2          1HD2      LEU   2  30.839   4.174  -6.466
  375   2HD2  LEU   2          2HD2      LEU   2  32.113   4.665  -7.583
  376   3HD2  LEU   2          3HD2      LEU   2  31.339   3.090  -7.763
  377    H    LYS   3           H        LYS   3  29.482   2.524  -3.460
  378    HA   LYS   3           HA       LYS   3  29.244  -0.179  -2.312
  379   1HB   LYS   3          1HB       LYS   3  28.008   2.413  -1.426
  380   2HB   LYS   3          2HB       LYS   3  27.245   0.876  -1.043
  381   1HG   LYS   3          1HG       LYS   3  29.215   0.155   0.157
  382   2HG   LYS   3          2HG       LYS   3  30.060   1.637  -0.294
  383   1HD   LYS   3          1HD       LYS   3  27.602   1.420   1.442
  384   2HD   LYS   3          2HD       LYS   3  29.236   1.824   1.974
  385   1HE   LYS   3          1HE       LYS   3  28.905   3.707   0.098
  386   2HE   LYS   3          2HE       LYS   3  27.222   3.480   0.574
  387   1HZ   LYS   3          1HZ       LYS   3  28.275   3.668   2.956
  388   2HZ   LYS   3          2HZ       LYS   3  29.469   4.534   2.126
  389   3HZ   LYS   3          3HZ       LYS   3  27.858   5.049   2.072
  390    H    LYS   4           H        LYS   4  28.716  -0.947  -4.425
  391    HA   LYS   4           HA       LYS   4  26.366   0.081  -5.752
  392   1HB   LYS   4          1HB       LYS   4  28.221  -2.225  -6.329
  393   2HB   LYS   4          2HB       LYS   4  26.789  -1.897  -7.295
  394   1HG   LYS   4          1HG       LYS   4  27.681  -0.026  -8.243
  395   2HG   LYS   4          2HG       LYS   4  28.714   0.319  -6.854
  396   1HD   LYS   4          1HD       LYS   4  30.350  -1.154  -7.533
  397   2HD   LYS   4          2HD       LYS   4  29.223  -2.136  -8.472
  398   1HE   LYS   4          1HE       LYS   4  29.164   0.389  -9.659
  399   2HE   LYS   4          2HE       LYS   4  30.864   0.086  -9.306
  400   1HZ   LYS   4          1HZ       LYS   4  29.880  -2.268 -10.349
  401   2HZ   LYS   4          2HZ       LYS   4  29.230  -1.049 -11.325
  402   3HZ   LYS   4          3HZ       LYS   4  30.905  -1.163 -11.118
  403    H    HIS   5           H        HIS   5  27.212  -2.603  -3.677
  404    HA   HIS   5           HA       HIS   5  25.086  -4.318  -4.073
  405   1HB   HIS   5          1HB       HIS   5  25.388  -4.812  -1.549
  406   2HB   HIS   5          2HB       HIS   5  26.745  -5.108  -2.631
  407    HD1  HIS   5           HD1      HIS   5  28.867  -3.790  -2.228
  408    HD2  HIS   5           HD2      HIS   5  25.682  -2.496   0.108
  409    HE1  HIS   5           HE1      HIS   5  29.860  -2.183  -0.569
  410    HE2  HIS   5           HE2      HIS   5  27.915  -1.410   0.835
  411    H    HIS   6           H        HIS   6  25.190  -1.289  -2.307
  412    HA   HIS   6           HA       HIS   6  22.754  -1.528  -0.931
  413   1HB   HIS   6          1HB       HIS   6  24.660   0.597  -1.543
  414   2HB   HIS   6          2HB       HIS   6  22.998   1.178  -1.499
  415    HD1  HIS   6           HD1      HIS   6  23.687  -1.624   0.779
  416    HD2  HIS   6           HD2      HIS   6  23.794   2.528   0.919
  417    HE1  HIS   6           HE1      HIS   6  23.789  -1.036   3.222
  418    HE2  HIS   6           HE2      HIS   6  23.852   1.482   3.284
  419    H    GLU   7           H        GLU   7  23.448   0.120  -4.016
  420    HA   GLU   7           HA       GLU   7  20.868   0.861  -4.665
  421   1HB   GLU   7          1HB       GLU   7  23.149   1.306  -5.865
  422   2HB   GLU   7          2HB       GLU   7  22.734  -0.130  -6.792
  423   1HG   GLU   7          1HG       GLU   7  20.703   0.903  -7.569
  424   2HG   GLU   7          2HG       GLU   7  20.991   2.310  -6.547
  425    H    ASN   8           H        ASN   8  22.301  -2.282  -4.640
  426    HA   ASN   8           HA       ASN   8  20.506  -3.552  -6.446
  427   1HB   ASN   8          1HB       ASN   8  22.790  -4.294  -4.960
  428   2HB   ASN   8          2HB       ASN   8  21.494  -5.368  -4.440
  429   2HD2  ASN   8          2HD2      ASN   8  23.176  -6.822  -5.516
  430   1HD2  ASN   8          1HD2      ASN   8  22.909  -7.170  -7.187
  431    H    GLU   9           H        GLU   9  20.729  -3.732  -2.879
  432    HA   GLU   9           HA       GLU   9  18.146  -4.916  -2.620
  433   1HB   GLU   9          1HB       GLU   9  20.157  -3.769  -0.726
  434   2HB   GLU   9          2HB       GLU   9  18.525  -4.080  -0.152
  435   1HG   GLU   9          1HG       GLU   9  20.182  -5.910   0.256
  436   2HG   GLU   9          2HG       GLU   9  18.710  -6.394  -0.586
  437    H    ILE  10           H        ILE  10  19.103  -1.787  -3.332
  438    HA   ILE  10           HA       ILE  10  16.902  -0.448  -2.014
  439    HB   ILE  10           HB       ILE  10  19.243   0.454  -3.681
  440   1HG1  ILE  10          1HG1      ILE  10  18.325   1.195  -0.901
  441   2HG1  ILE  10          2HG1      ILE  10  19.568   0.005  -1.279
  442   1HG2  ILE  10          1HG2      ILE  10  16.717   1.816  -3.525
  443   2HG2  ILE  10          2HG2      ILE  10  17.989   2.769  -2.760
  444   3HG2  ILE  10          3HG2      ILE  10  18.170   2.237  -4.431
  445   1HD1  ILE  10          1HD1      ILE  10  20.204   2.460  -2.578
  446   2HD1  ILE  10          2HD1      ILE  10  19.868   2.768  -0.875
  447   3HD1  ILE  10          3HD1      ILE  10  21.100   1.593  -1.332
  448    H    SER  11           H        SER  11  17.822  -1.672  -5.147
  449    HA   SER  11           HA       SER  11  15.681  -0.346  -6.550
  450   1HB   SER  11          1HB       SER  11  16.428  -1.565  -8.492
  451   2HB   SER  11          2HB       SER  11  17.860  -0.997  -7.634
  452    HG   SER  11           HG       SER  11  17.792  -3.288  -8.363
  453    H    HIS  12           H        HIS  12  16.231  -3.366  -4.919
  454    HA   HIS  12           HA       HIS  12  13.894  -4.643  -6.000
  455   1HB   HIS  12          1HB       HIS  12  15.230  -6.361  -5.403
  456   2HB   HIS  12          2HB       HIS  12  16.153  -5.370  -4.286
  457    HD1  HIS  12           HD1      HIS  12  13.164  -7.646  -4.432
  458    HD2  HIS  12           HD2      HIS  12  15.474  -5.635  -1.628
  459    HE1  HIS  12           HE1      HIS  12  12.461  -8.570  -2.200
  460    HE2  HIS  12           HE2      HIS  12  13.875  -7.341  -0.514
  461    H    HIS  13           H        HIS  13  14.774  -3.179  -2.844
  462    HA   HIS  13           HA       HIS  13  12.191  -3.565  -1.721
  463   1HB   HIS  13          1HB       HIS  13  14.288  -1.510  -0.994
  464   2HB   HIS  13          2HB       HIS  13  12.870  -1.909  -0.034
  465    HD1  HIS  13           HD1      HIS  13  13.209  -5.066  -0.428
  466    HD2  HIS  13           HD2      HIS  13  16.079  -2.373   0.887
  467    HE1  HIS  13           HE1      HIS  13  14.840  -6.432   0.915
  468    HE2  HIS  13           HE2      HIS  13  16.576  -4.781   1.701
  469    H    ALA  14           H        ALA  14  13.563  -1.220  -3.874
  470    HA   ALA  14           HA       ALA  14  11.694   0.867  -3.463
  471   1HB   ALA  14          1HB       ALA  14  13.665   0.173  -5.587
  472   2HB   ALA  14          2HB       ALA  14  13.540   1.626  -4.594
  473   3HB   ALA  14          3HB       ALA  14  12.430   1.380  -5.943
  474    H    LYS  15           H        LYS  15  11.887  -1.747  -5.866
  475    HA   LYS  15           HA       LYS  15   9.411  -1.118  -7.108
  476   1HB   LYS  15          1HB       LYS  15  11.422  -2.604  -7.921
  477   2HB   LYS  15          2HB       LYS  15  10.537  -3.892  -7.114
  478   1HG   LYS  15          1HG       LYS  15   8.624  -3.536  -8.521
  479   2HG   LYS  15          2HG       LYS  15   9.380  -2.120  -9.254
  480   1HD   LYS  15          1HD       LYS  15  11.179  -3.569 -10.125
  481   2HD   LYS  15          2HD       LYS  15  10.348  -4.972  -9.449
  482   1HE   LYS  15          1HE       LYS  15   8.820  -5.014 -11.097
  483   2HE   LYS  15          2HE       LYS  15   8.674  -3.258 -11.139
  484   1HZ   LYS  15          1HZ       LYS  15  11.191  -4.258 -12.128
  485   2HZ   LYS  15          2HZ       LYS  15   9.856  -4.750 -13.041
  486   3HZ   LYS  15          3HZ       LYS  15  10.148  -3.103 -12.793
  487    H    GLU  16           H        GLU  16  10.247  -2.714  -4.184
  488    HA   GLU  16           HA       GLU  16   7.875  -4.315  -3.992
  489   1HB   GLU  16          1HB       GLU  16  10.195  -3.700  -2.230
  490   2HB   GLU  16          2HB       GLU  16   8.726  -4.296  -1.472
  491   1HG   GLU  16          1HG       GLU  16   9.880  -5.740  -3.813
  492   2HG   GLU  16          2HG       GLU  16  10.578  -5.955  -2.208
  493    H    ILE  17           H        ILE  17   8.910  -1.157  -2.754
  494    HA   ILE  17           HA       ILE  17   6.530  -0.826  -1.160
  495    HB   ILE  17           HB       ILE  17   8.555   0.269  -0.437
  496   1HG1  ILE  17          1HG1      ILE  17   6.233   1.359  -0.166
  497   2HG1  ILE  17          2HG1      ILE  17   7.651   2.352   0.146
  498   1HG2  ILE  17          1HG2      ILE  17   8.619   1.211  -3.221
  499   2HG2  ILE  17          2HG2      ILE  17   9.107   2.394  -2.007
  500   3HG2  ILE  17          3HG2      ILE  17   9.939   0.842  -2.110
  501   1HD1  ILE  17          1HD1      ILE  17   6.936   2.597  -2.603
  502   2HD1  ILE  17          2HD1      ILE  17   5.510   2.869  -1.600
  503   3HD1  ILE  17          3HD1      ILE  17   6.966   3.832  -1.343
  504    H    GLU  18           H        GLU  18   7.527  -0.087  -4.404
  505    HA   GLU  18           HA       GLU  18   5.366   1.760  -4.892
  506   1HB   GLU  18          1HB       GLU  18   7.702   0.767  -6.350
  507   2HB   GLU  18          2HB       GLU  18   6.281   0.956  -7.369
  508   1HG   GLU  18          1HG       GLU  18   6.073   3.278  -6.676
  509   2HG   GLU  18          2HG       GLU  18   7.472   3.095  -5.618
  510    H    ARG  19           H        ARG  19   6.037  -1.644  -5.389
  511    HA   ARG  19           HA       ARG  19   3.747  -2.138  -7.028
  512   1HB   ARG  19          1HB       ARG  19   5.694  -3.884  -5.547
  513   2HB   ARG  19          2HB       ARG  19   4.253  -4.576  -6.282
  514   1HG   ARG  19          1HG       ARG  19   6.137  -2.875  -7.871
  515   2HG   ARG  19          2HG       ARG  19   6.436  -4.596  -7.620
  516   1HD   ARG  19          1HD       ARG  19   3.833  -4.627  -8.380
  517   2HD   ARG  19          2HD       ARG  19   4.433  -3.244  -9.295
  518    HE   ARG  19           HE       ARG  19   5.578  -4.690 -10.639
  519   1HH1  ARG  19          1HH1      ARG  19   4.731  -6.333  -7.690
  520   2HH1  ARG  19          2HH1      ARG  19   5.287  -7.879  -8.237
  521   1HH2  ARG  19          1HH2      ARG  19   6.316  -6.721 -11.372
  522   2HH2  ARG  19          2HH2      ARG  19   6.189  -8.099 -10.331
  523    H    LEU  20           H        LEU  20   4.484  -2.393  -3.587
  524    HA   LEU  20           HA       LEU  20   2.050  -3.625  -2.832
  525   1HB   LEU  20          1HB       LEU  20   4.406  -2.903  -1.561
  526   2HB   LEU  20          2HB       LEU  20   3.205  -1.870  -0.815
  527    HG   LEU  20           HG       LEU  20   3.293  -3.759   0.564
  528   1HD1  LEU  20          1HD1      LEU  20   0.974  -3.166  -0.811
  529   2HD1  LEU  20          2HD1      LEU  20   1.088  -4.923  -0.916
  530   3HD1  LEU  20          3HD1      LEU  20   1.102  -4.130   0.660
  531   1HD2  LEU  20          1HD2      LEU  20   4.578  -5.110  -1.149
  532   2HD2  LEU  20          2HD2      LEU  20   3.438  -6.005  -0.143
  533   3HD2  LEU  20          3HD2      LEU  20   3.012  -5.590  -1.804
  534    H    GLN  21           H        GLN  21   3.106  -0.263  -3.092
  535    HA   GLN  21           HA       GLN  21   0.846   0.950  -1.959
  536   1HB   GLN  21          1HB       GLN  21   3.154   1.935  -2.751
  537   2HB   GLN  21          2HB       GLN  21   2.283   2.231  -4.249
  538   1HG   GLN  21          1HG       GLN  21   0.665   3.589  -3.089
  539   2HG   GLN  21          2HG       GLN  21   1.420   3.218  -1.540
  540   2HE2  GLN  21          2HE2      GLN  21   2.113   4.639  -4.705
  541   1HE2  GLN  21          1HE2      GLN  21   3.222   5.831  -4.124
  542    H    LYS  22           H        LYS  22   1.543  -0.037  -5.286
  543    HA   LYS  22           HA       LYS  22  -0.740   1.046  -6.495
  544   1HB   LYS  22          1HB       LYS  22   1.435  -0.296  -7.399
  545   2HB   LYS  22          2HB       LYS  22   0.212  -1.551  -7.535
  546   1HG   LYS  22          1HG       LYS  22  -1.063   0.594  -8.635
  547   2HG   LYS  22          2HG       LYS  22   0.611   0.865  -9.124
  548   1HD   LYS  22          1HD       LYS  22  -0.973  -1.666  -9.561
  549   2HD   LYS  22          2HD       LYS  22  -0.601  -0.454 -10.788
  550   1HE   LYS  22          1HE       LYS  22   1.851  -0.881 -10.209
  551   2HE   LYS  22          2HE       LYS  22   1.275  -2.320  -9.367
  552   1HZ   LYS  22          1HZ       LYS  22   0.249  -3.043 -11.465
  553   2HZ   LYS  22          2HZ       LYS  22   0.920  -1.703 -12.250
  554   3HZ   LYS  22          3HZ       LYS  22   1.928  -2.890 -11.591
  555    H    GLU  23           H        GLU  23  -0.196  -2.058  -4.899
  556    HA   GLU  23           HA       GLU  23  -2.648  -3.261  -5.546
  557   1HB   GLU  23          1HB       GLU  23  -0.499  -3.708  -3.581
  558   2HB   GLU  23          2HB       GLU  23  -2.073  -4.333  -3.109
  559   1HG   GLU  23          1HG       GLU  23  -2.062  -5.943  -4.686
  560   2HG   GLU  23          2HG       GLU  23  -1.201  -4.945  -5.858
  561    H    ILE  24           H        ILE  24  -1.705  -1.344  -2.697
  562    HA   ILE  24           HA       ILE  24  -4.157  -1.532  -1.357
  563    HB   ILE  24           HB       ILE  24  -3.390   0.006   0.152
  564   1HG1  ILE  24          1HG1      ILE  24  -1.593   1.800  -0.671
  565   2HG1  ILE  24          2HG1      ILE  24  -2.404   1.533  -2.211
  566   1HG2  ILE  24          1HG2      ILE  24  -1.620  -1.757  -0.427
  567   2HG2  ILE  24          2HG2      ILE  24  -0.724  -0.410  -1.133
  568   3HG2  ILE  24          3HG2      ILE  24  -1.147  -0.387   0.578
  569   1HD1  ILE  24          1HD1      ILE  24  -4.392   1.856  -0.217
  570   2HD1  ILE  24          2HD1      ILE  24  -3.214   3.160  -0.048
  571   3HD1  ILE  24          3HD1      ILE  24  -4.024   2.899  -1.593
  572    H    GLU  25           H        GLU  25  -3.059   0.601  -3.908
  573    HA   GLU  25           HA       GLU  25  -5.132   2.480  -3.862
  574   1HB   GLU  25          1HB       GLU  25  -2.928   2.437  -5.238
  575   2HB   GLU  25          2HB       GLU  25  -3.871   1.541  -6.423
  576   1HG   GLU  25          1HG       GLU  25  -4.682   3.430  -7.225
  577   2HG   GLU  25          2HG       GLU  25  -5.367   3.823  -5.649
  578    H    ARG  26           H        ARG  26  -4.848  -0.630  -5.539
  579    HA   ARG  26           HA       ARG  26  -7.206  -0.540  -7.016
  580   1HB   ARG  26          1HB       ARG  26  -5.784  -2.886  -5.747
  581   2HB   ARG  26          2HB       ARG  26  -7.136  -3.056  -6.860
  582   1HG   ARG  26          1HG       ARG  26  -5.737  -1.696  -8.500
  583   2HG   ARG  26          2HG       ARG  26  -4.383  -2.004  -7.410
  584   1HD   ARG  26          1HD       ARG  26  -5.644  -4.477  -7.780
  585   2HD   ARG  26          2HD       ARG  26  -5.582  -3.732  -9.376
  586    HE   ARG  26           HE       ARG  26  -3.071  -3.416  -8.250
  587   1HH1  ARG  26          1HH1      ARG  26  -5.155  -6.035  -9.213
  588   2HH1  ARG  26          2HH1      ARG  26  -3.848  -7.109  -9.585
  589   1HH2  ARG  26          1HH2      ARG  26  -1.343  -4.823  -8.736
  590   2HH2  ARG  26          2HH2      ARG  26  -1.681  -6.421  -9.312
  591    H    HIS  27           H        HIS  27  -6.641  -1.780  -3.731
  592    HA   HIS  27           HA       HIS  27  -9.320  -2.500  -3.214
  593   1HB   HIS  27          1HB       HIS  27  -6.833  -2.381  -1.752
  594   2HB   HIS  27          2HB       HIS  27  -8.151  -1.762  -0.762
  595    HD1  HIS  27           HD1      HIS  27 -10.372  -3.502  -0.885
  596    HD2  HIS  27           HD2      HIS  27  -6.564  -5.049  -1.498
  597    HE1  HIS  27           HE1      HIS  27 -10.573  -5.973  -0.458
  598    HE2  HIS  27           HE2      HIS  27  -8.257  -6.889  -0.834
  599    H    LYS  28           H        LYS  28  -7.644   0.527  -3.179
  600    HA   LYS  28           HA       LYS  28  -9.552   1.929  -1.568
  601   1HB   LYS  28          1HB       LYS  28  -7.060   2.508  -2.035
  602   2HB   LYS  28          2HB       LYS  28  -7.681   3.263  -3.495
  603   1HG   LYS  28          1HG       LYS  28  -9.313   4.215  -1.450
  604   2HG   LYS  28          2HG       LYS  28  -7.679   4.231  -0.784
  605   1HD   LYS  28          1HD       LYS  28  -8.389   5.394  -3.470
  606   2HD   LYS  28          2HD       LYS  28  -8.378   6.334  -1.976
  607   1HE   LYS  28          1HE       LYS  28  -6.024   5.832  -1.651
  608   2HE   LYS  28          2HE       LYS  28  -6.021   4.819  -3.096
  609   1HZ   LYS  28          1HZ       LYS  28  -6.985   7.484  -3.572
  610   2HZ   LYS  28          2HZ       LYS  28  -5.388   7.450  -3.020
  611   3HZ   LYS  28          3HZ       LYS  28  -5.818   6.591  -4.411
  612    H    GLN  29           H        GLN  29  -9.242   1.117  -4.913
  613    HA   GLN  29           HA       GLN  29 -11.028   3.131  -5.896
  614   1HB   GLN  29          1HB       GLN  29  -9.340   2.140  -7.359
  615   2HB   GLN  29          2HB       GLN  29 -10.067   0.553  -7.153
  616   1HG   GLN  29          1HG       GLN  29 -12.179   1.577  -8.142
  617   2HG   GLN  29          2HG       GLN  29 -11.153   2.927  -8.626
  618   2HE2  GLN  29          2HE2      GLN  29 -12.499   1.448 -10.492
  619   1HE2  GLN  29          1HE2      GLN  29 -11.376   0.523 -11.424
  620    H    SER  30           H        SER  30 -11.294  -0.263  -4.967
  621    HA   SER  30           HA       SER  30 -13.995  -0.582  -5.785
  622   1HB   SER  30          1HB       SER  30 -12.493  -2.137  -3.666
  623   2HB   SER  30          2HB       SER  30 -13.947  -2.656  -4.519
  624    HG   SER  30           HG       SER  30 -11.364  -2.847  -5.276
  625    H    ILE  31           H        ILE  31 -12.465   0.278  -2.711
  626    HA   ILE  31           HA       ILE  31 -14.910   0.355  -1.236
  627    HB   ILE  31           HB       ILE  31 -12.835  -0.011  -0.075
  628   1HG1  ILE  31          1HG1      ILE  31 -12.922   1.949   1.586
  629   2HG1  ILE  31          2HG1      ILE  31 -14.227   2.576   0.583
  630   1HG2  ILE  31          1HG2      ILE  31 -11.789   1.861  -1.797
  631   2HG2  ILE  31          2HG2      ILE  31 -11.757   2.679  -0.235
  632   3HG2  ILE  31          3HG2      ILE  31 -10.952   1.122  -0.432
  633   1HD1  ILE  31          1HD1      ILE  31 -15.368   0.347   0.924
  634   2HD1  ILE  31          2HD1      ILE  31 -14.152   0.032   2.161
  635   3HD1  ILE  31          3HD1      ILE  31 -15.250   1.400   2.334
  636    H    LYS  32           H        LYS  32 -13.188   2.594  -3.247
  637    HA   LYS  32           HA       LYS  32 -14.495   4.949  -2.262
  638   1HB   LYS  32          1HB       LYS  32 -12.704   4.316  -4.574
  639   2HB   LYS  32          2HB       LYS  32 -13.604   5.826  -4.579
  640   1HG   LYS  32          1HG       LYS  32 -11.831   4.987  -2.303
  641   2HG   LYS  32          2HG       LYS  32 -11.262   5.940  -3.675
  642   1HD   LYS  32          1HD       LYS  32 -12.138   7.811  -2.837
  643   2HD   LYS  32          2HD       LYS  32 -13.700   7.034  -2.569
  644   1HE   LYS  32          1HE       LYS  32 -13.087   6.291  -0.430
  645   2HE   LYS  32          2HE       LYS  32 -11.372   6.572  -0.732
  646   1HZ   LYS  32          1HZ       LYS  32 -13.192   8.866  -0.830
  647   2HZ   LYS  32          2HZ       LYS  32 -12.786   8.235   0.686
  648   3HZ   LYS  32          3HZ       LYS  32 -11.572   8.795  -0.350
  649    H    LYS  33           H        LYS  33 -15.044   2.623  -4.824
  650    HA   LYS  33           HA       LYS  33 -17.105   4.117  -6.124
  651   1HB   LYS  33          1HB       LYS  33 -15.802   2.387  -7.297
  652   2HB   LYS  33          2HB       LYS  33 -16.485   1.158  -6.240
  653   1HG   LYS  33          1HG       LYS  33 -18.500   2.781  -7.585
  654   2HG   LYS  33          2HG       LYS  33 -17.458   1.881  -8.690
  655   1HD   LYS  33          1HD       LYS  33 -18.725   0.560  -6.312
  656   2HD   LYS  33          2HD       LYS  33 -19.598   0.739  -7.835
  657   1HE   LYS  33          1HE       LYS  33 -16.885  -0.550  -7.604
  658   2HE   LYS  33          2HE       LYS  33 -18.400  -1.448  -7.537
  659   1HZ   LYS  33          1HZ       LYS  33 -18.231   0.314  -9.796
  660   2HZ   LYS  33          2HZ       LYS  33 -17.014  -0.861  -9.790
  661   3HZ   LYS  33          3HZ       LYS  33 -18.640  -1.327  -9.734
  662    H    LEU  34           H        LEU  34 -16.965   1.750  -3.555
  663    HA   LEU  34           HA       LEU  34 -19.746   1.180  -3.455
  664   1HB   LEU  34          1HB       LEU  34 -17.635  -0.013  -2.380
  665   2HB   LEU  34          2HB       LEU  34 -18.043   1.008  -1.014
  666    HG   LEU  34           HG       LEU  34 -19.125  -0.998  -0.542
  667   1HD1  LEU  34          1HD1      LEU  34 -20.600   1.126  -0.621
  668   2HD1  LEU  34          2HD1      LEU  34 -21.364   0.340  -2.002
  669   3HD1  LEU  34          3HD1      LEU  34 -21.369  -0.449  -0.425
  670   1HD2  LEU  34          1HD2      LEU  34 -18.904  -1.495  -3.241
  671   2HD2  LEU  34          2HD2      LEU  34 -19.669  -2.546  -2.050
  672   3HD2  LEU  34          3HD2      LEU  34 -20.647  -1.414  -2.983
  673    H    LYS  35           H        LYS  35 -17.651   3.475  -1.760
  674    HA   LYS  35           HA       LYS  35 -19.696   4.483  -0.055
  675   1HB   LYS  35          1HB       LYS  35 -17.272   4.664   0.443
  676   2HB   LYS  35          2HB       LYS  35 -17.106   5.800  -0.890
  677   1HG   LYS  35          1HG       LYS  35 -19.076   6.990   0.514
  678   2HG   LYS  35          2HG       LYS  35 -18.184   6.198   1.815
  679   1HD   LYS  35          1HD       LYS  35 -16.802   7.849  -0.279
  680   2HD   LYS  35          2HD       LYS  35 -17.484   8.574   1.178
  681   1HE   LYS  35          1HE       LYS  35 -15.900   6.248   1.815
  682   2HE   LYS  35          2HE       LYS  35 -14.962   7.417   0.887
  683   1HZ   LYS  35          1HZ       LYS  35 -15.817   9.119   2.529
  684   2HZ   LYS  35          2HZ       LYS  35 -16.321   7.816   3.484
  685   3HZ   LYS  35          3HZ       LYS  35 -14.681   8.012   3.117
  686    H    GLN  36           H        GLN  36 -18.620   5.225  -3.281
  687    HA   GLN  36           HA       GLN  36 -19.928   7.767  -3.451
  688   1HB   GLN  36          1HB       GLN  36 -18.154   6.232  -5.061
  689   2HB   GLN  36          2HB       GLN  36 -19.566   6.611  -6.037
  690   1HG   GLN  36          1HG       GLN  36 -19.278   8.976  -5.575
  691   2HG   GLN  36          2HG       GLN  36 -17.896   8.619  -4.541
  692   2HE2  GLN  36          2HE2      GLN  36 -17.046  10.249  -6.175
  693   1HE2  GLN  36          1HE2      GLN  36 -16.292   9.594  -7.584
  694    H    SER  37           H        SER  37 -20.829   4.454  -4.014
  695    HA   SER  37           HA       SER  37 -23.157   5.005  -5.570
  696   1HB   SER  37          1HB       SER  37 -22.281   2.564  -4.016
  697   2HB   SER  37          2HB       SER  37 -23.754   2.619  -4.985
  698    HG   SER  37           HG       SER  37 -22.200   3.361  -6.717
  699    H    GLU  38           H        GLU  38 -22.450   4.840  -2.167
  700    HA   GLU  38           HA       GLU  38 -25.120   4.560  -1.243
  701   1HB   GLU  38          1HB       GLU  38 -23.228   4.028   0.193
  702   2HB   GLU  38          2HB       GLU  38 -22.672   5.694   0.122
  703   1HG   GLU  38          1HG       GLU  38 -25.158   6.082   1.055
  704   2HG   GLU  38          2HG       GLU  38 -24.832   4.479   1.712
  705    H    ASP  39           H        ASP  39 -23.154   7.286  -2.195
  706    HA   ASP  39           HA       ASP  39 -24.862   9.287  -1.076
  707   1HB   ASP  39          1HB       ASP  39 -22.336   9.390  -1.878
  708   2HB   ASP  39          2HB       ASP  39 -23.080   9.885  -3.397
  709    H    ASP  40           H        ASP  40 -24.418   7.931  -4.325
  710    HA   ASP  40           HA       ASP  40 -27.145   8.720  -4.985
  711   1HB   ASP  40          1HB       ASP  40 -26.414   9.658  -7.178
  712   2HB   ASP  40          2HB       ASP  40 -25.880  10.612  -5.798
  713    H    ASP  41           H        ASP  41 -28.069   7.522  -6.693
  714    HA   ASP  41           HA       ASP  41 -26.515   5.466  -8.002
  715   1HB   ASP  41          1HB       ASP  41 -27.901   3.604  -7.169
  716   2HB   ASP  41          2HB       ASP  41 -27.003   4.380  -5.869

  No H/Q in entry =         716
  Start of MODEL   23
    1    H1   ALA   1           H1       ALA   1 -32.058   9.573   3.097
    2    H2   ALA   1           H2       ALA   1 -31.533  10.146   1.567
    3    H3   ALA   1           H3       ALA   1 -33.072   9.406   1.722
    4    HA   ALA   1           HA       ALA   1 -32.268   7.360   1.776
    5   1HB   ALA   1          1HB       ALA   1 -31.245   7.312  -0.192
    6   2HB   ALA   1          2HB       ALA   1 -31.011   9.056  -0.074
    7   3HB   ALA   1          3HB       ALA   1 -29.765   7.956   0.515
    8    H    LEU   2           H        LEU   2 -31.445   6.028   3.238
    9    HA   LEU   2           HA       LEU   2 -28.766   6.418   4.266
   10   1HB   LEU   2          1HB       LEU   2 -29.849   6.023   6.652
   11   2HB   LEU   2          2HB       LEU   2 -29.594   7.630   5.999
   12    HG   LEU   2           HG       LEU   2 -32.214   6.268   5.532
   13   1HD1  LEU   2          1HD1      LEU   2 -31.146   7.171   8.123
   14   2HD1  LEU   2          2HD1      LEU   2 -32.764   7.740   7.714
   15   3HD1  LEU   2          3HD1      LEU   2 -32.423   6.010   7.760
   16   1HD2  LEU   2          1HD2      LEU   2 -31.081   8.804   5.003
   17   2HD2  LEU   2          2HD2      LEU   2 -32.723   8.249   4.675
   18   3HD2  LEU   2          3HD2      LEU   2 -32.347   9.031   6.210
   19    H    LYS   3           H        LYS   3 -29.361   4.422   2.670
   20    HA   LYS   3           HA       LYS   3 -30.527   2.114   3.689
   21   1HB   LYS   3          1HB       LYS   3 -28.099   2.067   1.909
   22   2HB   LYS   3          2HB       LYS   3 -29.440   0.931   1.953
   23   1HG   LYS   3          1HG       LYS   3 -29.410   3.725   0.854
   24   2HG   LYS   3          2HG       LYS   3 -29.718   2.212  -0.002
   25   1HD   LYS   3          1HD       LYS   3 -31.668   2.104   1.848
   26   2HD   LYS   3          2HD       LYS   3 -31.517   3.853   1.669
   27   1HE   LYS   3          1HE       LYS   3 -32.180   1.810  -0.435
   28   2HE   LYS   3          2HE       LYS   3 -33.153   3.177   0.105
   29   1HZ   LYS   3          1HZ       LYS   3 -31.082   4.509  -0.746
   30   2HZ   LYS   3          2HZ       LYS   3 -30.850   3.134  -1.704
   31   3HZ   LYS   3          3HZ       LYS   3 -32.294   4.011  -1.816
   32    H    LYS   4           H        LYS   4 -27.202   3.285   3.983
   33    HA   LYS   4           HA       LYS   4 -25.574   2.821   5.506
   34   1HB   LYS   4          1HB       LYS   4 -27.581   1.081   6.936
   35   2HB   LYS   4          2HB       LYS   4 -26.128   1.808   7.605
   36   1HG   LYS   4          1HG       LYS   4 -27.489   3.994   6.702
   37   2HG   LYS   4          2HG       LYS   4 -28.795   2.934   7.236
   38   1HD   LYS   4          1HD       LYS   4 -28.378   3.518   9.340
   39   2HD   LYS   4          2HD       LYS   4 -26.767   2.810   9.200
   40   1HE   LYS   4          1HE       LYS   4 -25.815   4.870   8.541
   41   2HE   LYS   4          2HE       LYS   4 -27.397   5.595   8.258
   42   1HZ   LYS   4          1HZ       LYS   4 -27.216   4.697  10.928
   43   2HZ   LYS   4          2HZ       LYS   4 -25.890   5.689  10.581
   44   3HZ   LYS   4          3HZ       LYS   4 -27.462   6.268  10.352
   45    H    HIS   5           H        HIS   5 -26.368   1.012   3.183
   46    HA   HIS   5           HA       HIS   5 -25.268  -1.538   4.075
   47   1HB   HIS   5          1HB       HIS   5 -26.010  -2.450   2.011
   48   2HB   HIS   5          2HB       HIS   5 -27.294  -1.377   2.551
   49    HD1  HIS   5           HD1      HIS   5 -26.057  -2.326  -0.459
   50    HD2  HIS   5           HD2      HIS   5 -26.363   1.433   1.288
   51    HE1  HIS   5           HE1      HIS   5 -26.014  -0.690  -2.369
   52    HE2  HIS   5           HE2      HIS   5 -26.200   1.578  -1.288
   53    H    HIS   6           H        HIS   6 -24.467   1.230   2.091
   54    HA   HIS   6           HA       HIS   6 -22.199   0.152   0.810
   55   1HB   HIS   6          1HB       HIS   6 -23.098   2.958   1.419
   56   2HB   HIS   6          2HB       HIS   6 -21.534   2.654   0.672
   57    HD1  HIS   6           HD1      HIS   6 -23.089   0.126  -0.920
   58    HD2  HIS   6           HD2      HIS   6 -23.755   4.225  -1.087
   59    HE1  HIS   6           HE1      HIS   6 -24.236   0.532  -3.120
   60    HE2  HIS   6           HE2      HIS   6 -24.630   3.020  -3.202
   61    H    GLU   7           H        GLU   7 -22.607   1.875   3.872
   62    HA   GLU   7           HA       GLU   7 -19.885   2.124   4.513
   63   1HB   GLU   7          1HB       GLU   7 -20.640   2.443   6.820
   64   2HB   GLU   7          2HB       GLU   7 -21.645   3.353   5.700
   65   1HG   GLU   7          1HG       GLU   7 -23.358   1.613   5.830
   66   2HG   GLU   7          2HG       GLU   7 -22.351   0.714   6.965
   67    H    ASN   8           H        ASN   8 -22.075  -0.558   4.623
   68    HA   ASN   8           HA       ASN   8 -20.636  -2.178   6.461
   69   1HB   ASN   8          1HB       ASN   8 -23.044  -2.372   4.997
   70   2HB   ASN   8          2HB       ASN   8 -22.063  -3.753   4.518
   71   2HD2  ASN   8          2HD2      ASN   8 -24.423  -4.074   5.875
   72   1HD2  ASN   8          1HD2      ASN   8 -24.097  -4.665   7.466
   73    H    GLU   9           H        GLU   9 -20.953  -2.459   2.908
   74    HA   GLU   9           HA       GLU   9 -18.758  -4.251   2.669
   75   1HB   GLU   9          1HB       GLU   9 -20.483  -4.188   0.967
   76   2HB   GLU   9          2HB       GLU   9 -20.127  -2.502   0.617
   77   1HG   GLU   9          1HG       GLU   9 -18.265  -2.996  -0.585
   78   2HG   GLU   9          2HG       GLU   9 -17.917  -4.455   0.341
   79    H    ILE  10           H        ILE  10 -18.910  -0.926   3.222
   80    HA   ILE  10           HA       ILE  10 -16.397  -0.271   1.947
   81    HB   ILE  10           HB       ILE  10 -18.486   1.282   3.451
   82   1HG1  ILE  10          1HG1      ILE  10 -17.206   1.827   0.776
   83   2HG1  ILE  10          2HG1      ILE  10 -18.613   0.788   0.973
   84   1HG2  ILE  10          1HG2      ILE  10 -16.300   2.073   4.296
   85   2HG2  ILE  10          2HG2      ILE  10 -15.828   2.446   2.639
   86   3HG2  ILE  10          3HG2      ILE  10 -17.182   3.296   3.385
   87   1HD1  ILE  10          1HD1      ILE  10 -19.792   2.722   2.017
   88   2HD1  ILE  10          2HD1      ILE  10 -18.412   3.725   1.569
   89   3HD1  ILE  10          3HD1      ILE  10 -19.373   2.938   0.317
   90    H    SER  11           H        SER  11 -17.634  -1.207   5.046
   91    HA   SER  11           HA       SER  11 -15.369  -0.318   6.565
   92   1HB   SER  11          1HB       SER  11 -17.826  -0.895   7.350
   93   2HB   SER  11          2HB       SER  11 -17.166  -2.522   7.509
   94    HG   SER  11           HG       SER  11 -16.483  -0.176   8.894
   95    H    HIS  12           H        HIS  12 -16.445  -3.335   5.082
   96    HA   HIS  12           HA       HIS  12 -14.281  -4.892   6.074
   97   1HB   HIS  12          1HB       HIS  12 -15.828  -6.408   5.448
   98   2HB   HIS  12          2HB       HIS  12 -16.617  -5.276   4.364
   99    HD1  HIS  12           HD1      HIS  12 -14.044  -8.001   4.430
  100    HD2  HIS  12           HD2      HIS  12 -15.931  -5.520   1.686
  101    HE1  HIS  12           HE1      HIS  12 -13.478  -8.951   2.171
  102    HE2  HIS  12           HE2      HIS  12 -14.634  -7.435   0.521
  103    H    HIS  13           H        HIS  13 -14.937  -3.346   2.906
  104    HA   HIS  13           HA       HIS  13 -12.450  -4.063   1.768
  105   1HB   HIS  13          1HB       HIS  13 -14.231  -1.700   1.132
  106   2HB   HIS  13          2HB       HIS  13 -12.879  -2.247   0.150
  107    HD1  HIS  13           HD1      HIS  13 -13.637  -5.343   0.437
  108    HD2  HIS  13           HD2      HIS  13 -16.122  -2.251  -0.787
  109    HE1  HIS  13           HE1      HIS  13 -15.433  -6.436  -0.946
  110    HE2  HIS  13           HE2      HIS  13 -16.932  -4.545  -1.676
  111    H    ALA  14           H        ALA  14 -13.451  -1.568   3.962
  112    HA   ALA  14           HA       ALA  14 -11.259   0.194   3.639
  113   1HB   ALA  14          1HB       ALA  14 -13.378  -0.217   5.680
  114   2HB   ALA  14          2HB       ALA  14 -11.949   0.701   6.155
  115   3HB   ALA  14          3HB       ALA  14 -12.930   1.238   4.791
  116    H    LYS  15           H        LYS  15 -11.810  -2.700   5.533
  117    HA   LYS  15           HA       LYS  15  -9.398  -2.474   7.064
  118   1HB   LYS  15          1HB       LYS  15 -11.556  -3.831   7.595
  119   2HB   LYS  15          2HB       LYS  15 -10.839  -5.064   6.565
  120   1HG   LYS  15          1HG       LYS  15  -9.084  -5.450   8.028
  121   2HG   LYS  15          2HG       LYS  15  -9.279  -3.890   8.830
  122   1HD   LYS  15          1HD       LYS  15 -10.169  -5.332  10.397
  123   2HD   LYS  15          2HD       LYS  15 -11.612  -4.847   9.502
  124   1HE   LYS  15          1HE       LYS  15 -10.858  -6.974   8.044
  125   2HE   LYS  15          2HE       LYS  15 -10.230  -7.456   9.619
  126   1HZ   LYS  15          1HZ       LYS  15 -12.936  -6.414   9.620
  127   2HZ   LYS  15          2HZ       LYS  15 -12.736  -7.891   8.822
  128   3HZ   LYS  15          3HZ       LYS  15 -12.285  -7.739  10.446
  129    H    GLU  16           H        GLU  16 -10.275  -3.675   3.940
  130    HA   GLU  16           HA       GLU  16  -8.020  -5.394   3.584
  131   1HB   GLU  16          1HB       GLU  16 -10.289  -4.456   1.967
  132   2HB   GLU  16          2HB       GLU  16  -8.823  -4.768   1.048
  133   1HG   GLU  16          1HG       GLU  16  -9.170  -6.948   1.131
  134   2HG   GLU  16          2HG       GLU  16  -9.282  -6.910   2.890
  135    H    ILE  17           H        ILE  17  -8.750  -2.045   2.625
  136    HA   ILE  17           HA       ILE  17  -6.258  -1.704   1.240
  137    HB   ILE  17           HB       ILE  17  -8.097  -0.334   0.546
  138   1HG1  ILE  17          1HG1      ILE  17  -5.935   1.225   1.972
  139   2HG1  ILE  17          2HG1      ILE  17  -6.033   0.816   0.264
  140   1HG2  ILE  17          1HG2      ILE  17  -8.684  -0.216   3.288
  141   2HG2  ILE  17          2HG2      ILE  17  -8.435   1.444   2.755
  142   3HG2  ILE  17          3HG2      ILE  17  -9.629   0.428   1.947
  143   1HD1  ILE  17          1HD1      ILE  17  -8.218   2.268   0.383
  144   2HD1  ILE  17          2HD1      ILE  17  -7.407   2.958   1.787
  145   3HD1  ILE  17          3HD1      ILE  17  -6.629   3.011   0.206
  146    H    GLU  18           H        GLU  18  -7.375  -1.334   4.509
  147    HA   GLU  18           HA       GLU  18  -5.187   0.302   5.379
  148   1HB   GLU  18          1HB       GLU  18  -7.611  -0.774   6.518
  149   2HB   GLU  18          2HB       GLU  18  -6.255  -1.047   7.605
  150   1HG   GLU  18          1HG       GLU  18  -5.997   1.594   6.716
  151   2HG   GLU  18          2HG       GLU  18  -7.708   1.365   7.070
  152    H    ARG  19           H        ARG  19  -5.898  -3.142   5.300
  153    HA   ARG  19           HA       ARG  19  -3.639  -3.909   6.873
  154   1HB   ARG  19          1HB       ARG  19  -5.547  -5.385   6.744
  155   2HB   ARG  19          2HB       ARG  19  -5.410  -5.479   4.993
  156   1HG   ARG  19          1HG       ARG  19  -3.203  -6.575   5.277
  157   2HG   ARG  19          2HG       ARG  19  -3.480  -6.585   7.020
  158   1HD   ARG  19          1HD       ARG  19  -4.651  -8.461   6.832
  159   2HD   ARG  19          2HD       ARG  19  -5.784  -7.656   5.747
  160    HE   ARG  19           HE       ARG  19  -3.623  -8.314   4.186
  161   1HH1  ARG  19          1HH1      ARG  19  -5.879 -10.039   6.201
  162   2HH1  ARG  19          2HH1      ARG  19  -5.803 -11.494   5.266
  163   1HH2  ARG  19          1HH2      ARG  19  -3.515 -10.225   2.945
  164   2HH2  ARG  19          2HH2      ARG  19  -4.458 -11.600   3.415
  165    H    LEU  20           H        LEU  20  -4.325  -3.738   3.401
  166    HA   LEU  20           HA       LEU  20  -1.825  -4.801   2.584
  167   1HB   LEU  20          1HB       LEU  20  -4.217  -3.994   1.352
  168   2HB   LEU  20          2HB       LEU  20  -2.969  -2.978   0.661
  169    HG   LEU  20           HG       LEU  20  -1.780  -4.843  -0.197
  170   1HD1  LEU  20          1HD1      LEU  20  -3.208  -6.282   1.897
  171   2HD1  LEU  20          2HD1      LEU  20  -3.165  -7.143   0.358
  172   3HD1  LEU  20          3HD1      LEU  20  -1.661  -6.636   1.128
  173   1HD2  LEU  20          1HD2      LEU  20  -3.893  -4.155  -1.371
  174   2HD2  LEU  20          2HD2      LEU  20  -3.342  -5.795  -1.711
  175   3HD2  LEU  20          3HD2      LEU  20  -4.683  -5.526  -0.597
  176    H    GLN  21           H        GLN  21  -3.002  -1.604   3.376
  177    HA   GLN  21           HA       GLN  21  -0.862  -0.113   2.301
  178   1HB   GLN  21          1HB       GLN  21  -2.917   0.993   2.917
  179   2HB   GLN  21          2HB       GLN  21  -2.747   0.474   4.589
  180   1HG   GLN  21          1HG       GLN  21  -0.481   2.021   3.580
  181   2HG   GLN  21          2HG       GLN  21  -2.009   2.901   3.614
  182   2HE2  GLN  21          2HE2      GLN  21  -3.257   2.062   5.791
  183   1HE2  GLN  21          1HE2      GLN  21  -2.333   2.375   7.216
  184    H    LYS  22           H        LYS  22  -1.402  -1.597   5.466
  185    HA   LYS  22           HA       LYS  22   0.866  -0.576   6.764
  186   1HB   LYS  22          1HB       LYS  22  -0.916  -1.670   7.998
  187   2HB   LYS  22          2HB       LYS  22  -0.598  -3.189   7.173
  188   1HG   LYS  22          1HG       LYS  22   1.832  -2.693   8.238
  189   2HG   LYS  22          2HG       LYS  22   0.785  -1.943   9.444
  190   1HD   LYS  22          1HD       LYS  22   0.592  -4.002  10.302
  191   2HD   LYS  22          2HD       LYS  22  -0.491  -4.319   8.944
  192   1HE   LYS  22          1HE       LYS  22   0.919  -5.830   8.135
  193   2HE   LYS  22          2HE       LYS  22   2.207  -4.628   8.069
  194   1HZ   LYS  22          1HZ       LYS  22   1.496  -6.237  10.462
  195   2HZ   LYS  22          2HZ       LYS  22   2.803  -6.547   9.433
  196   3HZ   LYS  22          3HZ       LYS  22   2.768  -5.125  10.350
  197    H    GLU  23           H        GLU  23   0.394  -3.561   4.901
  198    HA   GLU  23           HA       GLU  23   2.927  -4.668   5.249
  199   1HB   GLU  23          1HB       GLU  23   0.671  -5.377   3.878
  200   2HB   GLU  23          2HB       GLU  23   1.778  -5.008   2.562
  201   1HG   GLU  23          1HG       GLU  23   2.232  -7.214   2.846
  202   2HG   GLU  23          2HG       GLU  23   3.413  -6.524   3.958
  203    H    ILE  24           H        ILE  24   1.771  -2.377   2.799
  204    HA   ILE  24           HA       ILE  24   4.258  -2.246   1.424
  205    HB   ILE  24           HB       ILE  24   3.277  -0.859  -0.060
  206   1HG1  ILE  24          1HG1      ILE  24   1.439   0.880   0.819
  207   2HG1  ILE  24          2HG1      ILE  24   2.359   0.688   2.309
  208   1HG2  ILE  24          1HG2      ILE  24   1.499  -2.628   0.872
  209   2HG2  ILE  24          2HG2      ILE  24   0.598  -1.132   1.122
  210   3HG2  ILE  24          3HG2      ILE  24   1.187  -1.548  -0.486
  211   1HD1  ILE  24          1HD1      ILE  24   4.144   1.042   0.098
  212   2HD1  ILE  24          2HD1      ILE  24   2.945   2.339   0.132
  213   3HD1  ILE  24          3HD1      ILE  24   3.946   2.026   1.551
  214    H    GLU  25           H        GLU  25   3.022  -0.778   4.283
  215    HA   GLU  25           HA       GLU  25   4.808   1.449   4.363
  216   1HB   GLU  25          1HB       GLU  25   2.555   1.044   5.634
  217   2HB   GLU  25          2HB       GLU  25   3.582   0.246   6.817
  218   1HG   GLU  25          1HG       GLU  25   4.829   2.686   6.245
  219   2HG   GLU  25          2HG       GLU  25   3.109   3.041   6.405
  220    H    ARG  26           H        ARG  26   4.989  -1.893   5.242
  221    HA   ARG  26           HA       ARG  26   7.246  -1.604   6.998
  222   1HB   ARG  26          1HB       ARG  26   5.426  -3.535   6.777
  223   2HB   ARG  26          2HB       ARG  26   6.626  -4.206   5.680
  224   1HG   ARG  26          1HG       ARG  26   8.287  -3.819   7.608
  225   2HG   ARG  26          2HG       ARG  26   6.845  -3.677   8.616
  226   1HD   ARG  26          1HD       ARG  26   6.334  -5.939   7.151
  227   2HD   ARG  26          2HD       ARG  26   8.075  -6.038   7.413
  228    HE   ARG  26           HE       ARG  26   6.929  -5.416   9.859
  229   1HH1  ARG  26          1HH1      ARG  26   6.831  -8.020   7.549
  230   2HH1  ARG  26          2HH1      ARG  26   6.512  -9.238   8.739
  231   1HH2  ARG  26          1HH2      ARG  26   6.510  -7.011  11.435
  232   2HH2  ARG  26          2HH2      ARG  26   6.328  -8.664  10.949
  233    H    HIS  27           H        HIS  27   6.735  -2.689   3.654
  234    HA   HIS  27           HA       HIS  27   9.509  -3.166   3.166
  235   1HB   HIS  27          1HB       HIS  27   7.015  -3.435   1.714
  236   2HB   HIS  27          2HB       HIS  27   8.276  -2.755   0.690
  237    HD1  HIS  27           HD1      HIS  27  10.669  -4.240   0.982
  238    HD2  HIS  27           HD2      HIS  27   7.025  -6.128   1.635
  239    HE1  HIS  27           HE1      HIS  27  11.132  -6.699   0.734
  240    HE2  HIS  27           HE2      HIS  27   8.912  -7.824   1.133
  241    H    LYS  28           H        LYS  28   7.451  -0.383   2.999
  242    HA   LYS  28           HA       LYS  28   9.248   1.126   1.322
  243   1HB   LYS  28          1HB       LYS  28   7.716   2.909   1.480
  244   2HB   LYS  28          2HB       LYS  28   6.724   1.459   1.441
  245   1HG   LYS  28          1HG       LYS  28   5.705   2.638   3.109
  246   2HG   LYS  28          2HG       LYS  28   6.849   1.674   4.044
  247   1HD   LYS  28          1HD       LYS  28   8.342   3.873   3.422
  248   2HD   LYS  28          2HD       LYS  28   6.731   4.569   3.616
  249   1HE   LYS  28          1HE       LYS  28   7.532   2.628   5.680
  250   2HE   LYS  28          2HE       LYS  28   8.459   4.127   5.651
  251   1HZ   LYS  28          1HZ       LYS  28   5.549   4.337   5.501
  252   2HZ   LYS  28          2HZ       LYS  28   6.218   3.901   6.992
  253   3HZ   LYS  28          3HZ       LYS  28   6.668   5.357   6.257
  254    H    GLN  29           H        GLN  29   8.684   0.628   4.717
  255    HA   GLN  29           HA       GLN  29  10.159   2.879   5.648
  256   1HB   GLN  29          1HB       GLN  29   8.573   1.848   7.129
  257   2HB   GLN  29          2HB       GLN  29   9.363   0.286   6.975
  258   1HG   GLN  29          1HG       GLN  29  11.275   1.064   8.188
  259   2HG   GLN  29          2HG       GLN  29  10.646   2.711   8.207
  260   2HE2  GLN  29          2HE2      GLN  29   9.123   3.283   9.691
  261   1HE2  GLN  29          1HE2      GLN  29   8.596   2.246  10.968
  262    H    SER  30           H        SER  30  10.951  -0.491   4.957
  263    HA   SER  30           HA       SER  30  13.620  -0.349   5.949
  264   1HB   SER  30          1HB       SER  30  13.769  -2.416   4.245
  265   2HB   SER  30          2HB       SER  30  12.994  -2.548   5.824
  266    HG   SER  30           HG       SER  30  11.594  -3.360   4.290
  267    H    ILE  31           H        ILE  31  12.177  -0.064   2.723
  268    HA   ILE  31           HA       ILE  31  14.649   0.278   1.362
  269    HB   ILE  31           HB       ILE  31  12.485  -0.470   0.340
  270   1HG1  ILE  31          1HG1      ILE  31  14.642   0.824  -0.764
  271   2HG1  ILE  31          2HG1      ILE  31  13.399  -0.028  -1.664
  272   1HG2  ILE  31          1HG2      ILE  31  11.162   1.383   1.423
  273   2HG2  ILE  31          2HG2      ILE  31  11.781   2.441   0.156
  274   3HG2  ILE  31          3HG2      ILE  31  10.794   1.043  -0.267
  275   1HD1  ILE  31          1HD1      ILE  31  13.402   2.926  -1.082
  276   2HD1  ILE  31          2HD1      ILE  31  13.901   2.173  -2.598
  277   3HD1  ILE  31          3HD1      ILE  31  12.225   2.047  -2.061
  278    H    LYS  32           H        LYS  32  12.589   2.404   3.146
  279    HA   LYS  32           HA       LYS  32  13.578   4.833   1.959
  280   1HB   LYS  32          1HB       LYS  32  11.654   4.101   4.067
  281   2HB   LYS  32          2HB       LYS  32  12.509   5.610   4.346
  282   1HG   LYS  32          1HG       LYS  32  10.353   5.899   3.181
  283   2HG   LYS  32          2HG       LYS  32  11.732   6.507   2.262
  284   1HD   LYS  32          1HD       LYS  32  11.561   3.917   1.401
  285   2HD   LYS  32          2HD       LYS  32   9.865   4.337   1.647
  286   1HE   LYS  32          1HE       LYS  32  10.888   6.558   0.380
  287   2HE   LYS  32          2HE       LYS  32  11.738   5.226  -0.402
  288   1HZ   LYS  32          1HZ       LYS  32   8.789   5.436  -0.115
  289   2HZ   LYS  32          2HZ       LYS  32   9.659   5.783  -1.525
  290   3HZ   LYS  32          3HZ       LYS  32   9.626   4.205  -0.917
  291    H    LYS  33           H        LYS  33  14.351   2.832   4.725
  292    HA   LYS  33           HA       LYS  33  16.083   4.707   5.992
  293   1HB   LYS  33          1HB       LYS  33  15.662   1.741   6.261
  294   2HB   LYS  33          2HB       LYS  33  16.944   2.562   7.141
  295   1HG   LYS  33          1HG       LYS  33  14.584   4.049   7.551
  296   2HG   LYS  33          2HG       LYS  33  14.177   2.347   7.781
  297   1HD   LYS  33          1HD       LYS  33  16.201   2.188   9.277
  298   2HD   LYS  33          2HD       LYS  33  16.304   3.948   9.190
  299   1HE   LYS  33          1HE       LYS  33  14.095   2.267  10.347
  300   2HE   LYS  33          2HE       LYS  33  15.116   3.442  11.175
  301   1HZ   LYS  33          1HZ       LYS  33  13.932   4.881   9.189
  302   2HZ   LYS  33          2HZ       LYS  33  12.693   3.851   9.707
  303   3HZ   LYS  33          3HZ       LYS  33  13.466   4.869  10.815
  304    H    LEU  34           H        LEU  34  16.520   2.107   3.657
  305    HA   LEU  34           HA       LEU  34  19.363   2.164   3.681
  306   1HB   LEU  34          1HB       LEU  34  17.248   0.849   2.133
  307   2HB   LEU  34          2HB       LEU  34  18.698   1.188   1.208
  308    HG   LEU  34           HG       LEU  34  19.040  -0.125   3.853
  309   1HD1  LEU  34          1HD1      LEU  34  17.710  -1.363   1.485
  310   2HD1  LEU  34          2HD1      LEU  34  18.775  -2.333   2.501
  311   3HD1  LEU  34          3HD1      LEU  34  17.356  -1.555   3.202
  312   1HD2  LEU  34          1HD2      LEU  34  20.365  -0.301   1.155
  313   2HD2  LEU  34          2HD2      LEU  34  21.015   0.405   2.636
  314   3HD2  LEU  34          3HD2      LEU  34  20.780  -1.339   2.519
  315    H    LYS  35           H        LYS  35  16.896   3.718   1.673
  316    HA   LYS  35           HA       LYS  35  18.792   4.937  -0.089
  317   1HB   LYS  35          1HB       LYS  35  16.932   6.047  -1.081
  318   2HB   LYS  35          2HB       LYS  35  16.392   4.426  -0.662
  319   1HG   LYS  35          1HG       LYS  35  14.692   5.313   0.435
  320   2HG   LYS  35          2HG       LYS  35  15.832   6.049   1.562
  321   1HD   LYS  35          1HD       LYS  35  15.956   8.040   0.242
  322   2HD   LYS  35          2HD       LYS  35  15.033   7.294  -1.063
  323   1HE   LYS  35          1HE       LYS  35  13.256   8.282  -0.128
  324   2HE   LYS  35          2HE       LYS  35  13.356   6.998   1.077
  325   1HZ   LYS  35          1HZ       LYS  35  15.048   9.313   1.543
  326   2HZ   LYS  35          2HZ       LYS  35  13.384   9.582   1.683
  327   3HZ   LYS  35          3HZ       LYS  35  14.133   8.403   2.635
  328    H    GLN  36           H        GLN  36  17.425   5.742   2.980
  329    HA   GLN  36           HA       GLN  36  18.032   8.551   2.830
  330   1HB   GLN  36          1HB       GLN  36  16.188   7.595   4.233
  331   2HB   GLN  36          2HB       GLN  36  17.413   6.889   5.278
  332   1HG   GLN  36          1HG       GLN  36  18.291   9.283   5.536
  333   2HG   GLN  36          2HG       GLN  36  16.739   9.775   4.862
  334   2HE2  GLN  36          2HE2      GLN  36  14.947   8.174   5.966
  335   1HE2  GLN  36          1HE2      GLN  36  14.943   8.309   7.689
  336    H    SER  37           H        SER  37  19.651   5.653   3.837
  337    HA   SER  37           HA       SER  37  21.657   6.936   5.421
  338   1HB   SER  37          1HB       SER  37  20.842   4.363   5.185
  339   2HB   SER  37          2HB       SER  37  22.291   4.323   4.181
  340    HG   SER  37           HG       SER  37  22.174   5.286   6.850
  341    H    GLU  38           H        GLU  38  21.228   6.277   2.046
  342    HA   GLU  38           HA       GLU  38  23.967   6.527   1.290
  343   1HB   GLU  38          1HB       GLU  38  22.085   5.419  -0.037
  344   2HB   GLU  38          2HB       GLU  38  21.593   7.044  -0.494
  345   1HG   GLU  38          1HG       GLU  38  24.209   7.141  -1.126
  346   2HG   GLU  38          2HG       GLU  38  23.878   5.431  -1.397
  347    H    ASP  39           H        ASP  39  21.419   8.763   1.968
  348    HA   ASP  39           HA       ASP  39  23.239  10.976   1.345
  349   1HB   ASP  39          1HB       ASP  39  21.392  12.288   0.398
  350   2HB   ASP  39          2HB       ASP  39  21.663  10.815  -0.529
  351    H    ASP  40           H        ASP  40  22.473   9.632   3.831
  352    HA   ASP  40           HA       ASP  40  21.834  10.111   5.964
  353   1HB   ASP  40          1HB       ASP  40  23.339  12.232   5.031
  354   2HB   ASP  40          2HB       ASP  40  21.909  13.022   5.689
  355    H    ASP  41           H        ASP  41  20.363  11.861   7.258
  356    HA   ASP  41           HA       ASP  41  17.736  11.281   6.613
  357   1HB   ASP  41          1HB       ASP  41  18.879  12.360   8.763
  358   2HB   ASP  41          2HB       ASP  41  18.288  13.847   8.026
  359    H1   ALA   1           H1       ALA   1  32.058   9.577  -3.093
  360    H2   ALA   1           H2       ALA   1  31.532  10.150  -1.562
  361    H3   ALA   1           H3       ALA   1  33.071   9.410  -1.717
  362    HA   ALA   1           HA       ALA   1  32.268   7.364  -1.772
  363   1HB   ALA   1          1HB       ALA   1  31.011   9.058   0.078
  364   2HB   ALA   1          2HB       ALA   1  29.764   7.960  -0.512
  365   3HB   ALA   1          3HB       ALA   1  31.244   7.314   0.195
  366    H    LEU   2           H        LEU   2  31.445   6.031  -3.234
  367    HA   LEU   2           HA       LEU   2  28.766   6.421  -4.262
  368   1HB   LEU   2          1HB       LEU   2  29.851   6.027  -6.649
  369   2HB   LEU   2          2HB       LEU   2  29.594   7.635  -5.995
  370    HG   LEU   2           HG       LEU   2  32.215   6.272  -5.528
  371   1HD1  LEU   2          1HD1      LEU   2  31.146   7.179  -8.119
  372   2HD1  LEU   2          2HD1      LEU   2  32.764   7.748  -7.710
  373   3HD1  LEU   2          3HD1      LEU   2  32.423   6.019  -7.757
  374   1HD2  LEU   2          1HD2      LEU   2  31.081   8.807  -4.998
  375   2HD2  LEU   2          2HD2      LEU   2  32.723   8.251  -4.668
  376   3HD2  LEU   2          3HD2      LEU   2  32.348   9.036  -6.203
  377    H    LYS   3           H        LYS   3  29.358   4.425  -2.667
  378    HA   LYS   3           HA       LYS   3  30.526   2.118  -3.688
  379   1HB   LYS   3          1HB       LYS   3  28.099   2.069  -1.907
  380   2HB   LYS   3          2HB       LYS   3  29.441   0.934  -1.951
  381   1HG   LYS   3          1HG       LYS   3  29.410   3.727  -0.852
  382   2HG   LYS   3          2HG       LYS   3  29.718   2.214   0.004
  383   1HD   LYS   3          1HD       LYS   3  31.668   2.107  -1.848
  384   2HD   LYS   3          2HD       LYS   3  31.517   3.856  -1.667
  385   1HE   LYS   3          1HE       LYS   3  32.181   1.811   0.435
  386   2HE   LYS   3          2HE       LYS   3  33.153   3.180  -0.105
  387   1HZ   LYS   3          1HZ       LYS   3  31.081   4.508   0.749
  388   2HZ   LYS   3          2HZ       LYS   3  30.850   3.133   1.705
  389   3HZ   LYS   3          3HZ       LYS   3  32.294   4.011   1.818
  390    H    LYS   4           H        LYS   4  27.201   3.289  -3.981
  391    HA   LYS   4           HA       LYS   4  25.572   2.825  -5.503
  392   1HB   LYS   4          1HB       LYS   4  27.578   1.084  -6.936
  393   2HB   LYS   4          2HB       LYS   4  26.126   1.817  -7.604
  394   1HG   LYS   4          1HG       LYS   4  27.491   3.998  -6.699
  395   2HG   LYS   4          2HG       LYS   4  28.796   2.936  -7.233
  396   1HD   LYS   4          1HD       LYS   4  28.382   3.525  -9.336
  397   2HD   LYS   4          2HD       LYS   4  26.772   2.817  -9.198
  398   1HE   LYS   4          1HE       LYS   4  25.819   4.876  -8.536
  399   2HE   LYS   4          2HE       LYS   4  27.400   5.601  -8.255
  400   1HZ   LYS   4          1HZ       LYS   4  27.215   4.703 -10.926
  401   2HZ   LYS   4          2HZ       LYS   4  25.890   5.696 -10.575
  402   3HZ   LYS   4          3HZ       LYS   4  27.463   6.274 -10.348
  403    H    HIS   5           H        HIS   5  26.367   1.016  -3.181
  404    HA   HIS   5           HA       HIS   5  25.269  -1.535  -4.076
  405   1HB   HIS   5          1HB       HIS   5  26.010  -2.447  -2.012
  406   2HB   HIS   5          2HB       HIS   5  27.295  -1.374  -2.551
  407    HD1  HIS   5           HD1      HIS   5  26.054  -2.325   0.458
  408    HD2  HIS   5           HD2      HIS   5  26.365   1.434  -1.286
  409    HE1  HIS   5           HE1      HIS   5  26.012  -0.691   2.369
  410    HE2  HIS   5           HE2      HIS   5  26.201   1.578   1.290
  411    H    HIS   6           H        HIS   6  24.467   1.232  -2.089
  412    HA   HIS   6           HA       HIS   6  22.200   0.151  -0.809
  413   1HB   HIS   6          1HB       HIS   6  23.098   2.959  -1.416
  414   2HB   HIS   6          2HB       HIS   6  21.533   2.654  -0.669
  415    HD1  HIS   6           HD1      HIS   6  23.089   0.124   0.920
  416    HD2  HIS   6           HD2      HIS   6  23.754   4.223   1.092
  417    HE1  HIS   6           HE1      HIS   6  24.237   0.528   3.120
  418    HE2  HIS   6           HE2      HIS   6  24.630   3.015   3.204
  419    H    GLU   7           H        GLU   7  22.606   1.880  -3.869
  420    HA   GLU   7           HA       GLU   7  19.885   2.128  -4.510
  421   1HB   GLU   7          1HB       GLU   7  20.640   2.451  -6.816
  422   2HB   GLU   7          2HB       GLU   7  21.645   3.358  -5.695
  423   1HG   GLU   7          1HG       GLU   7  23.359   1.619  -5.828
  424   2HG   GLU   7          2HG       GLU   7  22.351   0.720  -6.962
  425    H    ASN   8           H        ASN   8  22.075  -0.554  -4.624
  426    HA   ASN   8           HA       ASN   8  20.636  -2.173  -6.463
  427   1HB   ASN   8          1HB       ASN   8  23.045  -2.367  -5.000
  428   2HB   ASN   8          2HB       ASN   8  22.064  -3.749  -4.521
  429   2HD2  ASN   8          2HD2      ASN   8  24.422  -4.071  -5.880
  430   1HD2  ASN   8          1HD2      ASN   8  24.096  -4.661  -7.471
  431    H    GLU   9           H        GLU   9  20.953  -2.457  -2.910
  432    HA   GLU   9           HA       GLU   9  18.759  -4.250  -2.672
  433   1HB   GLU   9          1HB       GLU   9  20.485  -4.185  -0.970
  434   2HB   GLU   9          2HB       GLU   9  20.125  -2.500  -0.619
  435   1HG   GLU   9          1HG       GLU   9  18.264  -2.998   0.584
  436   2HG   GLU   9          2HG       GLU   9  17.919  -4.457  -0.344
  437    H    ILE  10           H        ILE  10  18.910  -0.924  -3.222
  438    HA   ILE  10           HA       ILE  10  16.396  -0.269  -1.948
  439    HB   ILE  10           HB       ILE  10  18.484   1.286  -3.452
  440   1HG1  ILE  10          1HG1      ILE  10  17.208   1.829  -0.776
  441   2HG1  ILE  10          2HG1      ILE  10  18.613   0.788  -0.976
  442   1HG2  ILE  10          1HG2      ILE  10  16.297   2.076  -4.294
  443   2HG2  ILE  10          2HG2      ILE  10  15.828   2.448  -2.635
  444   3HG2  ILE  10          3HG2      ILE  10  17.181   3.299  -3.382
  445   1HD1  ILE  10          1HD1      ILE  10  19.794   2.722  -2.018
  446   2HD1  ILE  10          2HD1      ILE  10  18.416   3.726  -1.568
  447   3HD1  ILE  10          3HD1      ILE  10  19.377   2.936  -0.318
  448    H    SER  11           H        SER  11  17.633  -1.204  -5.047
  449    HA   SER  11           HA       SER  11  15.368  -0.313  -6.565
  450   1HB   SER  11          1HB       SER  11  17.824  -0.890  -7.351
  451   2HB   SER  11          2HB       SER  11  17.163  -2.517  -7.513
  452    HG   SER  11           HG       SER  11  16.482  -0.168  -8.894
  453    H    HIS  12           H        HIS  12  16.445  -3.331  -5.085
  454    HA   HIS  12           HA       HIS  12  14.281  -4.890  -6.077
  455   1HB   HIS  12          1HB       HIS  12  15.830  -6.404  -5.452
  456   2HB   HIS  12          2HB       HIS  12  16.617  -5.272  -4.367
  457    HD1  HIS  12           HD1      HIS  12  14.051  -8.002  -4.435
  458    HD2  HIS  12           HD2      HIS  12  15.928  -5.515  -1.689
  459    HE1  HIS  12           HE1      HIS  12  13.484  -8.952  -2.175
  460    HE2  HIS  12           HE2      HIS  12  14.632  -7.433  -0.525
  461    H    HIS  13           H        HIS  13  14.937  -3.343  -2.909
  462    HA   HIS  13           HA       HIS  13  12.451  -4.061  -1.772
  463   1HB   HIS  13          1HB       HIS  13  14.232  -1.699  -1.133
  464   2HB   HIS  13          2HB       HIS  13  12.879  -2.247  -0.152
  465    HD1  HIS  13           HD1      HIS  13  13.635  -5.343  -0.437
  466    HD2  HIS  13           HD2      HIS  13  16.122  -2.252   0.784
  467    HE1  HIS  13           HE1      HIS  13  15.431  -6.436   0.947
  468    HE2  HIS  13           HE2      HIS  13  16.931  -4.545   1.674
  469    H    ALA  14           H        ALA  14  13.451  -1.565  -3.964
  470    HA   ALA  14           HA       ALA  14  11.259   0.196  -3.639
  471   1HB   ALA  14          1HB       ALA  14  13.377  -0.214  -5.681
  472   2HB   ALA  14          2HB       ALA  14  12.929   1.242  -4.792
  473   3HB   ALA  14          3HB       ALA  14  11.948   0.705  -6.156
  474    H    LYS  15           H        LYS  15  11.810  -2.696  -5.535
  475    HA   LYS  15           HA       LYS  15   9.398  -2.470  -7.065
  476   1HB   LYS  15          1HB       LYS  15  11.557  -3.826  -7.597
  477   2HB   LYS  15          2HB       LYS  15  10.840  -5.059  -6.568
  478   1HG   LYS  15          1HG       LYS  15   9.086  -5.445  -8.030
  479   2HG   LYS  15          2HG       LYS  15   9.281  -3.885  -8.832
  480   1HD   LYS  15          1HD       LYS  15  10.171  -5.325 -10.399
  481   2HD   LYS  15          2HD       LYS  15  11.614  -4.842  -9.504
  482   1HE   LYS  15          1HE       LYS  15  10.860  -6.970  -8.047
  483   2HE   LYS  15          2HE       LYS  15  10.233  -7.450  -9.622
  484   1HZ   LYS  15          1HZ       LYS  15  12.938  -6.410  -9.622
  485   2HZ   LYS  15          2HZ       LYS  15  12.737  -7.887  -8.825
  486   3HZ   LYS  15          3HZ       LYS  15  12.286  -7.733 -10.449
  487    H    GLU  16           H        GLU  16  10.275  -3.673  -3.942
  488    HA   GLU  16           HA       GLU  16   8.021  -5.392  -3.586
  489   1HB   GLU  16          1HB       GLU  16  10.290  -4.454  -1.970
  490   2HB   GLU  16          2HB       GLU  16   8.824  -4.765  -1.049
  491   1HG   GLU  16          1HG       GLU  16   9.170  -6.946  -1.133
  492   2HG   GLU  16          2HG       GLU  16   9.282  -6.907  -2.893
  493    H    ILE  17           H        ILE  17   8.750  -2.042  -2.627
  494    HA   ILE  17           HA       ILE  17   6.258  -1.701  -1.241
  495    HB   ILE  17           HB       ILE  17   8.098  -0.332  -0.547
  496   1HG1  ILE  17          1HG1      ILE  17   5.935   1.227  -1.970
  497   2HG1  ILE  17          2HG1      ILE  17   6.033   0.816  -0.263
  498   1HG2  ILE  17          1HG2      ILE  17   8.684  -0.213  -3.288
  499   2HG2  ILE  17          2HG2      ILE  17   8.434   1.448  -2.755
  500   3HG2  ILE  17          3HG2      ILE  17   9.628   0.432  -1.946
  501   1HD1  ILE  17          1HD1      ILE  17   8.218   2.268  -0.380
  502   2HD1  ILE  17          2HD1      ILE  17   7.406   2.960  -1.785
  503   3HD1  ILE  17          3HD1      ILE  17   6.628   3.012  -0.203
  504    H    GLU  18           H        GLU  18   7.374  -1.332  -4.511
  505    HA   GLU  18           HA       GLU  18   5.187   0.305  -5.380
  506   1HB   GLU  18          1HB       GLU  18   7.611  -0.771  -6.520
  507   2HB   GLU  18          2HB       GLU  18   6.256  -1.043  -7.606
  508   1HG   GLU  18          1HG       GLU  18   5.998   1.597  -6.716
  509   2HG   GLU  18          2HG       GLU  18   7.710   1.368  -7.071
  510    H    ARG  19           H        ARG  19   5.899  -3.139  -5.301
  511    HA   ARG  19           HA       ARG  19   3.640  -3.906  -6.874
  512   1HB   ARG  19          1HB       ARG  19   5.550  -5.381  -6.743
  513   2HB   ARG  19          2HB       ARG  19   5.408  -5.477  -4.994
  514   1HG   ARG  19          1HG       ARG  19   3.201  -6.572  -5.286
  515   2HG   ARG  19          2HG       ARG  19   3.484  -6.580  -7.028
  516   1HD   ARG  19          1HD       ARG  19   4.651  -8.458  -6.838
  517   2HD   ARG  19          2HD       ARG  19   5.784  -7.653  -5.752
  518    HE   ARG  19           HE       ARG  19   3.623  -8.310  -4.193
  519   1HH1  ARG  19          1HH1      ARG  19   5.879 -10.035  -6.207
  520   2HH1  ARG  19          2HH1      ARG  19   5.803 -11.491  -5.272
  521   1HH2  ARG  19          1HH2      ARG  19   3.514 -10.222  -2.952
  522   2HH2  ARG  19          2HH2      ARG  19   4.457 -11.597  -3.420
  523    H    LEU  20           H        LEU  20   4.325  -3.737  -3.403
  524    HA   LEU  20           HA       LEU  20   1.825  -4.798  -2.587
  525   1HB   LEU  20          1HB       LEU  20   4.218  -3.993  -1.354
  526   2HB   LEU  20          2HB       LEU  20   2.970  -2.976  -0.662
  527    HG   LEU  20           HG       LEU  20   1.779  -4.842   0.195
  528   1HD1  LEU  20          1HD1      LEU  20   3.207  -6.281  -1.899
  529   2HD1  LEU  20          2HD1      LEU  20   3.162  -7.143  -0.361
  530   3HD1  LEU  20          3HD1      LEU  20   1.659  -6.633  -1.132
  531   1HD2  LEU  20          1HD2      LEU  20   3.892  -4.156   1.369
  532   2HD2  LEU  20          2HD2      LEU  20   3.341  -5.796   1.708
  533   3HD2  LEU  20          3HD2      LEU  20   4.682  -5.528   0.595
  534    H    GLN  21           H        GLN  21   3.003  -1.602  -3.378
  535    HA   GLN  21           HA       GLN  21   0.862  -0.110  -2.301
  536   1HB   GLN  21          1HB       GLN  21   2.919   0.993  -2.920
  537   2HB   GLN  21          2HB       GLN  21   2.746   0.478  -4.592
  538   1HG   GLN  21          1HG       GLN  21   0.482   2.025  -3.576
  539   2HG   GLN  21          2HG       GLN  21   2.010   2.904  -3.607
  540   2HE2  GLN  21          2HE2      GLN  21   3.255   2.055  -5.791
  541   1HE2  GLN  21          1HE2      GLN  21   2.331   2.380  -7.214
  542    H    LYS  22           H        LYS  22   1.402  -1.594  -5.467
  543    HA   LYS  22           HA       LYS  22  -0.867  -0.572  -6.764
  544   1HB   LYS  22          1HB       LYS  22   0.916  -1.665  -8.000
  545   2HB   LYS  22          2HB       LYS  22   0.598  -3.185  -7.176
  546   1HG   LYS  22          1HG       LYS  22  -1.833  -2.687  -8.239
  547   2HG   LYS  22          2HG       LYS  22  -0.786  -1.937  -9.446
  548   1HD   LYS  22          1HD       LYS  22  -0.594  -3.996 -10.304
  549   2HD   LYS  22          2HD       LYS  22   0.490  -4.313  -8.948
  550   1HE   LYS  22          1HE       LYS  22  -0.920  -5.824  -8.139
  551   2HE   LYS  22          2HE       LYS  22  -2.208  -4.622  -8.071
  552   1HZ   LYS  22          1HZ       LYS  22  -1.498  -6.232 -10.465
  553   2HZ   LYS  22          2HZ       LYS  22  -2.804  -6.541  -9.437
  554   3HZ   LYS  22          3HZ       LYS  22  -2.769  -5.120 -10.353
  555    H    GLU  23           H        GLU  23  -0.393  -3.558  -4.903
  556    HA   GLU  23           HA       GLU  23  -2.927  -4.665  -5.251
  557   1HB   GLU  23          1HB       GLU  23  -0.670  -5.374  -3.880
  558   2HB   GLU  23          2HB       GLU  23  -1.778  -5.007  -2.564
  559   1HG   GLU  23          1HG       GLU  23  -2.230  -7.213  -2.849
  560   2HG   GLU  23          2HG       GLU  23  -3.411  -6.521  -3.961
  561    H    ILE  24           H        ILE  24  -1.771  -2.374  -2.801
  562    HA   ILE  24           HA       ILE  24  -4.258  -2.245  -1.426
  563    HB   ILE  24           HB       ILE  24  -3.277  -0.859   0.059
  564   1HG1  ILE  24          1HG1      ILE  24  -1.439   0.882  -0.819
  565   2HG1  ILE  24          2HG1      ILE  24  -2.359   0.690  -2.309
  566   1HG2  ILE  24          1HG2      ILE  24  -1.499  -2.627  -0.873
  567   2HG2  ILE  24          2HG2      ILE  24  -0.599  -1.132  -1.123
  568   3HG2  ILE  24          3HG2      ILE  24  -1.187  -1.548   0.485
  569   1HD1  ILE  24          1HD1      ILE  24  -4.144   1.043  -0.099
  570   2HD1  ILE  24          2HD1      ILE  24  -2.946   2.339  -0.129
  571   3HD1  ILE  24          3HD1      ILE  24  -3.946   2.028  -1.549
  572    H    GLU  25           H        GLU  25  -3.022  -0.774  -4.284
  573    HA   GLU  25           HA       GLU  25  -4.808   1.452  -4.362
  574   1HB   GLU  25          1HB       GLU  25  -2.555   1.048  -5.635
  575   2HB   GLU  25          2HB       GLU  25  -3.582   0.251  -6.818
  576   1HG   GLU  25          1HG       GLU  25  -4.830   2.689  -6.244
  577   2HG   GLU  25          2HG       GLU  25  -3.111   3.046  -6.402
  578    H    ARG  26           H        ARG  26  -4.989  -1.889  -5.243
  579    HA   ARG  26           HA       ARG  26  -7.246  -1.600  -6.998
  580   1HB   ARG  26          1HB       ARG  26  -5.425  -3.532  -6.777
  581   2HB   ARG  26          2HB       ARG  26  -6.628  -4.202  -5.681
  582   1HG   ARG  26          1HG       ARG  26  -8.287  -3.814  -7.610
  583   2HG   ARG  26          2HG       ARG  26  -6.844  -3.672  -8.617
  584   1HD   ARG  26          1HD       ARG  26  -6.333  -5.934  -7.154
  585   2HD   ARG  26          2HD       ARG  26  -8.075  -6.034  -7.415
  586    HE   ARG  26           HE       ARG  26  -6.928  -5.410  -9.862
  587   1HH1  ARG  26          1HH1      ARG  26  -6.831  -8.016  -7.554
  588   2HH1  ARG  26          2HH1      ARG  26  -6.512  -9.233  -8.745
  589   1HH2  ARG  26          1HH2      ARG  26  -6.509  -7.003 -11.439
  590   2HH2  ARG  26          2HH2      ARG  26  -6.328  -8.656 -10.955
  591    H    HIS  27           H        HIS  27  -6.735  -2.689  -3.656
  592    HA   HIS  27           HA       HIS  27  -9.509  -3.165  -3.169
  593   1HB   HIS  27          1HB       HIS  27  -7.014  -3.435  -1.716
  594   2HB   HIS  27          2HB       HIS  27  -8.275  -2.755  -0.692
  595    HD1  HIS  27           HD1      HIS  27 -10.668  -4.239  -0.979
  596    HD2  HIS  27           HD2      HIS  27  -7.027  -6.128  -1.642
  597    HE1  HIS  27           HE1      HIS  27 -11.133  -6.698  -0.734
  598    HE2  HIS  27           HE2      HIS  27  -8.914  -7.823  -1.140
  599    H    LYS  28           H        LYS  28  -7.451  -0.382  -2.997
  600    HA   LYS  28           HA       LYS  28  -9.248   1.127  -1.322
  601   1HB   LYS  28          1HB       LYS  28  -7.716   2.909  -1.478
  602   2HB   LYS  28          2HB       LYS  28  -6.724   1.459  -1.440
  603   1HG   LYS  28          1HG       LYS  28  -5.705   2.639  -3.107
  604   2HG   LYS  28          2HG       LYS  28  -6.848   1.676  -4.042
  605   1HD   LYS  28          1HD       LYS  28  -8.342   3.874  -3.418
  606   2HD   LYS  28          2HD       LYS  28  -6.732   4.570  -3.611
  607   1HE   LYS  28          1HE       LYS  28  -7.534   2.632  -5.677
  608   2HE   LYS  28          2HE       LYS  28  -8.459   4.132  -5.647
  609   1HZ   LYS  28          1HZ       LYS  28  -5.550   4.339  -5.496
  610   2HZ   LYS  28          2HZ       LYS  28  -6.218   3.904  -6.988
  611   3HZ   LYS  28          3HZ       LYS  28  -6.668   5.359  -6.253
  612    H    GLN  29           H        GLN  29  -8.684   0.631  -4.716
  613    HA   GLN  29           HA       GLN  29 -10.159   2.883  -5.646
  614   1HB   GLN  29          1HB       GLN  29  -8.573   1.851  -7.128
  615   2HB   GLN  29          2HB       GLN  29  -9.364   0.289  -6.976
  616   1HG   GLN  29          1HG       GLN  29 -11.275   1.070  -8.189
  617   2HG   GLN  29          2HG       GLN  29 -10.646   2.716  -8.206
  618   2HE2  GLN  29          2HE2      GLN  29  -9.123   3.289  -9.688
  619   1HE2  GLN  29          1HE2      GLN  29  -8.594   2.254 -10.966
  620    H    SER  30           H        SER  30 -10.952  -0.489  -4.958
  621    HA   SER  30           HA       SER  30 -13.620  -0.344  -5.949
  622   1HB   SER  30          1HB       SER  30 -13.774  -2.414  -4.252
  623   2HB   SER  30          2HB       SER  30 -12.991  -2.544  -5.827
  624    HG   SER  30           HG       SER  30 -11.597  -3.358  -4.292
  625    H    ILE  31           H        ILE  31 -12.177  -0.062  -2.723
  626    HA   ILE  31           HA       ILE  31 -14.650   0.279  -1.362
  627    HB   ILE  31           HB       ILE  31 -12.486  -0.471  -0.342
  628   1HG1  ILE  31          1HG1      ILE  31 -14.643   0.824   0.765
  629   2HG1  ILE  31          2HG1      ILE  31 -13.400  -0.030   1.664
  630   1HG2  ILE  31          1HG2      ILE  31 -11.162   1.382  -1.423
  631   2HG2  ILE  31          2HG2      ILE  31 -11.780   2.440  -0.156
  632   3HG2  ILE  31          3HG2      ILE  31 -10.794   1.041   0.268
  633   1HD1  ILE  31          1HD1      ILE  31 -13.400   2.924   1.084
  634   2HD1  ILE  31          2HD1      ILE  31 -13.900   2.171   2.600
  635   3HD1  ILE  31          3HD1      ILE  31 -12.224   2.045   2.063
  636    H    LYS  32           H        LYS  32 -12.589   2.406  -3.145
  637    HA   LYS  32           HA       LYS  32 -13.577   4.834  -1.956
  638   1HB   LYS  32          1HB       LYS  32 -11.653   4.103  -4.064
  639   2HB   LYS  32          2HB       LYS  32 -12.508   5.612  -4.343
  640   1HG   LYS  32          1HG       LYS  32 -10.354   5.905  -3.177
  641   2HG   LYS  32          2HG       LYS  32 -11.734   6.507  -2.257
  642   1HD   LYS  32          1HD       LYS  32 -11.557   3.917  -1.399
  643   2HD   LYS  32          2HD       LYS  32  -9.862   4.341  -1.646
  644   1HE   LYS  32          1HE       LYS  32 -10.886   6.557  -0.375
  645   2HE   LYS  32          2HE       LYS  32 -11.735   5.224   0.405
  646   1HZ   LYS  32          1HZ       LYS  32  -8.787   5.436   0.119
  647   2HZ   LYS  32          2HZ       LYS  32  -9.656   5.780   1.528
  648   3HZ   LYS  32          3HZ       LYS  32  -9.623   4.203   0.919
  649    H    LYS  33           H        LYS  33 -14.350   2.836  -4.724
  650    HA   LYS  33           HA       LYS  33 -16.082   4.711  -5.989
  651   1HB   LYS  33          1HB       LYS  33 -15.660   1.745  -6.258
  652   2HB   LYS  33          2HB       LYS  33 -16.943   2.566  -7.138
  653   1HG   LYS  33          1HG       LYS  33 -14.582   4.052  -7.548
  654   2HG   LYS  33          2HG       LYS  33 -14.176   2.350  -7.779
  655   1HD   LYS  33          1HD       LYS  33 -16.201   2.193  -9.277
  656   2HD   LYS  33          2HD       LYS  33 -16.304   3.953  -9.187
  657   1HE   LYS  33          1HE       LYS  33 -14.094   2.273 -10.346
  658   2HE   LYS  33          2HE       LYS  33 -15.116   3.448 -11.173
  659   1HZ   LYS  33          1HZ       LYS  33 -13.932   4.887  -9.187
  660   2HZ   LYS  33          2HZ       LYS  33 -12.693   3.858  -9.705
  661   3HZ   LYS  33          3HZ       LYS  33 -13.466   4.876 -10.812
  662    H    LEU  34           H        LEU  34 -16.521   2.110  -3.657
  663    HA   LEU  34           HA       LEU  34 -19.363   2.167  -3.680
  664   1HB   LEU  34          1HB       LEU  34 -17.249   0.850  -2.133
  665   2HB   LEU  34          2HB       LEU  34 -18.698   1.190  -1.208
  666    HG   LEU  34           HG       LEU  34 -19.041  -0.122  -3.855
  667   1HD1  LEU  34          1HD1      LEU  34 -17.707  -1.358  -1.490
  668   2HD1  LEU  34          2HD1      LEU  34 -18.781  -2.330  -2.497
  669   3HD1  LEU  34          3HD1      LEU  34 -17.363  -1.558  -3.209
  670   1HD2  LEU  34          1HD2      LEU  34 -20.368  -0.297  -1.158
  671   2HD2  LEU  34          2HD2      LEU  34 -21.016   0.410  -2.639
  672   3HD2  LEU  34          3HD2      LEU  34 -20.783  -1.335  -2.521
  673    H    LYS  35           H        LYS  35 -16.896   3.720  -1.671
  674    HA   LYS  35           HA       LYS  35 -18.792   4.938   0.092
  675   1HB   LYS  35          1HB       LYS  35 -16.932   6.048   1.084
  676   2HB   LYS  35          2HB       LYS  35 -16.392   4.428   0.664
  677   1HG   LYS  35          1HG       LYS  35 -14.692   5.315  -0.432
  678   2HG   LYS  35          2HG       LYS  35 -15.832   6.054  -1.560
  679   1HD   LYS  35          1HD       LYS  35 -15.956   8.042  -0.235
  680   2HD   LYS  35          2HD       LYS  35 -15.032   7.294   1.069
  681   1HE   LYS  35          1HE       LYS  35 -13.257   8.286   0.135
  682   2HE   LYS  35          2HE       LYS  35 -13.354   7.002  -1.071
  683   1HZ   LYS  35          1HZ       LYS  35 -15.048   9.316  -1.536
  684   2HZ   LYS  35          2HZ       LYS  35 -13.384   9.586  -1.677
  685   3HZ   LYS  35          3HZ       LYS  35 -14.133   8.406  -2.628
  686    H    GLN  36           H        GLN  36 -17.425   5.745  -2.977
  687    HA   GLN  36           HA       GLN  36 -18.031   8.554  -2.826
  688   1HB   GLN  36          1HB       GLN  36 -16.187   7.599  -4.228
  689   2HB   GLN  36          2HB       GLN  36 -17.412   6.893  -5.273
  690   1HG   GLN  36          1HG       GLN  36 -18.292   9.286  -5.530
  691   2HG   GLN  36          2HG       GLN  36 -16.739   9.779  -4.857
  692   2HE2  GLN  36          2HE2      GLN  36 -14.948   8.178  -5.963
  693   1HE2  GLN  36          1HE2      GLN  36 -14.945   8.314  -7.686
  694    H    SER  37           H        SER  37 -19.653   5.657  -3.836
  695    HA   SER  37           HA       SER  37 -21.658   6.943  -5.418
  696   1HB   SER  37          1HB       SER  37 -20.846   4.369  -5.184
  697   2HB   SER  37          2HB       SER  37 -22.294   4.330  -4.179
  698    HG   SER  37           HG       SER  37 -22.175   5.292  -6.849
  699    H    GLU  38           H        GLU  38 -21.230   6.275  -2.043
  700    HA   GLU  38           HA       GLU  38 -23.967   6.527  -1.284
  701   1HB   GLU  38          1HB       GLU  38 -22.084   5.420   0.041
  702   2HB   GLU  38          2HB       GLU  38 -21.592   7.046   0.498
  703   1HG   GLU  38          1HG       GLU  38 -24.209   7.140   1.131
  704   2HG   GLU  38          2HG       GLU  38 -23.876   5.430   1.401
  705    H    ASP  39           H        ASP  39 -21.420   8.764  -1.963
  706    HA   ASP  39           HA       ASP  39 -23.240  10.977  -1.339
  707   1HB   ASP  39          1HB       ASP  39 -21.393  12.288  -0.391
  708   2HB   ASP  39          2HB       ASP  39 -21.663  10.815   0.534
  709    H    ASP  40           H        ASP  40 -22.471   9.634  -3.825
  710    HA   ASP  40           HA       ASP  40 -21.833  10.114  -5.959
  711   1HB   ASP  40          1HB       ASP  40 -23.341  12.232  -5.027
  712   2HB   ASP  40          2HB       ASP  40 -21.911  13.026  -5.679
  713    H    ASP  41           H        ASP  41 -20.362  11.863  -7.252
  714    HA   ASP  41           HA       ASP  41 -17.735  11.286  -6.607
  715   1HB   ASP  41          1HB       ASP  41 -18.878  12.365  -8.755
  716   2HB   ASP  41          2HB       ASP  41 -18.288  13.852  -8.019

  No H/Q in entry =         716
  Start of MODEL   24
    1    H1   ALA   1           H1       ALA   1 -34.509  -9.663  -1.885
    2    H2   ALA   1           H2       ALA   1 -34.793  -8.468  -3.085
    3    H3   ALA   1           H3       ALA   1 -34.006  -9.935  -3.502
    4    HA   ALA   1           HA       ALA   1 -32.351  -8.366  -3.387
    5   1HB   ALA   1          1HB       ALA   1 -32.304  -7.247  -0.889
    6   2HB   ALA   1          2HB       ALA   1 -34.028  -7.287  -1.257
    7   3HB   ALA   1          3HB       ALA   1 -32.911  -6.468  -2.350
    8    H    LEU   2           H        LEU   2 -30.350  -8.425  -2.031
    9    HA   LEU   2           HA       LEU   2 -30.064 -10.166   0.155
   10   1HB   LEU   2          1HB       LEU   2 -30.628 -11.883  -1.514
   11   2HB   LEU   2          2HB       LEU   2 -29.285 -11.354  -2.509
   12    HG   LEU   2           HG       LEU   2 -28.349 -11.993   0.138
   13   1HD1  LEU   2          1HD1      LEU   2 -30.469 -13.454  -0.089
   14   2HD1  LEU   2          2HD1      LEU   2 -29.514 -14.371  -1.254
   15   3HD1  LEU   2          3HD1      LEU   2 -28.958 -14.210   0.412
   16   1HD2  LEU   2          1HD2      LEU   2 -27.749 -12.595  -2.680
   17   2HD2  LEU   2          2HD2      LEU   2 -26.670 -12.166  -1.352
   18   3HD2  LEU   2          3HD2      LEU   2 -27.250 -13.823  -1.516
   19    H    LYS   3           H        LYS   3 -29.147  -7.609  -0.679
   20    HA   LYS   3           HA       LYS   3 -26.280  -8.005  -1.131
   21   1HB   LYS   3          1HB       LYS   3 -28.188  -5.941  -1.828
   22   2HB   LYS   3          2HB       LYS   3 -26.798  -5.259  -0.992
   23   1HG   LYS   3          1HG       LYS   3 -26.073  -5.165  -3.153
   24   2HG   LYS   3          2HG       LYS   3 -25.451  -6.748  -2.681
   25   1HD   LYS   3          1HD       LYS   3 -28.194  -6.710  -3.768
   26   2HD   LYS   3          2HD       LYS   3 -26.906  -6.313  -4.908
   27   1HE   LYS   3          1HE       LYS   3 -26.386  -8.640  -3.189
   28   2HE   LYS   3          2HE       LYS   3 -27.721  -8.833  -4.323
   29   1HZ   LYS   3          1HZ       LYS   3 -24.995  -7.947  -5.093
   30   2HZ   LYS   3          2HZ       LYS   3 -25.547  -9.542  -5.216
   31   3HZ   LYS   3          3HZ       LYS   3 -26.272  -8.321  -6.136
   32    H    LYS   4           H        LYS   4 -25.826  -8.796   0.977
   33    HA   LYS   4           HA       LYS   4 -25.787  -6.677   3.023
   34   1HB   LYS   4          1HB       LYS   4 -27.277  -8.938   3.237
   35   2HB   LYS   4          2HB       LYS   4 -25.774  -9.469   3.981
   36   1HG   LYS   4          1HG       LYS   4 -26.004  -7.210   5.300
   37   2HG   LYS   4          2HG       LYS   4 -27.707  -7.394   4.874
   38   1HD   LYS   4          1HD       LYS   4 -27.806  -8.628   6.752
   39   2HD   LYS   4          2HD       LYS   4 -27.109  -9.896   5.742
   40   1HE   LYS   4          1HE       LYS   4 -24.875  -8.576   6.511
   41   2HE   LYS   4          2HE       LYS   4 -25.903  -8.329   7.922
   42   1HZ   LYS   4          1HZ       LYS   4 -26.026 -11.022   7.026
   43   2HZ   LYS   4          2HZ       LYS   4 -24.424 -10.570   7.329
   44   3HZ   LYS   4          3HZ       LYS   4 -25.591 -10.419   8.546
   45    H    HIS   5           H        HIS   5 -24.187  -9.515   1.674
   46    HA   HIS   5           HA       HIS   5 -21.944  -9.575   3.338
   47   1HB   HIS   5          1HB       HIS   5 -20.859 -10.837   1.538
   48   2HB   HIS   5          2HB       HIS   5 -22.512 -11.388   1.785
   49    HD1  HIS   5           HD1      HIS   5 -20.765 -11.630  -0.895
   50    HD2  HIS   5           HD2      HIS   5 -23.817  -8.913  -0.141
   51    HE1  HIS   5           HE1      HIS   5 -21.618 -10.933  -3.156
   52    HE2  HIS   5           HE2      HIS   5 -23.467  -9.290  -2.676
   53    H    HIS   6           H        HIS   6 -22.778  -7.448   0.723
   54    HA   HIS   6           HA       HIS   6 -20.192  -6.533   0.077
   55   1HB   HIS   6          1HB       HIS   6 -21.241  -4.812  -1.151
   56   2HB   HIS   6          2HB       HIS   6 -22.349  -6.175  -1.239
   57    HD1  HIS   6           HD1      HIS   6 -24.698  -5.769  -0.477
   58    HD2  HIS   6           HD2      HIS   6 -22.100  -2.753   0.714
   59    HE1  HIS   6           HE1      HIS   6 -26.157  -3.970   0.503
   60    HE2  HIS   6           HE2      HIS   6 -24.564  -2.160   1.226
   61    H    GLU   7           H        GLU   7 -22.465  -5.623   2.586
   62    HA   GLU   7           HA       GLU   7 -21.288  -3.211   3.392
   63   1HB   GLU   7          1HB       GLU   7 -23.490  -3.868   4.171
   64   2HB   GLU   7          2HB       GLU   7 -22.815  -5.263   5.003
   65   1HG   GLU   7          1HG       GLU   7 -21.432  -3.524   6.313
   66   2HG   GLU   7          2HG       GLU   7 -22.618  -2.367   5.713
   67    H    ASN   8           H        ASN   8 -20.593  -6.557   4.260
   68    HA   ASN   8           HA       ASN   8 -18.729  -5.971   6.317
   69   1HB   ASN   8          1HB       ASN   8 -18.900  -8.441   4.572
   70   2HB   ASN   8          2HB       ASN   8 -18.041  -8.314   6.103
   71   2HD2  ASN   8          2HD2      ASN   8 -19.451 -10.200   6.542
   72   1HD2  ASN   8          1HD2      ASN   8 -21.020  -9.896   7.200
   73    H    GLU   9           H        GLU   9 -18.262  -6.985   2.935
   74    HA   GLU   9           HA       GLU   9 -15.476  -6.670   2.885
   75   1HB   GLU   9          1HB       GLU   9 -17.136  -7.734   1.152
   76   2HB   GLU   9          2HB       GLU   9 -17.146  -6.117   0.460
   77   1HG   GLU   9          1HG       GLU   9 -15.336  -6.685  -0.674
   78   2HG   GLU   9          2HG       GLU   9 -14.458  -6.698   0.855
   79    H    ILE  10           H        ILE  10 -18.000  -4.360   2.978
   80    HA   ILE  10           HA       ILE  10 -16.660  -2.218   1.681
   81    HB   ILE  10           HB       ILE  10 -19.236  -2.709   2.673
   82   1HG1  ILE  10          1HG1      ILE  10 -18.868   0.015   1.758
   83   2HG1  ILE  10          2HG1      ILE  10 -17.987  -1.140   0.761
   84   1HG2  ILE  10          1HG2      ILE  10 -18.677  -1.717   4.827
   85   2HG2  ILE  10          2HG2      ILE  10 -18.152  -0.242   4.018
   86   3HG2  ILE  10          3HG2      ILE  10 -19.844  -0.731   3.948
   87   1HD1  ILE  10          1HD1      ILE  10 -20.178  -2.455   0.691
   88   2HD1  ILE  10          2HD1      ILE  10 -20.926  -0.972   1.285
   89   3HD1  ILE  10          3HD1      ILE  10 -20.070  -0.970  -0.256
   90    H    SER  11           H        SER  11 -17.238  -2.989   5.118
   91    HA   SER  11           HA       SER  11 -15.723  -0.854   6.155
   92   1HB   SER  11          1HB       SER  11 -16.263  -3.539   7.444
   93   2HB   SER  11          2HB       SER  11 -15.800  -2.054   8.275
   94    HG   SER  11           HG       SER  11 -18.231  -2.873   7.680
   95    H    HIS  12           H        HIS  12 -14.833  -4.003   4.969
   96    HA   HIS  12           HA       HIS  12 -12.233  -4.034   6.136
   97   1HB   HIS  12          1HB       HIS  12 -12.612  -6.191   5.607
   98   2HB   HIS  12          2HB       HIS  12 -13.856  -5.766   4.446
   99    HD1  HIS  12           HD1      HIS  12 -10.205  -6.564   4.704
  100    HD2  HIS  12           HD2      HIS  12 -13.039  -5.730   1.785
  101    HE1  HIS  12           HE1      HIS  12  -9.107  -7.149   2.517
  102    HE2  HIS  12           HE2      HIS  12 -10.841  -6.638   0.761
  103    H    HIS  13           H        HIS  13 -13.510  -3.103   2.949
  104    HA   HIS  13           HA       HIS  13 -11.030  -2.581   1.737
  105   1HB   HIS  13          1HB       HIS  13 -13.676  -1.217   1.225
  106   2HB   HIS  13          2HB       HIS  13 -12.278  -1.171   0.162
  107    HD1  HIS  13           HD1      HIS  13 -11.740  -4.350   0.569
  108    HD2  HIS  13           HD2      HIS  13 -15.224  -2.467  -0.666
  109    HE1  HIS  13           HE1      HIS  13 -13.008  -6.086  -0.740
  110    HE2  HIS  13           HE2      HIS  13 -15.121  -4.926  -1.480
  111    H    ALA  14           H        ALA  14 -13.036  -0.697   3.905
  112    HA   ALA  14           HA       ALA  14 -11.774   1.803   3.509
  113   1HB   ALA  14          1HB       ALA  14 -13.319   0.684   5.844
  114   2HB   ALA  14          2HB       ALA  14 -12.732   2.345   5.774
  115   3HB   ALA  14          3HB       ALA  14 -13.900   1.772   4.584
  116    H    LYS  15           H        LYS  15 -11.370  -0.604   6.111
  117    HA   LYS  15           HA       LYS  15  -9.119   0.658   7.261
  118   1HB   LYS  15          1HB       LYS  15 -10.558  -1.878   7.582
  119   2HB   LYS  15          2HB       LYS  15  -8.834  -2.004   7.907
  120   1HG   LYS  15          1HG       LYS  15  -9.426   0.236   9.288
  121   2HG   LYS  15          2HG       LYS  15 -10.953  -0.639   9.419
  122   1HD   LYS  15          1HD       LYS  15  -8.812  -2.469   9.858
  123   2HD   LYS  15          2HD       LYS  15  -8.556  -1.050  10.876
  124   1HE   LYS  15          1HE       LYS  15 -11.316  -2.058  10.806
  125   2HE   LYS  15          2HE       LYS  15 -10.142  -3.153  11.532
  126   1HZ   LYS  15          1HZ       LYS  15  -9.801  -0.470  12.440
  127   2HZ   LYS  15          2HZ       LYS  15 -11.362  -1.036  12.759
  128   3HZ   LYS  15          3HZ       LYS  15 -10.018  -1.887  13.336
  129    H    GLU  16           H        GLU  16  -9.511  -1.136   4.391
  130    HA   GLU  16           HA       GLU  16  -6.810  -2.127   4.270
  131   1HB   GLU  16          1HB       GLU  16  -8.953  -3.136   3.187
  132   2HB   GLU  16          2HB       GLU  16  -8.662  -1.959   1.914
  133   1HG   GLU  16          1HG       GLU  16  -7.742  -4.249   1.502
  134   2HG   GLU  16          2HG       GLU  16  -6.581  -2.930   1.361
  135    H    ILE  17           H        ILE  17  -8.628   0.641   3.038
  136    HA   ILE  17           HA       ILE  17  -6.535   1.475   1.260
  137    HB   ILE  17           HB       ILE  17  -7.852   3.312   0.711
  138   1HG1  ILE  17          1HG1      ILE  17  -9.920   3.800   2.355
  139   2HG1  ILE  17          2HG1      ILE  17  -8.776   3.179   3.541
  140   1HG2  ILE  17          1HG2      ILE  17  -9.030   0.821   0.866
  141   2HG2  ILE  17          2HG2      ILE  17 -10.255   1.916   1.506
  142   3HG2  ILE  17          3HG2      ILE  17  -9.581   2.189  -0.100
  143   1HD1  ILE  17          1HD1      ILE  17  -7.296   4.982   2.054
  144   2HD1  ILE  17          2HD1      ILE  17  -8.873   5.750   2.237
  145   3HD1  ILE  17          3HD1      ILE  17  -7.972   5.238   3.663
  146    H    GLU  18           H        GLU  18  -7.463   2.192   4.573
  147    HA   GLU  18           HA       GLU  18  -5.562   4.322   4.885
  148   1HB   GLU  18          1HB       GLU  18  -7.565   2.961   6.556
  149   2HB   GLU  18          2HB       GLU  18  -6.141   3.503   7.433
  150   1HG   GLU  18          1HG       GLU  18  -6.572   5.748   6.180
  151   2HG   GLU  18          2HG       GLU  18  -8.202   5.101   5.994
  152    H    ARG  19           H        ARG  19  -5.703   0.888   5.708
  153    HA   ARG  19           HA       ARG  19  -3.195   0.844   7.058
  154   1HB   ARG  19          1HB       ARG  19  -4.910  -1.339   5.872
  155   2HB   ARG  19          2HB       ARG  19  -3.403  -1.661   6.719
  156   1HG   ARG  19          1HG       ARG  19  -5.303   0.034   8.178
  157   2HG   ARG  19          2HG       ARG  19  -5.842  -1.620   7.883
  158   1HD   ARG  19          1HD       ARG  19  -4.718  -1.948   9.836
  159   2HD   ARG  19          2HD       ARG  19  -3.386  -2.172   8.703
  160    HE   ARG  19           HE       ARG  19  -3.641   0.548   9.512
  161   1HH1  ARG  19          1HH1      ARG  19  -2.447  -2.566  10.516
  162   2HH1  ARG  19          2HH1      ARG  19  -1.239  -1.907  11.568
  163   1HH2  ARG  19          1HH2      ARG  19  -2.055   1.425  10.893
  164   2HH2  ARG  19          2HH2      ARG  19  -1.016   0.363  11.783
  165    H    LEU  20           H        LEU  20  -4.193   0.644   3.747
  166    HA   LEU  20           HA       LEU  20  -1.817  -0.560   2.736
  167   1HB   LEU  20          1HB       LEU  20  -4.236   0.696   1.622
  168   2HB   LEU  20          2HB       LEU  20  -2.802   0.872   0.634
  169    HG   LEU  20           HG       LEU  20  -4.334  -1.124   0.163
  170   1HD1  LEU  20          1HD1      LEU  20  -1.979  -0.784  -0.651
  171   2HD1  LEU  20          2HD1      LEU  20  -1.450  -1.792   0.697
  172   3HD1  LEU  20          3HD1      LEU  20  -2.512  -2.461  -0.542
  173   1HD2  LEU  20          1HD2      LEU  20  -3.870  -1.602   2.881
  174   2HD2  LEU  20          2HD2      LEU  20  -4.689  -2.657   1.730
  175   3HD2  LEU  20          3HD2      LEU  20  -2.959  -2.840   2.015
  176    H    GLN  21           H        GLN  21  -2.965   2.770   3.097
  177    HA   GLN  21           HA       GLN  21  -0.819   4.059   1.842
  178   1HB   GLN  21          1HB       GLN  21  -3.027   5.069   2.611
  179   2HB   GLN  21          2HB       GLN  21  -2.318   5.155   4.218
  180   1HG   GLN  21          1HG       GLN  21  -0.402   6.429   3.021
  181   2HG   GLN  21          2HG       GLN  21  -1.600   6.670   1.751
  182   2HE2  GLN  21          2HE2      GLN  21  -3.491   7.851   2.231
  183   1HE2  GLN  21          1HE2      GLN  21  -3.539   8.961   3.553
  184    H    LYS  22           H        LYS  22  -1.306   3.254   5.282
  185    HA   LYS  22           HA       LYS  22   1.155   4.302   6.169
  186   1HB   LYS  22          1HB       LYS  22  -0.983   3.436   7.474
  187   2HB   LYS  22          2HB       LYS  22  -0.054   1.946   7.547
  188   1HG   LYS  22          1HG       LYS  22   1.670   4.081   8.263
  189   2HG   LYS  22          2HG       LYS  22   0.168   4.264   9.168
  190   1HD   LYS  22          1HD       LYS  22   1.960   2.879  10.277
  191   2HD   LYS  22          2HD       LYS  22   0.379   2.114  10.136
  192   1HE   LYS  22          1HE       LYS  22   1.095   0.663   8.466
  193   2HE   LYS  22          2HE       LYS  22   2.477   1.673   8.046
  194   1HZ   LYS  22          1HZ       LYS  22   2.236   0.272  10.645
  195   2HZ   LYS  22          2HZ       LYS  22   3.003  -0.410   9.302
  196   3HZ   LYS  22          3HZ       LYS  22   3.611   1.011   9.992
  197    H    GLU  23           H        GLU  23   0.240   1.195   4.836
  198    HA   GLU  23           HA       GLU  23   2.587  -0.220   5.502
  199   1HB   GLU  23          1HB       GLU  23   0.549  -1.358   4.791
  200   2HB   GLU  23          2HB       GLU  23   0.669  -0.620   3.200
  201   1HG   GLU  23          1HG       GLU  23   2.875  -1.798   2.943
  202   2HG   GLU  23          2HG       GLU  23   2.484  -2.681   4.417
  203    H    ILE  24           H        ILE  24   1.765   1.902   2.822
  204    HA   ILE  24           HA       ILE  24   4.027   1.255   1.233
  205    HB   ILE  24           HB       ILE  24   3.319   2.803  -0.278
  206   1HG1  ILE  24          1HG1      ILE  24   2.032   4.942   0.463
  207   2HG1  ILE  24          2HG1      ILE  24   2.695   4.592   2.056
  208   1HG2  ILE  24          1HG2      ILE  24   1.339   1.413   0.689
  209   2HG2  ILE  24          2HG2      ILE  24   0.755   2.990   1.220
  210   3HG2  ILE  24          3HG2      ILE  24   1.045   2.688  -0.492
  211   1HD1  ILE  24          1HD1      ILE  24   4.798   4.412   0.156
  212   2HD1  ILE  24          2HD1      ILE  24   3.924   5.922  -0.109
  213   3HD1  ILE  24          3HD1      ILE  24   4.596   5.560   1.482
  214    H    GLU  25           H        GLU  25   3.381   3.740   3.656
  215    HA   GLU  25           HA       GLU  25   5.779   5.171   3.411
  216   1HB   GLU  25          1HB       GLU  25   3.634   5.691   4.790
  217   2HB   GLU  25          2HB       GLU  25   4.421   4.763   6.059
  218   1HG   GLU  25          1HG       GLU  25   5.864   6.403   6.536
  219   2HG   GLU  25          2HG       GLU  25   6.119   6.808   4.838
  220    H    ARG  26           H        ARG  26   4.934   2.323   5.323
  221    HA   ARG  26           HA       ARG  26   7.317   2.107   6.784
  222   1HB   ARG  26          1HB       ARG  26   5.080   0.304   6.070
  223   2HB   ARG  26          2HB       ARG  26   6.587  -0.485   6.517
  224   1HG   ARG  26          1HG       ARG  26   5.019   1.472   8.182
  225   2HG   ARG  26          2HG       ARG  26   5.179  -0.264   8.454
  226   1HD   ARG  26          1HD       ARG  26   6.978   0.126   9.692
  227   2HD   ARG  26          2HD       ARG  26   7.791   0.769   8.266
  228    HE   ARG  26           HE       ARG  26   6.079   2.673   9.567
  229   1HH1  ARG  26          1HH1      ARG  26   9.257   1.251   9.520
  230   2HH1  ARG  26          2HH1      ARG  26  10.018   2.609  10.277
  231   1HH2  ARG  26          1HH2      ARG  26   7.071   4.468  10.567
  232   2HH2  ARG  26          2HH2      ARG  26   8.776   4.439  10.874
  233    H    HIS  27           H        HIS  27   6.413   0.976   3.568
  234    HA   HIS  27           HA       HIS  27   8.742  -0.566   3.099
  235   1HB   HIS  27          1HB       HIS  27   6.405   0.275   1.612
  236   2HB   HIS  27          2HB       HIS  27   7.853   0.404   0.620
  237    HD1  HIS  27           HD1      HIS  27   9.420  -1.965   0.948
  238    HD2  HIS  27           HD2      HIS  27   5.288  -2.158   1.344
  239    HE1  HIS  27           HE1      HIS  27   8.823  -4.381   0.589
  240    HE2  HIS  27           HE2      HIS  27   6.317  -4.476   0.833
  241    H    LYS  28           H        LYS  28   7.997   2.818   2.909
  242    HA   LYS  28           HA       LYS  28  10.228   3.571   1.302
  243   1HB   LYS  28          1HB       LYS  28   8.449   5.167   3.147
  244   2HB   LYS  28          2HB       LYS  28   9.692   5.879   2.127
  245   1HG   LYS  28          1HG       LYS  28   8.550   5.086   0.138
  246   2HG   LYS  28          2HG       LYS  28   7.326   4.299   1.138
  247   1HD   LYS  28          1HD       LYS  28   6.330   6.314   0.489
  248   2HD   LYS  28          2HD       LYS  28   6.910   6.626   2.127
  249   1HE   LYS  28          1HE       LYS  28   8.517   8.074   1.430
  250   2HE   LYS  28          2HE       LYS  28   8.766   7.232  -0.099
  251   1HZ   LYS  28          1HZ       LYS  28   6.289   8.168  -0.425
  252   2HZ   LYS  28          2HZ       LYS  28   6.939   9.387   0.551
  253   3HZ   LYS  28          3HZ       LYS  28   7.677   8.998  -0.922
  254    H    GLN  29           H        GLN  29   9.671   3.092   4.708
  255    HA   GLN  29           HA       GLN  29  12.006   4.433   5.627
  256   1HB   GLN  29          1HB       GLN  29  10.044   3.954   7.066
  257   2HB   GLN  29          2HB       GLN  29  10.422   2.240   6.976
  258   1HG   GLN  29          1HG       GLN  29  11.451   2.679   8.928
  259   2HG   GLN  29          2HG       GLN  29  12.773   3.136   7.856
  260   2HE2  GLN  29          2HE2      GLN  29  13.213   5.327   7.518
  261   1HE2  GLN  29          1HE2      GLN  29  12.636   6.548   8.595
  262    H    SER  30           H        SER  30  11.255   1.085   4.782
  263    HA   SER  30           HA       SER  30  13.748   0.006   5.603
  264   1HB   SER  30          1HB       SER  30  11.365  -1.067   4.796
  265   2HB   SER  30          2HB       SER  30  12.383  -1.374   3.389
  266    HG   SER  30           HG       SER  30  12.301  -2.858   5.443
  267    H    ILE  31           H        ILE  31  12.505   1.126   2.484
  268    HA   ILE  31           HA       ILE  31  14.850   0.478   1.007
  269    HB   ILE  31           HB       ILE  31  12.725   0.719  -0.128
  270   1HG1  ILE  31          1HG1      ILE  31  13.406   2.440  -1.890
  271   2HG1  ILE  31          2HG1      ILE  31  14.833   2.736  -0.898
  272   1HG2  ILE  31          1HG2      ILE  31  11.875   2.539   1.397
  273   2HG2  ILE  31          2HG2      ILE  31  12.840   3.673   0.458
  274   3HG2  ILE  31          3HG2      ILE  31  11.536   2.774  -0.314
  275   1HD1  ILE  31          1HD1      ILE  31  15.221   0.210  -1.079
  276   2HD1  ILE  31          2HD1      ILE  31  14.058   0.276  -2.401
  277   3HD1  ILE  31          3HD1      ILE  31  15.549   1.212  -2.492
  278    H    LYS  32           H        LYS  32  13.911   3.178   2.968
  279    HA   LYS  32           HA       LYS  32  15.863   4.993   1.883
  280   1HB   LYS  32          1HB       LYS  32  13.794   5.066   3.986
  281   2HB   LYS  32          2HB       LYS  32  15.202   6.075   4.286
  282   1HG   LYS  32          1HG       LYS  32  14.808   6.926   1.876
  283   2HG   LYS  32          2HG       LYS  32  13.192   6.246   2.083
  284   1HD   LYS  32          1HD       LYS  32  13.223   8.611   2.675
  285   2HD   LYS  32          2HD       LYS  32  12.877   7.615   4.090
  286   1HE   LYS  32          1HE       LYS  32  15.045   7.915   4.959
  287   2HE   LYS  32          2HE       LYS  32  15.656   8.544   3.429
  288   1HZ   LYS  32          1HZ       LYS  32  13.476  10.058   4.571
  289   2HZ   LYS  32          2HZ       LYS  32  14.889  10.065   5.500
  290   3HZ   LYS  32          3HZ       LYS  32  14.930  10.595   3.893
  291    H    LYS  33           H        LYS  33  15.678   2.730   4.547
  292    HA   LYS  33           HA       LYS  33  18.105   3.644   5.792
  293   1HB   LYS  33          1HB       LYS  33  16.364   2.616   7.149
  294   2HB   LYS  33          2HB       LYS  33  16.470   1.135   6.208
  295   1HG   LYS  33          1HG       LYS  33  18.796   0.849   6.988
  296   2HG   LYS  33          2HG       LYS  33  18.598   2.279   8.003
  297   1HD   LYS  33          1HD       LYS  33  17.585   1.085   9.586
  298   2HD   LYS  33          2HD       LYS  33  16.423   0.443   8.422
  299   1HE   LYS  33          1HE       LYS  33  18.509  -1.046   7.738
  300   2HE   LYS  33          2HE       LYS  33  18.978  -0.714   9.405
  301   1HZ   LYS  33          1HZ       LYS  33  16.232  -1.472   9.190
  302   2HZ   LYS  33          2HZ       LYS  33  17.261  -2.664   8.568
  303   3HZ   LYS  33          3HZ       LYS  33  17.456  -2.125  10.160
  304    H    LEU  34           H        LEU  34  17.195   1.232   3.444
  305    HA   LEU  34           HA       LEU  34  19.721  -0.145   3.521
  306   1HB   LEU  34          1HB       LEU  34  17.145  -0.567   2.364
  307   2HB   LEU  34          2HB       LEU  34  18.344  -0.657   1.088
  308    HG   LEU  34           HG       LEU  34  18.490  -2.263   3.638
  309   1HD1  LEU  34          1HD1      LEU  34  16.505  -2.885   2.366
  310   2HD1  LEU  34          2HD1      LEU  34  17.491  -3.094   0.918
  311   3HD1  LEU  34          3HD1      LEU  34  17.725  -4.157   2.305
  312   1HD2  LEU  34          1HD2      LEU  34  20.523  -1.679   2.014
  313   2HD2  LEU  34          2HD2      LEU  34  20.360  -3.245   2.809
  314   3HD2  LEU  34          3HD2      LEU  34  19.853  -3.053   1.132
  315    H    LYS  35           H        LYS  35  18.281   2.463   1.704
  316    HA   LYS  35           HA       LYS  35  20.324   2.496  -0.323
  317   1HB   LYS  35          1HB       LYS  35  17.880   4.031   0.294
  318   2HB   LYS  35          2HB       LYS  35  19.154   4.943  -0.503
  319   1HG   LYS  35          1HG       LYS  35  19.211   3.001  -2.183
  320   2HG   LYS  35          2HG       LYS  35  17.646   2.559  -1.499
  321   1HD   LYS  35          1HD       LYS  35  17.160   5.133  -1.911
  322   2HD   LYS  35          2HD       LYS  35  18.413   4.919  -3.136
  323   1HE   LYS  35          1HE       LYS  35  16.730   2.713  -3.419
  324   2HE   LYS  35          2HE       LYS  35  15.650   4.082  -3.158
  325   1HZ   LYS  35          1HZ       LYS  35  17.727   4.749  -4.979
  326   2HZ   LYS  35          2HZ       LYS  35  16.885   3.382  -5.512
  327   3HZ   LYS  35          3HZ       LYS  35  16.050   4.818  -5.196
  328    H    GLN  36           H        GLN  36  19.674   4.157   2.701
  329    HA   GLN  36           HA       GLN  36  21.773   6.083   2.379
  330   1HB   GLN  36          1HB       GLN  36  19.848   6.586   3.787
  331   2HB   GLN  36          2HB       GLN  36  20.225   5.223   4.829
  332   1HG   GLN  36          1HG       GLN  36  20.895   7.381   5.791
  333   2HG   GLN  36          2HG       GLN  36  22.253   6.279   5.568
  334   2HE2  GLN  36          2HE2      GLN  36  23.991   7.077   4.628
  335   1HE2  GLN  36          1HE2      GLN  36  24.056   8.502   3.653
  336    H    SER  37           H        SER  37  21.472   2.887   3.746
  337    HA   SER  37           HA       SER  37  23.928   2.938   5.200
  338   1HB   SER  37          1HB       SER  37  21.950   1.371   5.594
  339   2HB   SER  37          2HB       SER  37  22.521   0.463   4.195
  340    HG   SER  37           HG       SER  37  23.478  -0.468   5.938
  341    H    GLU  38           H        GLU  38  23.022   2.293   1.917
  342    HA   GLU  38           HA       GLU  38  25.328   0.824   1.154
  343   1HB   GLU  38          1HB       GLU  38  22.941   1.704  -0.073
  344   2HB   GLU  38          2HB       GLU  38  24.263   2.356  -1.032
  345   1HG   GLU  38          1HG       GLU  38  25.142   0.201  -1.454
  346   2HG   GLU  38          2HG       GLU  38  24.085  -0.538  -0.251
  347    H    ASP  39           H        ASP  39  24.582   4.234   1.392
  348    HA   ASP  39           HA       ASP  39  26.732   5.239  -0.120
  349   1HB   ASP  39          1HB       ASP  39  24.691   6.509   0.725
  350   2HB   ASP  39          2HB       ASP  39  25.515   6.608   2.277
  351    H    ASP  40           H        ASP  40  26.534   3.958   3.095
  352    HA   ASP  40           HA       ASP  40  28.140   3.426   4.618
  353   1HB   ASP  40          1HB       ASP  40  29.459   3.295   2.171
  354   2HB   ASP  40          2HB       ASP  40  30.498   4.316   3.162
  355    H    ASP  41           H        ASP  41  28.931   4.488   6.355
  356    HA   ASP  41           HA       ASP  41  30.330   6.903   6.343
  357   1HB   ASP  41          1HB       ASP  41  27.786   7.455   5.630
  358   2HB   ASP  41          2HB       ASP  41  27.630   7.548   7.381
  359    H1   ALA   1           H1       ALA   1  34.507  -9.666   1.874
  360    H2   ALA   1           H2       ALA   1  34.791  -8.473   3.075
  361    H3   ALA   1           H3       ALA   1  34.003  -9.941   3.489
  362    HA   ALA   1           HA       ALA   1  32.350  -8.372   3.378
  363   1HB   ALA   1          1HB       ALA   1  32.910  -6.472   2.342
  364   2HB   ALA   1          2HB       ALA   1  34.027  -7.289   1.249
  365   3HB   ALA   1          3HB       ALA   1  32.302  -7.249   0.881
  366    H    LEU   2           H        LEU   2  30.348  -8.429   2.022
  367    HA   LEU   2           HA       LEU   2  30.062 -10.167  -0.166
  368   1HB   LEU   2          1HB       LEU   2  30.626 -11.886   1.500
  369   2HB   LEU   2          2HB       LEU   2  29.283 -11.360   2.496
  370    HG   LEU   2           HG       LEU   2  28.347 -11.994  -0.151
  371   1HD1  LEU   2          1HD1      LEU   2  30.467 -13.455   0.073
  372   2HD1  LEU   2          2HD1      LEU   2  29.512 -14.374   1.236
  373   3HD1  LEU   2          3HD1      LEU   2  28.955 -14.211  -0.430
  374   1HD2  LEU   2          1HD2      LEU   2  27.748 -12.603   2.665
  375   2HD2  LEU   2          2HD2      LEU   2  26.669 -12.168   1.340
  376   3HD2  LEU   2          3HD2      LEU   2  27.247 -13.827   1.498
  377    H    LYS   3           H        LYS   3  29.145  -7.611   0.675
  378    HA   LYS   3           HA       LYS   3  26.277  -8.008   1.124
  379   1HB   LYS   3          1HB       LYS   3  28.185  -5.942   1.822
  380   2HB   LYS   3          2HB       LYS   3  26.792  -5.263   0.991
  381   1HG   LYS   3          1HG       LYS   3  26.075  -5.172   3.154
  382   2HG   LYS   3          2HG       LYS   3  25.450  -6.754   2.679
  383   1HD   LYS   3          1HD       LYS   3  28.196  -6.721   3.759
  384   2HD   LYS   3          2HD       LYS   3  26.913  -6.325   4.904
  385   1HE   LYS   3          1HE       LYS   3  26.388  -8.649   3.179
  386   2HE   LYS   3          2HE       LYS   3  27.722  -8.844   4.317
  387   1HZ   LYS   3          1HZ       LYS   3  24.994  -7.956   5.082
  388   2HZ   LYS   3          2HZ       LYS   3  25.545  -9.552   5.206
  389   3HZ   LYS   3          3HZ       LYS   3  26.270  -8.334   6.128
  390    H    LYS   4           H        LYS   4  25.825  -8.795  -0.985
  391    HA   LYS   4           HA       LYS   4  25.786  -6.674  -3.029
  392   1HB   LYS   4          1HB       LYS   4  27.276  -8.936  -3.246
  393   2HB   LYS   4          2HB       LYS   4  25.773  -9.465  -3.991
  394   1HG   LYS   4          1HG       LYS   4  26.003  -7.205  -5.306
  395   2HG   LYS   4          2HG       LYS   4  27.706  -7.390  -4.881
  396   1HD   LYS   4          1HD       LYS   4  27.805  -8.622  -6.761
  397   2HD   LYS   4          2HD       LYS   4  27.107  -9.892  -5.751
  398   1HE   LYS   4          1HE       LYS   4  24.873  -8.569  -6.518
  399   2HE   LYS   4          2HE       LYS   4  25.901  -8.319  -7.928
  400   1HZ   LYS   4          1HZ       LYS   4  26.023 -11.015  -7.039
  401   2HZ   LYS   4          2HZ       LYS   4  24.421 -10.561  -7.341
  402   3HZ   LYS   4          3HZ       LYS   4  25.589 -10.409  -8.557
  403    H    HIS   5           H        HIS   5  24.185  -9.513  -1.684
  404    HA   HIS   5           HA       HIS   5  21.943  -9.570  -3.347
  405   1HB   HIS   5          1HB       HIS   5  20.857 -10.836  -1.551
  406   2HB   HIS   5          2HB       HIS   5  22.512 -11.386  -1.798
  407    HD1  HIS   5           HD1      HIS   5  20.764 -11.633   0.881
  408    HD2  HIS   5           HD2      HIS   5  23.814  -8.912   0.132
  409    HE1  HIS   5           HE1      HIS   5  21.617 -10.938   3.143
  410    HE2  HIS   5           HE2      HIS   5  23.464  -9.293   2.666
  411    H    HIS   6           H        HIS   6  22.777  -7.447  -0.729
  412    HA   HIS   6           HA       HIS   6  20.190  -6.533  -0.083
  413   1HB   HIS   6          1HB       HIS   6  21.238  -4.814   1.147
  414   2HB   HIS   6          2HB       HIS   6  22.347  -6.177   1.235
  415    HD1  HIS   6           HD1      HIS   6  24.696  -5.772   0.473
  416    HD2  HIS   6           HD2      HIS   6  22.099  -2.753  -0.713
  417    HE1  HIS   6           HE1      HIS   6  26.156  -3.970  -0.501
  418    HE2  HIS   6           HE2      HIS   6  24.564  -2.158  -1.222
  419    H    GLU   7           H        GLU   7  22.463  -5.621  -2.592
  420    HA   GLU   7           HA       GLU   7  21.286  -3.208  -3.393
  421   1HB   GLU   7          1HB       GLU   7  23.490  -3.863  -4.174
  422   2HB   GLU   7          2HB       GLU   7  22.814  -5.257  -5.008
  423   1HG   GLU   7          1HG       GLU   7  21.430  -3.517  -6.314
  424   2HG   GLU   7          2HG       GLU   7  22.617  -2.360  -5.713
  425    H    ASN   8           H        ASN   8  20.590  -6.553  -4.264
  426    HA   ASN   8           HA       ASN   8  18.727  -5.965  -6.322
  427   1HB   ASN   8          1HB       ASN   8  18.899  -8.437  -4.578
  428   2HB   ASN   8          2HB       ASN   8  18.039  -8.307  -6.110
  429   2HD2  ASN   8          2HD2      ASN   8  19.448 -10.193  -6.553
  430   1HD2  ASN   8          1HD2      ASN   8  21.016  -9.888  -7.210
  431    H    GLU   9           H        GLU   9  18.260  -6.982  -2.940
  432    HA   GLU   9           HA       GLU   9  15.474  -6.667  -2.891
  433   1HB   GLU   9          1HB       GLU   9  17.134  -7.733  -1.158
  434   2HB   GLU   9          2HB       GLU   9  17.143  -6.118  -0.464
  435   1HG   GLU   9          1HG       GLU   9  15.332  -6.686   0.669
  436   2HG   GLU   9          2HG       GLU   9  14.455  -6.698  -0.861
  437    H    ILE  10           H        ILE  10  17.998  -4.357  -2.980
  438    HA   ILE  10           HA       ILE  10  16.659  -2.216  -1.682
  439    HB   ILE  10           HB       ILE  10  19.235  -2.707  -2.675
  440   1HG1  ILE  10          1HG1      ILE  10  18.868   0.016  -1.756
  441   2HG1  ILE  10          2HG1      ILE  10  17.987  -1.140  -0.761
  442   1HG2  ILE  10          1HG2      ILE  10  18.679  -1.713  -4.827
  443   2HG2  ILE  10          2HG2      ILE  10  18.148  -0.239  -4.018
  444   3HG2  ILE  10          3HG2      ILE  10  19.842  -0.724  -3.946
  445   1HD1  ILE  10          1HD1      ILE  10  20.179  -2.456  -0.693
  446   2HD1  ILE  10          2HD1      ILE  10  20.926  -0.972  -1.284
  447   3HD1  ILE  10          3HD1      ILE  10  20.068  -0.972   0.257
  448    H    SER  11           H        SER  11  17.237  -2.982  -5.119
  449    HA   SER  11           HA       SER  11  15.721  -0.845  -6.152
  450   1HB   SER  11          1HB       SER  11  16.263  -3.529  -7.446
  451   2HB   SER  11          2HB       SER  11  15.798  -2.042  -8.275
  452    HG   SER  11           HG       SER  11  18.229  -2.862  -7.680
  453    H    HIS  12           H        HIS  12  14.832  -3.997  -4.971
  454    HA   HIS  12           HA       HIS  12  12.232  -4.028  -6.139
  455   1HB   HIS  12          1HB       HIS  12  12.612  -6.184  -5.612
  456   2HB   HIS  12          2HB       HIS  12  13.856  -5.761  -4.450
  457    HD1  HIS  12           HD1      HIS  12  10.206  -6.559  -4.710
  458    HD2  HIS  12           HD2      HIS  12  13.038  -5.727  -1.790
  459    HE1  HIS  12           HE1      HIS  12   9.107  -7.147  -2.524
  460    HE2  HIS  12           HE2      HIS  12  10.841  -6.636  -0.768
  461    H    HIS  13           H        HIS  13  13.508  -3.101  -2.949
  462    HA   HIS  13           HA       HIS  13  11.029  -2.579  -1.737
  463   1HB   HIS  13          1HB       HIS  13  13.674  -1.216  -1.224
  464   2HB   HIS  13          2HB       HIS  13  12.276  -1.171  -0.161
  465    HD1  HIS  13           HD1      HIS  13  11.738  -4.349  -0.571
  466    HD2  HIS  13           HD2      HIS  13  15.221  -2.468   0.666
  467    HE1  HIS  13           HE1      HIS  13  13.006  -6.088   0.735
  468    HE2  HIS  13           HE2      HIS  13  15.119  -4.928   1.477
  469    H    ALA  14           H        ALA  14  13.034  -0.692  -3.904
  470    HA   ALA  14           HA       ALA  14  11.771   1.807  -3.506
  471   1HB   ALA  14          1HB       ALA  14  13.315   0.690  -5.842
  472   2HB   ALA  14          2HB       ALA  14  13.897   1.777  -4.580
  473   3HB   ALA  14          3HB       ALA  14  12.728   2.352  -5.769
  474    H    LYS  15           H        LYS  15  11.368  -0.599  -6.108
  475    HA   LYS  15           HA       LYS  15   9.117   0.663  -7.256
  476   1HB   LYS  15          1HB       LYS  15  10.556  -1.873  -7.581
  477   2HB   LYS  15          2HB       LYS  15   8.833  -1.997  -7.907
  478   1HG   LYS  15          1HG       LYS  15   9.426   0.245  -9.284
  479   2HG   LYS  15          2HG       LYS  15  10.952  -0.632  -9.416
  480   1HD   LYS  15          1HD       LYS  15   8.810  -2.459  -9.859
  481   2HD   LYS  15          2HD       LYS  15   8.555  -1.038 -10.873
  482   1HE   LYS  15          1HE       LYS  15  11.316  -2.046 -10.807
  483   2HE   LYS  15          2HE       LYS  15  10.139  -3.140 -11.535
  484   1HZ   LYS  15          1HZ       LYS  15   9.799  -0.454 -12.436
  485   2HZ   LYS  15          2HZ       LYS  15  11.360  -1.019 -12.757
  486   3HZ   LYS  15          3HZ       LYS  15  10.017  -1.869 -13.337
  487    H    GLU  16           H        GLU  16   9.509  -1.131  -4.387
  488    HA   GLU  16           HA       GLU  16   6.810  -2.127  -4.267
  489   1HB   GLU  16          1HB       GLU  16   8.955  -3.132  -3.184
  490   2HB   GLU  16          2HB       GLU  16   8.661  -1.957  -1.911
  491   1HG   GLU  16          1HG       GLU  16   7.746  -4.248  -1.501
  492   2HG   GLU  16          2HG       GLU  16   6.582  -2.932  -1.359
  493    H    ILE  17           H        ILE  17   8.625   0.642  -3.034
  494    HA   ILE  17           HA       ILE  17   6.532   1.476  -1.257
  495    HB   ILE  17           HB       ILE  17   7.848   3.311  -0.704
  496   1HG1  ILE  17          1HG1      ILE  17   9.915   3.808  -2.344
  497   2HG1  ILE  17          2HG1      ILE  17   8.778   3.183  -3.533
  498   1HG2  ILE  17          1HG2      ILE  17   9.029   0.821  -0.865
  499   2HG2  ILE  17          2HG2      ILE  17  10.252   1.919  -1.502
  500   3HG2  ILE  17          3HG2      ILE  17   9.579   2.188   0.104
  501   1HD1  ILE  17          1HD1      ILE  17   7.288   4.979  -2.047
  502   2HD1  ILE  17          2HD1      ILE  17   8.862   5.753  -2.229
  503   3HD1  ILE  17          3HD1      ILE  17   7.962   5.237  -3.656
  504    H    GLU  18           H        GLU  18   7.467   2.200  -4.566
  505    HA   GLU  18           HA       GLU  18   5.560   4.325  -4.881
  506   1HB   GLU  18          1HB       GLU  18   7.575   2.974  -6.547
  507   2HB   GLU  18          2HB       GLU  18   6.151   3.512  -7.428
  508   1HG   GLU  18          1HG       GLU  18   6.571   5.756  -6.169
  509   2HG   GLU  18          2HG       GLU  18   8.203   5.116  -5.983
  510    H    ARG  19           H        ARG  19   5.713   0.892  -5.693
  511    HA   ARG  19           HA       ARG  19   3.212   0.839  -7.061
  512   1HB   ARG  19          1HB       ARG  19   4.941  -1.330  -5.871
  513   2HB   ARG  19          2HB       ARG  19   3.428  -1.668  -6.700
  514   1HG   ARG  19          1HG       ARG  19   5.313   0.028  -8.184
  515   2HG   ARG  19          2HG       ARG  19   5.847  -1.629  -7.895
  516   1HD   ARG  19          1HD       ARG  19   4.699  -1.955  -9.834
  517   2HD   ARG  19          2HD       ARG  19   3.374  -2.164  -8.689
  518    HE   ARG  19           HE       ARG  19   3.640   0.552  -9.499
  519   1HH1  ARG  19          1HH1      ARG  19   2.441  -2.556 -10.517
  520   2HH1  ARG  19          2HH1      ARG  19   1.237  -1.891 -11.570
  521   1HH2  ARG  19          1HH2      ARG  19   2.057   1.438 -10.881
  522   2HH2  ARG  19          2HH2      ARG  19   1.018   0.380 -11.776
  523    H    LEU  20           H        LEU  20   4.195   0.651  -3.745
  524    HA   LEU  20           HA       LEU  20   1.821  -0.562  -2.739
  525   1HB   LEU  20          1HB       LEU  20   4.234   0.700  -1.621
  526   2HB   LEU  20          2HB       LEU  20   2.800   0.876  -0.637
  527    HG   LEU  20           HG       LEU  20   4.332  -1.117  -0.161
  528   1HD1  LEU  20          1HD1      LEU  20   1.978  -0.777   0.654
  529   2HD1  LEU  20          2HD1      LEU  20   1.448  -1.783  -0.695
  530   3HD1  LEU  20          3HD1      LEU  20   2.508  -2.456   0.543
  531   1HD2  LEU  20          1HD2      LEU  20   3.868  -1.602  -2.877
  532   2HD2  LEU  20          2HD2      LEU  20   4.689  -2.653  -1.724
  533   3HD2  LEU  20          3HD2      LEU  20   2.959  -2.839  -2.008
  534    H    GLN  21           H        GLN  21   2.952   2.778  -3.097
  535    HA   GLN  21           HA       GLN  21   0.777   4.045  -1.855
  536   1HB   GLN  21          1HB       GLN  21   2.995   5.071  -2.582
  537   2HB   GLN  21          2HB       GLN  21   2.308   5.168  -4.198
  538   1HG   GLN  21          1HG       GLN  21   0.368   6.421  -3.008
  539   2HG   GLN  21          2HG       GLN  21   1.557   6.662  -1.729
  540   2HE2  GLN  21          2HE2      GLN  21   3.469   7.830  -2.214
  541   1HE2  GLN  21          1HE2      GLN  21   3.509   8.957  -3.522
  542    H    LYS  22           H        LYS  22   1.336   3.220  -5.265
  543    HA   LYS  22           HA       LYS  22  -1.089   4.260  -6.254
  544   1HB   LYS  22          1HB       LYS  22   1.106   3.349  -7.441
  545   2HB   LYS  22          2HB       LYS  22   0.159   1.872  -7.535
  546   1HG   LYS  22          1HG       LYS  22  -0.830   4.527  -8.541
  547   2HG   LYS  22          2HG       LYS  22   0.056   3.381  -9.543
  548   1HD   LYS  22          1HD       LYS  22  -2.652   3.054  -8.277
  549   2HD   LYS  22          2HD       LYS  22  -2.229   2.995  -9.986
  550   1HE   LYS  22          1HE       LYS  22  -0.714   0.978  -9.110
  551   2HE   LYS  22          2HE       LYS  22  -1.985   0.919  -7.890
  552   1HZ   LYS  22          1HZ       LYS  22  -3.467   1.094 -10.062
  553   2HZ   LYS  22          2HZ       LYS  22  -2.119   0.329 -10.740
  554   3HZ   LYS  22          3HZ       LYS  22  -2.937  -0.391  -9.445
  555    H    GLU  23           H        GLU  23  -0.246   1.215  -4.767
  556    HA   GLU  23           HA       GLU  23  -2.591  -0.204  -5.511
  557   1HB   GLU  23          1HB       GLU  23  -0.574  -1.374  -4.809
  558   2HB   GLU  23          2HB       GLU  23  -0.672  -0.637  -3.216
  559   1HG   GLU  23          1HG       GLU  23  -2.896  -1.784  -2.948
  560   2HG   GLU  23          2HG       GLU  23  -2.519  -2.674  -4.423
  561    H    ILE  24           H        ILE  24  -1.768   1.902  -2.823
  562    HA   ILE  24           HA       ILE  24  -4.027   1.253  -1.233
  563    HB   ILE  24           HB       ILE  24  -3.317   2.799   0.278
  564   1HG1  ILE  24          1HG1      ILE  24  -2.028   4.937  -0.461
  565   2HG1  ILE  24          2HG1      ILE  24  -2.694   4.591  -2.053
  566   1HG2  ILE  24          1HG2      ILE  24  -1.340   1.406  -0.686
  567   2HG2  ILE  24          2HG2      ILE  24  -0.754   2.980  -1.226
  568   3HG2  ILE  24          3HG2      ILE  24  -1.041   2.687   0.489
  569   1HD1  ILE  24          1HD1      ILE  24  -4.793   4.410  -0.150
  570   2HD1  ILE  24          2HD1      ILE  24  -3.917   5.919   0.116
  571   3HD1  ILE  24          3HD1      ILE  24  -4.591   5.560  -1.473
  572    H    GLU  25           H        GLU  25  -3.384   3.742  -3.655
  573    HA   GLU  25           HA       GLU  25  -5.781   5.173  -3.404
  574   1HB   GLU  25          1HB       GLU  25  -3.636   5.694  -4.787
  575   2HB   GLU  25          2HB       GLU  25  -4.429   4.770  -6.056
  576   1HG   GLU  25          1HG       GLU  25  -5.868   6.414  -6.525
  577   2HG   GLU  25          2HG       GLU  25  -6.121   6.813  -4.826
  578    H    ARG  26           H        ARG  26  -4.933   2.330  -5.324
  579    HA   ARG  26           HA       ARG  26  -7.317   2.112  -6.783
  580   1HB   ARG  26          1HB       ARG  26  -5.079   0.310  -6.071
  581   2HB   ARG  26          2HB       ARG  26  -6.585  -0.480  -6.517
  582   1HG   ARG  26          1HG       ARG  26  -5.018   1.479  -8.182
  583   2HG   ARG  26          2HG       ARG  26  -5.181  -0.257  -8.455
  584   1HD   ARG  26          1HD       ARG  26  -6.982   0.139  -9.691
  585   2HD   ARG  26          2HD       ARG  26  -7.792   0.778  -8.263
  586    HE   ARG  26           HE       ARG  26  -6.081   2.686  -9.561
  587   1HH1  ARG  26          1HH1      ARG  26  -9.259   1.262  -9.516
  588   2HH1  ARG  26          2HH1      ARG  26 -10.021   2.623 -10.272
  589   1HH2  ARG  26          1HH2      ARG  26  -7.074   4.482 -10.555
  590   2HH2  ARG  26          2HH2      ARG  26  -8.777   4.454 -10.863
  591    H    HIS  27           H        HIS  27  -6.414   0.986  -3.565
  592    HA   HIS  27           HA       HIS  27  -8.742  -0.560  -3.099
  593   1HB   HIS  27          1HB       HIS  27  -6.403   0.279  -1.610
  594   2HB   HIS  27          2HB       HIS  27  -7.852   0.406  -0.618
  595    HD1  HIS  27           HD1      HIS  27  -9.417  -1.960  -0.935
  596    HD2  HIS  27           HD2      HIS  27  -5.288  -2.156  -1.359
  597    HE1  HIS  27           HE1      HIS  27  -8.819  -4.377  -0.582
  598    HE2  HIS  27           HE2      HIS  27  -6.314  -4.474  -0.842
  599    H    LYS  28           H        LYS  28  -7.999   2.823  -2.905
  600    HA   LYS  28           HA       LYS  28 -10.231   3.572  -1.295
  601   1HB   LYS  28          1HB       LYS  28  -8.450   5.174  -3.134
  602   2HB   LYS  28          2HB       LYS  28  -9.693   5.882  -2.113
  603   1HG   LYS  28          1HG       LYS  28  -8.553   5.084  -0.127
  604   2HG   LYS  28          2HG       LYS  28  -7.330   4.297  -1.126
  605   1HD   LYS  28          1HD       LYS  28  -6.332   6.308  -0.472
  606   2HD   LYS  28          2HD       LYS  28  -6.907   6.623  -2.109
  607   1HE   LYS  28          1HE       LYS  28  -8.515   8.073  -1.413
  608   2HE   LYS  28          2HE       LYS  28  -8.766   7.231   0.115
  609   1HZ   LYS  28          1HZ       LYS  28  -6.288   8.164   0.440
  610   2HZ   LYS  28          2HZ       LYS  28  -6.938   9.385  -0.534
  611   3HZ   LYS  28          3HZ       LYS  28  -7.674   8.994   0.939
  612    H    GLN  29           H        GLN  29  -9.674   3.093  -4.701
  613    HA   GLN  29           HA       GLN  29 -12.008   4.440  -5.618
  614   1HB   GLN  29          1HB       GLN  29 -10.046   3.964  -7.058
  615   2HB   GLN  29          2HB       GLN  29 -10.422   2.249  -6.972
  616   1HG   GLN  29          1HG       GLN  29 -11.452   2.691  -8.922
  617   2HG   GLN  29          2HG       GLN  29 -12.776   3.146  -7.849
  618   2HE2  GLN  29          2HE2      GLN  29 -13.214   5.337  -7.506
  619   1HE2  GLN  29          1HE2      GLN  29 -12.637   6.560  -8.582
  620    H    SER  30           H        SER  30 -11.256   1.091  -4.778
  621    HA   SER  30           HA       SER  30 -13.751   0.014  -5.602
  622   1HB   SER  30          1HB       SER  30 -11.368  -1.062  -4.796
  623   2HB   SER  30          2HB       SER  30 -12.387  -1.372  -3.390
  624    HG   SER  30           HG       SER  30 -12.306  -2.853  -5.444
  625    H    ILE  31           H        ILE  31 -12.507   1.127  -2.480
  626    HA   ILE  31           HA       ILE  31 -14.852   0.478  -1.005
  627    HB   ILE  31           HB       ILE  31 -12.727   0.718   0.132
  628   1HG1  ILE  31          1HG1      ILE  31 -13.409   2.437   1.896
  629   2HG1  ILE  31          2HG1      ILE  31 -14.835   2.734   0.903
  630   1HG2  ILE  31          1HG2      ILE  31 -11.876   2.539  -1.391
  631   2HG2  ILE  31          2HG2      ILE  31 -12.842   3.672  -0.451
  632   3HG2  ILE  31          3HG2      ILE  31 -11.539   2.774   0.322
  633   1HD1  ILE  31          1HD1      ILE  31 -15.224   0.207   1.081
  634   2HD1  ILE  31          2HD1      ILE  31 -14.061   0.274   2.404
  635   3HD1  ILE  31          3HD1      ILE  31 -15.552   1.210   2.494
  636    H    LYS  32           H        LYS  32 -13.913   3.181  -2.962
  637    HA   LYS  32           HA       LYS  32 -15.866   4.995  -1.873
  638   1HB   LYS  32          1HB       LYS  32 -13.798   5.071  -3.978
  639   2HB   LYS  32          2HB       LYS  32 -15.206   6.082  -4.273
  640   1HG   LYS  32          1HG       LYS  32 -14.809   6.928  -1.863
  641   2HG   LYS  32          2HG       LYS  32 -13.194   6.246  -2.071
  642   1HD   LYS  32          1HD       LYS  32 -13.221   8.612  -2.660
  643   2HD   LYS  32          2HD       LYS  32 -12.879   7.617  -4.076
  644   1HE   LYS  32          1HE       LYS  32 -15.045   7.923  -4.945
  645   2HE   LYS  32          2HE       LYS  32 -15.657   8.546  -3.413
  646   1HZ   LYS  32          1HZ       LYS  32 -13.477  10.065  -4.549
  647   2HZ   LYS  32          2HZ       LYS  32 -14.890  10.074  -5.478
  648   3HZ   LYS  32          3HZ       LYS  32 -14.931  10.599  -3.870
  649    H    LYS  33           H        LYS  33 -15.681   2.735  -4.541
  650    HA   LYS  33           HA       LYS  33 -18.108   3.653  -5.784
  651   1HB   LYS  33          1HB       LYS  33 -16.368   2.628  -7.143
  652   2HB   LYS  33          2HB       LYS  33 -16.471   1.145  -6.204
  653   1HG   LYS  33          1HG       LYS  33 -18.798   0.858  -6.984
  654   2HG   LYS  33          2HG       LYS  33 -18.602   2.289  -7.999
  655   1HD   LYS  33          1HD       LYS  33 -17.585   1.097  -9.581
  656   2HD   LYS  33          2HD       LYS  33 -16.425   0.454  -8.418
  657   1HE   LYS  33          1HE       LYS  33 -18.510  -1.036  -7.736
  658   2HE   LYS  33          2HE       LYS  33 -18.980  -0.702  -9.402
  659   1HZ   LYS  33          1HZ       LYS  33 -16.234  -1.461  -9.189
  660   2HZ   LYS  33          2HZ       LYS  33 -17.263  -2.653  -8.568
  661   3HZ   LYS  33          3HZ       LYS  33 -17.458  -2.112 -10.159
  662    H    LEU  34           H        LEU  34 -17.198   1.236  -3.441
  663    HA   LEU  34           HA       LEU  34 -19.723  -0.142  -3.521
  664   1HB   LEU  34          1HB       LEU  34 -17.148  -0.564  -2.365
  665   2HB   LEU  34          2HB       LEU  34 -18.344  -0.656  -1.088
  666    HG   LEU  34           HG       LEU  34 -18.493  -2.259  -3.639
  667   1HD1  LEU  34          1HD1      LEU  34 -16.507  -2.882  -2.368
  668   2HD1  LEU  34          2HD1      LEU  34 -17.492  -3.092  -0.920
  669   3HD1  LEU  34          3HD1      LEU  34 -17.727  -4.155  -2.309
  670   1HD2  LEU  34          1HD2      LEU  34 -20.524  -1.677  -2.012
  671   2HD2  LEU  34          2HD2      LEU  34 -20.363  -3.241  -2.810
  672   3HD2  LEU  34          3HD2      LEU  34 -19.854  -3.052  -1.132
  673    H    LYS  35           H        LYS  35 -18.283   2.462  -1.698
  674    HA   LYS  35           HA       LYS  35 -20.325   2.493   0.329
  675   1HB   LYS  35          1HB       LYS  35 -17.880   4.028  -0.286
  676   2HB   LYS  35          2HB       LYS  35 -19.154   4.940   0.511
  677   1HG   LYS  35          1HG       LYS  35 -19.213   2.996   2.190
  678   2HG   LYS  35          2HG       LYS  35 -17.647   2.555   1.506
  679   1HD   LYS  35          1HD       LYS  35 -17.162   5.129   1.921
  680   2HD   LYS  35          2HD       LYS  35 -18.415   4.914   3.144
  681   1HE   LYS  35          1HE       LYS  35 -16.733   2.707   3.427
  682   2HE   LYS  35          2HE       LYS  35 -15.652   4.076   3.168
  683   1HZ   LYS  35          1HZ       LYS  35 -17.730   4.741   4.988
  684   2HZ   LYS  35          2HZ       LYS  35 -16.889   3.375   5.521
  685   3HZ   LYS  35          3HZ       LYS  35 -16.053   4.811   5.207
  686    H    GLN  36           H        GLN  36 -19.676   4.158  -2.691
  687    HA   GLN  36           HA       GLN  36 -21.775   6.084  -2.367
  688   1HB   GLN  36          1HB       GLN  36 -19.849   6.590  -3.773
  689   2HB   GLN  36          2HB       GLN  36 -20.226   5.228  -4.819
  690   1HG   GLN  36          1HG       GLN  36 -20.894   7.388  -5.776
  691   2HG   GLN  36          2HG       GLN  36 -22.253   6.287  -5.555
  692   2HE2  GLN  36          2HE2      GLN  36 -23.990   7.087  -4.619
  693   1HE2  GLN  36          1HE2      GLN  36 -24.056   8.509  -3.640
  694    H    SER  37           H        SER  37 -21.474   2.890  -3.735
  695    HA   SER  37           HA       SER  37 -23.930   2.942  -5.191
  696   1HB   SER  37          1HB       SER  37 -21.952   1.375  -5.588
  697   2HB   SER  37          2HB       SER  37 -22.522   0.466  -4.189
  698    HG   SER  37           HG       SER  37 -23.477  -0.463  -5.934
  699    H    GLU  38           H        GLU  38 -23.024   2.296  -1.909
  700    HA   GLU  38           HA       GLU  38 -25.330   0.824  -1.148
  701   1HB   GLU  38          1HB       GLU  38 -22.942   1.703   0.082
  702   2HB   GLU  38          2HB       GLU  38 -24.264   2.352   1.041
  703   1HG   GLU  38          1HG       GLU  38 -25.143   0.196   1.458
  704   2HG   GLU  38          2HG       GLU  38 -24.083  -0.540   0.254
  705    H    ASP  39           H        ASP  39 -24.583   4.234  -1.382
  706    HA   ASP  39           HA       ASP  39 -26.734   5.236   0.132
  707   1HB   ASP  39          1HB       ASP  39 -24.694   6.508  -0.708
  708   2HB   ASP  39          2HB       ASP  39 -25.515   6.609  -2.263
  709    H    ASP  40           H        ASP  40 -26.536   3.961  -3.085
  710    HA   ASP  40           HA       ASP  40 -28.143   3.431  -4.610
  711   1HB   ASP  40          1HB       ASP  40 -29.462   3.298  -2.162
  712   2HB   ASP  40          2HB       ASP  40 -30.501   4.320  -3.152
  713    H    ASP  41           H        ASP  41 -28.934   4.495  -6.344
  714    HA   ASP  41           HA       ASP  41 -30.331   6.911  -6.329
  715   1HB   ASP  41          1HB       ASP  41 -27.788   7.462  -5.615
  716   2HB   ASP  41          2HB       ASP  41 -27.631   7.557  -7.366

  No H/Q in entry =         716
  Start of MODEL   25
    1    H1   ALA   1           H1       ALA   1 -32.487   6.766   4.165
    2    H2   ALA   1           H2       ALA   1 -32.053   8.078   3.146
    3    H3   ALA   1           H3       ALA   1 -33.221   6.933   2.625
    4    HA   ALA   1           HA       ALA   1 -31.729   5.382   2.136
    5   1HB   ALA   1          1HB       ALA   1 -29.972   6.359   0.890
    6   2HB   ALA   1          2HB       ALA   1 -31.306   7.510   0.848
    7   3HB   ALA   1          3HB       ALA   1 -29.937   7.789   1.923
    8    H    LEU   2           H        LEU   2 -31.012   3.951   3.594
    9    HA   LEU   2           HA       LEU   2 -28.695   4.731   5.234
   10   1HB   LEU   2          1HB       LEU   2 -30.637   4.560   6.675
   11   2HB   LEU   2          2HB       LEU   2 -31.013   2.972   6.033
   12    HG   LEU   2           HG       LEU   2 -28.429   2.679   6.984
   13   1HD1  LEU   2          1HD1      LEU   2 -29.787   4.824   8.432
   14   2HD1  LEU   2          2HD1      LEU   2 -29.205   3.518   9.463
   15   3HD1  LEU   2          3HD1      LEU   2 -28.082   4.373   8.404
   16   1HD2  LEU   2          1HD2      LEU   2 -30.491   1.193   7.136
   17   2HD2  LEU   2          2HD2      LEU   2 -29.385   1.173   8.508
   18   3HD2  LEU   2          3HD2      LEU   2 -30.889   2.090   8.601
   19    H    LYS   3           H        LYS   3 -30.395   1.650   4.747
   20    HA   LYS   3           HA       LYS   3 -29.679  -0.389   4.036
   21   1HB   LYS   3          1HB       LYS   3 -27.911   1.403   2.379
   22   2HB   LYS   3          2HB       LYS   3 -27.868  -0.349   2.232
   23   1HG   LYS   3          1HG       LYS   3 -29.290   0.400   0.523
   24   2HG   LYS   3          2HG       LYS   3 -30.356  -0.236   1.779
   25   1HD   LYS   3          1HD       LYS   3 -31.188   1.886   0.882
   26   2HD   LYS   3          2HD       LYS   3 -30.767   2.026   2.590
   27   1HE   LYS   3          1HE       LYS   3 -29.262   3.610   2.166
   28   2HE   LYS   3          2HE       LYS   3 -28.502   2.634   0.909
   29   1HZ   LYS   3          1HZ       LYS   3 -30.377   3.379  -0.568
   30   2HZ   LYS   3          2HZ       LYS   3 -30.782   4.506   0.628
   31   3HZ   LYS   3          3HZ       LYS   3 -29.272   4.582  -0.130
   32    H    LYS   4           H        LYS   4 -28.109  -1.992   4.437
   33    HA   LYS   4           HA       LYS   4 -25.772  -1.088   5.984
   34   1HB   LYS   4          1HB       LYS   4 -26.161  -3.296   7.297
   35   2HB   LYS   4          2HB       LYS   4 -27.129  -1.882   7.690
   36   1HG   LYS   4          1HG       LYS   4 -28.830  -2.873   6.016
   37   2HG   LYS   4          2HG       LYS   4 -27.928  -4.372   6.249
   38   1HD   LYS   4          1HD       LYS   4 -29.302  -4.692   7.993
   39   2HD   LYS   4          2HD       LYS   4 -28.274  -3.519   8.819
   40   1HE   LYS   4          1HE       LYS   4 -29.860  -1.766   7.740
   41   2HE   LYS   4          2HE       LYS   4 -30.960  -3.132   7.558
   42   1HZ   LYS   4          1HZ       LYS   4 -29.729  -2.379  10.148
   43   2HZ   LYS   4          2HZ       LYS   4 -31.238  -1.806   9.639
   44   3HZ   LYS   4          3HZ       LYS   4 -31.002  -3.462   9.885
   45    H    HIS   5           H        HIS   5 -26.268  -2.103   3.149
   46    HA   HIS   5           HA       HIS   5 -24.653  -4.541   3.170
   47   1HB   HIS   5          1HB       HIS   5 -25.737  -3.199   0.705
   48   2HB   HIS   5          2HB       HIS   5 -25.342  -4.897   0.950
   49    HD1  HIS   5           HD1      HIS   5 -26.997  -5.148   3.662
   50    HD2  HIS   5           HD2      HIS   5 -28.390  -3.639   0.049
   51    HE1  HIS   5           HE1      HIS   5 -29.497  -5.417   3.740
   52    HE2  HIS   5           HE2      HIS   5 -30.320  -4.497   1.543
   53    H    HIS   6           H        HIS   6 -24.611  -1.215   1.992
   54    HA   HIS   6           HA       HIS   6 -22.168  -1.357   0.605
   55   1HB   HIS   6          1HB       HIS   6 -23.705   0.921   1.838
   56   2HB   HIS   6          2HB       HIS   6 -22.147   1.185   1.062
   57    HD1  HIS   6           HD1      HIS   6 -23.672  -1.390  -0.831
   58    HD2  HIS   6           HD2      HIS   6 -24.204   2.724  -0.578
   59    HE1  HIS   6           HE1      HIS   6 -24.841  -0.731  -2.958
   60    HE2  HIS   6           HE2      HIS   6 -25.154   1.763  -2.783
   61    H    GLU   7           H        GLU   7 -22.933  -0.550   3.965
   62    HA   GLU   7           HA       GLU   7 -20.347   0.193   4.759
   63   1HB   GLU   7          1HB       GLU   7 -21.199  -0.557   7.072
   64   2HB   GLU   7          2HB       GLU   7 -22.049   0.754   6.266
   65   1HG   GLU   7          1HG       GLU   7 -23.916  -0.500   5.884
   66   2HG   GLU   7          2HG       GLU   7 -23.022  -2.020   5.850
   67    H    ASN   8           H        ASN   8 -21.782  -2.890   4.120
   68    HA   ASN   8           HA       ASN   8 -19.958  -4.486   5.612
   69   1HB   ASN   8          1HB       ASN   8 -22.202  -4.915   3.838
   70   2HB   ASN   8          2HB       ASN   8 -20.886  -6.019   3.449
   71   2HD2  ASN   8          2HD2      ASN   8 -23.624  -5.940   5.034
   72   1HD2  ASN   8          1HD2      ASN   8 -23.274  -6.962   6.382
   73    H    GLU   9           H        GLU   9 -20.261  -3.987   2.082
   74    HA   GLU   9           HA       GLU   9 -17.679  -5.074   1.544
   75   1HB   GLU   9          1HB       GLU   9 -19.661  -3.499  -0.082
   76   2HB   GLU   9          2HB       GLU   9 -18.075  -3.904  -0.725
   77   1HG   GLU   9          1HG       GLU   9 -19.696  -5.512  -1.475
   78   2HG   GLU   9          2HG       GLU   9 -18.559  -6.286  -0.371
   79    H    ILE  10           H        ILE  10 -18.653  -2.130   2.836
   80    HA   ILE  10           HA       ILE  10 -16.442  -0.580   1.776
   81    HB   ILE  10           HB       ILE  10 -18.827   0.040   3.500
   82   1HG1  ILE  10          1HG1      ILE  10 -17.788   1.409   1.021
   83   2HG1  ILE  10          2HG1      ILE  10 -18.908   0.050   0.982
   84   1HG2  ILE  10          1HG2      ILE  10 -16.272   1.415   3.629
   85   2HG2  ILE  10          2HG2      ILE  10 -17.600   2.480   3.166
   86   3HG2  ILE  10          3HG2      ILE  10 -17.694   1.556   4.665
   87   1HD1  ILE  10          1HD1      ILE  10 -20.520   1.374   2.276
   88   2HD1  ILE  10          2HD1      ILE  10 -19.403   2.738   2.239
   89   3HD1  ILE  10          3HD1      ILE  10 -20.101   2.128   0.738
   90    H    SER  11           H        SER  11 -17.338  -2.401   4.589
   91    HA   SER  11           HA       SER  11 -15.253  -1.296   6.251
   92   1HB   SER  11          1HB       SER  11 -17.461  -3.220   6.582
   93   2HB   SER  11          2HB       SER  11 -16.008  -3.617   7.498
   94    HG   SER  11           HG       SER  11 -16.512  -2.083   8.825
   95    H    HIS  12           H        HIS  12 -15.711  -3.963   4.072
   96    HA   HIS  12           HA       HIS  12 -13.333  -5.345   4.911
   97   1HB   HIS  12          1HB       HIS  12 -14.623  -6.971   4.027
   98   2HB   HIS  12          2HB       HIS  12 -15.581  -5.828   3.101
   99    HD1  HIS  12           HD1      HIS  12 -12.534  -8.015   2.842
  100    HD2  HIS  12           HD2      HIS  12 -14.905  -5.597   0.440
  101    HE1  HIS  12           HE1      HIS  12 -11.822  -8.514   0.481
  102    HE2  HIS  12           HE2      HIS  12 -13.273  -7.041  -0.960
  103    H    HIS  13           H        HIS  13 -14.287  -3.368   2.076
  104    HA   HIS  13           HA       HIS  13 -11.690  -3.454   0.907
  105   1HB   HIS  13          1HB       HIS  13 -13.864  -1.388   0.513
  106   2HB   HIS  13          2HB       HIS  13 -12.441  -1.590  -0.498
  107    HD1  HIS  13           HD1      HIS  13 -12.663  -4.756  -0.668
  108    HD2  HIS  13           HD2      HIS  13 -15.672  -2.001  -1.434
  109    HE1  HIS  13           HE1      HIS  13 -14.267  -5.930  -2.213
  110    HE2  HIS  13           HE2      HIS  13 -16.089  -4.246  -2.659
  111    H    ALA  14           H        ALA  14 -13.192  -1.537   3.383
  112    HA   ALA  14           HA       ALA  14 -11.391   0.654   3.338
  113   1HB   ALA  14          1HB       ALA  14 -12.205   0.827   5.816
  114   2HB   ALA  14          2HB       ALA  14 -13.328   1.142   4.492
  115   3HB   ALA  14          3HB       ALA  14 -13.354  -0.416   5.319
  116    H    LYS  15           H        LYS  15 -11.513  -2.348   5.225
  117    HA   LYS  15           HA       LYS  15  -9.122  -1.800   6.675
  118   1HB   LYS  15          1HB       LYS  15 -10.913  -3.367   7.439
  119   2HB   LYS  15          2HB       LYS  15 -10.426  -4.479   6.167
  120   1HG   LYS  15          1HG       LYS  15  -8.724  -5.263   7.365
  121   2HG   LYS  15          2HG       LYS  15  -8.193  -3.643   7.821
  122   1HD   LYS  15          1HD       LYS  15  -9.967  -3.583   9.541
  123   2HD   LYS  15          2HD       LYS  15 -10.401  -5.240   9.115
  124   1HE   LYS  15          1HE       LYS  15  -8.848  -4.870  11.128
  125   2HE   LYS  15          2HE       LYS  15  -8.410  -6.108   9.952
  126   1HZ   LYS  15          1HZ       LYS  15  -7.362  -3.377   9.643
  127   2HZ   LYS  15          2HZ       LYS  15  -6.644  -4.421  10.765
  128   3HZ   LYS  15          3HZ       LYS  15  -6.696  -4.844   9.129
  129    H    GLU  16           H        GLU  16  -9.786  -2.981   3.515
  130    HA   GLU  16           HA       GLU  16  -7.301  -4.392   3.196
  131   1HB   GLU  16          1HB       GLU  16  -9.740  -4.066   1.708
  132   2HB   GLU  16          2HB       GLU  16  -8.359  -3.770   0.661
  133   1HG   GLU  16          1HG       GLU  16  -7.828  -5.925   0.582
  134   2HG   GLU  16          2HG       GLU  16  -7.999  -6.116   2.327
  135    H    ILE  17           H        ILE  17  -8.528  -1.168   2.429
  136    HA   ILE  17           HA       ILE  17  -6.175  -0.457   0.908
  137    HB   ILE  17           HB       ILE  17  -8.250   0.601   0.317
  138   1HG1  ILE  17          1HG1      ILE  17  -5.979   1.900   0.392
  139   2HG1  ILE  17          2HG1      ILE  17  -7.465   2.757   0.016
  140   1HG2  ILE  17          1HG2      ILE  17  -8.413   1.179   3.218
  141   2HG2  ILE  17          2HG2      ILE  17  -9.113   2.354   2.104
  142   3HG2  ILE  17          3HG2      ILE  17  -9.668   0.681   2.083
  143   1HD1  ILE  17          1HD1      ILE  17  -7.541   3.362   2.493
  144   2HD1  ILE  17          2HD1      ILE  17  -5.870   2.807   2.552
  145   3HD1  ILE  17          3HD1      ILE  17  -6.317   4.143   1.496
  146    H    GLU  18           H        GLU  18  -7.323  -0.096   4.198
  147    HA   GLU  18           HA       GLU  18  -5.197   1.691   4.961
  148   1HB   GLU  18          1HB       GLU  18  -7.604   0.587   6.190
  149   2HB   GLU  18          2HB       GLU  18  -6.241   0.633   7.298
  150   1HG   GLU  18          1HG       GLU  18  -6.729   3.073   5.714
  151   2HG   GLU  18          2HG       GLU  18  -7.925   2.675   6.946
  152    H    ARG  19           H        ARG  19  -5.818  -1.743   4.989
  153    HA   ARG  19           HA       ARG  19  -3.633  -2.387   6.736
  154   1HB   ARG  19          1HB       ARG  19  -5.500  -3.908   6.639
  155   2HB   ARG  19          2HB       ARG  19  -5.330  -4.083   4.898
  156   1HG   ARG  19          1HG       ARG  19  -2.890  -4.784   6.282
  157   2HG   ARG  19          2HG       ARG  19  -4.265  -5.734   6.849
  158   1HD   ARG  19          1HD       ARG  19  -4.670  -5.818   4.179
  159   2HD   ARG  19          2HD       ARG  19  -2.910  -5.727   4.234
  160    HE   ARG  19           HE       ARG  19  -2.922  -7.912   4.856
  161   1HH1  ARG  19          1HH1      ARG  19  -5.923  -6.476   5.882
  162   2HH1  ARG  19          2HH1      ARG  19  -6.555  -7.949   6.537
  163   1HH2  ARG  19          1HH2      ARG  19  -3.743  -9.859   5.716
  164   2HH2  ARG  19          2HH2      ARG  19  -5.316  -9.873   6.443
  165    H    LEU  20           H        LEU  20  -4.157  -2.283   3.239
  166    HA   LEU  20           HA       LEU  20  -1.615  -3.415   2.600
  167   1HB   LEU  20          1HB       LEU  20  -3.499  -1.725   0.948
  168   2HB   LEU  20          2HB       LEU  20  -2.074  -2.531   0.322
  169    HG   LEU  20           HG       LEU  20  -4.212  -4.123   1.686
  170   1HD1  LEU  20          1HD1      LEU  20  -4.896  -2.516  -0.372
  171   2HD1  LEU  20          2HD1      LEU  20  -4.343  -3.944  -1.246
  172   3HD1  LEU  20          3HD1      LEU  20  -5.635  -4.086  -0.056
  173   1HD2  LEU  20          1HD2      LEU  20  -1.848  -4.932   0.938
  174   2HD2  LEU  20          2HD2      LEU  20  -3.264  -5.936   0.627
  175   3HD2  LEU  20          3HD2      LEU  20  -2.577  -4.956  -0.668
  176    H    GLN  21           H        GLN  21  -2.865  -0.202   3.174
  177    HA   GLN  21           HA       GLN  21  -0.683   1.279   2.186
  178   1HB   GLN  21          1HB       GLN  21  -2.995   1.793   3.961
  179   2HB   GLN  21          2HB       GLN  21  -1.627   2.881   4.149
  180   1HG   GLN  21          1HG       GLN  21  -2.060   2.636   1.388
  181   2HG   GLN  21          2HG       GLN  21  -3.648   2.837   2.127
  182   2HE2  GLN  21          2HE2      GLN  21  -2.967   4.435   4.285
  183   1HE2  GLN  21          1HE2      GLN  21  -2.459   5.980   3.703
  184    H    LYS  22           H        LYS  22  -1.404   0.035   5.446
  185    HA   LYS  22           HA       LYS  22   0.855   1.139   6.707
  186   1HB   LYS  22          1HB       LYS  22   0.490  -0.611   8.437
  187   2HB   LYS  22          2HB       LYS  22  -0.969   0.280   8.030
  188   1HG   LYS  22          1HG       LYS  22  -1.853  -1.528   6.804
  189   2HG   LYS  22          2HG       LYS  22  -0.306  -2.378   6.804
  190   1HD   LYS  22          1HD       LYS  22  -0.934  -1.921   9.499
  191   2HD   LYS  22          2HD       LYS  22  -2.434  -2.458   8.739
  192   1HE   LYS  22          1HE       LYS  22  -0.966  -4.307   7.689
  193   2HE   LYS  22          2HE       LYS  22   0.197  -3.880   8.944
  194   1HZ   LYS  22          1HZ       LYS  22  -2.614  -4.703   9.439
  195   2HZ   LYS  22          2HZ       LYS  22  -1.267  -5.710   9.603
  196   3HZ   LYS  22          3HZ       LYS  22  -1.447  -4.370  10.619
  197    H    GLU  23           H        GLU  23   0.357  -1.929   5.027
  198    HA   GLU  23           HA       GLU  23   2.812  -3.130   5.642
  199   1HB   GLU  23          1HB       GLU  23   0.635  -3.573   3.777
  200   2HB   GLU  23          2HB       GLU  23   2.189  -3.954   3.049
  201   1HG   GLU  23          1HG       GLU  23   2.237  -5.076   5.618
  202   2HG   GLU  23          2HG       GLU  23   0.653  -5.451   4.942
  203    H    ILE  24           H        ILE  24   1.900  -0.951   2.997
  204    HA   ILE  24           HA       ILE  24   4.373  -1.067   1.646
  205    HB   ILE  24           HB       ILE  24   3.600   0.559   0.229
  206   1HG1  ILE  24          1HG1      ILE  24   1.655   2.171   1.249
  207   2HG1  ILE  24          2HG1      ILE  24   2.657   1.917   2.674
  208   1HG2  ILE  24          1HG2      ILE  24   1.723  -1.248   1.067
  209   2HG2  ILE  24          2HG2      ILE  24   0.848   0.279   1.118
  210   3HG2  ILE  24          3HG2      ILE  24   1.621  -0.244  -0.376
  211   1HD1  ILE  24          1HD1      ILE  24   4.340   2.472   0.446
  212   2HD1  ILE  24          2HD1      ILE  24   3.078   3.702   0.544
  213   3HD1  ILE  24          3HD1      ILE  24   4.120   3.395   1.933
  214    H    GLU  25           H        GLU  25   3.235   0.763   4.379
  215    HA   GLU  25           HA       GLU  25   5.229   2.739   4.478
  216   1HB   GLU  25          1HB       GLU  25   3.107   2.698   5.827
  217   2HB   GLU  25          2HB       GLU  25   3.840   1.464   6.840
  218   1HG   GLU  25          1HG       GLU  25   5.751   3.367   6.923
  219   2HG   GLU  25          2HG       GLU  25   4.307   4.361   6.745
  220    H    ARG  26           H        ARG  26   5.055  -0.519   5.852
  221    HA   ARG  26           HA       ARG  26   7.456  -0.468   7.293
  222   1HB   ARG  26          1HB       ARG  26   5.669  -2.246   7.397
  223   2HB   ARG  26          2HB       ARG  26   6.297  -2.875   5.880
  224   1HG   ARG  26          1HG       ARG  26   8.488  -2.603   7.637
  225   2HG   ARG  26          2HG       ARG  26   7.184  -3.383   8.534
  226   1HD   ARG  26          1HD       ARG  26   7.728  -4.343   5.780
  227   2HD   ARG  26          2HD       ARG  26   8.901  -4.752   7.031
  228    HE   ARG  26           HE       ARG  26   6.184  -5.314   7.776
  229   1HH1  ARG  26          1HH1      ARG  26   9.009  -6.521   6.134
  230   2HH1  ARG  26          2HH1      ARG  26   8.573  -8.185   6.334
  231   1HH2  ARG  26          1HH2      ARG  26   5.600  -7.502   8.044
  232   2HH2  ARG  26          2HH2      ARG  26   6.634  -8.744   7.419
  233    H    HIS  27           H        HIS  27   6.804  -1.589   3.971
  234    HA   HIS  27           HA       HIS  27   9.503  -2.173   3.360
  235   1HB   HIS  27          1HB       HIS  27   6.983  -1.853   1.812
  236   2HB   HIS  27          2HB       HIS  27   8.497  -1.737   0.920
  237    HD1  HIS  27           HD1      HIS  27  10.160  -3.892   1.356
  238    HD2  HIS  27           HD2      HIS  27   6.110  -4.395   2.138
  239    HE1  HIS  27           HE1      HIS  27   9.785  -6.379   1.382
  240    HE2  HIS  27           HE2      HIS  27   7.326  -6.661   1.857
  241    H    LYS  28           H        LYS  28   7.769   0.772   3.611
  242    HA   LYS  28           HA       LYS  28   9.418   2.314   1.845
  243   1HB   LYS  28          1HB       LYS  28   7.081   2.931   2.349
  244   2HB   LYS  28          2HB       LYS  28   7.525   3.202   4.028
  245   1HG   LYS  28          1HG       LYS  28   9.293   4.754   2.507
  246   2HG   LYS  28          2HG       LYS  28   7.701   4.979   1.785
  247   1HD   LYS  28          1HD       LYS  28   8.581   5.545   4.604
  248   2HD   LYS  28          2HD       LYS  28   7.883   6.655   3.427
  249   1HE   LYS  28          1HE       LYS  28   5.804   5.129   3.557
  250   2HE   LYS  28          2HE       LYS  28   6.531   4.523   5.044
  251   1HZ   LYS  28          1HZ       LYS  28   6.359   7.417   4.762
  252   2HZ   LYS  28          2HZ       LYS  28   4.897   6.594   4.990
  253   3HZ   LYS  28          3HZ       LYS  28   6.137   6.447   6.130
  254    H    GLN  29           H        GLN  29   9.383   1.511   5.248
  255    HA   GLN  29           HA       GLN  29  11.300   3.467   6.045
  256   1HB   GLN  29          1HB       GLN  29   9.728   2.479   7.645
  257   2HB   GLN  29          2HB       GLN  29  10.451   0.897   7.394
  258   1HG   GLN  29          1HG       GLN  29  12.616   1.891   8.219
  259   2HG   GLN  29          2HG       GLN  29  11.679   3.303   8.705
  260   2HE2  GLN  29          2HE2      GLN  29   9.422   2.259   9.713
  261   1HE2  GLN  29          1HE2      GLN  29   9.762   1.272  11.089
  262    H    SER  30           H        SER  30  11.441   0.074   5.087
  263    HA   SER  30           HA       SER  30  14.207  -0.269   5.659
  264   1HB   SER  30          1HB       SER  30  12.074  -1.823   4.336
  265   2HB   SER  30          2HB       SER  30  13.706  -2.151   3.751
  266    HG   SER  30           HG       SER  30  13.543  -3.473   5.445
  267    H    ILE  31           H        ILE  31  12.399   0.648   2.772
  268    HA   ILE  31           HA       ILE  31  14.682   0.674   1.045
  269    HB   ILE  31           HB       ILE  31  12.433   0.345   0.162
  270   1HG1  ILE  31          1HG1      ILE  31  12.507   2.107  -1.656
  271   2HG1  ILE  31          2HG1      ILE  31  13.860   2.830  -0.788
  272   1HG2  ILE  31          1HG2      ILE  31  11.299   1.867   1.778
  273   2HG2  ILE  31          2HG2      ILE  31  11.908   3.232   0.848
  274   3HG2  ILE  31          3HG2      ILE  31  10.787   2.091   0.107
  275   1HD1  ILE  31          1HD1      ILE  31  14.733   0.305  -0.971
  276   2HD1  ILE  31          2HD1      ILE  31  13.734   0.393  -2.421
  277   3HD1  ILE  31          3HD1      ILE  31  15.051   1.541  -2.186
  278    H    LYS  32           H        LYS  32  13.190   2.947   3.200
  279    HA   LYS  32           HA       LYS  32  14.478   5.259   2.063
  280   1HB   LYS  32          1HB       LYS  32  12.293   5.376   3.253
  281   2HB   LYS  32          2HB       LYS  32  13.121   4.959   4.748
  282   1HG   LYS  32          1HG       LYS  32  14.490   7.005   4.512
  283   2HG   LYS  32          2HG       LYS  32  13.540   7.435   3.088
  284   1HD   LYS  32          1HD       LYS  32  12.546   7.123   5.918
  285   2HD   LYS  32          2HD       LYS  32  12.662   8.618   4.988
  286   1HE   LYS  32          1HE       LYS  32  11.129   7.175   3.327
  287   2HE   LYS  32          2HE       LYS  32  10.660   6.445   4.862
  288   1HZ   LYS  32          1HZ       LYS  32  10.608   9.110   5.380
  289   2HZ   LYS  32          2HZ       LYS  32  10.015   9.028   3.799
  290   3HZ   LYS  32          3HZ       LYS  32   9.261   8.149   5.033
  291    H    LYS  33           H        LYS  33  15.144   2.925   4.559
  292    HA   LYS  33           HA       LYS  33  17.246   4.441   5.794
  293   1HB   LYS  33          1HB       LYS  33  15.844   2.609   6.889
  294   2HB   LYS  33          2HB       LYS  33  16.835   1.461   6.000
  295   1HG   LYS  33          1HG       LYS  33  17.807   1.589   8.121
  296   2HG   LYS  33          2HG       LYS  33  18.838   2.584   7.090
  297   1HD   LYS  33          1HD       LYS  33  18.256   4.506   8.138
  298   2HD   LYS  33          2HD       LYS  33  16.598   3.973   8.423
  299   1HE   LYS  33          1HE       LYS  33  17.917   2.275  10.038
  300   2HE   LYS  33          2HE       LYS  33  19.014   3.655  10.092
  301   1HZ   LYS  33          1HZ       LYS  33  16.108   3.953  10.559
  302   2HZ   LYS  33          2HZ       LYS  33  17.180   3.576  11.812
  303   3HZ   LYS  33          3HZ       LYS  33  17.351   5.027  10.960
  304    H    LEU  34           H        LEU  34  17.012   1.931   3.344
  305    HA   LEU  34           HA       LEU  34  19.828   1.495   3.142
  306   1HB   LEU  34          1HB       LEU  34  17.657   0.113   2.314
  307   2HB   LEU  34          2HB       LEU  34  18.113   0.894   0.812
  308    HG   LEU  34           HG       LEU  34  19.186  -1.188   0.749
  309   1HD1  LEU  34          1HD1      LEU  34  21.083   0.943   1.687
  310   2HD1  LEU  34          2HD1      LEU  34  21.632  -0.635   1.123
  311   3HD1  LEU  34          3HD1      LEU  34  20.737   0.428   0.036
  312   1HD2  LEU  34          1HD2      LEU  34  19.203  -0.906   3.604
  313   2HD2  LEU  34          2HD2      LEU  34  19.410  -2.357   2.622
  314   3HD2  LEU  34          3HD2      LEU  34  20.807  -1.360   3.028
  315    H    LYS  35           H        LYS  35  17.478   3.515   1.464
  316    HA   LYS  35           HA       LYS  35  19.361   4.427  -0.505
  317   1HB   LYS  35          1HB       LYS  35  16.923   4.328  -0.939
  318   2HB   LYS  35          2HB       LYS  35  16.675   5.583   0.267
  319   1HG   LYS  35          1HG       LYS  35  16.609   6.642  -1.841
  320   2HG   LYS  35          2HG       LYS  35  18.162   7.061  -1.117
  321   1HD   LYS  35          1HD       LYS  35  19.004   6.423  -3.103
  322   2HD   LYS  35          2HD       LYS  35  18.800   4.790  -2.468
  323   1HE   LYS  35          1HE       LYS  35  17.821   4.791  -4.621
  324   2HE   LYS  35          2HE       LYS  35  16.486   4.820  -3.470
  325   1HZ   LYS  35          1HZ       LYS  35  16.889   7.429  -3.870
  326   2HZ   LYS  35          2HZ       LYS  35  17.316   6.823  -5.390
  327   3HZ   LYS  35          3HZ       LYS  35  15.782   6.502  -4.753
  328    H    GLN  36           H        GLN  36  18.350   5.403   2.665
  329    HA   GLN  36           HA       GLN  36  19.429   8.063   2.491
  330   1HB   GLN  36          1HB       GLN  36  18.261   6.378   4.674
  331   2HB   GLN  36          2HB       GLN  36  19.166   7.826   5.093
  332   1HG   GLN  36          1HG       GLN  36  17.652   9.186   3.786
  333   2HG   GLN  36          2HG       GLN  36  16.776   7.748   3.264
  334   2HE2  GLN  36          2HE2      GLN  36  15.353   9.696   4.401
  335   1HE2  GLN  36          1HE2      GLN  36  14.860   9.260   5.998
  336    H    SER  37           H        SER  37  20.595   4.913   3.341
  337    HA   SER  37           HA       SER  37  22.883   5.780   4.814
  338   1HB   SER  37          1HB       SER  37  23.584   3.484   4.759
  339   2HB   SER  37          2HB       SER  37  21.833   3.492   4.975
  340    HG   SER  37           HG       SER  37  22.360   2.003   3.388
  341    H    GLU  38           H        GLU  38  22.178   5.192   1.444
  342    HA   GLU  38           HA       GLU  38  24.895   5.156   0.564
  343   1HB   GLU  38          1HB       GLU  38  23.157   4.106  -0.771
  344   2HB   GLU  38          2HB       GLU  38  22.321   5.643  -0.946
  345   1HG   GLU  38          1HG       GLU  38  23.674   4.871  -2.924
  346   2HG   GLU  38          2HG       GLU  38  23.985   6.511  -2.357
  347    H    ASP  39           H        ASP  39  22.567   7.630   1.247
  348    HA   ASP  39           HA       ASP  39  24.571   9.658   0.566
  349   1HB   ASP  39          1HB       ASP  39  22.729   9.365  -1.231
  350   2HB   ASP  39          2HB       ASP  39  21.668  10.136  -0.056
  351    H    ASP  40           H        ASP  40  24.002   8.615   3.097
  352    HA   ASP  40           HA       ASP  40  22.114  10.128   4.550
  353   1HB   ASP  40          1HB       ASP  40  23.350   7.948   5.212
  354   2HB   ASP  40          2HB       ASP  40  24.627   9.021   5.776
  355    H    ASP  41           H        ASP  41  22.387  11.904   5.928
  356    HA   ASP  41           HA       ASP  41  24.650  13.632   5.204
  357   1HB   ASP  41          1HB       ASP  41  21.870  14.111   5.355
  358   2HB   ASP  41          2HB       ASP  41  22.603  15.010   6.679
  359    H1   ALA   1           H1       ALA   1  32.488   6.766  -4.226
  360    H2   ALA   1           H2       ALA   1  32.053   8.081  -3.211
  361    H3   ALA   1           H3       ALA   1  33.223   6.939  -2.687
  362    HA   ALA   1           HA       ALA   1  31.733   5.389  -2.191
  363   1HB   ALA   1          1HB       ALA   1  29.941   7.796  -1.985
  364   2HB   ALA   1          2HB       ALA   1  31.311   7.521  -0.909
  365   3HB   ALA   1          3HB       ALA   1  29.976   6.369  -0.947
  366    H    LEU   2           H        LEU   2  31.014   3.952  -3.641
  367    HA   LEU   2           HA       LEU   2  28.694   4.724  -5.282
  368   1HB   LEU   2          1HB       LEU   2  30.636   4.549  -6.725
  369   2HB   LEU   2          2HB       LEU   2  31.012   2.964  -6.078
  370    HG   LEU   2           HG       LEU   2  28.426   2.669  -7.025
  371   1HD1  LEU   2          1HD1      LEU   2  29.785   4.807  -8.481
  372   2HD1  LEU   2          2HD1      LEU   2  29.203   3.497  -9.508
  373   3HD1  LEU   2          3HD1      LEU   2  28.081   4.356  -8.452
  374   1HD2  LEU   2          1HD2      LEU   2  30.489   1.181  -7.172
  375   2HD2  LEU   2          2HD2      LEU   2  29.381   1.155  -8.543
  376   3HD2  LEU   2          3HD2      LEU   2  30.885   2.069  -8.643
  377    H    LYS   3           H        LYS   3  30.396   1.645  -4.784
  378    HA   LYS   3           HA       LYS   3  29.682  -0.391  -4.066
  379   1HB   LYS   3          1HB       LYS   3  27.915   1.406  -2.413
  380   2HB   LYS   3          2HB       LYS   3  27.876  -0.345  -2.259
  381   1HG   LYS   3          1HG       LYS   3  29.297   0.411  -0.554
  382   2HG   LYS   3          2HG       LYS   3  30.363  -0.228  -1.809
  383   1HD   LYS   3          1HD       LYS   3  31.192   1.898  -0.920
  384   2HD   LYS   3          2HD       LYS   3  30.770   2.033  -2.628
  385   1HE   LYS   3          1HE       LYS   3  29.263   3.617  -2.207
  386   2HE   LYS   3          2HE       LYS   3  28.507   2.643  -0.946
  387   1HZ   LYS   3          1HZ       LYS   3  30.379   3.394   0.529
  388   2HZ   LYS   3          2HZ       LYS   3  30.784   4.517  -0.670
  389   3HZ   LYS   3          3HZ       LYS   3  29.274   4.596   0.087
  390    H    LYS   4           H        LYS   4  28.106  -1.995  -4.453
  391    HA   LYS   4           HA       LYS   4  25.768  -1.096  -6.000
  392   1HB   LYS   4          1HB       LYS   4  26.155  -3.311  -7.305
  393   2HB   LYS   4          2HB       LYS   4  27.121  -1.898  -7.707
  394   1HG   LYS   4          1HG       LYS   4  28.825  -2.884  -6.030
  395   2HG   LYS   4          2HG       LYS   4  27.923  -4.383  -6.258
  396   1HD   LYS   4          1HD       LYS   4  29.296  -4.709  -8.003
  397   2HD   LYS   4          2HD       LYS   4  28.267  -3.538  -8.831
  398   1HE   LYS   4          1HE       LYS   4  29.854  -1.782  -7.760
  399   2HE   LYS   4          2HE       LYS   4  30.953  -3.147  -7.572
  400   1HZ   LYS   4          1HZ       LYS   4  29.723  -2.404 -10.166
  401   2HZ   LYS   4          2HZ       LYS   4  31.231  -1.827  -9.660
  402   3HZ   LYS   4          3HZ       LYS   4  30.996  -3.485  -9.899
  403    H    HIS   5           H        HIS   5  26.264  -2.095  -3.163
  404    HA   HIS   5           HA       HIS   5  24.652  -4.534  -3.169
  405   1HB   HIS   5          1HB       HIS   5  25.739  -3.179  -0.713
  406   2HB   HIS   5          2HB       HIS   5  25.343  -4.878  -0.947
  407    HD1  HIS   5           HD1      HIS   5  26.993  -5.141  -3.663
  408    HD2  HIS   5           HD2      HIS   5  28.393  -3.624  -0.057
  409    HE1  HIS   5           HE1      HIS   5  29.492  -5.414  -3.744
  410    HE2  HIS   5           HE2      HIS   5  30.319  -4.489  -1.552
  411    H    HIS   6           H        HIS   6  24.612  -1.204  -2.000
  412    HA   HIS   6           HA       HIS   6  22.169  -1.339  -0.611
  413   1HB   HIS   6          1HB       HIS   6  23.704   0.934  -1.858
  414   2HB   HIS   6          2HB       HIS   6  22.148   1.199  -1.079
  415    HD1  HIS   6           HD1      HIS   6  23.673  -1.366   0.823
  416    HD2  HIS   6           HD2      HIS   6  24.215   2.745   0.545
  417    HE1  HIS   6           HE1      HIS   6  24.849  -0.698   2.944
  418    HE2  HIS   6           HE2      HIS   6  25.168   1.794   2.754
  419    H    GLU   7           H        GLU   7  22.934  -0.548  -3.977
  420    HA   GLU   7           HA       GLU   7  20.347   0.193  -4.772
  421   1HB   GLU   7          1HB       GLU   7  21.194  -0.565  -7.083
  422   2HB   GLU   7          2HB       GLU   7  22.048   0.747  -6.283
  423   1HG   GLU   7          1HG       GLU   7  23.913  -0.509  -5.898
  424   2HG   GLU   7          2HG       GLU   7  23.017  -2.028  -5.860
  425    H    ASN   8           H        ASN   8  21.780  -2.888  -4.123
  426    HA   ASN   8           HA       ASN   8  19.954  -4.489  -5.607
  427   1HB   ASN   8          1HB       ASN   8  22.197  -4.913  -3.831
  428   2HB   ASN   8          2HB       ASN   8  20.880  -6.013  -3.437
  429   2HD2  ASN   8          2HD2      ASN   8  23.617  -5.945  -5.025
  430   1HD2  ASN   8          1HD2      ASN   8  23.265  -6.973  -6.367
  431    H    GLU   9           H        GLU   9  20.255  -3.968  -2.079
  432    HA   GLU   9           HA       GLU   9  17.672  -5.052  -1.538
  433   1HB   GLU   9          1HB       GLU   9  19.652  -3.470   0.084
  434   2HB   GLU   9          2HB       GLU   9  18.067  -3.875   0.727
  435   1HG   GLU   9          1HG       GLU   9  19.690  -5.479   1.483
  436   2HG   GLU   9          2HG       GLU   9  18.555  -6.257   0.381
  437    H    ILE  10           H        ILE  10  18.648  -2.117  -2.842
  438    HA   ILE  10           HA       ILE  10  16.440  -0.557  -1.792
  439    HB   ILE  10           HB       ILE  10  18.830   0.046  -3.516
  440   1HG1  ILE  10          1HG1      ILE  10  17.792   1.430  -1.044
  441   2HG1  ILE  10          2HG1      ILE  10  18.905   0.067  -0.999
  442   1HG2  ILE  10          1HG2      ILE  10  16.283   1.423  -3.680
  443   2HG2  ILE  10          2HG2      ILE  10  17.597   2.492  -3.189
  444   3HG2  ILE  10          3HG2      ILE  10  17.723   1.572  -4.687
  445   1HD1  ILE  10          1HD1      ILE  10  20.520   1.383  -2.308
  446   2HD1  ILE  10          2HD1      ILE  10  19.409   2.753  -2.257
  447   3HD1  ILE  10          3HD1      ILE  10  20.114   2.133  -0.763
  448    H    SER  11           H        SER  11  17.332  -2.397  -4.594
  449    HA   SER  11           HA       SER  11  15.248  -1.299  -6.264
  450   1HB   SER  11          1HB       SER  11  17.459  -3.222  -6.584
  451   2HB   SER  11          2HB       SER  11  16.007  -3.625  -7.497
  452    HG   SER  11           HG       SER  11  16.511  -2.100  -8.834
  453    H    HIS  12           H        HIS  12  15.711  -3.958  -4.074
  454    HA   HIS  12           HA       HIS  12  13.337  -5.350  -4.907
  455   1HB   HIS  12          1HB       HIS  12  14.628  -6.968  -4.006
  456   2HB   HIS  12          2HB       HIS  12  15.585  -5.815  -3.092
  457    HD1  HIS  12           HD1      HIS  12  12.535  -7.996  -2.810
  458    HD2  HIS  12           HD2      HIS  12  14.918  -5.570  -0.431
  459    HE1  HIS  12           HE1      HIS  12  11.830  -8.481  -0.444
  460    HE2  HIS  12           HE2      HIS  12  13.289  -7.003   0.984
  461    H    HIS  13           H        HIS  13  14.280  -3.351  -2.082
  462    HA   HIS  13           HA       HIS  13  11.682  -3.434  -0.913
  463   1HB   HIS  13          1HB       HIS  13  13.849  -1.357  -0.554
  464   2HB   HIS  13          2HB       HIS  13  12.428  -1.544   0.462
  465    HD1  HIS  13           HD1      HIS  13  12.677  -4.722   0.653
  466    HD2  HIS  13           HD2      HIS  13  15.637  -1.919   1.426
  467    HE1  HIS  13           HE1      HIS  13  14.287  -5.866   2.214
  468    HE2  HIS  13           HE2      HIS  13  16.080  -4.152   2.666
  469    H    ALA  14           H        ALA  14  13.176  -1.544  -3.412
  470    HA   ALA  14           HA       ALA  14  11.380   0.650  -3.382
  471   1HB   ALA  14          1HB       ALA  14  13.321  -0.445  -5.378
  472   2HB   ALA  14          2HB       ALA  14  13.341   1.100  -4.527
  473   3HB   ALA  14          3HB       ALA  14  12.199   0.833  -5.843
  474    H    LYS  15           H        LYS  15  11.495  -2.369  -5.238
  475    HA   LYS  15           HA       LYS  15   9.102  -1.830  -6.690
  476   1HB   LYS  15          1HB       LYS  15  10.898  -3.400  -7.443
  477   2HB   LYS  15          2HB       LYS  15  10.406  -4.506  -6.168
  478   1HG   LYS  15          1HG       LYS  15   8.708  -5.293  -7.369
  479   2HG   LYS  15          2HG       LYS  15   8.176  -3.675  -7.828
  480   1HD   LYS  15          1HD       LYS  15   9.957  -3.619  -9.544
  481   2HD   LYS  15          2HD       LYS  15  10.386  -5.276  -9.117
  482   1HE   LYS  15          1HE       LYS  15   8.835  -4.899 -11.133
  483   2HE   LYS  15          2HE       LYS  15   8.396  -6.140  -9.960
  484   1HZ   LYS  15          1HZ       LYS  15   7.349  -3.407  -9.651
  485   2HZ   LYS  15          2HZ       LYS  15   6.628  -4.456 -10.766
  486   3HZ   LYS  15          3HZ       LYS  15   6.686  -4.872  -9.127
  487    H    GLU  16           H        GLU  16   9.780  -2.987  -3.523
  488    HA   GLU  16           HA       GLU  16   7.297  -4.398  -3.185
  489   1HB   GLU  16          1HB       GLU  16   9.744  -4.068  -1.713
  490   2HB   GLU  16          2HB       GLU  16   8.371  -3.759  -0.658
  491   1HG   GLU  16          1HG       GLU  16   7.842  -5.911  -0.552
  492   2HG   GLU  16          2HG       GLU  16   7.978  -6.115  -2.297
  493    H    ILE  17           H        ILE  17   8.524  -1.169  -2.433
  494    HA   ILE  17           HA       ILE  17   6.171  -0.461  -0.911
  495    HB   ILE  17           HB       ILE  17   8.235   0.600  -0.306
  496   1HG1  ILE  17          1HG1      ILE  17   5.972   1.907  -0.408
  497   2HG1  ILE  17          2HG1      ILE  17   7.458   2.760  -0.020
  498   1HG2  ILE  17          1HG2      ILE  17   8.466   1.088  -3.201
  499   2HG2  ILE  17          2HG2      ILE  17   9.064   2.366  -2.144
  500   3HG2  ILE  17          3HG2      ILE  17   9.707   0.731  -1.999
  501   1HD1  ILE  17          1HD1      ILE  17   7.559   3.355  -2.499
  502   2HD1  ILE  17          2HD1      ILE  17   5.886   2.807  -2.571
  503   3HD1  ILE  17          3HD1      ILE  17   6.330   4.146  -1.516
  504    H    GLU  18           H        GLU  18   7.320  -0.117  -4.202
  505    HA   GLU  18           HA       GLU  18   5.200   1.679  -4.973
  506   1HB   GLU  18          1HB       GLU  18   7.604   0.561  -6.195
  507   2HB   GLU  18          2HB       GLU  18   6.240   0.604  -7.304
  508   1HG   GLU  18          1HG       GLU  18   6.737   3.052  -5.733
  509   2HG   GLU  18          2HG       GLU  18   7.928   2.644  -6.968
  510    H    ARG  19           H        ARG  19   5.810  -1.758  -4.984
  511    HA   ARG  19           HA       ARG  19   3.620  -2.401  -6.726
  512   1HB   ARG  19          1HB       ARG  19   5.480  -3.927  -6.634
  513   2HB   ARG  19          2HB       ARG  19   5.319  -4.096  -4.891
  514   1HG   ARG  19          1HG       ARG  19   2.869  -4.797  -6.256
  515   2HG   ARG  19          2HG       ARG  19   4.239  -5.750  -6.831
  516   1HD   ARG  19          1HD       ARG  19   4.659  -5.822  -4.159
  517   2HD   ARG  19          2HD       ARG  19   2.898  -5.740  -4.210
  518    HE   ARG  19           HE       ARG  19   2.918  -7.926  -4.825
  519   1HH1  ARG  19          1HH1      ARG  19   5.912  -6.480  -5.861
  520   2HH1  ARG  19          2HH1      ARG  19   6.549  -7.953  -6.512
  521   1HH2  ARG  19          1HH2      ARG  19   3.747  -9.872  -5.678
  522   2HH2  ARG  19          2HH2      ARG  19   5.318  -9.882  -6.408
  523    H    LEU  20           H        LEU  20   4.153  -2.288  -3.232
  524    HA   LEU  20           HA       LEU  20   1.608  -3.409  -2.585
  525   1HB   LEU  20          1HB       LEU  20   3.499  -1.729  -0.932
  526   2HB   LEU  20          2HB       LEU  20   2.076  -2.542  -0.308
  527    HG   LEU  20           HG       LEU  20   4.214  -4.123  -1.683
  528   1HD1  LEU  20          1HD1      LEU  20   4.890  -2.522   0.389
  529   2HD1  LEU  20          2HD1      LEU  20   4.356  -3.967   1.247
  530   3HD1  LEU  20          3HD1      LEU  20   5.646  -4.080   0.049
  531   1HD2  LEU  20          1HD2      LEU  20   1.855  -4.940  -0.936
  532   2HD2  LEU  20          2HD2      LEU  20   3.272  -5.941  -0.625
  533   3HD2  LEU  20          3HD2      LEU  20   2.581  -4.964   0.670
  534    H    GLN  21           H        GLN  21   2.865  -0.205  -3.184
  535    HA   GLN  21           HA       GLN  21   0.688   1.282  -2.182
  536   1HB   GLN  21          1HB       GLN  21   3.001   1.792  -3.957
  537   2HB   GLN  21          2HB       GLN  21   1.633   2.879  -4.152
  538   1HG   GLN  21          1HG       GLN  21   2.058   2.649  -1.389
  539   2HG   GLN  21          2HG       GLN  21   3.650   2.843  -2.124
  540   2HE2  GLN  21          2HE2      GLN  21   2.966   4.428  -4.298
  541   1HE2  GLN  21          1HE2      GLN  21   2.463   5.978  -3.724
  542    H    LYS  22           H        LYS  22   1.407   0.036  -5.440
  543    HA   LYS  22           HA       LYS  22  -0.849   1.137  -6.706
  544   1HB   LYS  22          1HB       LYS  22  -0.483  -0.614  -8.433
  545   2HB   LYS  22          2HB       LYS  22   0.979   0.272  -8.021
  546   1HG   LYS  22          1HG       LYS  22   1.851  -1.541  -6.794
  547   2HG   LYS  22          2HG       LYS  22   0.300  -2.384  -6.795
  548   1HD   LYS  22          1HD       LYS  22   0.928  -1.937  -9.489
  549   2HD   LYS  22          2HD       LYS  22   2.429  -2.470  -8.729
  550   1HE   LYS  22          1HE       LYS  22   0.965  -4.316  -7.671
  551   2HE   LYS  22          2HE       LYS  22  -0.200  -3.895  -8.926
  552   1HZ   LYS  22          1HZ       LYS  22   2.612  -4.717  -9.420
  553   2HZ   LYS  22          2HZ       LYS  22   1.264  -5.727  -9.579
  554   3HZ   LYS  22          3HZ       LYS  22   1.443  -4.390 -10.600
  555    H    GLU  23           H        GLU  23  -0.359  -1.928  -5.018
  556    HA   GLU  23           HA       GLU  23  -2.813  -3.126  -5.635
  557   1HB   GLU  23          1HB       GLU  23  -0.638  -3.570  -3.767
  558   2HB   GLU  23          2HB       GLU  23  -2.193  -3.945  -3.038
  559   1HG   GLU  23          1HG       GLU  23  -2.249  -5.077  -5.600
  560   2HG   GLU  23          2HG       GLU  23  -0.660  -5.447  -4.933
  561    H    ILE  24           H        ILE  24  -1.899  -0.953  -2.983
  562    HA   ILE  24           HA       ILE  24  -4.380  -1.064  -1.644
  563    HB   ILE  24           HB       ILE  24  -3.616   0.565  -0.224
  564   1HG1  ILE  24          1HG1      ILE  24  -1.646   2.158  -1.239
  565   2HG1  ILE  24          2HG1      ILE  24  -2.654   1.914  -2.663
  566   1HG2  ILE  24          1HG2      ILE  24  -1.719  -1.242  -1.075
  567   2HG2  ILE  24          2HG2      ILE  24  -0.855   0.293  -1.040
  568   3HG2  ILE  24          3HG2      ILE  24  -1.676  -0.290   0.403
  569   1HD1  ILE  24          1HD1      ILE  24  -4.341   2.478  -0.451
  570   2HD1  ILE  24          2HD1      ILE  24  -3.060   3.691  -0.516
  571   3HD1  ILE  24          3HD1      ILE  24  -4.089   3.417  -1.923
  572    H    GLU  25           H        GLU  25  -3.231   0.751  -4.380
  573    HA   GLU  25           HA       GLU  25  -5.212   2.742  -4.479
  574   1HB   GLU  25          1HB       GLU  25  -3.091   2.701  -5.825
  575   2HB   GLU  25          2HB       GLU  25  -3.818   1.459  -6.836
  576   1HG   GLU  25          1HG       GLU  25  -5.734   3.362  -6.928
  577   2HG   GLU  25          2HG       GLU  25  -4.285   4.355  -6.765
  578    H    ARG  26           H        ARG  26  -5.052  -0.514  -5.859
  579    HA   ARG  26           HA       ARG  26  -7.447  -0.451  -7.304
  580   1HB   ARG  26          1HB       ARG  26  -5.681  -2.241  -7.415
  581   2HB   ARG  26          2HB       ARG  26  -6.289  -2.856  -5.884
  582   1HG   ARG  26          1HG       ARG  26  -8.505  -2.598  -7.613
  583   2HG   ARG  26          2HG       ARG  26  -7.214  -3.383  -8.524
  584   1HD   ARG  26          1HD       ARG  26  -7.721  -4.324  -5.755
  585   2HD   ARG  26          2HD       ARG  26  -8.905  -4.746  -6.991
  586    HE   ARG  26           HE       ARG  26  -6.190  -5.305  -7.753
  587   1HH1  ARG  26          1HH1      ARG  26  -9.008  -6.509  -6.097
  588   2HH1  ARG  26          2HH1      ARG  26  -8.569  -8.173  -6.290
  589   1HH2  ARG  26          1HH2      ARG  26  -5.603  -7.494  -8.013
  590   2HH2  ARG  26          2HH2      ARG  26  -6.634  -8.734  -7.379
  591    H    HIS  27           H        HIS  27  -6.803  -1.536  -3.974
  592    HA   HIS  27           HA       HIS  27  -9.500  -2.132  -3.364
  593   1HB   HIS  27          1HB       HIS  27  -6.987  -1.783  -1.813
  594   2HB   HIS  27          2HB       HIS  27  -8.504  -1.668  -0.926
  595    HD1  HIS  27           HD1      HIS  27 -10.147  -3.836  -1.310
  596    HD2  HIS  27           HD2      HIS  27  -6.107  -4.326  -2.154
  597    HE1  HIS  27           HE1      HIS  27  -9.759  -6.321  -1.323
  598    HE2  HIS  27           HE2      HIS  27  -7.308  -6.595  -1.838
  599    H    LYS  28           H        LYS  28  -7.762   0.829  -3.586
  600    HA   LYS  28           HA       LYS  28  -9.454   2.357  -1.854
  601   1HB   LYS  28          1HB       LYS  28  -7.228   3.162  -2.197
  602   2HB   LYS  28          2HB       LYS  28  -7.422   3.128  -3.945
  603   1HG   LYS  28          1HG       LYS  28  -9.201   4.890  -3.669
  604   2HG   LYS  28          2HG       LYS  28  -8.696   5.017  -1.985
  605   1HD   LYS  28          1HD       LYS  28  -7.690   6.697  -3.575
  606   2HD   LYS  28          2HD       LYS  28  -6.547   5.790  -2.587
  607   1HE   LYS  28          1HE       LYS  28  -5.729   4.615  -4.373
  608   2HE   LYS  28          2HE       LYS  28  -7.239   4.729  -5.277
  609   1HZ   LYS  28          1HZ       LYS  28  -6.414   7.308  -5.087
  610   2HZ   LYS  28          2HZ       LYS  28  -4.960   6.469  -5.303
  611   3HZ   LYS  28          3HZ       LYS  28  -6.206   6.308  -6.435
  612    H    GLN  29           H        GLN  29  -9.372   1.567  -5.257
  613    HA   GLN  29           HA       GLN  29 -11.321   3.477  -6.071
  614   1HB   GLN  29          1HB       GLN  29  -9.731   2.491  -7.659
  615   2HB   GLN  29          2HB       GLN  29 -10.440   0.904  -7.396
  616   1HG   GLN  29          1HG       GLN  29 -12.614   1.877  -8.232
  617   2HG   GLN  29          2HG       GLN  29 -11.681   3.286  -8.736
  618   2HE2  GLN  29          2HE2      GLN  29  -9.417   2.234  -9.724
  619   1HE2  GLN  29          1HE2      GLN  29  -9.752   1.229 -11.088
  620    H    SER  30           H        SER  30 -11.420   0.110  -5.038
  621    HA   SER  30           HA       SER  30 -14.183  -0.279  -5.625
  622   1HB   SER  30          1HB       SER  30 -12.030  -1.800  -4.302
  623   2HB   SER  30          2HB       SER  30 -13.654  -2.145  -3.709
  624    HG   SER  30           HG       SER  30 -13.536  -3.461  -5.396
  625    H    ILE  31           H        ILE  31 -12.393   0.613  -2.704
  626    HA   ILE  31           HA       ILE  31 -14.709   0.647  -1.023
  627    HB   ILE  31           HB       ILE  31 -12.542   0.249  -0.048
  628   1HG1  ILE  31          1HG1      ILE  31 -12.489   2.158   1.668
  629   2HG1  ILE  31          2HG1      ILE  31 -13.872   2.812   0.793
  630   1HG2  ILE  31          1HG2      ILE  31 -11.634   2.159  -1.795
  631   2HG2  ILE  31          2HG2      ILE  31 -11.491   2.952  -0.228
  632   3HG2  ILE  31          3HG2      ILE  31 -10.694   1.406  -0.509
  633   1HD1  ILE  31          1HD1      ILE  31 -13.841   0.010   1.847
  634   2HD1  ILE  31          2HD1      ILE  31 -14.334   1.382   2.837
  635   3HD1  ILE  31          3HD1      ILE  31 -15.225   0.993   1.365
  636    H    LYS  32           H        LYS  32 -13.210   2.896  -3.174
  637    HA   LYS  32           HA       LYS  32 -14.457   5.229  -2.021
  638   1HB   LYS  32          1HB       LYS  32 -12.275   5.354  -3.197
  639   2HB   LYS  32          2HB       LYS  32 -13.078   4.905  -4.694
  640   1HG   LYS  32          1HG       LYS  32 -14.475   6.947  -4.494
  641   2HG   LYS  32          2HG       LYS  32 -13.516   7.411  -3.087
  642   1HD   LYS  32          1HD       LYS  32 -12.538   7.035  -5.915
  643   2HD   LYS  32          2HD       LYS  32 -12.660   8.554  -5.024
  644   1HE   LYS  32          1HE       LYS  32 -11.111   7.146  -3.337
  645   2HE   LYS  32          2HE       LYS  32 -10.634   6.411  -4.866
  646   1HZ   LYS  32          1HZ       LYS  32 -10.624   9.075  -5.403
  647   2HZ   LYS  32          2HZ       LYS  32 -10.022   9.009  -3.823
  648   3HZ   LYS  32          3HZ       LYS  32  -9.261   8.135  -5.058
  649    H    LYS  33           H        LYS  33 -15.110   2.929  -4.564
  650    HA   LYS  33           HA       LYS  33 -17.207   4.454  -5.785
  651   1HB   LYS  33          1HB       LYS  33 -15.822   2.635  -6.901
  652   2HB   LYS  33          2HB       LYS  33 -16.787   1.473  -6.001
  653   1HG   LYS  33          1HG       LYS  33 -17.798   1.586  -8.098
  654   2HG   LYS  33          2HG       LYS  33 -18.818   2.589  -7.063
  655   1HD   LYS  33          1HD       LYS  33 -18.262   4.498  -8.143
  656   2HD   LYS  33          2HD       LYS  33 -16.601   3.977  -8.428
  657   1HE   LYS  33          1HE       LYS  33 -17.916   2.250 -10.019
  658   2HE   LYS  33          2HE       LYS  33 -19.018   3.625 -10.086
  659   1HZ   LYS  33          1HZ       LYS  33 -16.114   3.921 -10.567
  660   2HZ   LYS  33          2HZ       LYS  33 -17.190   3.535 -11.812
  661   3HZ   LYS  33          3HZ       LYS  33 -17.358   4.994 -10.971
  662    H    LEU  34           H        LEU  34 -16.995   1.925  -3.353
  663    HA   LEU  34           HA       LEU  34 -19.811   1.496  -3.158
  664   1HB   LEU  34          1HB       LEU  34 -17.652   0.107  -2.330
  665   2HB   LEU  34          2HB       LEU  34 -18.094   0.894  -0.827
  666    HG   LEU  34           HG       LEU  34 -19.176  -1.183  -0.753
  667   1HD1  LEU  34          1HD1      LEU  34 -21.070   0.954  -1.687
  668   2HD1  LEU  34          2HD1      LEU  34 -21.620  -0.618  -1.109
  669   3HD1  LEU  34          3HD1      LEU  34 -20.713   0.448  -0.036
  670   1HD2  LEU  34          1HD2      LEU  34 -19.213  -0.906  -3.609
  671   2HD2  LEU  34          2HD2      LEU  34 -19.418  -2.353  -2.624
  672   3HD2  LEU  34          3HD2      LEU  34 -20.814  -1.352  -3.021
  673    H    LYS  35           H        LYS  35 -17.464   3.502  -1.451
  674    HA   LYS  35           HA       LYS  35 -19.358   4.419   0.502
  675   1HB   LYS  35          1HB       LYS  35 -16.930   4.325   0.962
  676   2HB   LYS  35          2HB       LYS  35 -16.662   5.561  -0.259
  677   1HG   LYS  35          1HG       LYS  35 -16.608   6.659   1.823
  678   2HG   LYS  35          2HG       LYS  35 -18.163   7.064   1.095
  679   1HD   LYS  35          1HD       LYS  35 -18.991   6.463   3.099
  680   2HD   LYS  35          2HD       LYS  35 -18.807   4.821   2.478
  681   1HE   LYS  35          1HE       LYS  35 -17.812   4.821   4.619
  682   2HE   LYS  35          2HE       LYS  35 -16.480   4.848   3.464
  683   1HZ   LYS  35          1HZ       LYS  35 -16.878   7.457   3.862
  684   2HZ   LYS  35          2HZ       LYS  35 -17.304   6.855   5.383
  685   3HZ   LYS  35          3HZ       LYS  35 -15.771   6.530   4.744
  686    H    GLN  36           H        GLN  36 -18.356   5.386  -2.668
  687    HA   GLN  36           HA       GLN  36 -19.423   8.052  -2.496
  688   1HB   GLN  36          1HB       GLN  36 -18.260   6.361  -4.676
  689   2HB   GLN  36          2HB       GLN  36 -19.165   7.807  -5.099
  690   1HG   GLN  36          1HG       GLN  36 -17.652   9.176  -3.804
  691   2HG   GLN  36          2HG       GLN  36 -16.777   7.742  -3.269
  692   2HE2  GLN  36          2HE2      GLN  36 -15.364   9.694  -4.428
  693   1HE2  GLN  36          1HE2      GLN  36 -14.864   9.239  -6.019
  694    H    SER  37           H        SER  37 -20.597   4.906  -3.346
  695    HA   SER  37           HA       SER  37 -22.886   5.776  -4.814
  696   1HB   SER  37          1HB       SER  37 -23.590   3.480  -4.755
  697   2HB   SER  37          2HB       SER  37 -21.841   3.486  -4.972
  698    HG   SER  37           HG       SER  37 -22.357   2.002  -3.384
  699    H    GLU  38           H        GLU  38 -22.174   5.198  -1.445
  700    HA   GLU  38           HA       GLU  38 -24.890   5.165  -0.561
  701   1HB   GLU  38          1HB       GLU  38 -23.151   4.118   0.774
  702   2HB   GLU  38          2HB       GLU  38 -22.314   5.654   0.944
  703   1HG   GLU  38          1HG       GLU  38 -23.665   4.885   2.926
  704   2HG   GLU  38          2HG       GLU  38 -23.973   6.525   2.358
  705    H    ASP  39           H        ASP  39 -22.571   7.636  -1.267
  706    HA   ASP  39           HA       ASP  39 -24.570   9.665  -0.584
  707   1HB   ASP  39          1HB       ASP  39 -22.726   9.381   1.212
  708   2HB   ASP  39          2HB       ASP  39 -21.666  10.146   0.033
  709    H    ASP  40           H        ASP  40 -23.998   8.612  -3.112
  710    HA   ASP  40           HA       ASP  40 -22.116  10.123  -4.572
  711   1HB   ASP  40          1HB       ASP  40 -23.356   7.940  -5.224
  712   2HB   ASP  40          2HB       ASP  40 -24.629   9.015  -5.794
  713    H    ASP  41           H        ASP  41 -22.391  11.892  -5.959
  714    HA   ASP  41           HA       ASP  41 -24.652  13.624  -5.235
  715   1HB   ASP  41          1HB       ASP  41 -21.872  14.102  -5.393
  716   2HB   ASP  41          2HB       ASP  41 -22.607  14.997  -6.719

  No H/Q in entry =         716
  Start of MODEL   26
    1    H1   ALA   1           H1       ALA   1 -34.683   6.807   3.763
    2    H2   ALA   1           H2       ALA   1 -33.633   7.885   2.937
    3    H3   ALA   1           H3       ALA   1 -34.919   7.122   2.094
    4    HA   ALA   1           HA       ALA   1 -33.869   5.208   1.886
    5   1HB   ALA   1          1HB       ALA   1 -31.300   6.581   2.418
    6   2HB   ALA   1          2HB       ALA   1 -32.373   7.307   1.222
    7   3HB   ALA   1          3HB       ALA   1 -31.820   5.645   1.015
    8    H    LEU   2           H        LEU   2 -33.711   3.464   3.115
    9    HA   LEU   2           HA       LEU   2 -32.134   3.620   5.595
   10   1HB   LEU   2          1HB       LEU   2 -33.812   1.935   6.524
   11   2HB   LEU   2          2HB       LEU   2 -34.320   3.610   6.417
   12    HG   LEU   2           HG       LEU   2 -34.988   1.764   4.168
   13   1HD1  LEU   2          1HD1      LEU   2 -35.849   1.405   6.905
   14   2HD1  LEU   2          2HD1      LEU   2 -37.208   1.736   5.831
   15   3HD1  LEU   2          3HD1      LEU   2 -36.123   0.386   5.491
   16   1HD2  LEU   2          1HD2      LEU   2 -35.427   4.390   4.560
   17   2HD2  LEU   2          2HD2      LEU   2 -36.485   3.354   3.602
   18   3HD2  LEU   2          3HD2      LEU   2 -36.893   3.722   5.277
   19    H    LYS   3           H        LYS   3 -30.359   2.506   4.998
   20    HA   LYS   3           HA       LYS   3 -30.751  -0.293   4.217
   21   1HB   LYS   3          1HB       LYS   3 -29.769   1.712   2.488
   22   2HB   LYS   3          2HB       LYS   3 -28.380   0.743   2.960
   23   1HG   LYS   3          1HG       LYS   3 -29.226  -0.228   0.990
   24   2HG   LYS   3          2HG       LYS   3 -29.722  -1.288   2.310
   25   1HD   LYS   3          1HD       LYS   3 -31.571  -0.982   0.787
   26   2HD   LYS   3          2HD       LYS   3 -31.934  -0.185   2.319
   27   1HE   LYS   3          1HE       LYS   3 -30.616   1.707   0.690
   28   2HE   LYS   3          2HE       LYS   3 -31.837   0.925  -0.314
   29   1HZ   LYS   3          1HZ       LYS   3 -33.129   1.396   2.032
   30   2HZ   LYS   3          2HZ       LYS   3 -32.169   2.777   1.846
   31   3HZ   LYS   3          3HZ       LYS   3 -33.257   2.333   0.630
   32    H    LYS   4           H        LYS   4 -27.859   1.738   4.554
   33    HA   LYS   4           HA       LYS   4 -26.089   1.657   5.981
   34   1HB   LYS   4          1HB       LYS   4 -28.347   0.939   7.590
   35   2HB   LYS   4          2HB       LYS   4 -26.964  -0.027   8.085
   36   1HG   LYS   4          1HG       LYS   4 -25.650   2.063   8.315
   37   2HG   LYS   4          2HG       LYS   4 -27.118   2.976   7.956
   38   1HD   LYS   4          1HD       LYS   4 -28.199   1.824   9.904
   39   2HD   LYS   4          2HD       LYS   4 -26.617   1.152  10.304
   40   1HE   LYS   4          1HE       LYS   4 -27.132   4.104  10.016
   41   2HE   LYS   4          2HE       LYS   4 -27.275   3.247  11.550
   42   1HZ   LYS   4          1HZ       LYS   4 -24.807   2.652  10.276
   43   2HZ   LYS   4          2HZ       LYS   4 -24.987   4.323  10.465
   44   3HZ   LYS   4          3HZ       LYS   4 -25.088   3.303  11.812
   45    H    HIS   5           H        HIS   5 -26.985  -0.718   4.122
   46    HA   HIS   5           HA       HIS   5 -25.360  -2.835   5.303
   47   1HB   HIS   5          1HB       HIS   5 -26.272  -4.296   3.670
   48   2HB   HIS   5          2HB       HIS   5 -27.609  -3.291   4.210
   49    HD1  HIS   5           HD1      HIS   5 -26.679  -4.763   1.281
   50    HD2  HIS   5           HD2      HIS   5 -27.429  -0.788   2.230
   51    HE1  HIS   5           HE1      HIS   5 -27.236  -3.645  -0.901
   52    HE2  HIS   5           HE2      HIS   5 -27.687  -1.238  -0.304
   53    H    HIS   6           H        HIS   6 -25.377  -0.557   2.645
   54    HA   HIS   6           HA       HIS   6 -23.175  -1.610   1.224
   55   1HB   HIS   6          1HB       HIS   6 -24.579   1.031   1.305
   56   2HB   HIS   6          2HB       HIS   6 -23.024   0.922   0.486
   57    HD1  HIS   6           HD1      HIS   6 -24.766  -2.204   0.079
   58    HD2  HIS   6           HD2      HIS   6 -24.868   1.514  -1.773
   59    HE1  HIS   6           HE1      HIS   6 -25.885  -2.589  -2.140
   60    HE2  HIS   6           HE2      HIS   6 -25.937  -0.326  -3.245
   61    H    GLU   7           H        GLU   7 -23.448   0.327   4.084
   62    HA   GLU   7           HA       GLU   7 -20.799   1.376   4.062
   63   1HB   GLU   7          1HB       GLU   7 -23.110   1.670   5.656
   64   2HB   GLU   7          2HB       GLU   7 -21.842   1.092   6.729
   65   1HG   GLU   7          1HG       GLU   7 -21.346   3.380   4.870
   66   2HG   GLU   7          2HG       GLU   7 -22.160   3.625   6.415
   67    H    ASN   8           H        ASN   8 -22.322  -1.480   5.468
   68    HA   ASN   8           HA       ASN   8 -20.125  -2.361   6.989
   69   1HB   ASN   8          1HB       ASN   8 -22.500  -3.770   5.789
   70   2HB   ASN   8          2HB       ASN   8 -21.258  -4.660   6.664
   71   2HD2  ASN   8          2HD2      ASN   8 -24.123  -2.989   6.924
   72   1HD2  ASN   8          1HD2      ASN   8 -24.143  -2.754   8.636
   73    H    GLU   9           H        GLU   9 -21.147  -3.102   3.670
   74    HA   GLU   9           HA       GLU   9 -19.119  -4.946   3.080
   75   1HB   GLU   9          1HB       GLU   9 -20.923  -3.205   1.462
   76   2HB   GLU   9          2HB       GLU   9 -19.547  -3.943   0.652
   77   1HG   GLU   9          1HG       GLU   9 -21.038  -5.589   0.291
   78   2HG   GLU   9          2HG       GLU   9 -20.505  -6.101   1.892
   79    H    ILE  10           H        ILE  10 -19.247  -1.422   2.546
   80    HA   ILE  10           HA       ILE  10 -16.585  -1.333   1.531
   81    HB   ILE  10           HB       ILE  10 -16.737   1.098   1.758
   82   1HG1  ILE  10          1HG1      ILE  10 -19.354   0.483   3.139
   83   2HG1  ILE  10          2HG1      ILE  10 -17.968   1.333   3.816
   84   1HG2  ILE  10          1HG2      ILE  10 -17.801  -0.243  -0.125
   85   2HG2  ILE  10          2HG2      ILE  10 -19.344   0.092   0.663
   86   3HG2  ILE  10          3HG2      ILE  10 -18.344   1.423   0.082
   87   1HD1  ILE  10          1HD1      ILE  10 -18.851   2.642   1.421
   88   2HD1  ILE  10          2HD1      ILE  10 -20.196   2.440   2.546
   89   3HD1  ILE  10          3HD1      ILE  10 -18.731   3.270   3.067
   90    H    SER  11           H        SER  11 -17.854  -1.703   4.656
   91    HA   SER  11           HA       SER  11 -15.822  -0.357   6.123
   92   1HB   SER  11          1HB       SER  11 -16.826  -1.227   8.016
   93   2HB   SER  11          2HB       SER  11 -18.169  -1.368   6.882
   94    HG   SER  11           HG       SER  11 -18.049  -3.358   7.694
   95    H    HIS  12           H        HIS  12 -16.311  -3.630   4.896
   96    HA   HIS  12           HA       HIS  12 -13.910  -4.694   6.001
   97   1HB   HIS  12          1HB       HIS  12 -15.013  -6.563   5.429
   98   2HB   HIS  12          2HB       HIS  12 -16.147  -5.644   4.457
   99    HD1  HIS  12           HD1      HIS  12 -12.744  -7.301   4.106
  100    HD2  HIS  12           HD2      HIS  12 -16.011  -6.175   1.798
  101    HE1  HIS  12           HE1      HIS  12 -12.292  -8.221   1.809
  102    HE2  HIS  12           HE2      HIS  12 -14.283  -7.529   0.427
  103    H    HIS  13           H        HIS  13 -14.787  -3.362   2.824
  104    HA   HIS  13           HA       HIS  13 -12.318  -3.789   1.554
  105   1HB   HIS  13          1HB       HIS  13 -14.197  -1.473   1.071
  106   2HB   HIS  13          2HB       HIS  13 -13.005  -2.115  -0.050
  107    HD1  HIS  13           HD1      HIS  13 -13.883  -5.167   0.563
  108    HD2  HIS  13           HD2      HIS  13 -16.298  -2.012  -0.640
  109    HE1  HIS  13           HE1      HIS  13 -15.882  -6.235  -0.533
  110    HE2  HIS  13           HE2      HIS  13 -17.335  -4.305  -1.256
  111    H    ALA  14           H        ALA  14 -13.372  -1.428   3.866
  112    HA   ALA  14           HA       ALA  14 -11.345   0.502   3.417
  113   1HB   ALA  14          1HB       ALA  14 -12.055   0.628   6.127
  114   2HB   ALA  14          2HB       ALA  14 -13.509   0.109   5.274
  115   3HB   ALA  14          3HB       ALA  14 -12.697   1.602   4.805
  116    H    LYS  15           H        LYS  15 -11.668  -2.193   5.701
  117    HA   LYS  15           HA       LYS  15  -9.106  -1.828   6.875
  118   1HB   LYS  15          1HB       LYS  15 -11.051  -4.125   6.800
  119   2HB   LYS  15          2HB       LYS  15  -9.475  -4.288   7.563
  120   1HG   LYS  15          1HG       LYS  15 -10.072  -3.073   9.353
  121   2HG   LYS  15          2HG       LYS  15 -11.015  -1.931   8.394
  122   1HD   LYS  15          1HD       LYS  15 -12.778  -2.925   9.380
  123   2HD   LYS  15          2HD       LYS  15 -12.524  -4.172   8.157
  124   1HE   LYS  15          1HE       LYS  15 -10.758  -4.758  10.262
  125   2HE   LYS  15          2HE       LYS  15 -12.300  -4.351  11.012
  126   1HZ   LYS  15          1HZ       LYS  15 -12.826  -6.001   8.825
  127   2HZ   LYS  15          2HZ       LYS  15 -11.570  -6.721   9.700
  128   3HZ   LYS  15          3HZ       LYS  15 -13.033  -6.351  10.467
  129    H    GLU  16           H        GLU  16 -10.140  -3.106   3.874
  130    HA   GLU  16           HA       GLU  16  -7.955  -4.910   3.470
  131   1HB   GLU  16          1HB       GLU  16  -9.982  -3.726   1.572
  132   2HB   GLU  16          2HB       GLU  16  -8.771  -4.908   1.094
  133   1HG   GLU  16          1HG       GLU  16 -10.603  -5.511   3.367
  134   2HG   GLU  16          2HG       GLU  16 -11.179  -5.668   1.708
  135    H    ILE  17           H        ILE  17  -8.743  -1.631   2.266
  136    HA   ILE  17           HA       ILE  17  -6.277  -1.408   0.816
  137    HB   ILE  17           HB       ILE  17  -8.201  -0.118   0.098
  138   1HG1  ILE  17          1HG1      ILE  17  -5.909   1.548   1.147
  139   2HG1  ILE  17          2HG1      ILE  17  -6.082   0.855  -0.463
  140   1HG2  ILE  17          1HG2      ILE  17  -8.491   0.417   2.861
  141   2HG2  ILE  17          2HG2      ILE  17  -8.300   1.961   2.030
  142   3HG2  ILE  17          3HG2      ILE  17  -9.576   0.848   1.538
  143   1HD1  ILE  17          1HD1      ILE  17  -8.184   2.346  -0.614
  144   2HD1  ILE  17          2HD1      ILE  17  -7.456   3.216   0.735
  145   3HD1  ILE  17          3HD1      ILE  17  -6.591   3.079  -0.795
  146    H    GLU  18           H        GLU  18  -7.328  -0.712   4.056
  147    HA   GLU  18           HA       GLU  18  -5.068   0.950   4.705
  148   1HB   GLU  18          1HB       GLU  18  -7.497   0.763   5.803
  149   2HB   GLU  18          2HB       GLU  18  -6.658  -0.384   6.838
  150   1HG   GLU  18          1HG       GLU  18  -5.221   2.127   6.462
  151   2HG   GLU  18          2HG       GLU  18  -6.796   2.311   7.233
  152    H    ARG  19           H        ARG  19  -5.945  -2.422   4.921
  153    HA   ARG  19           HA       ARG  19  -3.844  -3.211   6.670
  154   1HB   ARG  19          1HB       ARG  19  -5.820  -4.600   6.402
  155   2HB   ARG  19          2HB       ARG  19  -5.482  -4.804   4.689
  156   1HG   ARG  19          1HG       ARG  19  -3.236  -5.812   5.530
  157   2HG   ARG  19          2HG       ARG  19  -4.117  -6.018   7.045
  158   1HD   ARG  19          1HD       ARG  19  -5.909  -7.181   5.712
  159   2HD   ARG  19          2HD       ARG  19  -4.802  -7.153   4.341
  160    HE   ARG  19           HE       ARG  19  -3.583  -8.300   6.640
  161   1HH1  ARG  19          1HH1      ARG  19  -5.825  -8.958   4.060
  162   2HH1  ARG  19          2HH1      ARG  19  -5.542 -10.667   4.074
  163   1HH2  ARG  19          1HH2      ARG  19  -3.201 -10.549   6.670
  164   2HH2  ARG  19          2HH2      ARG  19  -4.051 -11.572   5.559
  165    H    LEU  20           H        LEU  20  -4.241  -3.218   3.135
  166    HA   LEU  20           HA       LEU  20  -1.726  -4.390   2.583
  167   1HB   LEU  20          1HB       LEU  20  -3.278  -2.514   0.802
  168   2HB   LEU  20          2HB       LEU  20  -2.086  -3.701   0.308
  169    HG   LEU  20           HG       LEU  20  -4.496  -4.690   1.742
  170   1HD1  LEU  20          1HD1      LEU  20  -5.381  -3.058   0.118
  171   2HD1  LEU  20          2HD1      LEU  20  -4.535  -3.916  -1.170
  172   3HD1  LEU  20          3HD1      LEU  20  -5.822  -4.720  -0.272
  173   1HD2  LEU  20          1HD2      LEU  20  -2.416  -5.687  -0.070
  174   2HD2  LEU  20          2HD2      LEU  20  -3.322  -6.522   1.193
  175   3HD2  LEU  20          3HD2      LEU  20  -4.039  -6.292  -0.401
  176    H    GLN  21           H        GLN  21  -2.834  -1.074   2.986
  177    HA   GLN  21           HA       GLN  21  -0.495   0.230   2.131
  178   1HB   GLN  21          1HB       GLN  21  -2.543   1.471   2.396
  179   2HB   GLN  21          2HB       GLN  21  -2.625   1.063   4.104
  180   1HG   GLN  21          1HG       GLN  21  -0.508   2.341   4.431
  181   2HG   GLN  21          2HG       GLN  21  -0.637   2.868   2.753
  182   2HE2  GLN  21          2HE2      GLN  21  -3.012   2.500   5.363
  183   1HE2  GLN  21          1HE2      GLN  21  -3.596   4.123   5.292
  184    H    LYS  22           H        LYS  22  -1.413  -1.211   5.193
  185    HA   LYS  22           HA       LYS  22   0.647  -0.113   6.775
  186   1HB   LYS  22          1HB       LYS  22  -1.364  -1.260   7.680
  187   2HB   LYS  22          2HB       LYS  22  -0.724  -2.790   7.097
  188   1HG   LYS  22          1HG       LYS  22   1.365  -1.917   8.564
  189   2HG   LYS  22          2HG       LYS  22   0.019  -1.203   9.454
  190   1HD   LYS  22          1HD       LYS  22   0.343  -4.117   8.741
  191   2HD   LYS  22          2HD       LYS  22   0.561  -3.404  10.341
  192   1HE   LYS  22          1HE       LYS  22  -1.877  -2.563  10.003
  193   2HE   LYS  22          2HE       LYS  22  -1.956  -3.830   8.780
  194   1HZ   LYS  22          1HZ       LYS  22  -1.303  -5.438  10.481
  195   2HZ   LYS  22          2HZ       LYS  22  -1.283  -4.213  11.648
  196   3HZ   LYS  22          3HZ       LYS  22  -2.737  -4.644  10.899
  197    H    GLU  23           H        GLU  23   0.407  -3.225   5.064
  198    HA   GLU  23           HA       GLU  23   2.924  -4.224   5.723
  199   1HB   GLU  23          1HB       GLU  23   1.020  -5.429   4.549
  200   2HB   GLU  23          2HB       GLU  23   1.563  -4.657   3.065
  201   1HG   GLU  23          1HG       GLU  23   2.611  -6.689   2.939
  202   2HG   GLU  23          2HG       GLU  23   3.863  -5.695   3.681
  203    H    ILE  24           H        ILE  24   1.945  -2.124   3.043
  204    HA   ILE  24           HA       ILE  24   4.469  -2.070   1.775
  205    HB   ILE  24           HB       ILE  24   3.620  -0.554   0.296
  206   1HG1  ILE  24          1HG1      ILE  24   1.562   0.979   1.234
  207   2HG1  ILE  24          2HG1      ILE  24   2.568   0.836   2.674
  208   1HG2  ILE  24          1HG2      ILE  24   1.820  -2.434   1.130
  209   2HG2  ILE  24          2HG2      ILE  24   0.864  -0.953   1.134
  210   3HG2  ILE  24          3HG2      ILE  24   1.696  -1.461  -0.332
  211   1HD1  ILE  24          1HD1      ILE  24   4.217   1.408   0.414
  212   2HD1  ILE  24          2HD1      ILE  24   2.896   2.576   0.503
  213   3HD1  ILE  24          3HD1      ILE  24   3.969   2.351   1.885
  214    H    GLU  25           H        GLU  25   3.105  -0.365   4.470
  215    HA   GLU  25           HA       GLU  25   4.888   1.793   4.638
  216   1HB   GLU  25          1HB       GLU  25   2.726   1.376   5.964
  217   2HB   GLU  25          2HB       GLU  25   3.715   0.393   7.034
  218   1HG   GLU  25          1HG       GLU  25   5.212   2.566   7.068
  219   2HG   GLU  25          2HG       GLU  25   3.683   3.333   6.639
  220    H    ARG  26           H        ARG  26   5.009  -1.460   6.049
  221    HA   ARG  26           HA       ARG  26   7.401  -1.164   7.471
  222   1HB   ARG  26          1HB       ARG  26   5.995  -3.088   7.842
  223   2HB   ARG  26          2HB       ARG  26   6.175  -3.601   6.170
  224   1HG   ARG  26          1HG       ARG  26   8.654  -3.830   6.664
  225   2HG   ARG  26          2HG       ARG  26   8.219  -3.662   8.366
  226   1HD   ARG  26          1HD       ARG  26   6.793  -5.606   8.236
  227   2HD   ARG  26          2HD       ARG  26   7.075  -5.736   6.500
  228    HE   ARG  26           HE       ARG  26   9.525  -5.837   7.916
  229   1HH1  ARG  26          1HH1      ARG  26   6.700  -7.734   7.176
  230   2HH1  ARG  26          2HH1      ARG  26   7.522  -9.253   7.322
  231   1HH2  ARG  26          1HH2      ARG  26  10.617  -7.831   8.112
  232   2HH2  ARG  26          2HH2      ARG  26   9.749  -9.307   7.856
  233    H    HIS  27           H        HIS  27   6.797  -2.240   4.140
  234    HA   HIS  27           HA       HIS  27   9.516  -2.704   3.500
  235   1HB   HIS  27          1HB       HIS  27   6.974  -2.822   2.158
  236   2HB   HIS  27          2HB       HIS  27   8.149  -2.004   1.132
  237    HD1  HIS  27           HD1      HIS  27  10.567  -3.450   1.048
  238    HD2  HIS  27           HD2      HIS  27   7.031  -5.494   1.815
  239    HE1  HIS  27           HE1      HIS  27  11.051  -5.858   0.506
  240    HE2  HIS  27           HE2      HIS  27   8.897  -7.077   0.978
  241    H    LYS  28           H        LYS  28   7.638   0.176   3.768
  242    HA   LYS  28           HA       LYS  28   9.352   1.740   2.067
  243   1HB   LYS  28          1HB       LYS  28   7.855   3.455   2.310
  244   2HB   LYS  28          2HB       LYS  28   6.807   2.097   2.669
  245   1HG   LYS  28          1HG       LYS  28   6.243   3.171   4.527
  246   2HG   LYS  28          2HG       LYS  28   7.856   2.815   5.139
  247   1HD   LYS  28          1HD       LYS  28   8.634   4.927   4.019
  248   2HD   LYS  28          2HD       LYS  28   6.937   5.296   3.703
  249   1HE   LYS  28          1HE       LYS  28   7.605   4.577   6.483
  250   2HE   LYS  28          2HE       LYS  28   8.272   6.103   5.904
  251   1HZ   LYS  28          1HZ       LYS  28   5.531   5.800   5.176
  252   2HZ   LYS  28          2HZ       LYS  28   5.738   5.690   6.852
  253   3HZ   LYS  28          3HZ       LYS  28   6.285   7.058   6.020
  254    H    GLN  29           H        GLN  29   9.211   0.858   5.395
  255    HA   GLN  29           HA       GLN  29  10.878   2.966   6.370
  256   1HB   GLN  29          1HB       GLN  29   9.381   1.803   7.890
  257   2HB   GLN  29          2HB       GLN  29  10.172   0.271   7.546
  258   1HG   GLN  29          1HG       GLN  29  12.298   1.488   8.424
  259   2HG   GLN  29          2HG       GLN  29  11.131   2.572   9.178
  260   2HE2  GLN  29          2HE2      GLN  29  11.170   2.058  11.259
  261   1HE2  GLN  29          1HE2      GLN  29  10.952   0.472  11.907
  262    H    SER  30           H        SER  30  11.384  -0.392   5.373
  263    HA   SER  30           HA       SER  30  14.146  -0.478   5.994
  264   1HB   SER  30          1HB       SER  30  13.979  -2.338   4.073
  265   2HB   SER  30          2HB       SER  30  13.364  -2.612   5.704
  266    HG   SER  30           HG       SER  30  11.830  -3.157   4.087
  267    H    ILE  31           H        ILE  31  12.410   0.104   2.940
  268    HA   ILE  31           HA       ILE  31  14.747   0.555   1.396
  269    HB   ILE  31           HB       ILE  31  12.664  -0.065   0.333
  270   1HG1  ILE  31          1HG1      ILE  31  12.489   1.896  -1.336
  271   2HG1  ILE  31          2HG1      ILE  31  13.790   2.628  -0.399
  272   1HG2  ILE  31          1HG2      ILE  31  11.312   1.364   2.034
  273   2HG2  ILE  31          2HG2      ILE  31  11.516   2.648   0.849
  274   3HG2  ILE  31          3HG2      ILE  31  10.696   1.155   0.398
  275   1HD1  ILE  31          1HD1      ILE  31  15.022   0.417  -0.784
  276   2HD1  ILE  31          2HD1      ILE  31  13.815   0.138  -2.040
  277   3HD1  ILE  31          3HD1      ILE  31  14.875   1.546  -2.131
  278    H    LYS  32           H        LYS  32  12.827   2.573   3.468
  279    HA   LYS  32           HA       LYS  32  13.858   5.055   2.441
  280   1HB   LYS  32          1HB       LYS  32  11.660   5.065   3.423
  281   2HB   LYS  32          2HB       LYS  32  12.273   4.384   4.923
  282   1HG   LYS  32          1HG       LYS  32  13.522   6.420   5.363
  283   2HG   LYS  32          2HG       LYS  32  12.968   7.104   3.834
  284   1HD   LYS  32          1HD       LYS  32  11.047   6.180   5.950
  285   2HD   LYS  32          2HD       LYS  32  11.731   7.807   5.958
  286   1HE   LYS  32          1HE       LYS  32  10.912   7.689   3.412
  287   2HE   LYS  32          2HE       LYS  32   9.748   6.579   4.133
  288   1HZ   LYS  32          1HZ       LYS  32   9.988   8.882   5.743
  289   2HZ   LYS  32          2HZ       LYS  32   9.675   9.352   4.148
  290   3HZ   LYS  32          3HZ       LYS  32   8.622   8.289   4.937
  291    H    LYS  33           H        LYS  33  14.878   2.695   4.727
  292    HA   LYS  33           HA       LYS  33  16.575   4.478   6.224
  293   1HB   LYS  33          1HB       LYS  33  15.449   2.067   6.789
  294   2HB   LYS  33          2HB       LYS  33  17.088   1.579   6.378
  295   1HG   LYS  33          1HG       LYS  33  18.020   2.850   8.117
  296   2HG   LYS  33          2HG       LYS  33  16.530   3.765   8.355
  297   1HD   LYS  33          1HD       LYS  33  16.287   0.848   8.671
  298   2HD   LYS  33          2HD       LYS  33  17.285   1.659   9.879
  299   1HE   LYS  33          1HE       LYS  33  15.524   2.939  10.664
  300   2HE   LYS  33          2HE       LYS  33  14.603   2.768   9.171
  301   1HZ   LYS  33          1HZ       LYS  33  14.731   0.233   9.987
  302   2HZ   LYS  33          2HZ       LYS  33  14.716   1.026  11.482
  303   3HZ   LYS  33          3HZ       LYS  33  13.461   1.280  10.378
  304    H    LEU  34           H        LEU  34  16.968   2.113   3.620
  305    HA   LEU  34           HA       LEU  34  19.839   2.391   3.622
  306   1HB   LEU  34          1HB       LEU  34  17.893   0.967   1.824
  307   2HB   LEU  34          2HB       LEU  34  19.607   1.045   1.465
  308    HG   LEU  34           HG       LEU  34  18.669  -0.013   4.109
  309   1HD1  LEU  34          1HD1      LEU  34  17.428  -1.215   2.344
  310   2HD1  LEU  34          2HD1      LEU  34  18.966  -1.644   1.592
  311   3HD1  LEU  34          3HD1      LEU  34  18.575  -2.244   3.203
  312   1HD2  LEU  34          1HD2      LEU  34  21.067   0.518   3.691
  313   2HD2  LEU  34          2HD2      LEU  34  20.762  -1.176   4.079
  314   3HD2  LEU  34          3HD2      LEU  34  21.062  -0.694   2.410
  315    H    LYS  35           H        LYS  35  17.126   3.849   2.026
  316    HA   LYS  35           HA       LYS  35  18.768   5.077  -0.026
  317   1HB   LYS  35          1HB       LYS  35  16.743   5.970  -0.913
  318   2HB   LYS  35          2HB       LYS  35  16.400   4.315  -0.428
  319   1HG   LYS  35          1HG       LYS  35  14.622   5.163   0.606
  320   2HG   LYS  35          2HG       LYS  35  15.762   5.743   1.824
  321   1HD   LYS  35          1HD       LYS  35  15.755   7.899   0.994
  322   2HD   LYS  35          2HD       LYS  35  15.246   7.387  -0.616
  323   1HE   LYS  35          1HE       LYS  35  13.104   6.612   0.802
  324   2HE   LYS  35          2HE       LYS  35  13.638   7.965   1.797
  325   1HZ   LYS  35          1HZ       LYS  35  13.179   8.154  -1.128
  326   2HZ   LYS  35          2HZ       LYS  35  12.018   8.562   0.033
  327   3HZ   LYS  35          3HZ       LYS  35  13.469   9.428  -0.053
  328    H    GLN  36           H        GLN  36  17.499   5.826   3.105
  329    HA   GLN  36           HA       GLN  36  17.958   8.678   2.827
  330   1HB   GLN  36          1HB       GLN  36  16.072   7.964   4.174
  331   2HB   GLN  36          2HB       GLN  36  17.123   6.992   5.194
  332   1HG   GLN  36          1HG       GLN  36  17.321   8.721   6.552
  333   2HG   GLN  36          2HG       GLN  36  18.176   9.581   5.273
  334   2HE2  GLN  36          2HE2      GLN  36  15.351   9.393   7.150
  335   1HE2  GLN  36          1HE2      GLN  36  14.483  10.688   6.405
  336    H    SER  37           H        SER  37  19.604   5.863   3.995
  337    HA   SER  37           HA       SER  37  21.569   7.377   5.491
  338   1HB   SER  37          1HB       SER  37  20.757   5.041   6.113
  339   2HB   SER  37          2HB       SER  37  21.720   4.451   4.758
  340    HG   SER  37           HG       SER  37  23.539   4.988   5.789
  341    H    GLU  38           H        GLU  38  21.233   5.898   2.344
  342    HA   GLU  38           HA       GLU  38  24.038   6.263   1.699
  343   1HB   GLU  38          1HB       GLU  38  22.188   4.473   0.835
  344   2HB   GLU  38          2HB       GLU  38  22.129   5.651  -0.470
  345   1HG   GLU  38          1HG       GLU  38  24.837   4.898   0.337
  346   2HG   GLU  38          2HG       GLU  38  23.873   3.568  -0.303
  347    H    ASP  39           H        ASP  39  21.037   7.941   1.326
  348    HA   ASP  39           HA       ASP  39  22.194   9.789  -0.627
  349   1HB   ASP  39          1HB       ASP  39  19.924   8.928  -1.061
  350   2HB   ASP  39          2HB       ASP  39  19.373   9.629   0.457
  351    H    ASP  40           H        ASP  40  21.396   9.532   2.723
  352    HA   ASP  40           HA       ASP  40  21.580  10.958   4.485
  353   1HB   ASP  40          1HB       ASP  40  23.547  12.190   2.557
  354   2HB   ASP  40          2HB       ASP  40  23.320  12.802   4.193
  355    H    ASP  41           H        ASP  41  19.664  11.931   4.814
  356    HA   ASP  41           HA       ASP  41  19.341  14.665   4.202
  357   1HB   ASP  41          1HB       ASP  41  18.843  13.722   1.950
  358   2HB   ASP  41          2HB       ASP  41  17.509  12.817   2.659
  359    H1   ALA   1           H1       ALA   1  34.684   6.808  -3.760
  360    H2   ALA   1           H2       ALA   1  33.633   7.886  -2.935
  361    H3   ALA   1           H3       ALA   1  34.919   7.124  -2.092
  362    HA   ALA   1           HA       ALA   1  33.869   5.209  -1.885
  363   1HB   ALA   1          1HB       ALA   1  31.300   6.583  -2.414
  364   2HB   ALA   1          2HB       ALA   1  32.374   7.310  -1.219
  365   3HB   ALA   1          3HB       ALA   1  31.821   5.647  -1.013
  366    H    LEU   2           H        LEU   2  33.709   3.467  -3.114
  367    HA   LEU   2           HA       LEU   2  32.132   3.625  -5.594
  368   1HB   LEU   2          1HB       LEU   2  33.811   1.939  -6.523
  369   2HB   LEU   2          2HB       LEU   2  34.318   3.614  -6.417
  370    HG   LEU   2           HG       LEU   2  34.987   1.768  -4.167
  371   1HD1  LEU   2          1HD1      LEU   2  35.846   1.408  -6.904
  372   2HD1  LEU   2          2HD1      LEU   2  37.205   1.739  -5.829
  373   3HD1  LEU   2          3HD1      LEU   2  36.121   0.390  -5.491
  374   1HD2  LEU   2          1HD2      LEU   2  35.425   4.394  -4.558
  375   2HD2  LEU   2          2HD2      LEU   2  36.484   3.358  -3.601
  376   3HD2  LEU   2          3HD2      LEU   2  36.891   3.727  -5.277
  377    H    LYS   3           H        LYS   3  30.356   2.512  -4.992
  378    HA   LYS   3           HA       LYS   3  30.748  -0.287  -4.213
  379   1HB   LYS   3          1HB       LYS   3  29.764   1.718  -2.487
  380   2HB   LYS   3          2HB       LYS   3  28.376   0.747  -2.959
  381   1HG   LYS   3          1HG       LYS   3  29.226  -0.219  -0.986
  382   2HG   LYS   3          2HG       LYS   3  29.717  -1.282  -2.306
  383   1HD   LYS   3          1HD       LYS   3  31.570  -0.978  -0.789
  384   2HD   LYS   3          2HD       LYS   3  31.930  -0.177  -2.321
  385   1HE   LYS   3          1HE       LYS   3  30.617   1.713  -0.687
  386   2HE   LYS   3          2HE       LYS   3  31.836   0.928   0.316
  387   1HZ   LYS   3          1HZ       LYS   3  33.128   1.400  -2.033
  388   2HZ   LYS   3          2HZ       LYS   3  32.172   2.783  -1.838
  389   3HZ   LYS   3          3HZ       LYS   3  33.261   2.331  -0.627
  390    H    LYS   4           H        LYS   4  27.855   1.742  -4.553
  391    HA   LYS   4           HA       LYS   4  26.088   1.661  -5.981
  392   1HB   LYS   4          1HB       LYS   4  28.345   0.942  -7.588
  393   2HB   LYS   4          2HB       LYS   4  26.962  -0.022  -8.084
  394   1HG   LYS   4          1HG       LYS   4  25.650   2.069  -8.314
  395   2HG   LYS   4          2HG       LYS   4  27.118   2.980  -7.955
  396   1HD   LYS   4          1HD       LYS   4  28.199   1.828  -9.902
  397   2HD   LYS   4          2HD       LYS   4  26.618   1.157 -10.303
  398   1HE   LYS   4          1HE       LYS   4  27.133   4.109 -10.015
  399   2HE   LYS   4          2HE       LYS   4  27.275   3.251 -11.549
  400   1HZ   LYS   4          1HZ       LYS   4  24.807   2.658 -10.274
  401   2HZ   LYS   4          2HZ       LYS   4  24.988   4.328 -10.463
  402   3HZ   LYS   4          3HZ       LYS   4  25.088   3.310 -11.810
  403    H    HIS   5           H        HIS   5  26.984  -0.715  -4.123
  404    HA   HIS   5           HA       HIS   5  25.359  -2.831  -5.305
  405   1HB   HIS   5          1HB       HIS   5  26.269  -4.295  -3.673
  406   2HB   HIS   5          2HB       HIS   5  27.607  -3.288  -4.212
  407    HD1  HIS   5           HD1      HIS   5  26.679  -4.762  -1.283
  408    HD2  HIS   5           HD2      HIS   5  27.427  -0.786  -2.229
  409    HE1  HIS   5           HE1      HIS   5  27.234  -3.646   0.899
  410    HE2  HIS   5           HE2      HIS   5  27.685  -1.239   0.304
  411    H    HIS   6           H        HIS   6  25.377  -0.555  -2.646
  412    HA   HIS   6           HA       HIS   6  23.175  -1.606  -1.223
  413   1HB   HIS   6          1HB       HIS   6  24.578   1.036  -1.305
  414   2HB   HIS   6          2HB       HIS   6  23.024   0.925  -0.486
  415    HD1  HIS   6           HD1      HIS   6  24.769  -2.199  -0.082
  416    HD2  HIS   6           HD2      HIS   6  24.866   1.518   1.774
  417    HE1  HIS   6           HE1      HIS   6  25.889  -2.584   2.138
  418    HE2  HIS   6           HE2      HIS   6  25.938  -0.321   3.244
  419    H    GLU   7           H        GLU   7  23.448   0.333  -4.082
  420    HA   GLU   7           HA       GLU   7  20.800   1.381  -4.062
  421   1HB   GLU   7          1HB       GLU   7  23.110   1.672  -5.656
  422   2HB   GLU   7          2HB       GLU   7  21.842   1.095  -6.730
  423   1HG   GLU   7          1HG       GLU   7  21.348   3.385  -4.871
  424   2HG   GLU   7          2HG       GLU   7  22.162   3.628  -6.417
  425    H    ASN   8           H        ASN   8  22.321  -1.478  -5.464
  426    HA   ASN   8           HA       ASN   8  20.125  -2.357  -6.986
  427   1HB   ASN   8          1HB       ASN   8  22.498  -3.769  -5.784
  428   2HB   ASN   8          2HB       ASN   8  21.256  -4.658  -6.661
  429   2HD2  ASN   8          2HD2      ASN   8  24.120  -2.985  -6.916
  430   1HD2  ASN   8          1HD2      ASN   8  24.144  -2.752  -8.627
  431    H    GLU   9           H        GLU   9  21.144  -3.097  -3.666
  432    HA   GLU   9           HA       GLU   9  19.115  -4.939  -3.074
  433   1HB   GLU   9          1HB       GLU   9  20.920  -3.198  -1.459
  434   2HB   GLU   9          2HB       GLU   9  19.542  -3.930  -0.649
  435   1HG   GLU   9          1HG       GLU   9  21.031  -5.576  -0.279
  436   2HG   GLU   9          2HG       GLU   9  20.494  -6.094  -1.878
  437    H    ILE  10           H        ILE  10  19.244  -1.416  -2.550
  438    HA   ILE  10           HA       ILE  10  16.583  -1.323  -1.534
  439    HB   ILE  10           HB       ILE  10  16.739   1.109  -1.765
  440   1HG1  ILE  10          1HG1      ILE  10  19.357   0.488  -3.139
  441   2HG1  ILE  10          2HG1      ILE  10  17.974   1.338  -3.822
  442   1HG2  ILE  10          1HG2      ILE  10  17.798  -0.235   0.119
  443   2HG2  ILE  10          2HG2      ILE  10  19.341   0.100  -0.666
  444   3HG2  ILE  10          3HG2      ILE  10  18.340   1.431  -0.085
  445   1HD1  ILE  10          1HD1      ILE  10  18.848   2.651  -1.427
  446   2HD1  ILE  10          2HD1      ILE  10  20.199   2.443  -2.544
  447   3HD1  ILE  10          3HD1      ILE  10  18.737   3.276  -3.076
  448    H    SER  11           H        SER  11  17.851  -1.698  -4.658
  449    HA   SER  11           HA       SER  11  15.816  -0.354  -6.126
  450   1HB   SER  11          1HB       SER  11  16.823  -1.221  -8.019
  451   2HB   SER  11          2HB       SER  11  18.166  -1.353  -6.886
  452    HG   SER  11           HG       SER  11  18.057  -3.345  -7.697
  453    H    HIS  12           H        HIS  12  16.313  -3.624  -4.897
  454    HA   HIS  12           HA       HIS  12  13.920  -4.696  -6.010
  455   1HB   HIS  12          1HB       HIS  12  15.025  -6.563  -5.436
  456   2HB   HIS  12          2HB       HIS  12  16.155  -5.641  -4.462
  457    HD1  HIS  12           HD1      HIS  12  12.754  -7.301  -4.113
  458    HD2  HIS  12           HD2      HIS  12  16.022  -6.179  -1.806
  459    HE1  HIS  12           HE1      HIS  12  12.306  -8.228  -1.818
  460    HE2  HIS  12           HE2      HIS  12  14.299  -7.539  -0.437
  461    H    HIS  13           H        HIS  13  14.782  -3.390  -2.815
  462    HA   HIS  13           HA       HIS  13  12.304  -3.816  -1.567
  463   1HB   HIS  13          1HB       HIS  13  14.171  -1.496  -1.057
  464   2HB   HIS  13          2HB       HIS  13  12.977  -2.155   0.052
  465    HD1  HIS  13           HD1      HIS  13  13.880  -5.197  -0.565
  466    HD2  HIS  13           HD2      HIS  13  16.267  -2.026   0.649
  467    HE1  HIS  13           HE1      HIS  13  15.886  -6.252   0.529
  468    HE2  HIS  13           HE2      HIS  13  17.323  -4.313   1.258
  469    H    ALA  14           H        ALA  14  13.377  -1.440  -3.857
  470    HA   ALA  14           HA       ALA  14  11.356   0.492  -3.414
  471   1HB   ALA  14          1HB       ALA  14  13.518   0.091  -5.271
  472   2HB   ALA  14          2HB       ALA  14  12.711   1.588  -4.805
  473   3HB   ALA  14          3HB       ALA  14  12.066   0.612  -6.126
  474    H    LYS  15           H        LYS  15  11.669  -2.196  -5.709
  475    HA   LYS  15           HA       LYS  15   9.106  -1.824  -6.877
  476   1HB   LYS  15          1HB       LYS  15  11.044  -4.127  -6.807
  477   2HB   LYS  15          2HB       LYS  15   9.467  -4.284  -7.570
  478   1HG   LYS  15          1HG       LYS  15  10.070  -3.074  -9.359
  479   2HG   LYS  15          2HG       LYS  15  11.010  -1.930  -8.399
  480   1HD   LYS  15          1HD       LYS  15  12.776  -2.924  -9.379
  481   2HD   LYS  15          2HD       LYS  15  12.519  -4.171  -8.159
  482   1HE   LYS  15          1HE       LYS  15  10.760  -4.757 -10.268
  483   2HE   LYS  15          2HE       LYS  15  12.304  -4.348 -11.015
  484   1HZ   LYS  15          1HZ       LYS  15  12.828  -5.998  -8.829
  485   2HZ   LYS  15          2HZ       LYS  15  11.572  -6.719  -9.703
  486   3HZ   LYS  15          3HZ       LYS  15  13.034  -6.350 -10.471
  487    H    GLU  16           H        GLU  16  10.140  -3.103  -3.877
  488    HA   GLU  16           HA       GLU  16   7.951  -4.906  -3.472
  489   1HB   GLU  16          1HB       GLU  16   9.976  -3.724  -1.571
  490   2HB   GLU  16          2HB       GLU  16   8.767  -4.907  -1.098
  491   1HG   GLU  16          1HG       GLU  16  10.603  -5.504  -3.368
  492   2HG   GLU  16          2HG       GLU  16  11.176  -5.664  -1.708
  493    H    ILE  17           H        ILE  17   8.741  -1.625  -2.271
  494    HA   ILE  17           HA       ILE  17   6.275  -1.403  -0.821
  495    HB   ILE  17           HB       ILE  17   8.199  -0.118  -0.100
  496   1HG1  ILE  17          1HG1      ILE  17   5.910   1.554  -1.146
  497   2HG1  ILE  17          2HG1      ILE  17   6.079   0.855   0.461
  498   1HG2  ILE  17          1HG2      ILE  17   8.486   0.427  -2.863
  499   2HG2  ILE  17          2HG2      ILE  17   8.303   1.967  -2.024
  500   3HG2  ILE  17          3HG2      ILE  17   9.575   0.846  -1.541
  501   1HD1  ILE  17          1HD1      ILE  17   8.176   2.339   0.636
  502   2HD1  ILE  17          2HD1      ILE  17   7.476   3.212  -0.727
  503   3HD1  ILE  17          3HD1      ILE  17   6.586   3.085   0.790
  504    H    GLU  18           H        GLU  18   7.327  -0.709  -4.058
  505    HA   GLU  18           HA       GLU  18   5.069   0.957  -4.709
  506   1HB   GLU  18          1HB       GLU  18   7.499   0.765  -5.805
  507   2HB   GLU  18          2HB       GLU  18   6.659  -0.381  -6.841
  508   1HG   GLU  18          1HG       GLU  18   5.226   2.134  -6.466
  509   2HG   GLU  18          2HG       GLU  18   6.802   2.313  -7.238
  510    H    ARG  19           H        ARG  19   5.945  -2.416  -4.927
  511    HA   ARG  19           HA       ARG  19   3.842  -3.203  -6.673
  512   1HB   ARG  19          1HB       ARG  19   5.815  -4.595  -6.415
  513   2HB   ARG  19          2HB       ARG  19   5.488  -4.796  -4.699
  514   1HG   ARG  19          1HG       ARG  19   3.237  -5.806  -5.527
  515   2HG   ARG  19          2HG       ARG  19   4.110  -6.014  -7.045
  516   1HD   ARG  19          1HD       ARG  19   5.910  -7.173  -5.718
  517   2HD   ARG  19          2HD       ARG  19   4.804  -7.149  -4.344
  518    HE   ARG  19           HE       ARG  19   3.584  -8.294  -6.644
  519   1HH1  ARG  19          1HH1      ARG  19   5.826  -8.952  -4.063
  520   2HH1  ARG  19          2HH1      ARG  19   5.545 -10.660  -4.078
  521   1HH2  ARG  19          1HH2      ARG  19   3.205 -10.544  -6.673
  522   2HH2  ARG  19          2HH2      ARG  19   4.054 -11.567  -5.563
  523    H    LEU  20           H        LEU  20   4.244  -3.218  -3.139
  524    HA   LEU  20           HA       LEU  20   1.730  -4.392  -2.586
  525   1HB   LEU  20          1HB       LEU  20   3.284  -2.517  -0.805
  526   2HB   LEU  20          2HB       LEU  20   2.092  -3.704  -0.309
  527    HG   LEU  20           HG       LEU  20   4.500  -4.692  -1.748
  528   1HD1  LEU  20          1HD1      LEU  20   5.388  -3.063  -0.123
  529   2HD1  LEU  20          2HD1      LEU  20   4.542  -3.919   1.165
  530   3HD1  LEU  20          3HD1      LEU  20   5.828  -4.725   0.267
  531   1HD2  LEU  20          1HD2      LEU  20   2.421  -5.691   0.064
  532   2HD2  LEU  20          2HD2      LEU  20   3.326  -6.525  -1.198
  533   3HD2  LEU  20          3HD2      LEU  20   4.044  -6.296   0.396
  534    H    GLN  21           H        GLN  21   2.837  -1.076  -2.987
  535    HA   GLN  21           HA       GLN  21   0.498   0.228  -2.129
  536   1HB   GLN  21          1HB       GLN  21   2.548   1.467  -2.394
  537   2HB   GLN  21          2HB       GLN  21   2.629   1.062  -4.103
  538   1HG   GLN  21          1HG       GLN  21   0.512   2.342  -4.426
  539   2HG   GLN  21          2HG       GLN  21   0.643   2.867  -2.747
  540   2HE2  GLN  21          2HE2      GLN  21   3.013   2.499  -5.362
  541   1HE2  GLN  21          1HE2      GLN  21   3.600   4.122  -5.290
  542    H    LYS  22           H        LYS  22   1.415  -1.208  -5.195
  543    HA   LYS  22           HA       LYS  22  -0.644  -0.106  -6.775
  544   1HB   LYS  22          1HB       LYS  22   1.364  -1.249  -7.687
  545   2HB   LYS  22          2HB       LYS  22   0.729  -2.782  -7.102
  546   1HG   LYS  22          1HG       LYS  22  -1.365  -1.912  -8.565
  547   2HG   LYS  22          2HG       LYS  22  -0.021  -1.198  -9.458
  548   1HD   LYS  22          1HD       LYS  22  -0.344  -4.112  -8.744
  549   2HD   LYS  22          2HD       LYS  22  -0.559  -3.399 -10.343
  550   1HE   LYS  22          1HE       LYS  22   1.878  -2.558 -10.000
  551   2HE   LYS  22          2HE       LYS  22   1.953  -3.828  -8.778
  552   1HZ   LYS  22          1HZ       LYS  22   1.305  -5.432 -10.482
  553   2HZ   LYS  22          2HZ       LYS  22   1.286  -4.206 -11.648
  554   3HZ   LYS  22          3HZ       LYS  22   2.739  -4.638 -10.899
  555    H    GLU  23           H        GLU  23  -0.406  -3.217  -5.065
  556    HA   GLU  23           HA       GLU  23  -2.925  -4.214  -5.728
  557   1HB   GLU  23          1HB       GLU  23  -1.021  -5.423  -4.557
  558   2HB   GLU  23          2HB       GLU  23  -1.561  -4.653  -3.072
  559   1HG   GLU  23          1HG       GLU  23  -2.612  -6.681  -2.944
  560   2HG   GLU  23          2HG       GLU  23  -3.864  -5.688  -3.688
  561    H    ILE  24           H        ILE  24  -1.941  -2.121  -3.044
  562    HA   ILE  24           HA       ILE  24  -4.463  -2.066  -1.774
  563    HB   ILE  24           HB       ILE  24  -3.611  -0.557  -0.292
  564   1HG1  ILE  24          1HG1      ILE  24  -1.558   0.983  -1.226
  565   2HG1  ILE  24          2HG1      ILE  24  -2.560   0.842  -2.667
  566   1HG2  ILE  24          1HG2      ILE  24  -1.812  -2.433  -1.131
  567   2HG2  ILE  24          2HG2      ILE  24  -0.857  -0.952  -1.139
  568   3HG2  ILE  24          3HG2      ILE  24  -1.682  -1.459   0.331
  569   1HD1  ILE  24          1HD1      ILE  24  -4.218   1.404  -0.412
  570   2HD1  ILE  24          2HD1      ILE  24  -2.897   2.573  -0.489
  571   3HD1  ILE  24          3HD1      ILE  24  -3.963   2.354  -1.878
  572    H    GLU  25           H        GLU  25  -3.110  -0.369  -4.476
  573    HA   GLU  25           HA       GLU  25  -4.890   1.794  -4.632
  574   1HB   GLU  25          1HB       GLU  25  -2.728   1.383  -5.959
  575   2HB   GLU  25          2HB       GLU  25  -3.717   0.399  -7.031
  576   1HG   GLU  25          1HG       GLU  25  -5.217   2.568  -7.064
  577   2HG   GLU  25          2HG       GLU  25  -3.691   3.338  -6.633
  578    H    ARG  26           H        ARG  26  -5.006  -1.451  -6.066
  579    HA   ARG  26           HA       ARG  26  -7.399  -1.154  -7.482
  580   1HB   ARG  26          1HB       ARG  26  -5.998  -3.078  -7.861
  581   2HB   ARG  26          2HB       ARG  26  -6.167  -3.592  -6.188
  582   1HG   ARG  26          1HG       ARG  26  -8.652  -3.819  -6.671
  583   2HG   ARG  26          2HG       ARG  26  -8.219  -3.660  -8.375
  584   1HD   ARG  26          1HD       ARG  26  -6.788  -5.603  -8.230
  585   2HD   ARG  26          2HD       ARG  26  -7.078  -5.725  -6.496
  586    HE   ARG  26           HE       ARG  26  -9.523  -5.833  -7.917
  587   1HH1  ARG  26          1HH1      ARG  26  -6.695  -7.728  -7.175
  588   2HH1  ARG  26          2HH1      ARG  26  -7.514  -9.246  -7.324
  589   1HH2  ARG  26          1HH2      ARG  26 -10.611  -7.827  -8.116
  590   2HH2  ARG  26          2HH2      ARG  26  -9.741  -9.303  -7.860
  591    H    HIS  27           H        HIS  27  -6.797  -2.235  -4.152
  592    HA   HIS  27           HA       HIS  27  -9.515  -2.703  -3.514
  593   1HB   HIS  27          1HB       HIS  27  -6.974  -2.815  -2.169
  594   2HB   HIS  27          2HB       HIS  27  -8.151  -1.997  -1.146
  595    HD1  HIS  27           HD1      HIS  27 -10.569  -3.447  -1.065
  596    HD2  HIS  27           HD2      HIS  27  -7.026  -5.485  -1.819
  597    HE1  HIS  27           HE1      HIS  27 -11.050  -5.854  -0.521
  598    HE2  HIS  27           HE2      HIS  27  -8.892  -7.071  -0.984
  599    H    LYS  28           H        LYS  28  -7.625   0.178  -3.749
  600    HA   LYS  28           HA       LYS  28  -9.344   1.741  -2.059
  601   1HB   LYS  28          1HB       LYS  28  -7.848   3.458  -2.309
  602   2HB   LYS  28          2HB       LYS  28  -6.801   2.100  -2.672
  603   1HG   LYS  28          1HG       LYS  28  -6.245   3.175  -4.532
  604   2HG   LYS  28          2HG       LYS  28  -7.860   2.816  -5.137
  605   1HD   LYS  28          1HD       LYS  28  -8.639   4.926  -4.021
  606   2HD   LYS  28          2HD       LYS  28  -6.943   5.298  -3.700
  607   1HE   LYS  28          1HE       LYS  28  -7.606   4.583  -6.483
  608   2HE   LYS  28          2HE       LYS  28  -8.269   6.109  -5.902
  609   1HZ   LYS  28          1HZ       LYS  28  -5.531   5.797  -5.170
  610   2HZ   LYS  28          2HZ       LYS  28  -5.735   5.690  -6.846
  611   3HZ   LYS  28          3HZ       LYS  28  -6.280   7.058  -6.015
  612    H    GLN  29           H        GLN  29  -9.206   0.870  -5.392
  613    HA   GLN  29           HA       GLN  29 -10.883   2.976  -6.358
  614   1HB   GLN  29          1HB       GLN  29  -9.387   1.829  -7.887
  615   2HB   GLN  29          2HB       GLN  29 -10.159   0.288  -7.541
  616   1HG   GLN  29          1HG       GLN  29 -12.303   1.484  -8.411
  617   2HG   GLN  29          2HG       GLN  29 -11.148   2.578  -9.171
  618   2HE2  GLN  29          2HE2      GLN  29 -11.173   2.064 -11.251
  619   1HE2  GLN  29          1HE2      GLN  29 -10.949   0.477 -11.897
  620    H    SER  30           H        SER  30 -11.379  -0.383  -5.363
  621    HA   SER  30           HA       SER  30 -14.141  -0.476  -5.991
  622   1HB   SER  30          1HB       SER  30 -13.968  -2.350  -4.084
  623   2HB   SER  30          2HB       SER  30 -13.353  -2.609  -5.716
  624    HG   SER  30           HG       SER  30 -11.823  -3.157  -4.085
  625    H    ILE  31           H        ILE  31 -12.402   0.139  -2.946
  626    HA   ILE  31           HA       ILE  31 -14.755   0.551  -1.404
  627    HB   ILE  31           HB       ILE  31 -12.705  -0.087  -0.317
  628   1HG1  ILE  31          1HG1      ILE  31 -12.467   1.900   1.325
  629   2HG1  ILE  31          2HG1      ILE  31 -13.768   2.637   0.392
  630   1HG2  ILE  31          1HG2      ILE  31 -11.467   1.606  -2.074
  631   2HG2  ILE  31          2HG2      ILE  31 -11.326   2.476  -0.547
  632   3HG2  ILE  31          3HG2      ILE  31 -10.702   0.835  -0.686
  633   1HD1  ILE  31          1HD1      ILE  31 -15.034   0.458   0.818
  634   2HD1  ILE  31          2HD1      ILE  31 -13.811   0.159   2.055
  635   3HD1  ILE  31          3HD1      ILE  31 -14.841   1.588   2.159
  636    H    LYS  32           H        LYS  32 -12.832   2.572  -3.462
  637    HA   LYS  32           HA       LYS  32 -13.859   5.055  -2.430
  638   1HB   LYS  32          1HB       LYS  32 -11.659   5.066  -3.407
  639   2HB   LYS  32          2HB       LYS  32 -12.269   4.384  -4.908
  640   1HG   LYS  32          1HG       LYS  32 -13.519   6.421  -5.349
  641   2HG   LYS  32          2HG       LYS  32 -12.963   7.105  -3.820
  642   1HD   LYS  32          1HD       LYS  32 -11.044   6.175  -5.937
  643   2HD   LYS  32          2HD       LYS  32 -11.726   7.802  -5.949
  644   1HE   LYS  32          1HE       LYS  32 -10.907   7.692  -3.403
  645   2HE   LYS  32          2HE       LYS  32  -9.744   6.580  -4.123
  646   1HZ   LYS  32          1HZ       LYS  32  -9.987   8.881  -5.736
  647   2HZ   LYS  32          2HZ       LYS  32  -9.672   9.353  -4.143
  648   3HZ   LYS  32          3HZ       LYS  32  -8.620   8.290  -4.931
  649    H    LYS  33           H        LYS  33 -14.873   2.699  -4.723
  650    HA   LYS  33           HA       LYS  33 -16.568   4.484  -6.220
  651   1HB   LYS  33          1HB       LYS  33 -15.442   2.075  -6.788
  652   2HB   LYS  33          2HB       LYS  33 -17.078   1.583  -6.373
  653   1HG   LYS  33          1HG       LYS  33 -18.018   2.852  -8.109
  654   2HG   LYS  33          2HG       LYS  33 -16.530   3.770  -8.352
  655   1HD   LYS  33          1HD       LYS  33 -16.286   0.852  -8.667
  656   2HD   LYS  33          2HD       LYS  33 -17.286   1.662  -9.874
  657   1HE   LYS  33          1HE       LYS  33 -15.527   2.942 -10.663
  658   2HE   LYS  33          2HE       LYS  33 -14.602   2.774  -9.170
  659   1HZ   LYS  33          1HZ       LYS  33 -14.732   0.237  -9.987
  660   2HZ   LYS  33          2HZ       LYS  33 -14.718   1.031 -11.482
  661   3HZ   LYS  33          3HZ       LYS  33 -13.463   1.285 -10.377
  662    H    LEU  34           H        LEU  34 -16.967   2.106  -3.627
  663    HA   LEU  34           HA       LEU  34 -19.837   2.389  -3.627
  664   1HB   LEU  34          1HB       LEU  34 -17.893   0.965  -1.827
  665   2HB   LEU  34          2HB       LEU  34 -19.607   1.042  -1.472
  666    HG   LEU  34           HG       LEU  34 -18.665  -0.014  -4.115
  667   1HD1  LEU  34          1HD1      LEU  34 -17.423  -1.215  -2.350
  668   2HD1  LEU  34          2HD1      LEU  34 -18.960  -1.646  -1.598
  669   3HD1  LEU  34          3HD1      LEU  34 -18.569  -2.245  -3.210
  670   1HD2  LEU  34          1HD2      LEU  34 -21.064   0.513  -3.699
  671   2HD2  LEU  34          2HD2      LEU  34 -20.757  -1.180  -4.087
  672   3HD2  LEU  34          3HD2      LEU  34 -21.058  -0.698  -2.417
  673    H    LYS  35           H        LYS  35 -17.125   3.843  -2.020
  674    HA   LYS  35           HA       LYS  35 -18.774   5.069   0.028
  675   1HB   LYS  35          1HB       LYS  35 -16.752   5.965   0.920
  676   2HB   LYS  35          2HB       LYS  35 -16.409   4.309   0.439
  677   1HG   LYS  35          1HG       LYS  35 -14.627   5.152  -0.593
  678   2HG   LYS  35          2HG       LYS  35 -15.762   5.729  -1.814
  679   1HD   LYS  35          1HD       LYS  35 -15.756   7.888  -0.988
  680   2HD   LYS  35          2HD       LYS  35 -15.246   7.380   0.623
  681   1HE   LYS  35          1HE       LYS  35 -13.107   6.598  -0.793
  682   2HE   LYS  35          2HE       LYS  35 -13.640   7.948  -1.794
  683   1HZ   LYS  35          1HZ       LYS  35 -13.177   8.146   1.130
  684   2HZ   LYS  35          2HZ       LYS  35 -12.019   8.551  -0.033
  685   3HZ   LYS  35          3HZ       LYS  35 -13.469   9.417   0.053
  686    H    GLN  36           H        GLN  36 -17.501   5.824  -3.101
  687    HA   GLN  36           HA       GLN  36 -17.959   8.675  -2.818
  688   1HB   GLN  36          1HB       GLN  36 -16.072   7.963  -4.163
  689   2HB   GLN  36          2HB       GLN  36 -17.123   6.993  -5.186
  690   1HG   GLN  36          1HG       GLN  36 -17.320   8.725  -6.540
  691   2HG   GLN  36          2HG       GLN  36 -18.172   9.586  -5.259
  692   2HE2  GLN  36          2HE2      GLN  36 -15.353   9.395  -7.143
  693   1HE2  GLN  36          1HE2      GLN  36 -14.479  10.685  -6.396
  694    H    SER  37           H        SER  37 -19.607   5.864  -3.989
  695    HA   SER  37           HA       SER  37 -21.568   7.380  -5.487
  696   1HB   SER  37          1HB       SER  37 -20.758   5.042  -6.107
  697   2HB   SER  37          2HB       SER  37 -21.725   4.454  -4.756
  698    HG   SER  37           HG       SER  37 -23.540   4.992  -5.792
  699    H    GLU  38           H        GLU  38 -21.238   5.900  -2.341
  700    HA   GLU  38           HA       GLU  38 -24.042   6.268  -1.697
  701   1HB   GLU  38          1HB       GLU  38 -22.195   4.475  -0.832
  702   2HB   GLU  38          2HB       GLU  38 -22.135   5.654   0.472
  703   1HG   GLU  38          1HG       GLU  38 -24.843   4.910  -0.331
  704   2HG   GLU  38          2HG       GLU  38 -23.883   3.574   0.302
  705    H    ASP  39           H        ASP  39 -21.038   7.939  -1.318
  706    HA   ASP  39           HA       ASP  39 -22.190   9.790   0.632
  707   1HB   ASP  39          1HB       ASP  39 -19.920   8.925   1.062
  708   2HB   ASP  39          2HB       ASP  39 -19.371   9.627  -0.456
  709    H    ASP  40           H        ASP  40 -21.399   9.532  -2.719
  710    HA   ASP  40           HA       ASP  40 -21.581  10.960  -4.479
  711   1HB   ASP  40          1HB       ASP  40 -23.547  12.196  -2.553
  712   2HB   ASP  40          2HB       ASP  40 -23.320  12.804  -4.190
  713    H    ASP  41           H        ASP  41 -19.665  11.933  -4.809
  714    HA   ASP  41           HA       ASP  41 -19.341  14.667  -4.193
  715   1HB   ASP  41          1HB       ASP  41 -18.842  13.721  -1.943
  716   2HB   ASP  41          2HB       ASP  41 -17.508  12.817  -2.652

  No H/Q in entry =         716
  Start of MODEL   27
    1    H1   ALA   1           H1       ALA   1 -28.704   9.878   9.737
    2    H2   ALA   1           H2       ALA   1 -27.498   9.411  10.866
    3    H3   ALA   1           H3       ALA   1 -27.045  10.061   9.343
    4    HA   ALA   1           HA       ALA   1 -26.717   7.756   9.298
    5   1HB   ALA   1          1HB       ALA   1 -29.276   7.768  10.716
    6   2HB   ALA   1          2HB       ALA   1 -27.955   6.601  10.765
    7   3HB   ALA   1          3HB       ALA   1 -29.147   6.530   9.466
    8    H    LEU   2           H        LEU   2 -27.348   6.372   7.490
    9    HA   LEU   2           HA       LEU   2 -29.366   7.008   5.659
   10   1HB   LEU   2          1HB       LEU   2 -27.910   9.063   5.447
   11   2HB   LEU   2          2HB       LEU   2 -26.668   8.020   4.780
   12    HG   LEU   2           HG       LEU   2 -28.664   7.363   3.129
   13   1HD1  LEU   2          1HD1      LEU   2 -30.063   9.110   4.483
   14   2HD1  LEU   2          2HD1      LEU   2 -29.225  10.271   3.454
   15   3HD1  LEU   2          3HD1      LEU   2 -30.216   9.006   2.729
   16   1HD2  LEU   2          1HD2      LEU   2 -26.386   9.090   3.063
   17   2HD2  LEU   2          2HD2      LEU   2 -27.092   8.128   1.764
   18   3HD2  LEU   2          3HD2      LEU   2 -27.668   9.768   2.061
   19    H    LYS   3           H        LYS   3 -29.523   4.769   5.603
   20    HA   LYS   3           HA       LYS   3 -29.146   2.665   4.827
   21   1HB   LYS   3          1HB       LYS   3 -27.643   4.368   2.890
   22   2HB   LYS   3          2HB       LYS   3 -27.420   2.626   2.821
   23   1HG   LYS   3          1HG       LYS   3 -29.114   3.096   1.277
   24   2HG   LYS   3          2HG       LYS   3 -29.950   2.457   2.695
   25   1HD   LYS   3          1HD       LYS   3 -31.252   4.287   2.276
   26   2HD   LYS   3          2HD       LYS   3 -30.052   5.019   3.342
   27   1HE   LYS   3          1HE       LYS   3 -28.762   5.645   1.272
   28   2HE   LYS   3          2HE       LYS   3 -30.165   5.134   0.335
   29   1HZ   LYS   3          1HZ       LYS   3 -30.630   7.027   2.507
   30   2HZ   LYS   3          2HZ       LYS   3 -29.833   7.615   1.137
   31   3HZ   LYS   3          3HZ       LYS   3 -31.369   6.920   0.989
   32    H    LYS   4           H        LYS   4 -28.109   1.209   6.011
   33    HA   LYS   4           HA       LYS   4 -25.271   1.674   6.641
   34   1HB   LYS   4          1HB       LYS   4 -27.540   0.561   8.196
   35   2HB   LYS   4          2HB       LYS   4 -25.967  -0.184   8.446
   36   1HG   LYS   4          1HG       LYS   4 -26.559   1.665  10.032
   37   2HG   LYS   4          2HG       LYS   4 -25.017   1.849   9.193
   38   1HD   LYS   4          1HD       LYS   4 -26.206   3.297   7.524
   39   2HD   LYS   4          2HD       LYS   4 -27.620   3.239   8.579
   40   1HE   LYS   4          1HE       LYS   4 -26.741   5.074   9.519
   41   2HE   LYS   4          2HE       LYS   4 -25.658   3.943  10.331
   42   1HZ   LYS   4          1HZ       LYS   4 -24.382   4.317   8.015
   43   2HZ   LYS   4          2HZ       LYS   4 -25.104   5.833   8.208
   44   3HZ   LYS   4          3HZ       LYS   4 -24.082   5.224   9.410
   45    H    HIS   5           H        HIS   5 -26.621   0.244   4.289
   46    HA   HIS   5           HA       HIS   5 -25.623  -2.472   4.653
   47   1HB   HIS   5          1HB       HIS   5 -26.794  -1.432   2.093
   48   2HB   HIS   5          2HB       HIS   5 -26.836  -3.066   2.747
   49    HD1  HIS   5           HD1      HIS   5 -27.840  -1.694   5.620
   50    HD2  HIS   5           HD2      HIS   5 -29.642  -1.633   1.876
   51    HE1  HIS   5           HE1      HIS   5 -30.278  -1.262   6.056
   52    HE2  HIS   5           HE2      HIS   5 -31.351  -1.228   3.776
   53    H    HIS   6           H        HIS   6 -25.302   0.049   2.150
   54    HA   HIS   6           HA       HIS   6 -23.049  -1.051   0.908
   55   1HB   HIS   6          1HB       HIS   6 -24.152   1.751   1.018
   56   2HB   HIS   6          2HB       HIS   6 -22.692   1.370   0.111
   57    HD1  HIS   6           HD1      HIS   6 -24.951  -1.424  -0.118
   58    HD2  HIS   6           HD2      HIS   6 -24.549   2.234  -2.049
   59    HE1  HIS   6           HE1      HIS   6 -26.257  -1.645  -2.254
   60    HE2  HIS   6           HE2      HIS   6 -26.002   0.581  -3.408
   61    H    GLU   7           H        GLU   7 -23.374   0.735   3.844
   62    HA   GLU   7           HA       GLU   7 -20.690   1.686   3.995
   63   1HB   GLU   7          1HB       GLU   7 -22.712   2.563   5.282
   64   2HB   GLU   7          2HB       GLU   7 -22.519   1.171   6.336
   65   1HG   GLU   7          1HG       GLU   7 -21.394   2.835   7.468
   66   2HG   GLU   7          2HG       GLU   7 -20.096   1.997   6.617
   67    H    ASN   8           H        ASN   8 -22.394  -1.145   5.265
   68    HA   ASN   8           HA       ASN   8 -20.287  -2.202   6.784
   69   1HB   ASN   8          1HB       ASN   8 -22.727  -3.376   5.495
   70   2HB   ASN   8          2HB       ASN   8 -21.526  -4.444   6.215
   71   2HD2  ASN   8          2HD2      ASN   8 -24.374  -3.226   6.827
   72   1HD2  ASN   8          1HD2      ASN   8 -24.284  -2.963   8.532
   73    H    GLU   9           H        GLU   9 -21.217  -2.720   3.400
   74    HA   GLU   9           HA       GLU   9 -19.264  -4.636   2.780
   75   1HB   GLU   9          1HB       GLU   9 -21.302  -3.792   1.392
   76   2HB   GLU   9          2HB       GLU   9 -20.178  -2.584   0.784
   77   1HG   GLU   9          1HG       GLU   9 -19.747  -4.105  -0.792
   78   2HG   GLU   9          2HG       GLU   9 -18.731  -4.846   0.443
   79    H    ILE  10           H        ILE  10 -19.199  -1.090   2.381
   80    HA   ILE  10           HA       ILE  10 -16.499  -1.080   1.489
   81    HB   ILE  10           HB       ILE  10 -16.546   1.341   1.838
   82   1HG1  ILE  10          1HG1      ILE  10 -19.237   0.779   3.093
   83   2HG1  ILE  10          2HG1      ILE  10 -17.842   1.536   3.858
   84   1HG2  ILE  10          1HG2      ILE  10 -17.564   0.188  -0.163
   85   2HG2  ILE  10          2HG2      ILE  10 -19.135   0.469   0.588
   86   3HG2  ILE  10          3HG2      ILE  10 -18.112   1.836   0.145
   87   1HD1  ILE  10          1HD1      ILE  10 -18.572   2.999   1.506
   88   2HD1  ILE  10          2HD1      ILE  10 -19.976   2.792   2.556
   89   3HD1  ILE  10          3HD1      ILE  10 -18.506   3.536   3.187
   90    H    SER  11           H        SER  11 -17.885  -1.578   4.534
   91    HA   SER  11           HA       SER  11 -15.851  -0.394   6.141
   92   1HB   SER  11          1HB       SER  11 -18.310  -1.584   6.640
   93   2HB   SER  11          2HB       SER  11 -17.159  -2.743   7.302
   94    HG   SER  11           HG       SER  11 -17.992  -0.646   8.505
   95    H    HIS  12           H        HIS  12 -16.460  -3.586   4.752
   96    HA   HIS  12           HA       HIS  12 -14.140  -4.786   5.904
   97   1HB   HIS  12          1HB       HIS  12 -15.199  -6.643   5.246
   98   2HB   HIS  12          2HB       HIS  12 -16.415  -5.655   4.459
   99    HD1  HIS  12           HD1      HIS  12 -12.926  -6.894   3.521
  100    HD2  HIS  12           HD2      HIS  12 -16.723  -6.420   1.904
  101    HE1  HIS  12           HE1      HIS  12 -12.775  -7.793   1.176
  102    HE2  HIS  12           HE2      HIS  12 -15.086  -7.500   0.216
  103    H    HIS  13           H        HIS  13 -14.852  -3.213   2.813
  104    HA   HIS  13           HA       HIS  13 -12.373  -3.819   1.576
  105   1HB   HIS  13          1HB       HIS  13 -13.947  -1.320   1.006
  106   2HB   HIS  13          2HB       HIS  13 -12.955  -2.265  -0.096
  107    HD1  HIS  13           HD1      HIS  13 -14.385  -5.026   0.804
  108    HD2  HIS  13           HD2      HIS  13 -16.181  -1.561  -0.603
  109    HE1  HIS  13           HE1      HIS  13 -16.598  -5.760  -0.143
  110    HE2  HIS  13           HE2      HIS  13 -17.674  -3.644  -0.992
  111    H    ALA  14           H        ALA  14 -13.381  -1.445   3.892
  112    HA   ALA  14           HA       ALA  14 -11.249   0.389   3.533
  113   1HB   ALA  14          1HB       ALA  14 -13.018  -0.144   5.918
  114   2HB   ALA  14          2HB       ALA  14 -11.879   1.197   5.802
  115   3HB   ALA  14          3HB       ALA  14 -13.241   1.096   4.684
  116    H    LYS  15           H        LYS  15 -11.787  -2.280   5.814
  117    HA   LYS  15           HA       LYS  15  -9.252  -2.047   7.071
  118   1HB   LYS  15          1HB       LYS  15 -11.352  -4.190   6.960
  119   2HB   LYS  15          2HB       LYS  15  -9.795  -4.512   7.713
  120   1HG   LYS  15          1HG       LYS  15 -10.142  -2.792   9.332
  121   2HG   LYS  15          2HG       LYS  15 -11.597  -2.237   8.503
  122   1HD   LYS  15          1HD       LYS  15 -12.782  -4.216   9.076
  123   2HD   LYS  15          2HD       LYS  15 -11.309  -5.013   9.634
  124   1HE   LYS  15          1HE       LYS  15 -12.377  -2.506  10.905
  125   2HE   LYS  15          2HE       LYS  15 -12.874  -4.116  11.422
  126   1HZ   LYS  15          1HZ       LYS  15 -10.147  -4.234  11.359
  127   2HZ   LYS  15          2HZ       LYS  15 -10.461  -2.696  11.987
  128   3HZ   LYS  15          3HZ       LYS  15 -11.105  -4.063  12.744
  129    H    GLU  16           H        GLU  16 -10.283  -3.388   4.075
  130    HA   GLU  16           HA       GLU  16  -8.134  -5.257   3.776
  131   1HB   GLU  16          1HB       GLU  16 -10.161  -4.121   1.857
  132   2HB   GLU  16          2HB       GLU  16  -8.915  -5.256   1.355
  133   1HG   GLU  16          1HG       GLU  16 -10.413  -6.142   3.692
  134   2HG   GLU  16          2HG       GLU  16 -11.411  -5.911   2.256
  135    H    ILE  17           H        ILE  17  -8.772  -1.956   2.609
  136    HA   ILE  17           HA       ILE  17  -6.315  -1.857   1.107
  137    HB   ILE  17           HB       ILE  17  -8.245  -0.538   0.400
  138   1HG1  ILE  17          1HG1      ILE  17  -5.822   0.215   0.034
  139   2HG1  ILE  17          2HG1      ILE  17  -7.084   1.417  -0.205
  140   1HG2  ILE  17          1HG2      ILE  17  -8.261   0.254   3.170
  141   2HG2  ILE  17          2HG2      ILE  17  -8.277   1.662   2.108
  142   3HG2  ILE  17          3HG2      ILE  17  -9.518   0.421   1.944
  143   1HD1  ILE  17          1HD1      ILE  17  -6.266   1.559   2.500
  144   2HD1  ILE  17          2HD1      ILE  17  -4.820   1.530   1.492
  145   3HD1  ILE  17          3HD1      ILE  17  -6.060   2.754   1.220
  146    H    GLU  18           H        GLU  18  -7.323  -1.144   4.342
  147    HA   GLU  18           HA       GLU  18  -5.035   0.488   4.972
  148   1HB   GLU  18          1HB       GLU  18  -7.106   0.874   6.174
  149   2HB   GLU  18          2HB       GLU  18  -7.137  -0.796   6.726
  150   1HG   GLU  18          1HG       GLU  18  -5.730  -0.394   8.413
  151   2HG   GLU  18          2HG       GLU  18  -4.697   0.647   7.434
  152    H    ARG  19           H        ARG  19  -5.969  -2.872   5.204
  153    HA   ARG  19           HA       ARG  19  -3.814  -3.668   6.903
  154   1HB   ARG  19          1HB       ARG  19  -5.979  -4.929   6.584
  155   2HB   ARG  19          2HB       ARG  19  -5.386  -5.410   5.001
  156   1HG   ARG  19          1HG       ARG  19  -4.125  -7.025   5.859
  157   2HG   ARG  19          2HG       ARG  19  -3.460  -5.956   7.096
  158   1HD   ARG  19          1HD       ARG  19  -4.582  -7.528   8.364
  159   2HD   ARG  19          2HD       ARG  19  -5.779  -6.241   8.224
  160    HE   ARG  19           HE       ARG  19  -7.094  -7.636   6.959
  161   1HH1  ARG  19          1HH1      ARG  19  -3.910  -9.008   7.283
  162   2HH1  ARG  19          2HH1      ARG  19  -4.358 -10.537   6.603
  163   1HH2  ARG  19          1HH2      ARG  19  -7.695  -9.646   6.063
  164   2HH2  ARG  19          2HH2      ARG  19  -6.510 -10.900   5.908
  165    H    LEU  20           H        LEU  20  -4.418  -3.845   3.399
  166    HA   LEU  20           HA       LEU  20  -1.937  -5.040   2.759
  167   1HB   LEU  20          1HB       LEU  20  -4.036  -3.559   1.226
  168   2HB   LEU  20          2HB       LEU  20  -2.488  -3.867   0.467
  169    HG   LEU  20           HG       LEU  20  -4.348  -5.532  -0.004
  170   1HD1  LEU  20          1HD1      LEU  20  -1.678  -5.811   0.009
  171   2HD1  LEU  20          2HD1      LEU  20  -2.120  -7.072   1.161
  172   3HD1  LEU  20          3HD1      LEU  20  -2.790  -7.093  -0.471
  173   1HD2  LEU  20          1HD2      LEU  20  -3.776  -6.177   2.877
  174   2HD2  LEU  20          2HD2      LEU  20  -5.332  -5.842   2.118
  175   3HD2  LEU  20          3HD2      LEU  20  -4.482  -7.345   1.761
  176    H    GLN  21           H        GLN  21  -3.029  -1.715   3.097
  177    HA   GLN  21           HA       GLN  21  -0.752  -0.435   2.052
  178   1HB   GLN  21          1HB       GLN  21  -2.796   0.802   2.403
  179   2HB   GLN  21          2HB       GLN  21  -2.753   0.467   4.128
  180   1HG   GLN  21          1HG       GLN  21  -0.398   1.846   3.019
  181   2HG   GLN  21          2HG       GLN  21  -1.907   2.760   3.034
  182   2HE2  GLN  21          2HE2      GLN  21  -3.130   2.155   5.268
  183   1HE2  GLN  21          1HE2      GLN  21  -2.165   2.502   6.659
  184    H    LYS  22           H        LYS  22  -1.504  -1.747   5.216
  185    HA   LYS  22           HA       LYS  22   0.617  -0.610   6.664
  186   1HB   LYS  22          1HB       LYS  22  -1.202  -1.682   7.825
  187   2HB   LYS  22          2HB       LYS  22  -0.864  -3.217   7.037
  188   1HG   LYS  22          1HG       LYS  22   1.411  -3.108   8.187
  189   2HG   LYS  22          2HG       LYS  22   0.707  -1.829   9.179
  190   1HD   LYS  22          1HD       LYS  22   0.475  -3.920  10.340
  191   2HD   LYS  22          2HD       LYS  22  -1.120  -3.397   9.799
  192   1HE   LYS  22          1HE       LYS  22  -1.348  -5.128   8.371
  193   2HE   LYS  22          2HE       LYS  22   0.354  -5.109   7.915
  194   1HZ   LYS  22          1HZ       LYS  22   0.674  -6.026  10.306
  195   2HZ   LYS  22          2HZ       LYS  22  -0.949  -6.480  10.165
  196   3HZ   LYS  22          3HZ       LYS  22   0.193  -7.071   9.066
  197    H    GLU  23           H        GLU  23   0.364  -3.765   5.029
  198    HA   GLU  23           HA       GLU  23   2.941  -4.681   5.583
  199   1HB   GLU  23          1HB       GLU  23   0.779  -5.642   4.190
  200   2HB   GLU  23          2HB       GLU  23   1.956  -5.384   2.910
  201   1HG   GLU  23          1HG       GLU  23   3.412  -6.955   3.742
  202   2HG   GLU  23          2HG       GLU  23   2.777  -6.829   5.382
  203    H    ILE  24           H        ILE  24   1.759  -2.719   2.879
  204    HA   ILE  24           HA       ILE  24   4.210  -2.605   1.487
  205    HB   ILE  24           HB       ILE  24   3.223  -1.202  -0.001
  206   1HG1  ILE  24          1HG1      ILE  24   1.297   0.445   0.930
  207   2HG1  ILE  24          2HG1      ILE  24   2.295   0.313   2.375
  208   1HG2  ILE  24          1HG2      ILE  24   1.501  -3.030   0.975
  209   2HG2  ILE  24          2HG2      ILE  24   0.552  -1.554   1.149
  210   3HG2  ILE  24          3HG2      ILE  24   1.186  -2.012  -0.428
  211   1HD1  ILE  24          1HD1      ILE  24   3.972   0.741   0.106
  212   2HD1  ILE  24          2HD1      ILE  24   2.694   1.959   0.138
  213   3HD1  ILE  24          3HD1      ILE  24   3.749   1.749   1.537
  214    H    GLU  25           H        GLU  25   2.959  -0.899   4.230
  215    HA   GLU  25           HA       GLU  25   4.756   1.289   4.221
  216   1HB   GLU  25          1HB       GLU  25   2.610   0.384   5.822
  217   2HB   GLU  25          2HB       GLU  25   3.996   0.541   6.892
  218   1HG   GLU  25          1HG       GLU  25   4.310   2.852   6.102
  219   2HG   GLU  25          2HG       GLU  25   2.864   2.683   5.107
  220    H    ARG  26           H        ARG  26   4.890  -1.973   5.522
  221    HA   ARG  26           HA       ARG  26   7.194  -1.670   7.114
  222   1HB   ARG  26          1HB       ARG  26   5.444  -3.699   6.675
  223   2HB   ARG  26          2HB       ARG  26   6.823  -4.266   5.743
  224   1HG   ARG  26          1HG       ARG  26   7.645  -3.303   8.336
  225   2HG   ARG  26          2HG       ARG  26   6.410  -4.557   8.473
  226   1HD   ARG  26          1HD       ARG  26   7.749  -6.002   6.995
  227   2HD   ARG  26          2HD       ARG  26   8.995  -4.757   6.932
  228    HE   ARG  26           HE       ARG  26   8.314  -5.615   9.596
  229   1HH1  ARG  26          1HH1      ARG  26  10.322  -6.186   6.810
  230   2HH1  ARG  26          2HH1      ARG  26  11.559  -7.003   7.706
  231   1HH2  ARG  26          1HH2      ARG  26   9.936  -6.689  10.788
  232   2HH2  ARG  26          2HH2      ARG  26  11.338  -7.290   9.968
  233    H    HIS  27           H        HIS  27   6.809  -2.910   3.791
  234    HA   HIS  27           HA       HIS  27   9.584  -3.125   3.280
  235   1HB   HIS  27          1HB       HIS  27   7.153  -3.609   1.867
  236   2HB   HIS  27          2HB       HIS  27   8.182  -2.608   0.849
  237    HD1  HIS  27           HD1      HIS  27  10.688  -3.617   0.480
  238    HD2  HIS  27           HD2      HIS  27   7.768  -6.254   1.818
  239    HE1  HIS  27           HE1      HIS  27  11.593  -5.916   0.010
  240    HE2  HIS  27           HE2      HIS  27   9.810  -7.497   0.828
  241    H    LYS  28           H        LYS  28   7.381  -0.475   3.308
  242    HA   LYS  28           HA       LYS  28   8.940   1.266   1.654
  243   1HB   LYS  28          1HB       LYS  28   6.427   1.405   2.052
  244   2HB   LYS  28          2HB       LYS  28   6.817   2.099   3.619
  245   1HG   LYS  28          1HG       LYS  28   8.265   3.740   2.159
  246   2HG   LYS  28          2HG       LYS  28   7.127   3.254   0.901
  247   1HD   LYS  28          1HD       LYS  28   6.474   4.501   3.568
  248   2HD   LYS  28          2HD       LYS  28   6.293   5.237   1.974
  249   1HE   LYS  28          1HE       LYS  28   4.637   3.501   1.397
  250   2HE   LYS  28          2HE       LYS  28   4.785   2.847   3.027
  251   1HZ   LYS  28          1HZ       LYS  28   4.137   5.168   3.786
  252   2HZ   LYS  28          2HZ       LYS  28   3.650   5.444   2.189
  253   3HZ   LYS  28          3HZ       LYS  28   2.919   4.219   3.096
  254    H    GLN  29           H        GLN  29   8.876   0.393   4.992
  255    HA   GLN  29           HA       GLN  29  10.237   2.719   5.960
  256   1HB   GLN  29          1HB       GLN  29   8.850   1.437   7.478
  257   2HB   GLN  29          2HB       GLN  29   9.804  -0.012   7.184
  258   1HG   GLN  29          1HG       GLN  29  11.777   1.329   8.109
  259   2HG   GLN  29          2HG       GLN  29  10.557   2.450   8.712
  260   2HE2  GLN  29          2HE2      GLN  29  12.286   1.084  10.388
  261   1HE2  GLN  29          1HE2      GLN  29  11.381  -0.042  11.335
  262    H    SER  30           H        SER  30  11.167  -0.575   5.065
  263    HA   SER  30           HA       SER  30  13.897  -0.321   5.772
  264   1HB   SER  30          1HB       SER  30  12.458  -2.179   3.873
  265   2HB   SER  30          2HB       SER  30  14.186  -2.300   4.205
  266    HG   SER  30           HG       SER  30  13.043  -3.669   5.583
  267    H    ILE  31           H        ILE  31  12.155   0.146   2.715
  268    HA   ILE  31           HA       ILE  31  14.482   0.735   1.185
  269    HB   ILE  31           HB       ILE  31  12.484  -0.043   0.085
  270   1HG1  ILE  31          1HG1      ILE  31  12.131   1.899  -1.569
  271   2HG1  ILE  31          2HG1      ILE  31  13.335   2.759  -0.612
  272   1HG2  ILE  31          1HG2      ILE  31  11.168   1.702   1.815
  273   2HG2  ILE  31          2HG2      ILE  31  10.869   2.333   0.197
  274   3HG2  ILE  31          3HG2      ILE  31  10.445   0.667   0.585
  275   1HD1  ILE  31          1HD1      ILE  31  14.878   0.838  -1.009
  276   2HD1  ILE  31          2HD1      ILE  31  13.681   0.203  -2.137
  277   3HD1  ILE  31          3HD1      ILE  31  14.444   1.762  -2.446
  278    H    LYS  32           H        LYS  32  12.268   2.660   3.099
  279    HA   LYS  32           HA       LYS  32  13.238   5.179   2.123
  280   1HB   LYS  32          1HB       LYS  32  11.377   4.306   4.293
  281   2HB   LYS  32          2HB       LYS  32  12.026   5.939   4.342
  282   1HG   LYS  32          1HG       LYS  32  11.166   5.630   1.726
  283   2HG   LYS  32          2HG       LYS  32   9.926   4.833   2.696
  284   1HD   LYS  32          1HD       LYS  32  10.858   7.427   3.727
  285   2HD   LYS  32          2HD       LYS  32   9.993   7.493   2.190
  286   1HE   LYS  32          1HE       LYS  32   8.284   7.701   3.739
  287   2HE   LYS  32          2HE       LYS  32   8.264   5.976   3.376
  288   1HZ   LYS  32          1HZ       LYS  32   9.760   7.097   5.672
  289   2HZ   LYS  32          2HZ       LYS  32   8.145   6.610   5.795
  290   3HZ   LYS  32          3HZ       LYS  32   9.338   5.482   5.390
  291    H    LYS  33           H        LYS  33  14.289   2.892   4.456
  292    HA   LYS  33           HA       LYS  33  15.746   4.762   6.083
  293   1HB   LYS  33          1HB       LYS  33  14.874   2.687   7.045
  294   2HB   LYS  33          2HB       LYS  33  15.876   1.745   5.949
  295   1HG   LYS  33          1HG       LYS  33  17.500   3.607   7.403
  296   2HG   LYS  33          2HG       LYS  33  16.522   2.651   8.517
  297   1HD   LYS  33          1HD       LYS  33  17.310   0.652   7.023
  298   2HD   LYS  33          2HD       LYS  33  18.608   1.761   6.573
  299   1HE   LYS  33          1HE       LYS  33  18.287   1.851   9.398
  300   2HE   LYS  33          2HE       LYS  33  18.374   0.160   8.905
  301   1HZ   LYS  33          1HZ       LYS  33  20.319   1.905   7.659
  302   2HZ   LYS  33          2HZ       LYS  33  20.508   1.711   9.330
  303   3HZ   LYS  33          3HZ       LYS  33  20.513   0.358   8.314
  304    H    LEU  34           H        LEU  34  16.530   2.462   3.489
  305    HA   LEU  34           HA       LEU  34  19.344   3.074   3.646
  306   1HB   LEU  34          1HB       LEU  34  17.649   1.401   1.824
  307   2HB   LEU  34          2HB       LEU  34  19.316   1.755   1.415
  308    HG   LEU  34           HG       LEU  34  18.667   0.576   4.088
  309   1HD1  LEU  34          1HD1      LEU  34  17.520  -0.790   2.356
  310   2HD1  LEU  34          2HD1      LEU  34  19.085  -1.039   1.581
  311   3HD1  LEU  34          3HD1      LEU  34  18.801  -1.648   3.210
  312   1HD2  LEU  34          1HD2      LEU  34  21.030   0.974   2.369
  313   2HD2  LEU  34          2HD2      LEU  34  20.890   0.966   4.127
  314   3HD2  LEU  34          3HD2      LEU  34  20.954  -0.558   3.241
  315    H    LYS  35           H        LYS  35  16.579   4.286   1.971
  316    HA   LYS  35           HA       LYS  35  18.139   5.659  -0.048
  317   1HB   LYS  35          1HB       LYS  35  15.932   4.805  -0.647
  318   2HB   LYS  35          2HB       LYS  35  15.191   5.773   0.619
  319   1HG   LYS  35          1HG       LYS  35  16.500   7.679  -0.803
  320   2HG   LYS  35          2HG       LYS  35  16.064   6.532  -2.071
  321   1HD   LYS  35          1HD       LYS  35  14.106   7.603  -0.045
  322   2HD   LYS  35          2HD       LYS  35  14.369   8.335  -1.630
  323   1HE   LYS  35          1HE       LYS  35  13.620   6.365  -2.745
  324   2HE   LYS  35          2HE       LYS  35  13.597   5.450  -1.238
  325   1HZ   LYS  35          1HZ       LYS  35  11.839   7.757  -1.879
  326   2HZ   LYS  35          2HZ       LYS  35  11.375   6.130  -1.912
  327   3HZ   LYS  35          3HZ       LYS  35  11.806   6.858  -0.447
  328    H    GLN  36           H        GLN  36  16.773   6.285   3.076
  329    HA   GLN  36           HA       GLN  36  16.965   9.158   2.851
  330   1HB   GLN  36          1HB       GLN  36  16.240   7.250   5.050
  331   2HB   GLN  36          2HB       GLN  36  16.581   8.934   5.421
  332   1HG   GLN  36          1HG       GLN  36  14.792   9.670   4.008
  333   2HG   GLN  36          2HG       GLN  36  14.513   8.026   3.436
  334   2HE2  GLN  36          2HE2      GLN  36  14.191  10.223   6.120
  335   1HE2  GLN  36          1HE2      GLN  36  13.054   9.281   7.014
  336    H    SER  37           H        SER  37  18.880   6.515   4.118
  337    HA   SER  37           HA       SER  37  20.745   8.178   5.517
  338   1HB   SER  37          1HB       SER  37  20.824   5.278   4.668
  339   2HB   SER  37          2HB       SER  37  22.124   6.052   5.573
  340    HG   SER  37           HG       SER  37  20.461   4.921   6.835
  341    H    GLU  38           H        GLU  38  20.389   7.049   2.262
  342    HA   GLU  38           HA       GLU  38  23.116   7.490   1.487
  343   1HB   GLU  38          1HB       GLU  38  21.751   5.881   0.278
  344   2HB   GLU  38          2HB       GLU  38  20.606   7.140  -0.161
  345   1HG   GLU  38          1HG       GLU  38  22.791   8.227  -1.203
  346   2HG   GLU  38          2HG       GLU  38  23.284   6.535  -1.267
  347    H    ASP  39           H        ASP  39  20.231   9.406   1.691
  348    HA   ASP  39           HA       ASP  39  21.739  11.711   0.659
  349   1HB   ASP  39          1HB       ASP  39  19.729  10.625  -0.771
  350   2HB   ASP  39          2HB       ASP  39  18.801  11.717   0.251
  351    H    ASP  40           H        ASP  40  21.192  10.700   3.385
  352    HA   ASP  40           HA       ASP  40  19.206  12.176   4.683
  353   1HB   ASP  40          1HB       ASP  40  20.924  10.279   5.489
  354   2HB   ASP  40          2HB       ASP  40  21.748  11.692   6.142
  355    H    ASP  41           H        ASP  41  19.289  14.099   5.904
  356    HA   ASP  41           HA       ASP  41  21.586  15.809   5.843
  357   1HB   ASP  41          1HB       ASP  41  19.694  15.983   3.685
  358   2HB   ASP  41          2HB       ASP  41  19.643  17.466   4.634
  359    H1   ALA   1           H1       ALA   1  28.708   9.897  -9.689
  360    H2   ALA   1           H2       ALA   1  27.503   9.433 -10.819
  361    H3   ALA   1           H3       ALA   1  27.051  10.079  -9.295
  362    HA   ALA   1           HA       ALA   1  26.721   7.773  -9.258
  363   1HB   ALA   1          1HB       ALA   1  29.282   7.789 -10.674
  364   2HB   ALA   1          2HB       ALA   1  29.151   6.547  -9.430
  365   3HB   ALA   1          3HB       ALA   1  27.959   6.623 -10.728
  366    H    LEU   2           H        LEU   2  27.351   6.383  -7.455
  367    HA   LEU   2           HA       LEU   2  29.369   7.012  -5.620
  368   1HB   LEU   2          1HB       LEU   2  27.912   9.067  -5.401
  369   2HB   LEU   2          2HB       LEU   2  26.670   8.023  -4.739
  370    HG   LEU   2           HG       LEU   2  28.665   7.359  -3.088
  371   1HD1  LEU   2          1HD1      LEU   2  30.065   9.110  -4.436
  372   2HD1  LEU   2          2HD1      LEU   2  29.226  10.269  -3.405
  373   3HD1  LEU   2          3HD1      LEU   2  30.216   9.001  -2.683
  374   1HD2  LEU   2          1HD2      LEU   2  26.386   9.085  -3.018
  375   2HD2  LEU   2          2HD2      LEU   2  27.092   8.121  -1.723
  376   3HD2  LEU   2          3HD2      LEU   2  27.668   9.761  -2.014
  377    H    LYS   3           H        LYS   3  29.526   4.774  -5.572
  378    HA   LYS   3           HA       LYS   3  29.147   2.667  -4.803
  379   1HB   LYS   3          1HB       LYS   3  27.643   4.365  -2.860
  380   2HB   LYS   3          2HB       LYS   3  27.421   2.621  -2.798
  381   1HG   LYS   3          1HG       LYS   3  29.114   3.085  -1.252
  382   2HG   LYS   3          2HG       LYS   3  29.949   2.452  -2.671
  383   1HD   LYS   3          1HD       LYS   3  31.252   4.280  -2.243
  384   2HD   LYS   3          2HD       LYS   3  30.053   5.016  -3.309
  385   1HE   LYS   3          1HE       LYS   3  28.761   5.635  -1.237
  386   2HE   LYS   3          2HE       LYS   3  30.164   5.121  -0.301
  387   1HZ   LYS   3          1HZ       LYS   3  30.631   7.020  -2.466
  388   2HZ   LYS   3          2HZ       LYS   3  29.833   7.605  -1.095
  389   3HZ   LYS   3          3HZ       LYS   3  31.368   6.908  -0.949
  390    H    LYS   4           H        LYS   4  28.112   1.216  -5.993
  391    HA   LYS   4           HA       LYS   4  25.275   1.682  -6.623
  392   1HB   LYS   4          1HB       LYS   4  27.544   0.574  -8.179
  393   2HB   LYS   4          2HB       LYS   4  25.972  -0.170  -8.433
  394   1HG   LYS   4          1HG       LYS   4  26.564   1.685 -10.013
  395   2HG   LYS   4          2HG       LYS   4  25.022   1.866  -9.174
  396   1HD   LYS   4          1HD       LYS   4  26.211   3.309  -7.500
  397   2HD   LYS   4          2HD       LYS   4  27.625   3.254  -8.555
  398   1HE   LYS   4          1HE       LYS   4  26.745   5.092  -9.488
  399   2HE   LYS   4          2HE       LYS   4  25.663   3.965 -10.304
  400   1HZ   LYS   4          1HZ       LYS   4  24.386   4.329  -7.988
  401   2HZ   LYS   4          2HZ       LYS   4  25.108   5.847  -8.174
  402   3HZ   LYS   4          3HZ       LYS   4  24.087   5.242  -9.379
  403    H    HIS   5           H        HIS   5  26.627   0.242  -4.275
  404    HA   HIS   5           HA       HIS   5  25.627  -2.471  -4.650
  405   1HB   HIS   5          1HB       HIS   5  26.798  -1.439  -2.085
  406   2HB   HIS   5          2HB       HIS   5  26.839  -3.072  -2.745
  407    HD1  HIS   5           HD1      HIS   5  27.844  -1.689  -5.612
  408    HD2  HIS   5           HD2      HIS   5  29.645  -1.641  -1.868
  409    HE1  HIS   5           HE1      HIS   5  30.284  -1.256  -6.045
  410    HE2  HIS   5           HE2      HIS   5  31.355  -1.230  -3.765
  411    H    HIS   6           H        HIS   6  25.305   0.041  -2.138
  412    HA   HIS   6           HA       HIS   6  23.052  -1.063  -0.901
  413   1HB   HIS   6          1HB       HIS   6  24.155   1.738  -1.000
  414   2HB   HIS   6          2HB       HIS   6  22.693   1.355  -0.097
  415    HD1  HIS   6           HD1      HIS   6  24.950  -1.440   0.126
  416    HD2  HIS   6           HD2      HIS   6  24.547   2.211   2.069
  417    HE1  HIS   6           HE1      HIS   6  26.253  -1.669   2.265
  418    HE2  HIS   6           HE2      HIS   6  25.996   0.553   3.425
  419    H    GLU   7           H        GLU   7  23.379   0.738  -3.828
  420    HA   GLU   7           HA       GLU   7  20.696   1.691  -3.978
  421   1HB   GLU   7          1HB       GLU   7  22.718   2.574  -5.258
  422   2HB   GLU   7          2HB       GLU   7  22.529   1.184  -6.318
  423   1HG   GLU   7          1HG       GLU   7  21.405   2.851  -7.446
  424   2HG   GLU   7          2HG       GLU   7  20.106   2.007  -6.603
  425    H    ASN   8           H        ASN   8  22.397  -1.137  -5.258
  426    HA   ASN   8           HA       ASN   8  20.290  -2.183  -6.785
  427   1HB   ASN   8          1HB       ASN   8  22.729  -3.367  -5.501
  428   2HB   ASN   8          2HB       ASN   8  21.526  -4.430  -6.227
  429   2HD2  ASN   8          2HD2      ASN   8  24.376  -3.216  -6.833
  430   1HD2  ASN   8          1HD2      ASN   8  24.287  -2.943  -8.536
  431    H    GLU   9           H        GLU   9  21.222  -2.724  -3.404
  432    HA   GLU   9           HA       GLU   9  19.269  -4.639  -2.794
  433   1HB   GLU   9          1HB       GLU   9  21.305  -3.807  -1.401
  434   2HB   GLU   9          2HB       GLU   9  20.187  -2.596  -0.790
  435   1HG   GLU   9          1HG       GLU   9  19.746  -4.119   0.781
  436   2HG   GLU   9          2HG       GLU   9  18.731  -4.856  -0.458
  437    H    ILE  10           H        ILE  10  19.201  -1.094  -2.382
  438    HA   ILE  10           HA       ILE  10  16.505  -1.086  -1.481
  439    HB   ILE  10           HB       ILE  10  16.549   1.338  -1.842
  440   1HG1  ILE  10          1HG1      ILE  10  19.245   0.773  -3.083
  441   2HG1  ILE  10          2HG1      ILE  10  17.854   1.529  -3.854
  442   1HG2  ILE  10          1HG2      ILE  10  17.558   0.185   0.166
  443   2HG2  ILE  10          2HG2      ILE  10  19.133   0.469  -0.577
  444   3HG2  ILE  10          3HG2      ILE  10  18.104   1.834  -0.139
  445   1HD1  ILE  10          1HD1      ILE  10  18.564   2.998  -1.504
  446   2HD1  ILE  10          2HD1      ILE  10  19.982   2.782  -2.534
  447   3HD1  ILE  10          3HD1      ILE  10  18.523   3.528  -3.188
  448    H    SER  11           H        SER  11  17.887  -1.562  -4.537
  449    HA   SER  11           HA       SER  11  15.845  -0.386  -6.135
  450   1HB   SER  11          1HB       SER  11  18.306  -1.574  -6.638
  451   2HB   SER  11          2HB       SER  11  17.151  -2.728  -7.305
  452    HG   SER  11           HG       SER  11  17.989  -0.629  -8.499
  453    H    HIS  12           H        HIS  12  16.459  -3.581  -4.751
  454    HA   HIS  12           HA       HIS  12  14.138  -4.777  -5.907
  455   1HB   HIS  12          1HB       HIS  12  15.202  -6.635  -5.260
  456   2HB   HIS  12          2HB       HIS  12  16.416  -5.651  -4.466
  457    HD1  HIS  12           HD1      HIS  12  12.928  -6.904  -3.541
  458    HD2  HIS  12           HD2      HIS  12  16.721  -6.427  -1.914
  459    HE1  HIS  12           HE1      HIS  12  12.774  -7.814  -1.201
  460    HE2  HIS  12           HE2      HIS  12  15.082  -7.519  -0.234
  461    H    HIS  13           H        HIS  13  14.859  -3.214  -2.814
  462    HA   HIS  13           HA       HIS  13  12.384  -3.825  -1.569
  463   1HB   HIS  13          1HB       HIS  13  13.968  -1.333  -0.992
  464   2HB   HIS  13          2HB       HIS  13  12.975  -2.278   0.108
  465    HD1  HIS  13           HD1      HIS  13  14.387  -5.042  -0.797
  466    HD2  HIS  13           HD2      HIS  13  16.214  -1.589   0.602
  467    HE1  HIS  13           HE1      HIS  13  16.598  -5.791   0.142
  468    HE2  HIS  13           HE2      HIS  13  17.693  -3.682   0.984
  469    H    ALA  14           H        ALA  14  13.379  -1.455  -3.891
  470    HA   ALA  14           HA       ALA  14  11.252   0.385  -3.516
  471   1HB   ALA  14          1HB       ALA  14  13.021  -0.137  -5.903
  472   2HB   ALA  14          2HB       ALA  14  13.243   1.098  -4.664
  473   3HB   ALA  14          3HB       ALA  14  11.882   1.203  -5.781
  474    H    LYS  15           H        LYS  15  11.790  -2.270  -5.813
  475    HA   LYS  15           HA       LYS  15   9.256  -2.031  -7.070
  476   1HB   LYS  15          1HB       LYS  15  11.354  -4.175  -6.967
  477   2HB   LYS  15          2HB       LYS  15   9.798  -4.495  -7.719
  478   1HG   LYS  15          1HG       LYS  15  10.144  -2.770  -9.333
  479   2HG   LYS  15          2HG       LYS  15  11.600  -2.218  -8.502
  480   1HD   LYS  15          1HD       LYS  15  12.782  -4.196  -9.081
  481   2HD   LYS  15          2HD       LYS  15  11.309  -4.990  -9.643
  482   1HE   LYS  15          1HE       LYS  15  12.379  -2.479 -10.904
  483   2HE   LYS  15          2HE       LYS  15  12.878  -4.086 -11.427
  484   1HZ   LYS  15          1HZ       LYS  15  10.151  -4.207 -11.367
  485   2HZ   LYS  15          2HZ       LYS  15  10.465  -2.667 -11.990
  486   3HZ   LYS  15          3HZ       LYS  15  11.111  -4.032 -12.750
  487    H    GLU  16           H        GLU  16  10.288  -3.390  -4.082
  488    HA   GLU  16           HA       GLU  16   8.136  -5.258  -3.788
  489   1HB   GLU  16          1HB       GLU  16  10.161  -4.125  -1.863
  490   2HB   GLU  16          2HB       GLU  16   8.915  -5.261  -1.365
  491   1HG   GLU  16          1HG       GLU  16  10.418  -6.139  -3.702
  492   2HG   GLU  16          2HG       GLU  16  11.411  -5.915  -2.264
  493    H    ILE  17           H        ILE  17   8.781  -1.963  -2.602
  494    HA   ILE  17           HA       ILE  17   6.319  -1.862  -1.109
  495    HB   ILE  17           HB       ILE  17   8.254  -0.543  -0.404
  496   1HG1  ILE  17          1HG1      ILE  17   5.828   0.196  -0.026
  497   2HG1  ILE  17          2HG1      ILE  17   7.086   1.401   0.218
  498   1HG2  ILE  17          1HG2      ILE  17   8.247   0.266  -3.172
  499   2HG2  ILE  17          2HG2      ILE  17   8.274   1.665  -2.098
  500   3HG2  ILE  17          3HG2      ILE  17   9.515   0.419  -1.956
  501   1HD1  ILE  17          1HD1      ILE  17   6.258   1.555  -2.485
  502   2HD1  ILE  17          2HD1      ILE  17   4.817   1.521  -1.470
  503   3HD1  ILE  17          3HD1      ILE  17   6.057   2.744  -1.198
  504    H    GLU  18           H        GLU  18   7.328  -1.145  -4.341
  505    HA   GLU  18           HA       GLU  18   5.039   0.491  -4.968
  506   1HB   GLU  18          1HB       GLU  18   7.113   0.876  -6.168
  507   2HB   GLU  18          2HB       GLU  18   7.140  -0.791  -6.726
  508   1HG   GLU  18          1HG       GLU  18   5.735  -0.380  -8.411
  509   2HG   GLU  18          2HG       GLU  18   4.702   0.657  -7.429
  510    H    ARG  19           H        ARG  19   5.970  -2.870  -5.211
  511    HA   ARG  19           HA       ARG  19   3.815  -3.657  -6.912
  512   1HB   ARG  19          1HB       ARG  19   5.979  -4.921  -6.593
  513   2HB   ARG  19          2HB       ARG  19   5.382  -5.409  -5.013
  514   1HG   ARG  19          1HG       ARG  19   4.122  -7.020  -5.883
  515   2HG   ARG  19          2HG       ARG  19   3.460  -5.944  -7.116
  516   1HD   ARG  19          1HD       ARG  19   4.583  -7.512  -8.390
  517   2HD   ARG  19          2HD       ARG  19   5.780  -6.224  -8.242
  518    HE   ARG  19           HE       ARG  19   7.094  -7.625  -6.983
  519   1HH1  ARG  19          1HH1      ARG  19   3.910  -8.995  -7.312
  520   2HH1  ARG  19          2HH1      ARG  19   4.358 -10.526  -6.637
  521   1HH2  ARG  19          1HH2      ARG  19   7.696  -9.637  -6.092
  522   2HH2  ARG  19          2HH2      ARG  19   6.510 -10.891  -5.943
  523    H    LEU  20           H        LEU  20   4.415  -3.839  -3.407
  524    HA   LEU  20           HA       LEU  20   1.935  -5.036  -2.772
  525   1HB   LEU  20          1HB       LEU  20   4.032  -3.560  -1.235
  526   2HB   LEU  20          2HB       LEU  20   2.483  -3.870  -0.477
  527    HG   LEU  20           HG       LEU  20   4.344  -5.537  -0.009
  528   1HD1  LEU  20          1HD1      LEU  20   1.674  -5.816  -0.026
  529   2HD1  LEU  20          2HD1      LEU  20   2.117  -7.071  -1.183
  530   3HD1  LEU  20          3HD1      LEU  20   2.786  -7.100   0.450
  531   1HD2  LEU  20          1HD2      LEU  20   3.775  -6.172  -2.892
  532   2HD2  LEU  20          2HD2      LEU  20   5.330  -5.839  -2.130
  533   3HD2  LEU  20          3HD2      LEU  20   4.481  -7.343  -1.779
  534    H    GLN  21           H        GLN  21   3.028  -1.712  -3.101
  535    HA   GLN  21           HA       GLN  21   0.751  -0.433  -2.055
  536   1HB   GLN  21          1HB       GLN  21   2.796   0.804  -2.404
  537   2HB   GLN  21          2HB       GLN  21   2.754   0.472  -4.130
  538   1HG   GLN  21          1HG       GLN  21   0.399   1.851  -3.017
  539   2HG   GLN  21          2HG       GLN  21   1.907   2.763  -3.028
  540   2HE2  GLN  21          2HE2      GLN  21   3.132   2.164  -5.264
  541   1HE2  GLN  21          1HE2      GLN  21   2.167   2.514  -6.654
  542    H    LYS  22           H        LYS  22   1.503  -1.737  -5.222
  543    HA   LYS  22           HA       LYS  22  -0.617  -0.596  -6.667
  544   1HB   LYS  22          1HB       LYS  22   1.203  -1.665  -7.832
  545   2HB   LYS  22          2HB       LYS  22   0.865  -3.202  -7.046
  546   1HG   LYS  22          1HG       LYS  22  -1.411  -3.093  -8.196
  547   2HG   LYS  22          2HG       LYS  22  -0.708  -1.810  -9.184
  548   1HD   LYS  22          1HD       LYS  22  -0.473  -3.896 -10.353
  549   2HD   LYS  22          2HD       LYS  22   1.122  -3.372  -9.811
  550   1HE   LYS  22          1HE       LYS  22   1.350  -5.110  -8.388
  551   2HE   LYS  22          2HE       LYS  22  -0.353  -5.094  -7.933
  552   1HZ   LYS  22          1HZ       LYS  22  -0.671  -6.001 -10.328
  553   2HZ   LYS  22          2HZ       LYS  22   0.952  -6.456 -10.187
  554   3HZ   LYS  22          3HZ       LYS  22  -0.191  -7.050  -9.091
  555    H    GLU  23           H        GLU  23  -0.365  -3.757  -5.044
  556    HA   GLU  23           HA       GLU  23  -2.941  -4.670  -5.599
  557   1HB   GLU  23          1HB       GLU  23  -0.779  -5.636  -4.209
  558   2HB   GLU  23          2HB       GLU  23  -1.956  -5.382  -2.928
  559   1HG   GLU  23          1HG       GLU  23  -3.411  -6.951  -3.766
  560   2HG   GLU  23          2HG       GLU  23  -2.777  -6.820  -5.406
  561    H    ILE  24           H        ILE  24  -1.761  -2.715  -2.890
  562    HA   ILE  24           HA       ILE  24  -4.210  -2.609  -1.495
  563    HB   ILE  24           HB       ILE  24  -3.224  -1.203  -0.008
  564   1HG1  ILE  24          1HG1      ILE  24  -1.296   0.444  -0.943
  565   2HG1  ILE  24          2HG1      ILE  24  -2.303   0.313  -2.383
  566   1HG2  ILE  24          1HG2      ILE  24  -1.503  -3.029  -0.987
  567   2HG2  ILE  24          2HG2      ILE  24  -0.553  -1.553  -1.157
  568   3HG2  ILE  24          3HG2      ILE  24  -1.187  -2.013   0.419
  569   1HD1  ILE  24          1HD1      ILE  24  -3.963   0.743  -0.099
  570   2HD1  ILE  24          2HD1      ILE  24  -2.687   1.962  -0.148
  571   3HD1  ILE  24          3HD1      ILE  24  -3.755   1.746  -1.535
  572    H    GLU  25           H        GLU  25  -2.962  -0.890  -4.232
  573    HA   GLU  25           HA       GLU  25  -4.765   1.292  -4.220
  574   1HB   GLU  25          1HB       GLU  25  -2.622   0.389  -5.828
  575   2HB   GLU  25          2HB       GLU  25  -4.011   0.555  -6.893
  576   1HG   GLU  25          1HG       GLU  25  -4.314   2.863  -6.094
  577   2HG   GLU  25          2HG       GLU  25  -2.870   2.685  -5.098
  578    H    ARG  26           H        ARG  26  -4.892  -1.966  -5.532
  579    HA   ARG  26           HA       ARG  26  -7.198  -1.666  -7.119
  580   1HB   ARG  26          1HB       ARG  26  -5.445  -3.692  -6.683
  581   2HB   ARG  26          2HB       ARG  26  -6.825  -4.263  -5.758
  582   1HG   ARG  26          1HG       ARG  26  -7.637  -3.293  -8.351
  583   2HG   ARG  26          2HG       ARG  26  -6.403  -4.548  -8.485
  584   1HD   ARG  26          1HD       ARG  26  -7.751  -5.995  -7.018
  585   2HD   ARG  26          2HD       ARG  26  -8.994  -4.747  -6.953
  586    HE   ARG  26           HE       ARG  26  -8.311  -5.593  -9.619
  587   1HH1  ARG  26          1HH1      ARG  26 -10.324  -6.175  -6.838
  588   2HH1  ARG  26          2HH1      ARG  26 -11.560  -6.988  -7.741
  589   1HH2  ARG  26          1HH2      ARG  26  -9.933  -6.660 -10.818
  590   2HH2  ARG  26          2HH2      ARG  26 -11.337  -7.263 -10.003
  591    H    HIS  27           H        HIS  27  -6.809  -2.907  -3.796
  592    HA   HIS  27           HA       HIS  27  -9.586  -3.128  -3.289
  593   1HB   HIS  27          1HB       HIS  27  -7.155  -3.621  -1.878
  594   2HB   HIS  27          2HB       HIS  27  -8.185  -2.625  -0.855
  595    HD1  HIS  27           HD1      HIS  27 -10.692  -3.634  -0.494
  596    HD2  HIS  27           HD2      HIS  27  -7.772  -6.266  -1.843
  597    HE1  HIS  27           HE1      HIS  27 -11.599  -5.936  -0.038
  598    HE2  HIS  27           HE2      HIS  27  -9.815  -7.513  -0.861
  599    H    LYS  28           H        LYS  28  -7.389  -0.477  -3.318
  600    HA   LYS  28           HA       LYS  28  -8.950   1.255  -1.652
  601   1HB   LYS  28          1HB       LYS  28  -6.434   1.393  -2.036
  602   2HB   LYS  28          2HB       LYS  28  -6.814   2.092  -3.603
  603   1HG   LYS  28          1HG       LYS  28  -8.271   3.728  -2.138
  604   2HG   LYS  28          2HG       LYS  28  -7.127   3.241  -0.885
  605   1HD   LYS  28          1HD       LYS  28  -6.485   4.496  -3.551
  606   2HD   LYS  28          2HD       LYS  28  -6.300   5.229  -1.956
  607   1HE   LYS  28          1HE       LYS  28  -4.639   3.492  -1.388
  608   2HE   LYS  28          2HE       LYS  28  -4.790   2.844  -3.020
  609   1HZ   LYS  28          1HZ       LYS  28  -4.148   5.169  -3.771
  610   2HZ   LYS  28          2HZ       LYS  28  -3.660   5.442  -2.174
  611   3HZ   LYS  28          3HZ       LYS  28  -2.927   4.221  -3.086
  612    H    GLN  29           H        GLN  29  -8.888   0.383  -4.989
  613    HA   GLN  29           HA       GLN  29 -10.231   2.725  -5.953
  614   1HB   GLN  29          1HB       GLN  29  -8.845   1.446  -7.474
  615   2HB   GLN  29          2HB       GLN  29  -9.800  -0.001  -7.188
  616   1HG   GLN  29          1HG       GLN  29 -11.770   1.346  -8.112
  617   2HG   GLN  29          2HG       GLN  29 -10.547   2.467  -8.708
  618   2HE2  GLN  29          2HE2      GLN  29 -12.277   1.108 -10.391
  619   1HE2  GLN  29          1HE2      GLN  29 -11.372  -0.015 -11.342
  620    H    SER  30           H        SER  30 -11.173  -0.579  -5.096
  621    HA   SER  30           HA       SER  30 -13.901  -0.314  -5.802
  622   1HB   SER  30          1HB       SER  30 -12.475  -2.173  -3.893
  623   2HB   SER  30          2HB       SER  30 -14.200  -2.290  -4.234
  624    HG   SER  30           HG       SER  30 -13.043  -3.666  -5.600
  625    H    ILE  31           H        ILE  31 -12.171   0.119  -2.734
  626    HA   ILE  31           HA       ILE  31 -14.475   0.723  -1.190
  627    HB   ILE  31           HB       ILE  31 -12.412  -0.017  -0.143
  628   1HG1  ILE  31          1HG1      ILE  31 -12.154   1.899   1.550
  629   2HG1  ILE  31          2HG1      ILE  31 -13.386   2.735   0.603
  630   1HG2  ILE  31          1HG2      ILE  31 -10.875   1.108  -1.726
  631   2HG2  ILE  31          2HG2      ILE  31 -11.247   2.645  -0.952
  632   3HG2  ILE  31          3HG2      ILE  31 -10.439   1.372  -0.040
  633   1HD1  ILE  31          1HD1      ILE  31 -14.685   0.479   0.945
  634   2HD1  ILE  31          2HD1      ILE  31 -13.606   0.344   2.332
  635   3HD1  ILE  31          3HD1      ILE  31 -14.677   1.736   2.182
  636    H    LYS  32           H        LYS  32 -12.242   2.678  -3.071
  637    HA   LYS  32           HA       LYS  32 -13.242   5.185  -2.122
  638   1HB   LYS  32          1HB       LYS  32 -11.377   4.315  -4.289
  639   2HB   LYS  32          2HB       LYS  32 -12.030   5.946  -4.339
  640   1HG   LYS  32          1HG       LYS  32 -11.175   5.640  -1.722
  641   2HG   LYS  32          2HG       LYS  32  -9.931   4.841  -2.687
  642   1HD   LYS  32          1HD       LYS  32 -10.860   7.434  -3.725
  643   2HD   LYS  32          2HD       LYS  32 -10.001   7.503  -2.185
  644   1HE   LYS  32          1HE       LYS  32  -8.284   7.708  -3.727
  645   2HE   LYS  32          2HE       LYS  32  -8.268   5.983  -3.364
  646   1HZ   LYS  32          1HZ       LYS  32  -9.756   7.106  -5.665
  647   2HZ   LYS  32          2HZ       LYS  32  -8.140   6.621  -5.782
  648   3HZ   LYS  32          3HZ       LYS  32  -9.334   5.491  -5.382
  649    H    LYS  33           H        LYS  33 -14.295   2.895  -4.449
  650    HA   LYS  33           HA       LYS  33 -15.751   4.766  -6.077
  651   1HB   LYS  33          1HB       LYS  33 -14.876   2.688  -7.037
  652   2HB   LYS  33          2HB       LYS  33 -15.887   1.750  -5.947
  653   1HG   LYS  33          1HG       LYS  33 -17.500   3.618  -7.404
  654   2HG   LYS  33          2HG       LYS  33 -16.518   2.662  -8.517
  655   1HD   LYS  33          1HD       LYS  33 -17.316   0.661  -7.035
  656   2HD   LYS  33          2HD       LYS  33 -18.612   1.770  -6.582
  657   1HE   LYS  33          1HE       LYS  33 -18.287   1.874  -9.405
  658   2HE   LYS  33          2HE       LYS  33 -18.375   0.180  -8.922
  659   1HZ   LYS  33          1HZ       LYS  33 -20.321   1.922  -7.670
  660   2HZ   LYS  33          2HZ       LYS  33 -20.508   1.734  -9.342
  661   3HZ   LYS  33          3HZ       LYS  33 -20.517   0.377  -8.332
  662    H    LEU  34           H        LEU  34 -16.533   2.468  -3.481
  663    HA   LEU  34           HA       LEU  34 -19.349   3.079  -3.637
  664   1HB   LEU  34          1HB       LEU  34 -17.654   1.402  -1.818
  665   2HB   LEU  34          2HB       LEU  34 -19.324   1.753  -1.414
  666    HG   LEU  34           HG       LEU  34 -18.666   0.582  -4.089
  667   1HD1  LEU  34          1HD1      LEU  34 -17.521  -0.788  -2.361
  668   2HD1  LEU  34          2HD1      LEU  34 -19.086  -1.041  -1.587
  669   3HD1  LEU  34          3HD1      LEU  34 -18.802  -1.645  -3.219
  670   1HD2  LEU  34          1HD2      LEU  34 -21.033   0.971  -2.375
  671   2HD2  LEU  34          2HD2      LEU  34 -20.888   0.971  -4.132
  672   3HD2  LEU  34          3HD2      LEU  34 -20.952  -0.556  -3.251
  673    H    LYS  35           H        LYS  35 -16.583   4.298  -1.974
  674    HA   LYS  35           HA       LYS  35 -18.140   5.661   0.056
  675   1HB   LYS  35          1HB       LYS  35 -15.935   4.803   0.652
  676   2HB   LYS  35          2HB       LYS  35 -15.192   5.775  -0.612
  677   1HG   LYS  35          1HG       LYS  35 -16.499   7.678   0.813
  678   2HG   LYS  35          2HG       LYS  35 -16.067   6.527   2.080
  679   1HD   LYS  35          1HD       LYS  35 -14.105   7.600   0.060
  680   2HD   LYS  35          2HD       LYS  35 -14.367   8.326   1.647
  681   1HE   LYS  35          1HE       LYS  35 -13.624   6.349   2.756
  682   2HE   LYS  35          2HE       LYS  35 -13.602   5.441   1.245
  683   1HZ   LYS  35          1HZ       LYS  35 -11.838   7.742   1.896
  684   2HZ   LYS  35          2HZ       LYS  35 -11.379   6.114   1.924
  685   3HZ   LYS  35          3HZ       LYS  35 -11.807   6.848   0.461
  686    H    GLN  36           H        GLN  36 -16.773   6.292  -3.067
  687    HA   GLN  36           HA       GLN  36 -16.965   9.164  -2.837
  688   1HB   GLN  36          1HB       GLN  36 -16.242   7.260  -5.041
  689   2HB   GLN  36          2HB       GLN  36 -16.579   8.946  -5.406
  690   1HG   GLN  36          1HG       GLN  36 -14.789   9.672  -3.988
  691   2HG   GLN  36          2HG       GLN  36 -14.513   8.025  -3.424
  692   2HE2  GLN  36          2HE2      GLN  36 -14.188  10.238  -6.095
  693   1HE2  GLN  36          1HE2      GLN  36 -13.051   9.298  -6.995
  694    H    SER  37           H        SER  37 -18.877   6.522  -4.114
  695    HA   SER  37           HA       SER  37 -20.743   8.187  -5.507
  696   1HB   SER  37          1HB       SER  37 -20.821   5.285  -4.667
  697   2HB   SER  37          2HB       SER  37 -22.122   6.061  -5.570
  698    HG   SER  37           HG       SER  37 -20.459   4.935  -6.835
  699    H    GLU  38           H        GLU  38 -20.388   7.051  -2.256
  700    HA   GLU  38           HA       GLU  38 -23.116   7.490  -1.481
  701   1HB   GLU  38          1HB       GLU  38 -21.753   5.875  -0.276
  702   2HB   GLU  38          2HB       GLU  38 -20.607   7.132   0.168
  703   1HG   GLU  38          1HG       GLU  38 -22.791   8.218   1.211
  704   2HG   GLU  38          2HG       GLU  38 -23.286   6.527   1.270
  705    H    ASP  39           H        ASP  39 -20.229   9.405  -1.675
  706    HA   ASP  39           HA       ASP  39 -21.737  11.706  -0.636
  707   1HB   ASP  39          1HB       ASP  39 -19.729  10.614   0.791
  708   2HB   ASP  39          2HB       ASP  39 -18.799  11.711  -0.226
  709    H    ASP  40           H        ASP  40 -21.189  10.704  -3.365
  710    HA   ASP  40           HA       ASP  40 -19.203  12.185  -4.657
  711   1HB   ASP  40          1HB       ASP  40 -20.921  10.290  -5.470
  712   2HB   ASP  40          2HB       ASP  40 -21.744  11.706  -6.118
  713    H    ASP  41           H        ASP  41 -19.285  14.112  -5.871
  714    HA   ASP  41           HA       ASP  41 -21.583  15.821  -5.805
  715   1HB   ASP  41          1HB       ASP  41 -19.692  15.989  -3.645
  716   2HB   ASP  41          2HB       ASP  41 -19.640  17.475  -4.590

  No H/Q in entry =         716
  Start of MODEL   28
    1    H1   ALA   1           H1       ALA   1 -22.666  15.229   2.817
    2    H2   ALA   1           H2       ALA   1 -23.666  15.386   1.431
    3    H3   ALA   1           H3       ALA   1 -24.362  15.026   2.958
    4    HA   ALA   1           HA       ALA   1 -24.315  13.083   1.665
    5   1HB   ALA   1          1HB       ALA   1 -21.416  12.820   1.510
    6   2HB   ALA   1          2HB       ALA   1 -22.049  14.159   0.552
    7   3HB   ALA   1          3HB       ALA   1 -22.650  12.522   0.286
    8    H    LEU   2           H        LEU   2 -24.146  11.125   2.716
    9    HA   LEU   2           HA       LEU   2 -22.348  10.801   4.954
   10   1HB   LEU   2          1HB       LEU   2 -25.203  11.458   5.293
   11   2HB   LEU   2          2HB       LEU   2 -24.630  10.101   6.245
   12    HG   LEU   2           HG       LEU   2 -22.689  11.988   6.706
   13   1HD1  LEU   2          1HD1      LEU   2 -25.167  13.342   5.923
   14   2HD1  LEU   2          2HD1      LEU   2 -24.506  13.855   7.475
   15   3HD1  LEU   2          3HD1      LEU   2 -23.516  13.955   6.020
   16   1HD2  LEU   2          1HD2      LEU   2 -24.104  10.434   8.229
   17   2HD2  LEU   2          2HD2      LEU   2 -23.428  11.921   8.894
   18   3HD2  LEU   2          3HD2      LEU   2 -25.128  11.855   8.428
   19    H    LYS   3           H        LYS   3 -25.508   9.315   4.348
   20    HA   LYS   3           HA       LYS   3 -26.122   7.193   3.808
   21   1HB   LYS   3          1HB       LYS   3 -23.558   7.540   2.344
   22   2HB   LYS   3          2HB       LYS   3 -24.175   5.901   2.506
   23   1HG   LYS   3          1HG       LYS   3 -25.301   6.365   0.636
   24   2HG   LYS   3          2HG       LYS   3 -26.403   7.236   1.705
   25   1HD   LYS   3          1HD       LYS   3 -24.365   9.051   1.206
   26   2HD   LYS   3          2HD       LYS   3 -24.616   8.247  -0.346
   27   1HE   LYS   3          1HE       LYS   3 -27.179   8.686   0.472
   28   2HE   LYS   3          2HE       LYS   3 -26.349  10.098   1.126
   29   1HZ   LYS   3          1HZ       LYS   3 -25.469  10.541  -1.096
   30   2HZ   LYS   3          2HZ       LYS   3 -26.319   9.213  -1.710
   31   3HZ   LYS   3          3HZ       LYS   3 -27.162  10.542  -1.089
   32    H    LYS   4           H        LYS   4 -26.080   5.160   4.717
   33    HA   LYS   4           HA       LYS   4 -23.968   4.722   6.722
   34   1HB   LYS   4          1HB       LYS   4 -25.848   3.131   7.668
   35   2HB   LYS   4          2HB       LYS   4 -25.862   4.854   8.015
   36   1HG   LYS   4          1HG       LYS   4 -27.464   5.192   6.181
   37   2HG   LYS   4          2HG       LYS   4 -27.475   3.452   5.892
   38   1HD   LYS   4          1HD       LYS   4 -29.030   3.194   7.460
   39   2HD   LYS   4          2HD       LYS   4 -27.947   3.899   8.661
   40   1HE   LYS   4          1HE       LYS   4 -28.716   6.162   7.633
   41   2HE   LYS   4          2HE       LYS   4 -30.071   5.215   7.018
   42   1HZ   LYS   4          1HZ       LYS   4 -29.956   4.468   9.607
   43   2HZ   LYS   4          2HZ       LYS   4 -29.517   6.099   9.702
   44   3HZ   LYS   4          3HZ       LYS   4 -30.987   5.658   8.991
   45    H    HIS   5           H        HIS   5 -26.155   3.004   4.505
   46    HA   HIS   5           HA       HIS   5 -25.111   0.455   4.738
   47   1HB   HIS   5          1HB       HIS   5 -25.812   0.299   2.220
   48   2HB   HIS   5          2HB       HIS   5 -27.041   0.546   3.456
   49    HD1  HIS   5           HD1      HIS   5 -28.466   2.599   3.253
   50    HD2  HIS   5           HD2      HIS   5 -25.141   2.716   0.763
   51    HE1  HIS   5           HE1      HIS   5 -28.790   4.619   1.792
   52    HE2  HIS   5           HE2      HIS   5 -26.766   4.672   0.293
   53    H    HIS   6           H        HIS   6 -24.065   3.092   2.614
   54    HA   HIS   6           HA       HIS   6 -22.027   1.646   1.302
   55   1HB   HIS   6          1HB       HIS   6 -22.869   4.457   1.506
   56   2HB   HIS   6          2HB       HIS   6 -21.144   4.244   1.230
   57    HD1  HIS   6           HD1      HIS   6 -23.685   1.909  -0.251
   58    HD2  HIS   6           HD2      HIS   6 -21.250   5.068  -1.420
   59    HE1  HIS   6           HE1      HIS   6 -23.804   1.957  -2.763
   60    HE2  HIS   6           HE2      HIS   6 -22.324   3.877  -3.449
   61    H    GLU   7           H        GLU   7 -21.862   3.930   4.034
   62    HA   GLU   7           HA       GLU   7 -19.133   3.734   4.519
   63   1HB   GLU   7          1HB       GLU   7 -21.416   4.847   5.826
   64   2HB   GLU   7          2HB       GLU   7 -20.466   3.975   7.021
   65   1HG   GLU   7          1HG       GLU   7 -18.459   5.250   6.098
   66   2HG   GLU   7          2HG       GLU   7 -19.643   6.286   5.301
   67    H    ASN   8           H        ASN   8 -21.636   1.429   5.049
   68    HA   ASN   8           HA       ASN   8 -20.345  -0.057   7.119
   69   1HB   ASN   8          1HB       ASN   8 -22.479  -0.944   5.162
   70   2HB   ASN   8          2HB       ASN   8 -22.019  -1.783   6.642
   71   2HD2  ASN   8          2HD2      ASN   8 -24.614  -1.038   6.168
   72   1HD2  ASN   8          1HD2      ASN   8 -25.065   0.215   7.268
   73    H    GLU   9           H        GLU   9 -20.904  -0.808   3.663
   74    HA   GLU   9           HA       GLU   9 -18.975  -2.923   3.669
   75   1HB   GLU   9          1HB       GLU   9 -20.009  -1.482   1.231
   76   2HB   GLU   9          2HB       GLU   9 -19.424  -3.137   1.343
   77   1HG   GLU   9          1HG       GLU   9 -21.363  -3.712   2.732
   78   2HG   GLU   9          2HG       GLU   9 -21.955  -2.060   2.563
   79    H    ILE  10           H        ILE  10 -18.647   0.400   3.691
   80    HA   ILE  10           HA       ILE  10 -16.221   0.502   2.102
   81    HB   ILE  10           HB       ILE  10 -17.888   2.590   3.508
   82   1HG1  ILE  10          1HG1      ILE  10 -17.118   2.427   0.601
   83   2HG1  ILE  10          2HG1      ILE  10 -18.531   1.598   1.245
   84   1HG2  ILE  10          1HG2      ILE  10 -15.484   3.157   3.748
   85   2HG2  ILE  10          2HG2      ILE  10 -15.348   3.144   1.990
   86   3HG2  ILE  10          3HG2      ILE  10 -16.401   4.316   2.784
   87   1HD1  ILE  10          1HD1      ILE  10 -19.201   3.918   2.139
   88   2HD1  ILE  10          2HD1      ILE  10 -18.023   4.527   0.978
   89   3HD1  ILE  10          3HD1      ILE  10 -19.397   3.573   0.420
   90    H    SER  11           H        SER  11 -17.317   0.445   5.406
   91    HA   SER  11           HA       SER  11 -14.771   1.182   6.529
   92   1HB   SER  11          1HB       SER  11 -17.457   0.528   7.543
   93   2HB   SER  11          2HB       SER  11 -16.142  -0.037   8.573
   94    HG   SER  11           HG       SER  11 -15.367   2.072   8.676
   95    H    HIS  12           H        HIS  12 -16.439  -1.719   5.590
   96    HA   HIS  12           HA       HIS  12 -14.627  -3.487   6.951
   97   1HB   HIS  12          1HB       HIS  12 -16.528  -4.694   6.712
   98   2HB   HIS  12          2HB       HIS  12 -17.090  -3.712   5.372
   99    HD1  HIS  12           HD1      HIS  12 -15.329  -6.894   6.164
  100    HD2  HIS  12           HD2      HIS  12 -16.420  -4.685   2.822
  101    HE1  HIS  12           HE1      HIS  12 -15.025  -8.448   4.209
  102    HE2  HIS  12           HE2      HIS  12 -15.695  -7.090   2.192
  103    H    HIS  13           H        HIS  13 -15.207  -2.576   3.531
  104    HA   HIS  13           HA       HIS  13 -12.982  -4.006   2.526
  105   1HB   HIS  13          1HB       HIS  13 -14.372  -1.564   1.406
  106   2HB   HIS  13          2HB       HIS  13 -13.182  -2.525   0.542
  107    HD1  HIS  13           HD1      HIS  13 -14.385  -5.324   1.485
  108    HD2  HIS  13           HD2      HIS  13 -16.445  -2.180  -0.275
  109    HE1  HIS  13           HE1      HIS  13 -16.406  -6.367   0.408
  110    HE2  HIS  13           HE2      HIS  13 -17.649  -4.443  -0.644
  111    H    ALA  14           H        ALA  14 -13.346  -0.912   4.065
  112    HA   ALA  14           HA       ALA  14 -10.916   0.270   3.241
  113   1HB   ALA  14          1HB       ALA  14 -12.864   0.747   5.439
  114   2HB   ALA  14          2HB       ALA  14 -11.275   1.503   5.547
  115   3HB   ALA  14          3HB       ALA  14 -12.313   1.831   4.162
  116    H    LYS  15           H        LYS  15 -11.791  -1.543   6.179
  117    HA   LYS  15           HA       LYS  15  -9.273  -1.493   7.393
  118   1HB   LYS  15          1HB       LYS  15 -11.762  -2.990   7.704
  119   2HB   LYS  15          2HB       LYS  15 -10.344  -3.946   8.109
  120   1HG   LYS  15          1HG       LYS  15  -9.644  -2.292   9.725
  121   2HG   LYS  15          2HG       LYS  15 -10.986  -1.241   9.267
  122   1HD   LYS  15          1HD       LYS  15 -12.189  -2.234  10.857
  123   2HD   LYS  15          2HD       LYS  15 -12.166  -3.695   9.865
  124   1HE   LYS  15          1HE       LYS  15  -9.918  -3.037  11.741
  125   2HE   LYS  15          2HE       LYS  15 -11.369  -3.866  12.302
  126   1HZ   LYS  15          1HZ       LYS  15 -10.415  -5.098   9.950
  127   2HZ   LYS  15          2HZ       LYS  15  -9.152  -4.985  11.072
  128   3HZ   LYS  15          3HZ       LYS  15 -10.593  -5.760  11.496
  129    H    GLU  16           H        GLU  16 -10.588  -3.482   4.845
  130    HA   GLU  16           HA       GLU  16  -8.620  -5.507   4.855
  131   1HB   GLU  16          1HB       GLU  16 -10.793  -4.633   3.098
  132   2HB   GLU  16          2HB       GLU  16  -9.435  -5.335   2.231
  133   1HG   GLU  16          1HG       GLU  16  -9.977  -7.391   2.860
  134   2HG   GLU  16          2HG       GLU  16 -10.156  -6.909   4.547
  135    H    ILE  17           H        ILE  17  -8.929  -2.558   2.867
  136    HA   ILE  17           HA       ILE  17  -6.515  -2.910   1.460
  137    HB   ILE  17           HB       ILE  17  -6.840  -0.802   0.550
  138   1HG1  ILE  17          1HG1      ILE  17  -8.578   0.753   1.997
  139   2HG1  ILE  17          2HG1      ILE  17  -7.671  -0.043   3.279
  140   1HG2  ILE  17          1HG2      ILE  17  -9.019  -2.424   0.803
  141   2HG2  ILE  17          2HG2      ILE  17  -9.653  -0.866   1.322
  142   3HG2  ILE  17          3HG2      ILE  17  -8.904  -1.028  -0.263
  143   1HD1  ILE  17          1HD1      ILE  17  -5.962   0.980   1.168
  144   2HD1  ILE  17          2HD1      ILE  17  -6.932   2.234   1.941
  145   3HD1  ILE  17          3HD1      ILE  17  -5.875   1.211   2.914
  146    H    GLU  18           H        GLU  18  -7.151  -1.840   4.671
  147    HA   GLU  18           HA       GLU  18  -4.700  -0.401   5.030
  148   1HB   GLU  18          1HB       GLU  18  -6.609   0.138   6.423
  149   2HB   GLU  18          2HB       GLU  18  -6.687  -1.515   7.018
  150   1HG   GLU  18          1HG       GLU  18  -5.692   0.080   8.621
  151   2HG   GLU  18          2HG       GLU  18  -4.626  -1.260   8.199
  152    H    ARG  19           H        ARG  19  -5.832  -3.679   5.613
  153    HA   ARG  19           HA       ARG  19  -3.590  -4.574   7.083
  154   1HB   ARG  19          1HB       ARG  19  -5.702  -5.809   7.060
  155   2HB   ARG  19          2HB       ARG  19  -5.516  -6.127   5.341
  156   1HG   ARG  19          1HG       ARG  19  -3.299  -7.263   6.037
  157   2HG   ARG  19          2HG       ARG  19  -4.016  -7.287   7.649
  158   1HD   ARG  19          1HD       ARG  19  -5.132  -9.122   7.084
  159   2HD   ARG  19          2HD       ARG  19  -6.007  -8.184   5.875
  160    HE   ARG  19           HE       ARG  19  -3.725  -8.801   4.591
  161   1HH1  ARG  19          1HH1      ARG  19  -6.000 -10.724   6.393
  162   2HH1  ARG  19          2HH1      ARG  19  -5.719 -12.160   5.466
  163   1HH2  ARG  19          1HH2      ARG  19  -3.345 -10.686   3.364
  164   2HH2  ARG  19          2HH2      ARG  19  -4.209 -12.138   3.744
  165    H    LEU  20           H        LEU  20  -4.437  -4.875   3.630
  166    HA   LEU  20           HA       LEU  20  -2.066  -6.151   2.839
  167   1HB   LEU  20          1HB       LEU  20  -3.482  -4.215   1.045
  168   2HB   LEU  20          2HB       LEU  20  -2.722  -5.742   0.640
  169    HG   LEU  20           HG       LEU  20  -5.390  -5.299   1.959
  170   1HD1  LEU  20          1HD1      LEU  20  -4.453  -5.967  -0.701
  171   2HD1  LEU  20          2HD1      LEU  20  -5.596  -7.156  -0.077
  172   3HD1  LEU  20          3HD1      LEU  20  -6.051  -5.454  -0.160
  173   1HD2  LEU  20          1HD2      LEU  20  -4.056  -7.105   3.092
  174   2HD2  LEU  20          2HD2      LEU  20  -5.579  -7.630   2.372
  175   3HD2  LEU  20          3HD2      LEU  20  -4.053  -7.965   1.552
  176    H    GLN  21           H        GLN  21  -2.958  -2.739   3.051
  177    HA   GLN  21           HA       GLN  21  -0.612  -1.643   1.975
  178   1HB   GLN  21          1HB       GLN  21  -2.583  -0.279   2.288
  179   2HB   GLN  21          2HB       GLN  21  -2.538  -0.539   4.026
  180   1HG   GLN  21          1HG       GLN  21  -1.317   1.285   4.249
  181   2HG   GLN  21          2HG       GLN  21  -0.038   0.532   3.296
  182   2HE2  GLN  21          2HE2      GLN  21  -0.447   0.626   0.875
  183   1HE2  GLN  21          1HE2      GLN  21  -1.015   2.135   0.255
  184    H    LYS  22           H        LYS  22  -1.349  -2.956   5.109
  185    HA   LYS  22           HA       LYS  22   0.772  -1.827   6.578
  186   1HB   LYS  22          1HB       LYS  22  -1.216  -3.060   7.522
  187   2HB   LYS  22          2HB       LYS  22  -0.454  -4.556   7.003
  188   1HG   LYS  22          1HG       LYS  22   1.489  -3.162   8.469
  189   2HG   LYS  22          2HG       LYS  22  -0.015  -3.025   9.380
  190   1HD   LYS  22          1HD       LYS  22   1.137  -5.005  10.100
  191   2HD   LYS  22          2HD       LYS  22  -0.288  -5.491   9.180
  192   1HE   LYS  22          1HE       LYS  22   1.105  -5.857   7.208
  193   2HE   LYS  22          2HE       LYS  22   2.530  -5.352   8.114
  194   1HZ   LYS  22          1HZ       LYS  22   1.503  -7.297   9.673
  195   2HZ   LYS  22          2HZ       LYS  22   1.144  -7.878   8.125
  196   3HZ   LYS  22          3HZ       LYS  22   2.743  -7.520   8.545
  197    H    GLU  23           H        GLU  23   0.484  -4.894   4.813
  198    HA   GLU  23           HA       GLU  23   3.062  -5.863   5.342
  199   1HB   GLU  23          1HB       GLU  23   0.851  -6.693   3.847
  200   2HB   GLU  23          2HB       GLU  23   2.156  -6.555   2.675
  201   1HG   GLU  23          1HG       GLU  23   3.528  -8.061   3.954
  202   2HG   GLU  23          2HG       GLU  23   2.324  -8.118   5.240
  203    H    ILE  24           H        ILE  24   1.863  -3.957   2.584
  204    HA   ILE  24           HA       ILE  24   4.332  -3.785   1.253
  205    HB   ILE  24           HB       ILE  24   3.353  -2.405  -0.265
  206   1HG1  ILE  24          1HG1      ILE  24   1.394  -0.781   0.560
  207   2HG1  ILE  24          2HG1      ILE  24   2.270  -0.926   2.082
  208   1HG2  ILE  24          1HG2      ILE  24   1.784  -4.306   0.256
  209   2HG2  ILE  24          2HG2      ILE  24   0.796  -3.128   1.117
  210   3HG2  ILE  24          3HG2      ILE  24   1.092  -2.933  -0.606
  211   1HD1  ILE  24          1HD1      ILE  24   4.179  -0.460   0.055
  212   2HD1  ILE  24          2HD1      ILE  24   2.863   0.694  -0.172
  213   3HD1  ILE  24          3HD1      ILE  24   3.698   0.604   1.379
  214    H    GLU  25           H        GLU  25   3.059  -2.125   3.999
  215    HA   GLU  25           HA       GLU  25   4.811   0.110   3.971
  216   1HB   GLU  25          1HB       GLU  25   2.774  -0.989   5.721
  217   2HB   GLU  25          2HB       GLU  25   4.157  -0.410   6.641
  218   1HG   GLU  25          1HG       GLU  25   3.918   1.779   5.829
  219   2HG   GLU  25          2HG       GLU  25   2.826   1.268   4.543
  220    H    ARG  26           H        ARG  26   4.977  -3.148   5.258
  221    HA   ARG  26           HA       ARG  26   7.267  -2.837   6.863
  222   1HB   ARG  26          1HB       ARG  26   5.785  -4.812   6.967
  223   2HB   ARG  26          2HB       ARG  26   6.330  -5.296   5.367
  224   1HG   ARG  26          1HG       ARG  26   8.700  -5.166   6.541
  225   2HG   ARG  26          2HG       ARG  26   7.720  -5.458   7.980
  226   1HD   ARG  26          1HD       ARG  26   6.664  -7.331   6.449
  227   2HD   ARG  26          2HD       ARG  26   8.215  -7.207   5.622
  228    HE   ARG  26           HE       ARG  26   8.485  -7.470   8.461
  229   1HH1  ARG  26          1HH1      ARG  26   8.008  -9.218   5.487
  230   2HH1  ARG  26          2HH1      ARG  26   8.680 -10.694   6.095
  231   1HH2  ARG  26          1HH2      ARG  26   9.371  -9.408   9.272
  232   2HH2  ARG  26          2HH2      ARG  26   9.454 -10.803   8.248
  233    H    HIS  27           H        HIS  27   6.873  -3.868   3.475
  234    HA   HIS  27           HA       HIS  27   9.651  -4.147   2.972
  235   1HB   HIS  27          1HB       HIS  27   7.251  -4.552   1.543
  236   2HB   HIS  27          2HB       HIS  27   8.191  -3.398   0.602
  237    HD1  HIS  27           HD1      HIS  27  10.489  -4.227  -0.329
  238    HD2  HIS  27           HD2      HIS  27   8.232  -7.143   1.585
  239    HE1  HIS  27           HE1      HIS  27  11.549  -6.418  -0.961
  240    HE2  HIS  27           HE2      HIS  27  10.166  -8.172   0.207
  241    H    LYS  28           H        LYS  28   7.443  -1.478   3.011
  242    HA   LYS  28           HA       LYS  28   9.127   0.348   1.589
  243   1HB   LYS  28          1HB       LYS  28   6.713   0.659   1.598
  244   2HB   LYS  28          2HB       LYS  28   6.716   0.820   3.348
  245   1HG   LYS  28          1HG       LYS  28   8.536   2.723   2.305
  246   2HG   LYS  28          2HG       LYS  28   7.039   2.832   1.377
  247   1HD   LYS  28          1HD       LYS  28   7.337   3.015   4.373
  248   2HD   LYS  28          2HD       LYS  28   6.906   4.321   3.268
  249   1HE   LYS  28          1HE       LYS  28   4.981   2.587   2.633
  250   2HE   LYS  28          2HE       LYS  28   5.269   2.074   4.294
  251   1HZ   LYS  28          1HZ       LYS  28   4.749   4.892   3.533
  252   2HZ   LYS  28          2HZ       LYS  28   3.529   3.821   4.008
  253   3HZ   LYS  28          3HZ       LYS  28   4.764   4.231   5.090
  254    H    GLN  29           H        GLN  29   8.955  -0.813   4.812
  255    HA   GLN  29           HA       GLN  29  10.164   1.477   6.047
  256   1HB   GLN  29          1HB       GLN  29   8.716   0.008   7.350
  257   2HB   GLN  29          2HB       GLN  29   9.786  -1.352   7.042
  258   1HG   GLN  29          1HG       GLN  29  11.398  -0.592   8.495
  259   2HG   GLN  29          2HG       GLN  29  10.863   1.083   8.379
  260   2HE2  GLN  29          2HE2      GLN  29   9.213  -1.959   9.160
  261   1HE2  GLN  29          1HE2      GLN  29   8.576  -1.425  10.674
  262    H    SER  30           H        SER  30  11.240  -1.693   4.913
  263    HA   SER  30           HA       SER  30  13.933  -1.373   5.795
  264   1HB   SER  30          1HB       SER  30  14.178  -3.213   3.837
  265   2HB   SER  30          2HB       SER  30  13.574  -3.600   5.448
  266    HG   SER  30           HG       SER  30  12.194  -4.389   3.805
  267    H    ILE  31           H        ILE  31  12.257  -0.778   2.744
  268    HA   ILE  31           HA       ILE  31  14.626  -0.078   1.304
  269    HB   ILE  31           HB       ILE  31  12.562  -0.923   0.230
  270   1HG1  ILE  31          1HG1      ILE  31  14.391   0.905  -0.715
  271   2HG1  ILE  31          2HG1      ILE  31  13.242   0.012  -1.700
  272   1HG2  ILE  31          1HG2      ILE  31  11.054   0.460   1.701
  273   2HG2  ILE  31          2HG2      ILE  31  11.399   1.815   0.628
  274   3HG2  ILE  31          3HG2      ILE  31  10.611   0.370  -0.003
  275   1HD1  ILE  31          1HD1      ILE  31  12.314   2.576  -0.547
  276   2HD1  ILE  31          2HD1      ILE  31  13.518   2.648  -1.832
  277   3HD1  ILE  31          3HD1      ILE  31  11.976   1.840  -2.114
  278    H    LYS  32           H        LYS  32  12.233   1.696   3.171
  279    HA   LYS  32           HA       LYS  32  13.183   4.271   2.301
  280   1HB   LYS  32          1HB       LYS  32  11.598   5.211   3.802
  281   2HB   LYS  32          2HB       LYS  32  10.828   3.799   3.091
  282   1HG   LYS  32          1HG       LYS  32  11.512   2.526   5.147
  283   2HG   LYS  32          2HG       LYS  32  11.987   4.072   5.849
  284   1HD   LYS  32          1HD       LYS  32   9.611   4.846   5.262
  285   2HD   LYS  32          2HD       LYS  32   9.249   3.132   5.054
  286   1HE   LYS  32          1HE       LYS  32  10.533   3.134   7.455
  287   2HE   LYS  32          2HE       LYS  32   9.697   4.686   7.501
  288   1HZ   LYS  32          1HZ       LYS  32   8.051   2.526   6.557
  289   2HZ   LYS  32          2HZ       LYS  32   8.601   2.298   8.142
  290   3HZ   LYS  32          3HZ       LYS  32   7.731   3.691   7.741
  291    H    LYS  33           H        LYS  33  13.987   1.986   4.762
  292    HA   LYS  33           HA       LYS  33  15.322   3.811   6.511
  293   1HB   LYS  33          1HB       LYS  33  14.903   0.907   6.336
  294   2HB   LYS  33          2HB       LYS  33  16.449   1.369   7.033
  295   1HG   LYS  33          1HG       LYS  33  15.186   2.850   8.614
  296   2HG   LYS  33          2HG       LYS  33  13.704   2.112   8.004
  297   1HD   LYS  33          1HD       LYS  33  14.530   1.062  10.092
  298   2HD   LYS  33          2HD       LYS  33  14.431  -0.067   8.739
  299   1HE   LYS  33          1HE       LYS  33  16.688  -0.305   8.594
  300   2HE   LYS  33          2HE       LYS  33  17.005   1.344   9.132
  301   1HZ   LYS  33          1HZ       LYS  33  16.125  -0.886  10.886
  302   2HZ   LYS  33          2HZ       LYS  33  17.710  -0.309  10.763
  303   3HZ   LYS  33          3HZ       LYS  33  16.494   0.687  11.386
  304    H    LEU  34           H        LEU  34  16.302   1.668   3.876
  305    HA   LEU  34           HA       LEU  34  19.092   2.120   4.159
  306   1HB   LEU  34          1HB       LEU  34  17.672   0.321   2.796
  307   2HB   LEU  34          2HB       LEU  34  17.938   1.469   1.497
  308    HG   LEU  34           HG       LEU  34  20.287   0.557   3.094
  309   1HD1  LEU  34          1HD1      LEU  34  18.573  -1.169   1.479
  310   2HD1  LEU  34          2HD1      LEU  34  20.265  -1.175   0.980
  311   3HD1  LEU  34          3HD1      LEU  34  19.834  -1.584   2.640
  312   1HD2  LEU  34          1HD2      LEU  34  20.302   2.344   1.276
  313   2HD2  LEU  34          2HD2      LEU  34  21.494   1.049   1.146
  314   3HD2  LEU  34          3HD2      LEU  34  20.047   1.021   0.138
  315    H    LYS  35           H        LYS  35  16.603   3.552   2.075
  316    HA   LYS  35           HA       LYS  35  18.397   5.325   0.751
  317   1HB   LYS  35          1HB       LYS  35  16.161   4.572  -0.132
  318   2HB   LYS  35          2HB       LYS  35  15.407   5.636   1.048
  319   1HG   LYS  35          1HG       LYS  35  17.237   7.260  -0.248
  320   2HG   LYS  35          2HG       LYS  35  16.560   6.253  -1.530
  321   1HD   LYS  35          1HD       LYS  35  14.968   7.870   0.460
  322   2HD   LYS  35          2HD       LYS  35  15.275   8.321  -1.219
  323   1HE   LYS  35          1HE       LYS  35  14.085   6.338  -1.982
  324   2HE   LYS  35          2HE       LYS  35  13.812   5.845  -0.311
  325   1HZ   LYS  35          1HZ       LYS  35  12.837   8.378  -0.400
  326   2HZ   LYS  35          2HZ       LYS  35  12.387   7.754  -1.906
  327   3HZ   LYS  35          3HZ       LYS  35  11.912   6.965  -0.486
  328    H    GLN  36           H        GLN  36  16.650   5.416   3.735
  329    HA   GLN  36           HA       GLN  36  16.731   8.244   4.101
  330   1HB   GLN  36          1HB       GLN  36  15.086   6.935   5.294
  331   2HB   GLN  36          2HB       GLN  36  16.345   5.978   6.062
  332   1HG   GLN  36          1HG       GLN  36  16.915   7.643   7.528
  333   2HG   GLN  36          2HG       GLN  36  16.328   8.924   6.470
  334   2HE2  GLN  36          2HE2      GLN  36  15.589   9.270   8.916
  335   1HE2  GLN  36          1HE2      GLN  36  13.951   8.805   9.206
  336    H    SER  37           H        SER  37  18.871   5.576   4.823
  337    HA   SER  37           HA       SER  37  20.568   6.900   6.645
  338   1HB   SER  37          1HB       SER  37  20.920   4.526   4.829
  339   2HB   SER  37          2HB       SER  37  22.267   5.141   5.786
  340    HG   SER  37           HG       SER  37  19.789   4.601   7.004
  341    H    GLU  38           H        GLU  38  20.282   7.010   3.194
  342    HA   GLU  38           HA       GLU  38  22.872   8.230   2.791
  343   1HB   GLU  38          1HB       GLU  38  22.035   6.821   1.030
  344   2HB   GLU  38          2HB       GLU  38  20.539   7.741   0.938
  345   1HG   GLU  38          1HG       GLU  38  22.980   9.310   0.517
  346   2HG   GLU  38          2HG       GLU  38  22.661   8.078  -0.703
  347    H    ASP  39           H        ASP  39  19.614   9.239   3.368
  348    HA   ASP  39           HA       ASP  39  20.034  11.947   2.454
  349   1HB   ASP  39          1HB       ASP  39  17.814  10.825   2.314
  350   2HB   ASP  39          2HB       ASP  39  17.743  10.816   4.074
  351    H    ASP  40           H        ASP  40  20.397  10.164   5.388
  352    HA   ASP  40           HA       ASP  40  20.068  12.036   7.367
  353   1HB   ASP  40          1HB       ASP  40  21.870   9.688   7.027
  354   2HB   ASP  40          2HB       ASP  40  22.199  10.785   8.367
  355    H    ASP  41           H        ASP  41  20.632  14.113   6.763
  356    HA   ASP  41           HA       ASP  41  23.494  14.615   6.299
  357   1HB   ASP  41          1HB       ASP  41  22.589  16.910   5.523
  358   2HB   ASP  41          2HB       ASP  41  22.348  15.520   4.468
  359    H1   ALA   1           H1       ALA   1  22.667  15.237  -2.819
  360    H2   ALA   1           H2       ALA   1  23.667  15.394  -1.432
  361    H3   ALA   1           H3       ALA   1  24.363  15.034  -2.959
  362    HA   ALA   1           HA       ALA   1  24.315  13.092  -1.667
  363   1HB   ALA   1          1HB       ALA   1  22.049  14.166  -0.554
  364   2HB   ALA   1          2HB       ALA   1  21.417  12.828  -1.512
  365   3HB   ALA   1          3HB       ALA   1  22.651  12.530  -0.288
  366    H    LEU   2           H        LEU   2  24.144  11.132  -2.716
  367    HA   LEU   2           HA       LEU   2  22.348  10.807  -4.956
  368   1HB   LEU   2          1HB       LEU   2  25.202  11.465  -5.293
  369   2HB   LEU   2          2HB       LEU   2  24.632  10.108  -6.244
  370    HG   LEU   2           HG       LEU   2  22.689  11.994  -6.708
  371   1HD1  LEU   2          1HD1      LEU   2  25.168  13.348  -5.927
  372   2HD1  LEU   2          2HD1      LEU   2  24.506  13.861  -7.480
  373   3HD1  LEU   2          3HD1      LEU   2  23.516  13.961  -6.023
  374   1HD2  LEU   2          1HD2      LEU   2  24.105  10.438  -8.231
  375   2HD2  LEU   2          2HD2      LEU   2  23.429  11.925  -8.897
  376   3HD2  LEU   2          3HD2      LEU   2  25.129  11.860  -8.430
  377    H    LYS   3           H        LYS   3  25.508   9.319  -4.356
  378    HA   LYS   3           HA       LYS   3  26.123   7.199  -3.811
  379   1HB   LYS   3          1HB       LYS   3  23.558   7.545  -2.350
  380   2HB   LYS   3          2HB       LYS   3  24.171   5.906  -2.513
  381   1HG   LYS   3          1HG       LYS   3  25.298   6.365  -0.642
  382   2HG   LYS   3          2HG       LYS   3  26.402   7.237  -1.709
  383   1HD   LYS   3          1HD       LYS   3  24.366   9.052  -1.209
  384   2HD   LYS   3          2HD       LYS   3  24.615   8.247   0.342
  385   1HE   LYS   3          1HE       LYS   3  27.179   8.683  -0.472
  386   2HE   LYS   3          2HE       LYS   3  26.354  10.096  -1.130
  387   1HZ   LYS   3          1HZ       LYS   3  25.468  10.541   1.089
  388   2HZ   LYS   3          2HZ       LYS   3  26.318   9.215   1.707
  389   3HZ   LYS   3          3HZ       LYS   3  27.160  10.543   1.084
  390    H    LYS   4           H        LYS   4  26.081   5.160  -4.714
  391    HA   LYS   4           HA       LYS   4  23.973   4.722  -6.725
  392   1HB   LYS   4          1HB       LYS   4  25.855   3.130  -7.667
  393   2HB   LYS   4          2HB       LYS   4  25.868   4.853  -8.016
  394   1HG   LYS   4          1HG       LYS   4  27.467   5.195  -6.183
  395   2HG   LYS   4          2HG       LYS   4  27.480   3.454  -5.891
  396   1HD   LYS   4          1HD       LYS   4  29.036   3.197  -7.456
  397   2HD   LYS   4          2HD       LYS   4  27.952   3.898  -8.660
  398   1HE   LYS   4          1HE       LYS   4  28.722   6.163  -7.634
  399   2HE   LYS   4          2HE       LYS   4  30.078   5.217  -7.021
  400   1HZ   LYS   4          1HZ       LYS   4  29.957   4.467  -9.610
  401   2HZ   LYS   4          2HZ       LYS   4  29.518   6.099  -9.704
  402   3HZ   LYS   4          3HZ       LYS   4  30.989   5.658  -8.995
  403    H    HIS   5           H        HIS   5  26.160   3.006  -4.506
  404    HA   HIS   5           HA       HIS   5  25.116   0.455  -4.736
  405   1HB   HIS   5          1HB       HIS   5  25.814   0.305  -2.216
  406   2HB   HIS   5          2HB       HIS   5  27.046   0.550  -3.450
  407    HD1  HIS   5           HD1      HIS   5  28.465   2.608  -3.253
  408    HD2  HIS   5           HD2      HIS   5  25.141   2.721  -0.762
  409    HE1  HIS   5           HE1      HIS   5  28.786   4.632  -1.795
  410    HE2  HIS   5           HE2      HIS   5  26.763   4.681  -0.294
  411    H    HIS   6           H        HIS   6  24.070   3.093  -2.615
  412    HA   HIS   6           HA       HIS   6  22.032   1.648  -1.305
  413   1HB   HIS   6          1HB       HIS   6  22.881   4.456  -1.502
  414   2HB   HIS   6          2HB       HIS   6  21.154   4.249  -1.233
  415    HD1  HIS   6           HD1      HIS   6  23.686   1.906   0.252
  416    HD2  HIS   6           HD2      HIS   6  21.247   5.061   1.422
  417    HE1  HIS   6           HE1      HIS   6  23.791   1.941   2.765
  418    HE2  HIS   6           HE2      HIS   6  22.308   3.858   3.452
  419    H    GLU   7           H        GLU   7  21.871   3.933  -4.035
  420    HA   GLU   7           HA       GLU   7  19.142   3.741  -4.521
  421   1HB   GLU   7          1HB       GLU   7  21.425   4.848  -5.831
  422   2HB   GLU   7          2HB       GLU   7  20.473   3.975  -7.023
  423   1HG   GLU   7          1HG       GLU   7  18.468   5.254  -6.101
  424   2HG   GLU   7          2HG       GLU   7  19.653   6.289  -5.306
  425    H    ASN   8           H        ASN   8  21.641   1.432  -5.047
  426    HA   ASN   8           HA       ASN   8  20.349  -0.056  -7.114
  427   1HB   ASN   8          1HB       ASN   8  22.481  -0.946  -5.158
  428   2HB   ASN   8          2HB       ASN   8  22.022  -1.782  -6.638
  429   2HD2  ASN   8          2HD2      ASN   8  24.615  -1.048  -6.171
  430   1HD2  ASN   8          1HD2      ASN   8  25.070   0.207  -7.266
  431    H    GLU   9           H        GLU   9  20.911  -0.813  -3.659
  432    HA   GLU   9           HA       GLU   9  18.979  -2.922  -3.665
  433   1HB   GLU   9          1HB       GLU   9  20.009  -1.483  -1.224
  434   2HB   GLU   9          2HB       GLU   9  19.428  -3.138  -1.340
  435   1HG   GLU   9          1HG       GLU   9  21.369  -3.710  -2.725
  436   2HG   GLU   9          2HG       GLU   9  21.959  -2.057  -2.559
  437    H    ILE  10           H        ILE  10  18.655   0.402  -3.684
  438    HA   ILE  10           HA       ILE  10  16.230   0.509  -2.094
  439    HB   ILE  10           HB       ILE  10  17.902   2.591  -3.504
  440   1HG1  ILE  10          1HG1      ILE  10  17.129   2.426  -0.597
  441   2HG1  ILE  10          2HG1      ILE  10  18.547   1.606  -1.243
  442   1HG2  ILE  10          1HG2      ILE  10  15.483   3.154  -3.733
  443   2HG2  ILE  10          2HG2      ILE  10  15.377   3.175  -1.973
  444   3HG2  ILE  10          3HG2      ILE  10  16.422   4.323  -2.808
  445   1HD1  ILE  10          1HD1      ILE  10  19.215   3.925  -2.128
  446   2HD1  ILE  10          2HD1      ILE  10  18.021   4.535  -0.982
  447   3HD1  ILE  10          3HD1      ILE  10  19.394   3.590  -0.406
  448    H    SER  11           H        SER  11  17.319   0.457  -5.404
  449    HA   SER  11           HA       SER  11  14.770   1.193  -6.517
  450   1HB   SER  11          1HB       SER  11  17.451   0.544  -7.542
  451   2HB   SER  11          2HB       SER  11  16.133  -0.022  -8.568
  452    HG   SER  11           HG       SER  11  15.362   2.081  -8.681
  453    H    HIS  12           H        HIS  12  16.437  -1.708  -5.583
  454    HA   HIS  12           HA       HIS  12  14.623  -3.473  -6.947
  455   1HB   HIS  12          1HB       HIS  12  16.524  -4.680  -6.715
  456   2HB   HIS  12          2HB       HIS  12  17.089  -3.702  -5.373
  457    HD1  HIS  12           HD1      HIS  12  15.320  -6.881  -6.167
  458    HD2  HIS  12           HD2      HIS  12  16.433  -4.682  -2.826
  459    HE1  HIS  12           HE1      HIS  12  15.022  -8.437  -4.213
  460    HE2  HIS  12           HE2      HIS  12  15.704  -7.086  -2.197
  461    H    HIS  13           H        HIS  13  15.205  -2.564  -3.525
  462    HA   HIS  13           HA       HIS  13  12.984  -4.001  -2.522
  463   1HB   HIS  13          1HB       HIS  13  14.359  -1.554  -1.392
  464   2HB   HIS  13          2HB       HIS  13  13.181  -2.536  -0.533
  465    HD1  HIS  13           HD1      HIS  13  14.404  -5.316  -1.485
  466    HD2  HIS  13           HD2      HIS  13  16.450  -2.160   0.272
  467    HE1  HIS  13           HE1      HIS  13  16.438  -6.347  -0.420
  468    HE2  HIS  13           HE2      HIS  13  17.671  -4.417   0.630
  469    H    ALA  14           H        ALA  14  13.344  -0.899  -4.048
  470    HA   ALA  14           HA       ALA  14  10.910   0.272  -3.225
  471   1HB   ALA  14          1HB       ALA  14  12.842   0.756  -5.442
  472   2HB   ALA  14          2HB       ALA  14  12.333   1.827  -4.137
  473   3HB   ALA  14          3HB       ALA  14  11.260   1.531  -5.506
  474    H    LYS  15           H        LYS  15  11.791  -1.528  -6.168
  475    HA   LYS  15           HA       LYS  15   9.280  -1.479  -7.390
  476   1HB   LYS  15          1HB       LYS  15  11.769  -2.972  -7.695
  477   2HB   LYS  15          2HB       LYS  15  10.355  -3.936  -8.096
  478   1HG   LYS  15          1HG       LYS  15   9.647  -2.291  -9.717
  479   2HG   LYS  15          2HG       LYS  15  10.988  -1.236  -9.267
  480   1HD   LYS  15          1HD       LYS  15  12.195  -2.237 -10.847
  481   2HD   LYS  15          2HD       LYS  15  12.164  -3.696  -9.856
  482   1HE   LYS  15          1HE       LYS  15   9.921  -3.031 -11.733
  483   2HE   LYS  15          2HE       LYS  15  11.371  -3.861 -12.296
  484   1HZ   LYS  15          1HZ       LYS  15  10.414  -5.096  -9.946
  485   2HZ   LYS  15          2HZ       LYS  15   9.152  -4.981 -11.068
  486   3HZ   LYS  15          3HZ       LYS  15  10.595  -5.757 -11.493
  487    H    GLU  16           H        GLU  16  10.586  -3.476  -4.841
  488    HA   GLU  16           HA       GLU  16   8.615  -5.496  -4.857
  489   1HB   GLU  16          1HB       GLU  16  10.782  -4.622  -3.089
  490   2HB   GLU  16          2HB       GLU  16   9.418  -5.326  -2.230
  491   1HG   GLU  16          1HG       GLU  16   9.967  -7.381  -2.856
  492   2HG   GLU  16          2HG       GLU  16  10.148  -6.899  -4.542
  493    H    ILE  17           H        ILE  17   8.920  -2.554  -2.853
  494    HA   ILE  17           HA       ILE  17   6.497  -2.903  -1.464
  495    HB   ILE  17           HB       ILE  17   6.810  -0.792  -0.557
  496   1HG1  ILE  17          1HG1      ILE  17   8.565   0.754  -2.000
  497   2HG1  ILE  17          2HG1      ILE  17   7.653  -0.039  -3.280
  498   1HG2  ILE  17          1HG2      ILE  17   9.022  -2.406  -0.845
  499   2HG2  ILE  17          2HG2      ILE  17   9.623  -0.802  -1.261
  500   3HG2  ILE  17          3HG2      ILE  17   8.840  -1.073   0.291
  501   1HD1  ILE  17          1HD1      ILE  17   5.951   0.996  -1.170
  502   2HD1  ILE  17          2HD1      ILE  17   6.927   2.243  -1.944
  503   3HD1  ILE  17          3HD1      ILE  17   5.863   1.226  -2.916
  504    H    GLU  18           H        GLU  18   7.145  -1.836  -4.673
  505    HA   GLU  18           HA       GLU  18   4.693  -0.398  -5.040
  506   1HB   GLU  18          1HB       GLU  18   6.606   0.137  -6.431
  507   2HB   GLU  18          2HB       GLU  18   6.680  -1.516  -7.025
  508   1HG   GLU  18          1HG       GLU  18   5.690   0.083  -8.629
  509   2HG   GLU  18          2HG       GLU  18   4.623  -1.256  -8.210
  510    H    ARG  19           H        ARG  19   5.826  -3.677  -5.619
  511    HA   ARG  19           HA       ARG  19   3.581  -4.573  -7.087
  512   1HB   ARG  19          1HB       ARG  19   5.692  -5.807  -7.072
  513   2HB   ARG  19          2HB       ARG  19   5.516  -6.122  -5.352
  514   1HG   ARG  19          1HG       ARG  19   3.294  -7.262  -6.036
  515   2HG   ARG  19          2HG       ARG  19   4.008  -7.290  -7.650
  516   1HD   ARG  19          1HD       ARG  19   5.128  -9.120  -7.083
  517   2HD   ARG  19          2HD       ARG  19   6.002  -8.178  -5.875
  518    HE   ARG  19           HE       ARG  19   3.724  -8.795  -4.588
  519   1HH1  ARG  19          1HH1      ARG  19   6.000 -10.720  -6.388
  520   2HH1  ARG  19          2HH1      ARG  19   5.717 -12.156  -5.461
  521   1HH2  ARG  19          1HH2      ARG  19   3.345 -10.679  -3.359
  522   2HH2  ARG  19          2HH2      ARG  19   4.207 -12.133  -3.739
  523    H    LEU  20           H        LEU  20   4.435  -4.876  -3.636
  524    HA   LEU  20           HA       LEU  20   2.065  -6.150  -2.840
  525   1HB   LEU  20          1HB       LEU  20   3.482  -4.216  -1.046
  526   2HB   LEU  20          2HB       LEU  20   2.728  -5.747  -0.644
  527    HG   LEU  20           HG       LEU  20   5.390  -5.294  -1.969
  528   1HD1  LEU  20          1HD1      LEU  20   4.463  -5.961   0.695
  529   2HD1  LEU  20          2HD1      LEU  20   5.606  -7.150   0.068
  530   3HD1  LEU  20          3HD1      LEU  20   6.059  -5.448   0.147
  531   1HD2  LEU  20          1HD2      LEU  20   4.059  -7.104  -3.098
  532   2HD2  LEU  20          2HD2      LEU  20   5.584  -7.624  -2.381
  533   3HD2  LEU  20          3HD2      LEU  20   4.061  -7.963  -1.558
  534    H    GLN  21           H        GLN  21   2.953  -2.741  -3.065
  535    HA   GLN  21           HA       GLN  21   0.611  -1.646  -1.978
  536   1HB   GLN  21          1HB       GLN  21   2.579  -0.278  -2.286
  537   2HB   GLN  21          2HB       GLN  21   2.540  -0.538  -4.024
  538   1HG   GLN  21          1HG       GLN  21   1.316   1.282  -4.253
  539   2HG   GLN  21          2HG       GLN  21   0.037   0.532  -3.299
  540   2HE2  GLN  21          2HE2      GLN  21   0.434   0.635  -0.881
  541   1HE2  GLN  21          1HE2      GLN  21   1.004   2.143  -0.261
  542    H    LYS  22           H        LYS  22   1.347  -2.956  -5.111
  543    HA   LYS  22           HA       LYS  22  -0.774  -1.824  -6.579
  544   1HB   LYS  22          1HB       LYS  22   1.213  -3.055  -7.525
  545   2HB   LYS  22          2HB       LYS  22   0.452  -4.553  -7.007
  546   1HG   LYS  22          1HG       LYS  22  -1.492  -3.157  -8.470
  547   2HG   LYS  22          2HG       LYS  22   0.013  -3.022  -9.382
  548   1HD   LYS  22          1HD       LYS  22  -1.141  -5.001 -10.101
  549   2HD   LYS  22          2HD       LYS  22   0.286  -5.486  -9.183
  550   1HE   LYS  22          1HE       LYS  22  -1.106  -5.851  -7.208
  551   2HE   LYS  22          2HE       LYS  22  -2.532  -5.349  -8.114
  552   1HZ   LYS  22          1HZ       LYS  22  -1.504  -7.294  -9.671
  553   2HZ   LYS  22          2HZ       LYS  22  -1.145  -7.873  -8.122
  554   3HZ   LYS  22          3HZ       LYS  22  -2.744  -7.516  -8.542
  555    H    GLU  23           H        GLU  23  -0.486  -4.889  -4.811
  556    HA   GLU  23           HA       GLU  23  -3.061  -5.863  -5.342
  557   1HB   GLU  23          1HB       GLU  23  -0.851  -6.689  -3.846
  558   2HB   GLU  23          2HB       GLU  23  -2.155  -6.550  -2.674
  559   1HG   GLU  23          1HG       GLU  23  -3.527  -8.058  -3.951
  560   2HG   GLU  23          2HG       GLU  23  -2.322  -8.118  -5.237
  561    H    ILE  24           H        ILE  24  -1.868  -3.950  -2.586
  562    HA   ILE  24           HA       ILE  24  -4.340  -3.783  -1.258
  563    HB   ILE  24           HB       ILE  24  -3.363  -2.408   0.265
  564   1HG1  ILE  24          1HG1      ILE  24  -1.409  -0.774  -0.558
  565   2HG1  ILE  24          2HG1      ILE  24  -2.291  -0.916  -2.078
  566   1HG2  ILE  24          1HG2      ILE  24  -1.786  -4.301  -0.266
  567   2HG2  ILE  24          2HG2      ILE  24  -0.801  -3.113  -1.117
  568   3HG2  ILE  24          3HG2      ILE  24  -1.102  -2.930   0.607
  569   1HD1  ILE  24          1HD1      ILE  24  -4.197  -0.465  -0.047
  570   2HD1  ILE  24          2HD1      ILE  24  -2.882   0.689   0.191
  571   3HD1  ILE  24          3HD1      ILE  24  -3.715   0.612  -1.361
  572    H    GLU  25           H        GLU  25  -3.060  -2.119  -3.999
  573    HA   GLU  25           HA       GLU  25  -4.810   0.116  -3.974
  574   1HB   GLU  25          1HB       GLU  25  -2.772  -0.984  -5.721
  575   2HB   GLU  25          2HB       GLU  25  -4.153  -0.408  -6.643
  576   1HG   GLU  25          1HG       GLU  25  -3.917   1.782  -5.835
  577   2HG   GLU  25          2HG       GLU  25  -2.825   1.275  -4.547
  578    H    ARG  26           H        ARG  26  -4.978  -3.143  -5.263
  579    HA   ARG  26           HA       ARG  26  -7.269  -2.828  -6.869
  580   1HB   ARG  26          1HB       ARG  26  -5.790  -4.805  -6.975
  581   2HB   ARG  26          2HB       ARG  26  -6.330  -5.287  -5.373
  582   1HG   ARG  26          1HG       ARG  26  -8.704  -5.158  -6.539
  583   2HG   ARG  26          2HG       ARG  26  -7.729  -5.451  -7.979
  584   1HD   ARG  26          1HD       ARG  26  -6.667  -7.322  -6.447
  585   2HD   ARG  26          2HD       ARG  26  -8.221  -7.199  -5.622
  586    HE   ARG  26           HE       ARG  26  -8.489  -7.463  -8.461
  587   1HH1  ARG  26          1HH1      ARG  26  -8.010  -9.208  -5.486
  588   2HH1  ARG  26          2HH1      ARG  26  -8.679 -10.685  -6.093
  589   1HH2  ARG  26          1HH2      ARG  26  -9.372  -9.404  -9.272
  590   2HH2  ARG  26          2HH2      ARG  26  -9.453 -10.797  -8.245
  591    H    HIS  27           H        HIS  27  -6.868  -3.858  -3.484
  592    HA   HIS  27           HA       HIS  27  -9.644  -4.135  -2.969
  593   1HB   HIS  27          1HB       HIS  27  -7.237  -4.557  -1.563
  594   2HB   HIS  27          2HB       HIS  27  -8.157  -3.402  -0.608
  595    HD1  HIS  27           HD1      HIS  27 -10.449  -4.218   0.351
  596    HD2  HIS  27           HD2      HIS  27  -8.239  -7.140  -1.611
  597    HE1  HIS  27           HE1      HIS  27 -11.520  -6.405   0.981
  598    HE2  HIS  27           HE2      HIS  27 -10.165  -8.162  -0.217
  599    H    LYS  28           H        LYS  28  -7.444  -1.462  -3.030
  600    HA   LYS  28           HA       LYS  28  -9.128   0.358  -1.593
  601   1HB   LYS  28          1HB       LYS  28  -6.715   0.674  -1.593
  602   2HB   LYS  28          2HB       LYS  28  -6.712   0.834  -3.344
  603   1HG   LYS  28          1HG       LYS  28  -8.537   2.735  -2.304
  604   2HG   LYS  28          2HG       LYS  28  -7.040   2.848  -1.377
  605   1HD   LYS  28          1HD       LYS  28  -7.341   3.031  -4.372
  606   2HD   LYS  28          2HD       LYS  28  -6.906   4.335  -3.266
  607   1HE   LYS  28          1HE       LYS  28  -4.983   2.595  -2.637
  608   2HE   LYS  28          2HE       LYS  28  -5.275   2.086  -4.299
  609   1HZ   LYS  28          1HZ       LYS  28  -4.751   4.901  -3.534
  610   2HZ   LYS  28          2HZ       LYS  28  -3.532   3.830  -4.008
  611   3HZ   LYS  28          3HZ       LYS  28  -4.765   4.242  -5.091
  612    H    GLN  29           H        GLN  29  -8.954  -0.803  -4.814
  613    HA   GLN  29           HA       GLN  29 -10.163   1.488  -6.050
  614   1HB   GLN  29          1HB       GLN  29  -8.712   0.019  -7.351
  615   2HB   GLN  29          2HB       GLN  29  -9.782  -1.342  -7.045
  616   1HG   GLN  29          1HG       GLN  29 -11.394  -0.580  -8.496
  617   2HG   GLN  29          2HG       GLN  29 -10.854   1.096  -8.383
  618   2HE2  GLN  29          2HE2      GLN  29  -9.212  -1.953  -9.161
  619   1HE2  GLN  29          1HE2      GLN  29  -8.574  -1.421 -10.676
  620    H    SER  30           H        SER  30 -11.236  -1.684  -4.916
  621    HA   SER  30           HA       SER  30 -13.929  -1.368  -5.800
  622   1HB   SER  30          1HB       SER  30 -14.170  -3.209  -3.841
  623   2HB   SER  30          2HB       SER  30 -13.567  -3.594  -5.452
  624    HG   SER  30           HG       SER  30 -12.189  -4.381  -3.803
  625    H    ILE  31           H        ILE  31 -12.255  -0.781  -2.743
  626    HA   ILE  31           HA       ILE  31 -14.623  -0.078  -1.306
  627    HB   ILE  31           HB       ILE  31 -12.552  -0.921  -0.239
  628   1HG1  ILE  31          1HG1      ILE  31 -14.393   0.895   0.715
  629   2HG1  ILE  31          2HG1      ILE  31 -13.249  -0.006   1.694
  630   1HG2  ILE  31          1HG2      ILE  31 -11.056   0.485  -1.703
  631   2HG2  ILE  31          2HG2      ILE  31 -11.409   1.828  -0.618
  632   3HG2  ILE  31          3HG2      ILE  31 -10.610   0.382   0.001
  633   1HD1  ILE  31          1HD1      ILE  31 -11.671   1.962   1.380
  634   2HD1  ILE  31          2HD1      ILE  31 -13.073   2.837   0.763
  635   3HD1  ILE  31          3HD1      ILE  31 -13.080   2.209   2.410
  636    H    LYS  32           H        LYS  32 -12.229   1.702  -3.169
  637    HA   LYS  32           HA       LYS  32 -13.183   4.274  -2.301
  638   1HB   LYS  32          1HB       LYS  32 -11.603   5.217  -3.803
  639   2HB   LYS  32          2HB       LYS  32 -10.829   3.808  -3.093
  640   1HG   LYS  32          1HG       LYS  32 -11.511   2.532  -5.149
  641   2HG   LYS  32          2HG       LYS  32 -11.991   4.078  -5.851
  642   1HD   LYS  32          1HD       LYS  32  -9.618   4.859  -5.270
  643   2HD   LYS  32          2HD       LYS  32  -9.249   3.146  -5.058
  644   1HE   LYS  32          1HE       LYS  32 -10.536   3.140  -7.458
  645   2HE   LYS  32          2HE       LYS  32  -9.702   4.694  -7.508
  646   1HZ   LYS  32          1HZ       LYS  32  -8.053   2.538  -6.561
  647   2HZ   LYS  32          2HZ       LYS  32  -8.602   2.308  -8.146
  648   3HZ   LYS  32          3HZ       LYS  32  -7.734   3.704  -7.745
  649    H    LYS  33           H        LYS  33 -13.985   1.991  -4.764
  650    HA   LYS  33           HA       LYS  33 -15.319   3.816  -6.512
  651   1HB   LYS  33          1HB       LYS  33 -14.899   0.911  -6.339
  652   2HB   LYS  33          2HB       LYS  33 -16.447   1.372  -7.034
  653   1HG   LYS  33          1HG       LYS  33 -15.186   2.857  -8.614
  654   2HG   LYS  33          2HG       LYS  33 -13.702   2.118  -8.007
  655   1HD   LYS  33          1HD       LYS  33 -14.531   1.074 -10.096
  656   2HD   LYS  33          2HD       LYS  33 -14.429  -0.059  -8.747
  657   1HE   LYS  33          1HE       LYS  33 -16.685  -0.299  -8.597
  658   2HE   LYS  33          2HE       LYS  33 -17.004   1.349  -9.136
  659   1HZ   LYS  33          1HZ       LYS  33 -16.124  -0.882 -10.888
  660   2HZ   LYS  33          2HZ       LYS  33 -17.710  -0.304 -10.765
  661   3HZ   LYS  33          3HZ       LYS  33 -16.493   0.691 -11.390
  662    H    LEU  34           H        LEU  34 -16.302   1.673  -3.877
  663    HA   LEU  34           HA       LEU  34 -19.091   2.127  -4.163
  664   1HB   LEU  34          1HB       LEU  34 -17.672   0.329  -2.795
  665   2HB   LEU  34          2HB       LEU  34 -17.945   1.476  -1.498
  666    HG   LEU  34           HG       LEU  34 -20.287   0.562  -3.105
  667   1HD1  LEU  34          1HD1      LEU  34 -18.577  -1.164  -1.488
  668   2HD1  LEU  34          2HD1      LEU  34 -20.269  -1.169  -0.989
  669   3HD1  LEU  34          3HD1      LEU  34 -19.838  -1.579  -2.649
  670   1HD2  LEU  34          1HD2      LEU  34 -20.311   2.349  -1.286
  671   2HD2  LEU  34          2HD2      LEU  34 -21.501   1.053  -1.159
  672   3HD2  LEU  34          3HD2      LEU  34 -20.056   1.025  -0.147
  673    H    LYS  35           H        LYS  35 -16.605   3.556  -2.071
  674    HA   LYS  35           HA       LYS  35 -18.402   5.330  -0.752
  675   1HB   LYS  35          1HB       LYS  35 -16.169   4.579   0.138
  676   2HB   LYS  35          2HB       LYS  35 -15.410   5.636  -1.045
  677   1HG   LYS  35          1HG       LYS  35 -17.240   7.269   0.244
  678   2HG   LYS  35          2HG       LYS  35 -16.563   6.266   1.528
  679   1HD   LYS  35          1HD       LYS  35 -14.973   7.876  -0.468
  680   2HD   LYS  35          2HD       LYS  35 -15.278   8.331   1.210
  681   1HE   LYS  35          1HE       LYS  35 -14.088   6.346   1.977
  682   2HE   LYS  35          2HE       LYS  35 -13.814   5.853   0.305
  683   1HZ   LYS  35          1HZ       LYS  35 -12.839   8.387   0.393
  684   2HZ   LYS  35          2HZ       LYS  35 -12.390   7.762   1.900
  685   3HZ   LYS  35          3HZ       LYS  35 -11.915   6.973   0.481
  686    H    GLN  36           H        GLN  36 -16.652   5.420  -3.734
  687    HA   GLN  36           HA       GLN  36 -16.732   8.250  -4.099
  688   1HB   GLN  36          1HB       GLN  36 -15.087   6.942  -5.295
  689   2HB   GLN  36          2HB       GLN  36 -16.345   5.981  -6.060
  690   1HG   GLN  36          1HG       GLN  36 -16.918   7.644  -7.527
  691   2HG   GLN  36          2HG       GLN  36 -16.332   8.928  -6.471
  692   2HE2  GLN  36          2HE2      GLN  36 -15.594   9.275  -8.916
  693   1HE2  GLN  36          1HE2      GLN  36 -13.957   8.808  -9.207
  694    H    SER  37           H        SER  37 -18.871   5.579  -4.831
  695    HA   SER  37           HA       SER  37 -20.567   6.905  -6.651
  696   1HB   SER  37          1HB       SER  37 -20.925   4.533  -4.832
  697   2HB   SER  37          2HB       SER  37 -22.268   5.150  -5.795
  698    HG   SER  37           HG       SER  37 -19.792   4.617  -7.013
  699    H    GLU  38           H        GLU  38 -20.283   7.015  -3.199
  700    HA   GLU  38           HA       GLU  38 -22.874   8.238  -2.798
  701   1HB   GLU  38          1HB       GLU  38 -22.036   6.829  -1.036
  702   2HB   GLU  38          2HB       GLU  38 -20.540   7.749  -0.943
  703   1HG   GLU  38          1HG       GLU  38 -22.986   9.314  -0.523
  704   2HG   GLU  38          2HG       GLU  38 -22.661   8.085   0.699
  705    H    ASP  39           H        ASP  39 -19.615   9.245  -3.375
  706    HA   ASP  39           HA       ASP  39 -20.036  11.954  -2.459
  707   1HB   ASP  39          1HB       ASP  39 -17.816  10.835  -2.314
  708   2HB   ASP  39          2HB       ASP  39 -17.742  10.821  -4.074
  709    H    ASP  40           H        ASP  40 -20.395  10.169  -5.393
  710    HA   ASP  40           HA       ASP  40 -20.064  12.042  -7.372
  711   1HB   ASP  40          1HB       ASP  40 -21.867   9.695  -7.035
  712   2HB   ASP  40          2HB       ASP  40 -22.195  10.791  -8.374
  713    H    ASP  41           H        ASP  41 -20.629  14.119  -6.772
  714    HA   ASP  41           HA       ASP  41 -23.492  14.618  -6.307
  715   1HB   ASP  41          1HB       ASP  41 -22.589  16.915  -5.533
  716   2HB   ASP  41          2HB       ASP  41 -22.349  15.526  -4.478

  No H/Q in entry =         716
  Start of MODEL   29
    1    H1   ALA   1           H1       ALA   1 -28.757  10.863   2.658
    2    H2   ALA   1           H2       ALA   1 -30.310  10.866   1.929
    3    H3   ALA   1           H3       ALA   1 -30.159  10.618   3.618
    4    HA   ALA   1           HA       ALA   1 -30.608   8.582   2.514
    5   1HB   ALA   1          1HB       ALA   1 -28.257   7.995   1.155
    6   2HB   ALA   1          2HB       ALA   1 -28.667   9.636   0.653
    7   3HB   ALA   1          3HB       ALA   1 -29.836   8.333   0.445
    8    H    LEU   2           H        LEU   2 -29.260   6.531   2.873
    9    HA   LEU   2           HA       LEU   2 -26.895   6.457   4.298
   10   1HB   LEU   2          1HB       LEU   2 -28.937   7.576   5.863
   11   2HB   LEU   2          2HB       LEU   2 -28.745   5.937   6.452
   12    HG   LEU   2           HG       LEU   2 -26.301   7.607   6.089
   13   1HD1  LEU   2          1HD1      LEU   2 -28.247   8.830   7.369
   14   2HD1  LEU   2          2HD1      LEU   2 -27.752   7.760   8.680
   15   3HD1  LEU   2          3HD1      LEU   2 -26.589   8.877   7.966
   16   1HD2  LEU   2          1HD2      LEU   2 -27.183   5.269   7.705
   17   2HD2  LEU   2          2HD2      LEU   2 -25.700   5.511   6.782
   18   3HD2  LEU   2          3HD2      LEU   2 -25.907   6.307   8.342
   19    H    LYS   3           H        LYS   3 -26.636   4.566   3.158
   20    HA   LYS   3           HA       LYS   3 -28.557   2.408   3.502
   21   1HB   LYS   3          1HB       LYS   3 -25.967   2.423   1.944
   22   2HB   LYS   3          2HB       LYS   3 -27.242   1.215   1.848
   23   1HG   LYS   3          1HG       LYS   3 -27.564   2.532  -0.040
   24   2HG   LYS   3          2HG       LYS   3 -28.755   3.143   1.110
   25   1HD   LYS   3          1HD       LYS   3 -27.766   5.157   1.246
   26   2HD   LYS   3          2HD       LYS   3 -26.143   4.464   1.259
   27   1HE   LYS   3          1HE       LYS   3 -26.696   5.902  -0.732
   28   2HE   LYS   3          2HE       LYS   3 -26.102   4.284  -1.102
   29   1HZ   LYS   3          1HZ       LYS   3 -28.999   4.734  -0.910
   30   2HZ   LYS   3          2HZ       LYS   3 -28.184   5.222  -2.312
   31   3HZ   LYS   3          3HZ       LYS   3 -28.148   3.600  -1.833
   32    H    LYS   4           H        LYS   4 -27.861   0.259   4.157
   33    HA   LYS   4           HA       LYS   4 -25.831   0.409   6.276
   34   1HB   LYS   4          1HB       LYS   4 -28.453  -0.799   6.094
   35   2HB   LYS   4          2HB       LYS   4 -27.245  -1.996   6.540
   36   1HG   LYS   4          1HG       LYS   4 -27.234   0.605   7.972
   37   2HG   LYS   4          2HG       LYS   4 -28.508  -0.556   8.348
   38   1HD   LYS   4          1HD       LYS   4 -26.493  -2.234   8.499
   39   2HD   LYS   4          2HD       LYS   4 -25.563  -0.760   8.771
   40   1HE   LYS   4          1HE       LYS   4 -27.027  -0.179  10.639
   41   2HE   LYS   4          2HE       LYS   4 -27.969  -1.644  10.362
   42   1HZ   LYS   4          1HZ       LYS   4 -25.694  -2.803  10.662
   43   2HZ   LYS   4          2HZ       LYS   4 -25.245  -1.369  11.440
   44   3HZ   LYS   4          3HZ       LYS   4 -26.542  -2.280  12.030
   45    H    HIS   5           H        HIS   5 -27.061  -1.860   3.815
   46    HA   HIS   5           HA       HIS   5 -25.107  -3.796   3.983
   47   1HB   HIS   5          1HB       HIS   5 -25.560  -4.027   1.420
   48   2HB   HIS   5          2HB       HIS   5 -26.859  -4.351   2.562
   49    HD1  HIS   5           HD1      HIS   5 -28.991  -3.233   2.016
   50    HD2  HIS   5           HD2      HIS   5 -25.734  -1.188   0.445
   51    HE1  HIS   5           HE1      HIS   5 -29.967  -1.324   0.699
   52    HE2  HIS   5           HE2      HIS   5 -27.977  -0.098  -0.242
   53    H    HIS   6           H        HIS   6 -25.025  -0.721   2.256
   54    HA   HIS   6           HA       HIS   6 -22.610  -1.129   0.878
   55   1HB   HIS   6          1HB       HIS   6 -24.339   1.162   1.533
   56   2HB   HIS   6          2HB       HIS   6 -22.642   1.575   1.316
   57    HD1  HIS   6           HD1      HIS   6 -23.895  -1.230  -0.738
   58    HD2  HIS   6           HD2      HIS   6 -23.426   2.883  -1.101
   59    HE1  HIS   6           HE1      HIS   6 -24.142  -0.739  -3.192
   60    HE2  HIS   6           HE2      HIS   6 -23.853   1.756  -3.390
   61    H    GLU   7           H        GLU   7 -23.212   0.589   3.946
   62    HA   GLU   7           HA       GLU   7 -20.591   1.196   4.583
   63   1HB   GLU   7          1HB       GLU   7 -22.928   1.674   5.784
   64   2HB   GLU   7          2HB       GLU   7 -22.387   0.341   6.795
   65   1HG   GLU   7          1HG       GLU   7 -21.670   2.285   7.882
   66   2HG   GLU   7          2HG       GLU   7 -20.232   1.628   7.103
   67    H    ASN   8           H        ASN   8 -22.194  -1.863   4.593
   68    HA   ASN   8           HA       ASN   8 -20.469  -3.202   6.420
   69   1HB   ASN   8          1HB       ASN   8 -22.730  -3.878   4.746
   70   2HB   ASN   8          2HB       ASN   8 -21.477  -5.110   4.620
   71   2HD2  ASN   8          2HD2      ASN   8 -23.383  -6.274   5.630
   72   1HD2  ASN   8          1HD2      ASN   8 -23.415  -6.333   7.357
   73    H    GLU   9           H        GLU   9 -20.719  -3.427   2.856
   74    HA   GLU   9           HA       GLU   9 -18.195  -4.748   2.620
   75   1HB   GLU   9          1HB       GLU   9 -19.649  -3.278   0.423
   76   2HB   GLU   9          2HB       GLU   9 -18.522  -4.617   0.260
   77   1HG   GLU   9          1HG       GLU   9 -20.367  -5.857   0.067
   78   2HG   GLU   9          2HG       GLU   9 -20.427  -5.736   1.825
   79    H    ILE  10           H        ILE  10 -18.990  -1.573   3.279
   80    HA   ILE  10           HA       ILE  10 -16.744  -0.371   1.899
   81    HB   ILE  10           HB       ILE  10 -18.987   0.728   3.592
   82   1HG1  ILE  10          1HG1      ILE  10 -18.259   1.430   0.757
   83   2HG1  ILE  10          2HG1      ILE  10 -19.285   0.051   1.141
   84   1HG2  ILE  10          1HG2      ILE  10 -16.890   1.985   4.053
   85   2HG2  ILE  10          2HG2      ILE  10 -16.812   2.385   2.336
   86   3HG2  ILE  10          3HG2      ILE  10 -18.168   2.949   3.313
   87   1HD1  ILE  10          1HD1      ILE  10 -20.700   1.766   2.446
   88   2HD1  ILE  10          2HD1      ILE  10 -19.833   2.964   1.486
   89   3HD1  ILE  10          3HD1      ILE  10 -20.803   1.727   0.686
   90    H    SER  11           H        SER  11 -17.708  -1.479   5.054
   91    HA   SER  11           HA       SER  11 -15.512  -0.194   6.419
   92   1HB   SER  11          1HB       SER  11 -16.278  -1.701   8.337
   93   2HB   SER  11          2HB       SER  11 -17.457  -0.524   7.757
   94    HG   SER  11           HG       SER  11 -18.678  -2.237   7.606
   95    H    HIS  12           H        HIS  12 -16.206  -3.230   4.881
   96    HA   HIS  12           HA       HIS  12 -13.920  -4.574   5.990
   97   1HB   HIS  12          1HB       HIS  12 -15.352  -6.245   5.469
   98   2HB   HIS  12          2HB       HIS  12 -16.220  -5.261   4.306
   99    HD1  HIS  12           HD1      HIS  12 -13.508  -7.807   4.580
  100    HD2  HIS  12           HD2      HIS  12 -15.377  -5.534   1.649
  101    HE1  HIS  12           HE1      HIS  12 -12.793  -8.819   2.390
  102    HE2  HIS  12           HE2      HIS  12 -13.937  -7.428   0.626
  103    H    HIS  13           H        HIS  13 -14.778  -3.178   2.801
  104    HA   HIS  13           HA       HIS  13 -12.242  -3.722   1.644
  105   1HB   HIS  13          1HB       HIS  13 -14.296  -1.628   0.923
  106   2HB   HIS  13          2HB       HIS  13 -12.886  -2.020  -0.049
  107    HD1  HIS  13           HD1      HIS  13 -13.258  -5.192   0.384
  108    HD2  HIS  13           HD2      HIS  13 -16.068  -2.462  -0.976
  109    HE1  HIS  13           HE1      HIS  13 -14.909  -6.545  -0.950
  110    HE2  HIS  13           HE2      HIS  13 -16.610  -4.873  -1.765
  111    H    ALA  14           H        ALA  14 -13.468  -1.218   3.718
  112    HA   ALA  14           HA       ALA  14 -11.476   0.734   3.195
  113   1HB   ALA  14          1HB       ALA  14 -13.376   0.272   5.475
  114   2HB   ALA  14          2HB       ALA  14 -12.177   1.566   5.521
  115   3HB   ALA  14          3HB       ALA  14 -13.402   1.542   4.252
  116    H    LYS  15           H        LYS  15 -11.821  -1.727   5.748
  117    HA   LYS  15           HA       LYS  15  -9.334  -1.156   6.981
  118   1HB   LYS  15          1HB       LYS  15 -11.436  -3.183   7.218
  119   2HB   LYS  15          2HB       LYS  15  -9.827  -3.813   7.543
  120   1HG   LYS  15          1HG       LYS  15 -10.677  -1.274   8.848
  121   2HG   LYS  15          2HG       LYS  15 -11.285  -2.812   9.463
  122   1HD   LYS  15          1HD       LYS  15  -8.642  -3.366   9.198
  123   2HD   LYS  15          2HD       LYS  15  -8.588  -1.649   9.603
  124   1HE   LYS  15          1HE       LYS  15  -8.476  -2.862  11.647
  125   2HE   LYS  15          2HE       LYS  15 -10.087  -2.152  11.545
  126   1HZ   LYS  15          1HZ       LYS  15 -10.076  -4.725  10.370
  127   2HZ   LYS  15          2HZ       LYS  15  -9.450  -4.814  11.938
  128   3HZ   LYS  15          3HZ       LYS  15 -10.987  -4.157  11.676
  129    H    GLU  16           H        GLU  16 -10.225  -2.898   4.147
  130    HA   GLU  16           HA       GLU  16  -7.888  -4.541   4.003
  131   1HB   GLU  16          1HB       GLU  16  -9.886  -3.773   1.868
  132   2HB   GLU  16          2HB       GLU  16  -8.652  -5.015   1.703
  133   1HG   GLU  16          1HG       GLU  16 -10.264  -5.436   4.061
  134   2HG   GLU  16          2HG       GLU  16 -11.252  -5.348   2.603
  135    H    ILE  17           H        ILE  17  -8.865  -1.411   2.640
  136    HA   ILE  17           HA       ILE  17  -6.542  -1.178   0.988
  137    HB   ILE  17           HB       ILE  17  -7.333   0.899   0.327
  138   1HG1  ILE  17          1HG1      ILE  17  -9.196   2.034   1.866
  139   2HG1  ILE  17          2HG1      ILE  17  -8.352   1.140   3.127
  140   1HG2  ILE  17          1HG2      ILE  17  -9.151  -1.169   0.550
  141   2HG2  ILE  17          2HG2      ILE  17 -10.038   0.248   1.112
  142   3HG2  ILE  17          3HG2      ILE  17  -9.291   0.252  -0.484
  143   1HD1  ILE  17          1HD1      ILE  17  -6.323   2.357   1.701
  144   2HD1  ILE  17          2HD1      ILE  17  -7.602   3.571   1.761
  145   3HD1  ILE  17          3HD1      ILE  17  -6.978   2.872   3.256
  146    H    GLU  18           H        GLU  18  -7.385  -0.135   4.239
  147    HA   GLU  18           HA       GLU  18  -5.017   1.440   4.599
  148   1HB   GLU  18          1HB       GLU  18  -7.312   1.553   5.857
  149   2HB   GLU  18          2HB       GLU  18  -6.602   0.310   6.878
  150   1HG   GLU  18          1HG       GLU  18  -4.657   1.877   7.222
  151   2HG   GLU  18          2HG       GLU  18  -5.636   3.119   6.442
  152    H    ARG  19           H        ARG  19  -5.901  -1.886   4.991
  153    HA   ARG  19           HA       ARG  19  -3.765  -2.618   6.734
  154   1HB   ARG  19          1HB       ARG  19  -5.783  -3.977   6.592
  155   2HB   ARG  19          2HB       ARG  19  -5.477  -4.293   4.889
  156   1HG   ARG  19          1HG       ARG  19  -3.217  -5.262   5.793
  157   2HG   ARG  19          2HG       ARG  19  -4.127  -5.401   7.298
  158   1HD   ARG  19          1HD       ARG  19  -5.914  -6.439   5.580
  159   2HD   ARG  19          2HD       ARG  19  -4.419  -6.873   4.753
  160    HE   ARG  19           HE       ARG  19  -5.420  -7.963   7.223
  161   1HH1  ARG  19          1HH1      ARG  19  -2.602  -7.425   5.250
  162   2HH1  ARG  19          2HH1      ARG  19  -1.699  -8.724   5.957
  163   1HH2  ARG  19          1HH2      ARG  19  -4.241  -9.675   8.162
  164   2HH2  ARG  19          2HH2      ARG  19  -2.632 -10.003   7.612
  165    H    LEU  20           H        LEU  20  -4.278  -2.827   3.218
  166    HA   LEU  20           HA       LEU  20  -1.793  -4.063   2.661
  167   1HB   LEU  20          1HB       LEU  20  -3.325  -2.273   0.784
  168   2HB   LEU  20          2HB       LEU  20  -2.226  -3.576   0.368
  169    HG   LEU  20           HG       LEU  20  -4.560  -4.385   1.974
  170   1HD1  LEU  20          1HD1      LEU  20  -5.290  -2.571   0.237
  171   2HD1  LEU  20          2HD1      LEU  20  -5.072  -3.885  -0.919
  172   3HD1  LEU  20          3HD1      LEU  20  -6.213  -4.063   0.414
  173   1HD2  LEU  20          1HD2      LEU  20  -2.863  -5.421  -0.228
  174   2HD2  LEU  20          2HD2      LEU  20  -3.401  -6.207   1.256
  175   3HD2  LEU  20          3HD2      LEU  20  -4.513  -6.034  -0.103
  176    H    GLN  21           H        GLN  21  -2.836  -0.716   2.911
  177    HA   GLN  21           HA       GLN  21  -0.512   0.498   1.891
  178   1HB   GLN  21          1HB       GLN  21  -2.700   1.646   2.285
  179   2HB   GLN  21          2HB       GLN  21  -2.365   1.599   4.010
  180   1HG   GLN  21          1HG       GLN  21  -0.207   2.848   3.428
  181   2HG   GLN  21          2HG       GLN  21  -0.972   3.162   1.871
  182   2HE2  GLN  21          2HE2      GLN  21  -3.622   3.416   2.815
  183   1HE2  GLN  21          1HE2      GLN  21  -3.728   4.889   3.711
  184    H    LYS  22           H        LYS  22  -1.397  -0.616   5.114
  185    HA   LYS  22           HA       LYS  22   0.743   0.493   6.542
  186   1HB   LYS  22          1HB       LYS  22  -1.147  -0.453   7.708
  187   2HB   LYS  22          2HB       LYS  22  -0.838  -2.039   7.014
  188   1HG   LYS  22          1HG       LYS  22   1.424  -1.903   8.218
  189   2HG   LYS  22          2HG       LYS  22   0.692  -0.588   9.139
  190   1HD   LYS  22          1HD       LYS  22   0.136  -2.338  10.492
  191   2HD   LYS  22          2HD       LYS  22  -1.257  -2.365   9.410
  192   1HE   LYS  22          1HE       LYS  22  -0.749  -4.424   8.755
  193   2HE   LYS  22          2HE       LYS  22   0.856  -3.894   8.250
  194   1HZ   LYS  22          1HZ       LYS  22   0.837  -4.088  11.040
  195   2HZ   LYS  22          2HZ       LYS  22   0.170  -5.516  10.425
  196   3HZ   LYS  22          3HZ       LYS  22   1.711  -5.022   9.933
  197    H    GLU  23           H        GLU  23   0.404  -2.690   4.995
  198    HA   GLU  23           HA       GLU  23   2.879  -3.751   5.672
  199   1HB   GLU  23          1HB       GLU  23   0.760  -4.599   4.178
  200   2HB   GLU  23          2HB       GLU  23   1.977  -4.352   2.933
  201   1HG   GLU  23          1HG       GLU  23   3.340  -5.706   4.911
  202   2HG   GLU  23          2HG       GLU  23   1.742  -6.449   4.918
  203    H    ILE  24           H        ILE  24   1.993  -1.718   2.902
  204    HA   ILE  24           HA       ILE  24   4.529  -1.755   1.678
  205    HB   ILE  24           HB       ILE  24   3.749  -0.253   0.156
  206   1HG1  ILE  24          1HG1      ILE  24   1.838   1.469   1.004
  207   2HG1  ILE  24          2HG1      ILE  24   2.750   1.262   2.497
  208   1HG2  ILE  24          1HG2      ILE  24   1.947  -2.043   0.776
  209   2HG2  ILE  24          2HG2      ILE  24   1.012  -0.626   1.251
  210   3HG2  ILE  24          3HG2      ILE  24   1.603  -0.778  -0.402
  211   1HD1  ILE  24          1HD1      ILE  24   4.616   1.638   0.409
  212   2HD1  ILE  24          2HD1      ILE  24   3.362   2.871   0.243
  213   3HD1  ILE  24          3HD1      ILE  24   4.245   2.711   1.762
  214    H    GLU  25           H        GLU  25   3.194   0.105   4.300
  215    HA   GLU  25           HA       GLU  25   5.087   2.157   4.462
  216   1HB   GLU  25          1HB       GLU  25   2.859   1.719   5.795
  217   2HB   GLU  25          2HB       GLU  25   3.939   0.939   6.944
  218   1HG   GLU  25          1HG       GLU  25   5.206   3.318   6.454
  219   2HG   GLU  25          2HG       GLU  25   3.501   3.765   6.402
  220    H    ARG  26           H        ARG  26   5.045  -1.088   5.888
  221    HA   ARG  26           HA       ARG  26   7.434  -0.862   7.347
  222   1HB   ARG  26          1HB       ARG  26   5.882  -2.698   7.729
  223   2HB   ARG  26          2HB       ARG  26   6.143  -3.294   6.095
  224   1HG   ARG  26          1HG       ARG  26   8.531  -3.678   6.691
  225   2HG   ARG  26          2HG       ARG  26   8.129  -3.248   8.354
  226   1HD   ARG  26          1HD       ARG  26   7.719  -5.433   8.621
  227   2HD   ARG  26          2HD       ARG  26   6.212  -5.102   7.766
  228    HE   ARG  26           HE       ARG  26   7.024  -6.249   5.956
  229   1HH1  ARG  26          1HH1      ARG  26   9.641  -5.555   8.146
  230   2HH1  ARG  26          2HH1      ARG  26  10.783  -6.547   7.300
  231   1HH2  ARG  26          1HH2      ARG  26   8.519  -7.558   4.836
  232   2HH2  ARG  26          2HH2      ARG  26  10.144  -7.685   5.419
  233    H    HIS  27           H        HIS  27   6.765  -1.724   3.997
  234    HA   HIS  27           HA       HIS  27   9.433  -2.490   3.369
  235   1HB   HIS  27          1HB       HIS  27   6.907  -2.398   2.039
  236   2HB   HIS  27          2HB       HIS  27   8.093  -1.576   1.034
  237    HD1  HIS  27           HD1      HIS  27  10.320  -3.053   0.513
  238    HD2  HIS  27           HD2      HIS  27   6.971  -5.109   1.866
  239    HE1  HIS  27           HE1      HIS  27  10.723  -5.462  -0.085
  240    HE2  HIS  27           HE2      HIS  27   8.683  -6.689   0.743
  241    H    LYS  28           H        LYS  28   7.792   0.540   3.651
  242    HA   LYS  28           HA       LYS  28   9.655   1.997   2.027
  243   1HB   LYS  28          1HB       LYS  28   8.382   3.890   2.445
  244   2HB   LYS  28          2HB       LYS  28   7.191   2.608   2.562
  245   1HG   LYS  28          1HG       LYS  28   6.628   3.338   4.572
  246   2HG   LYS  28          2HG       LYS  28   8.257   3.005   5.155
  247   1HD   LYS  28          1HD       LYS  28   8.977   5.221   4.401
  248   2HD   LYS  28          2HD       LYS  28   7.342   5.551   3.823
  249   1HE   LYS  28          1HE       LYS  28   7.057   4.714   6.480
  250   2HE   LYS  28          2HE       LYS  28   8.436   5.812   6.473
  251   1HZ   LYS  28          1HZ       LYS  28   7.018   7.430   5.283
  252   2HZ   LYS  28          2HZ       LYS  28   5.699   6.389   5.477
  253   3HZ   LYS  28          3HZ       LYS  28   6.450   7.063   6.834
  254    H    GLN  29           H        GLN  29   9.399   1.055   5.340
  255    HA   GLN  29           HA       GLN  29  11.281   2.937   6.377
  256   1HB   GLN  29          1HB       GLN  29   9.592   1.790   7.787
  257   2HB   GLN  29          2HB       GLN  29  10.424   0.266   7.511
  258   1HG   GLN  29          1HG       GLN  29  12.427   1.190   8.599
  259   2HG   GLN  29          2HG       GLN  29  11.538   2.677   8.925
  260   2HE2  GLN  29          2HE2      GLN  29  10.979  -0.815   9.278
  261   1HE2  GLN  29          1HE2      GLN  29  10.404  -0.728  10.905
  262    H    SER  30           H        SER  30  11.443  -0.434   5.300
  263    HA   SER  30           HA       SER  30  14.181  -0.816   5.918
  264   1HB   SER  30          1HB       SER  30  14.033  -2.821   4.565
  265   2HB   SER  30          2HB       SER  30  12.546  -2.660   5.501
  266    HG   SER  30           HG       SER  30  12.204  -3.188   3.266
  267    H    ILE  31           H        ILE  31  12.517   0.048   2.898
  268    HA   ILE  31           HA       ILE  31  14.897   0.274   1.353
  269    HB   ILE  31           HB       ILE  31  12.745  -0.112   0.288
  270   1HG1  ILE  31          1HG1      ILE  31  12.811   1.798  -1.401
  271   2HG1  ILE  31          2HG1      ILE  31  14.108   2.484  -0.425
  272   1HG2  ILE  31          1HG2      ILE  31  11.587   1.466   2.012
  273   2HG2  ILE  31          2HG2      ILE  31  11.919   2.711   0.810
  274   3HG2  ILE  31          3HG2      ILE  31  10.933   1.315   0.385
  275   1HD1  ILE  31          1HD1      ILE  31  15.258   0.219  -0.730
  276   2HD1  ILE  31          2HD1      ILE  31  14.083  -0.039  -2.019
  277   3HD1  ILE  31          3HD1      ILE  31  15.202   1.321  -2.105
  278    H    LYS  32           H        LYS  32  13.232   2.390   3.522
  279    HA   LYS  32           HA       LYS  32  14.431   4.812   2.534
  280   1HB   LYS  32          1HB       LYS  32  12.282   4.970   3.614
  281   2HB   LYS  32          2HB       LYS  32  12.900   4.187   5.062
  282   1HG   LYS  32          1HG       LYS  32  13.711   6.094   5.886
  283   2HG   LYS  32          2HG       LYS  32  14.376   6.591   4.329
  284   1HD   LYS  32          1HD       LYS  32  11.465   6.784   5.098
  285   2HD   LYS  32          2HD       LYS  32  12.617   8.119   5.173
  286   1HE   LYS  32          1HE       LYS  32  13.031   7.802   2.734
  287   2HE   LYS  32          2HE       LYS  32  11.731   6.612   2.718
  288   1HZ   LYS  32          1HZ       LYS  32  11.337   9.395   3.651
  289   2HZ   LYS  32          2HZ       LYS  32  11.108   8.932   2.040
  290   3HZ   LYS  32          3HZ       LYS  32  10.153   8.254   3.259
  291    H    LYS  33           H        LYS  33  15.245   2.332   4.807
  292    HA   LYS  33           HA       LYS  33  17.194   3.871   6.245
  293   1HB   LYS  33          1HB       LYS  33  16.453   0.963   6.146
  294   2HB   LYS  33          2HB       LYS  33  17.915   1.481   6.974
  295   1HG   LYS  33          1HG       LYS  33  16.169   3.179   8.081
  296   2HG   LYS  33          2HG       LYS  33  15.084   1.835   7.721
  297   1HD   LYS  33          1HD       LYS  33  17.503   0.807   8.839
  298   2HD   LYS  33          2HD       LYS  33  16.891   2.095   9.879
  299   1HE   LYS  33          1HE       LYS  33  14.611   0.720   9.306
  300   2HE   LYS  33          2HE       LYS  33  15.805  -0.577   9.335
  301   1HZ   LYS  33          1HZ       LYS  33  16.512   0.614  11.535
  302   2HZ   LYS  33          2HZ       LYS  33  14.921   1.186  11.505
  303   3HZ   LYS  33          3HZ       LYS  33  15.220  -0.479  11.523
  304    H    LEU  34           H        LEU  34  17.261   1.467   3.647
  305    HA   LEU  34           HA       LEU  34  20.095   1.402   3.420
  306   1HB   LEU  34          1HB       LEU  34  17.803   0.240   2.049
  307   2HB   LEU  34          2HB       LEU  34  19.091   0.671   0.941
  308    HG   LEU  34           HG       LEU  34  19.627  -0.978   3.396
  309   1HD1  LEU  34          1HD1      LEU  34  18.722  -1.922   0.683
  310   2HD1  LEU  34          2HD1      LEU  34  19.482  -2.959   1.890
  311   3HD1  LEU  34          3HD1      LEU  34  17.930  -2.196   2.235
  312   1HD2  LEU  34          1HD2      LEU  34  21.283   0.201   1.538
  313   2HD2  LEU  34          2HD2      LEU  34  21.707  -1.137   2.607
  314   3HD2  LEU  34          3HD2      LEU  34  21.149  -1.461   0.965
  315    H    LYS  35           H        LYS  35  17.555   3.320   1.939
  316    HA   LYS  35           HA       LYS  35  19.246   4.528  -0.027
  317   1HB   LYS  35          1HB       LYS  35  16.470   5.009   0.979
  318   2HB   LYS  35          2HB       LYS  35  17.254   6.248   0.008
  319   1HG   LYS  35          1HG       LYS  35  17.711   4.323  -1.654
  320   2HG   LYS  35          2HG       LYS  35  16.441   3.479  -0.764
  321   1HD   LYS  35          1HD       LYS  35  15.153   5.754  -1.131
  322   2HD   LYS  35          2HD       LYS  35  16.271   5.901  -2.489
  323   1HE   LYS  35          1HE       LYS  35  14.995   3.272  -2.231
  324   2HE   LYS  35          2HE       LYS  35  13.882   4.597  -2.568
  325   1HZ   LYS  35          1HZ       LYS  35  16.339   4.101  -4.151
  326   2HZ   LYS  35          2HZ       LYS  35  14.828   3.463  -4.564
  327   3HZ   LYS  35          3HZ       LYS  35  15.058   5.139  -4.531
  328    H    GLN  36           H        GLN  36  18.204   5.335   3.228
  329    HA   GLN  36           HA       GLN  36  19.223   7.988   3.236
  330   1HB   GLN  36          1HB       GLN  36  17.494   7.042   4.820
  331   2HB   GLN  36          2HB       GLN  36  18.809   6.210   5.639
  332   1HG   GLN  36          1HG       GLN  36  19.801   8.245   6.317
  333   2HG   GLN  36          2HG       GLN  36  18.759   9.186   5.250
  334   2HE2  GLN  36          2HE2      GLN  36  16.399   9.008   5.716
  335   1HE2  GLN  36          1HE2      GLN  36  15.917   8.975   7.375
  336    H    SER  37           H        SER  37  20.606   4.850   3.806
  337    HA   SER  37           HA       SER  37  22.935   5.717   5.183
  338   1HB   SER  37          1HB       SER  37  22.562   3.213   3.523
  339   2HB   SER  37          2HB       SER  37  23.801   3.483   4.749
  340    HG   SER  37           HG       SER  37  21.370   2.515   5.091
  341    H    GLU  38           H        GLU  38  22.009   5.607   1.848
  342    HA   GLU  38           HA       GLU  38  24.714   5.879   0.855
  343   1HB   GLU  38          1HB       GLU  38  22.987   4.661  -0.432
  344   2HB   GLU  38          2HB       GLU  38  22.078   6.156  -0.601
  345   1HG   GLU  38          1HG       GLU  38  24.631   6.773  -1.512
  346   2HG   GLU  38          2HG       GLU  38  24.296   5.163  -2.148
  347    H    ASP  39           H        ASP  39  22.088   7.935   1.780
  348    HA   ASP  39           HA       ASP  39  23.168  10.265   0.436
  349   1HB   ASP  39          1HB       ASP  39  20.662   9.540   1.703
  350   2HB   ASP  39          2HB       ASP  39  21.221  11.118   2.250
  351    H    ASP  40           H        ASP  40  23.375   8.739   3.525
  352    HA   ASP  40           HA       ASP  40  23.935  10.800   5.253
  353   1HB   ASP  40          1HB       ASP  40  24.085   8.059   5.373
  354   2HB   ASP  40          2HB       ASP  40  25.772   8.531   5.557
  355    H    ASP  41           H        ASP  41  25.120  12.511   4.587
  356    HA   ASP  41           HA       ASP  41  27.501  12.281   3.043
  357   1HB   ASP  41          1HB       ASP  41  26.766  14.684   4.700
  358   2HB   ASP  41          2HB       ASP  41  27.646  14.632   3.176
  359    H1   ALA   1           H1       ALA   1  28.757  10.866  -2.652
  360    H2   ALA   1           H2       ALA   1  30.310  10.867  -1.921
  361    H3   ALA   1           H3       ALA   1  30.158  10.621  -3.611
  362    HA   ALA   1           HA       ALA   1  30.608   8.584  -2.509
  363   1HB   ALA   1          1HB       ALA   1  28.667   9.637  -0.647
  364   2HB   ALA   1          2HB       ALA   1  28.257   7.997  -1.149
  365   3HB   ALA   1          3HB       ALA   1  29.836   8.333  -0.438
  366    H    LEU   2           H        LEU   2  29.261   6.533  -2.870
  367    HA   LEU   2           HA       LEU   2  26.895   6.460  -4.294
  368   1HB   LEU   2          1HB       LEU   2  28.937   7.581  -5.857
  369   2HB   LEU   2          2HB       LEU   2  28.745   5.941  -6.448
  370    HG   LEU   2           HG       LEU   2  26.301   7.611  -6.085
  371   1HD1  LEU   2          1HD1      LEU   2  28.247   8.835  -7.364
  372   2HD1  LEU   2          2HD1      LEU   2  27.752   7.766  -8.676
  373   3HD1  LEU   2          3HD1      LEU   2  26.589   8.883  -7.961
  374   1HD2  LEU   2          1HD2      LEU   2  27.183   5.274  -7.701
  375   2HD2  LEU   2          2HD2      LEU   2  25.700   5.515  -6.779
  376   3HD2  LEU   2          3HD2      LEU   2  25.908   6.312  -8.338
  377    H    LYS   3           H        LYS   3  26.636   4.569  -3.154
  378    HA   LYS   3           HA       LYS   3  28.557   2.411  -3.500
  379   1HB   LYS   3          1HB       LYS   3  25.967   2.425  -1.942
  380   2HB   LYS   3          2HB       LYS   3  27.241   1.217  -1.846
  381   1HG   LYS   3          1HG       LYS   3  27.562   2.531   0.042
  382   2HG   LYS   3          2HG       LYS   3  28.754   3.143  -1.107
  383   1HD   LYS   3          1HD       LYS   3  27.765   5.157  -1.243
  384   2HD   LYS   3          2HD       LYS   3  26.142   4.465  -1.255
  385   1HE   LYS   3          1HE       LYS   3  26.697   5.902   0.736
  386   2HE   LYS   3          2HE       LYS   3  26.101   4.284   1.105
  387   1HZ   LYS   3          1HZ       LYS   3  28.998   4.734   0.915
  388   2HZ   LYS   3          2HZ       LYS   3  28.184   5.221   2.315
  389   3HZ   LYS   3          3HZ       LYS   3  28.147   3.600   1.836
  390    H    LYS   4           H        LYS   4  27.861   0.262  -4.157
  391    HA   LYS   4           HA       LYS   4  25.831   0.413  -6.276
  392   1HB   LYS   4          1HB       LYS   4  28.453  -0.796  -6.094
  393   2HB   LYS   4          2HB       LYS   4  27.244  -1.992  -6.542
  394   1HG   LYS   4          1HG       LYS   4  27.234   0.610  -7.972
  395   2HG   LYS   4          2HG       LYS   4  28.508  -0.551  -8.348
  396   1HD   LYS   4          1HD       LYS   4  26.493  -2.229  -8.500
  397   2HD   LYS   4          2HD       LYS   4  25.563  -0.754  -8.772
  398   1HE   LYS   4          1HE       LYS   4  27.027  -0.173 -10.639
  399   2HE   LYS   4          2HE       LYS   4  27.969  -1.638 -10.363
  400   1HZ   LYS   4          1HZ       LYS   4  25.694  -2.796 -10.664
  401   2HZ   LYS   4          2HZ       LYS   4  25.245  -1.362 -11.440
  402   3HZ   LYS   4          3HZ       LYS   4  26.542  -2.272 -12.032
  403    H    HIS   5           H        HIS   5  27.061  -1.858  -3.816
  404    HA   HIS   5           HA       HIS   5  25.108  -3.794  -3.985
  405   1HB   HIS   5          1HB       HIS   5  25.560  -4.025  -1.421
  406   2HB   HIS   5          2HB       HIS   5  26.859  -4.349  -2.565
  407    HD1  HIS   5           HD1      HIS   5  28.992  -3.232  -2.017
  408    HD2  HIS   5           HD2      HIS   5  25.734  -1.187  -0.445
  409    HE1  HIS   5           HE1      HIS   5  29.967  -1.324  -0.701
  410    HE2  HIS   5           HE2      HIS   5  27.977  -0.099   0.242
  411    H    HIS   6           H        HIS   6  25.025  -0.720  -2.256
  412    HA   HIS   6           HA       HIS   6  22.610  -1.129  -0.879
  413   1HB   HIS   6          1HB       HIS   6  24.338   1.163  -1.532
  414   2HB   HIS   6          2HB       HIS   6  22.641   1.575  -1.314
  415    HD1  HIS   6           HD1      HIS   6  23.896  -1.230   0.737
  416    HD2  HIS   6           HD2      HIS   6  23.426   2.883   1.103
  417    HE1  HIS   6           HE1      HIS   6  24.141  -0.740   3.192
  418    HE2  HIS   6           HE2      HIS   6  23.853   1.755   3.391
  419    H    GLU   7           H        GLU   7  23.212   0.591  -3.946
  420    HA   GLU   7           HA       GLU   7  20.591   1.199  -4.583
  421   1HB   GLU   7          1HB       GLU   7  22.929   1.676  -5.783
  422   2HB   GLU   7          2HB       GLU   7  22.387   0.345  -6.795
  423   1HG   GLU   7          1HG       GLU   7  21.671   2.291  -7.880
  424   2HG   GLU   7          2HG       GLU   7  20.232   1.632  -7.102
  425    H    ASN   8           H        ASN   8  22.194  -1.860  -4.593
  426    HA   ASN   8           HA       ASN   8  20.469  -3.198  -6.421
  427   1HB   ASN   8          1HB       ASN   8  22.729  -3.875  -4.749
  428   2HB   ASN   8          2HB       ASN   8  21.477  -5.107  -4.623
  429   2HD2  ASN   8          2HD2      ASN   8  23.383  -6.271  -5.634
  430   1HD2  ASN   8          1HD2      ASN   8  23.414  -6.328  -7.360
  431    H    GLU   9           H        GLU   9  20.719  -3.425  -2.858
  432    HA   GLU   9           HA       GLU   9  18.194  -4.746  -2.622
  433   1HB   GLU   9          1HB       GLU   9  19.648  -3.278  -0.424
  434   2HB   GLU   9          2HB       GLU   9  18.522  -4.618  -0.263
  435   1HG   GLU   9          1HG       GLU   9  20.367  -5.858  -0.071
  436   2HG   GLU   9          2HG       GLU   9  20.427  -5.734  -1.829
  437    H    ILE  10           H        ILE  10  18.990  -1.571  -3.280
  438    HA   ILE  10           HA       ILE  10  16.744  -0.369  -1.899
  439    HB   ILE  10           HB       ILE  10  18.987   0.730  -3.592
  440   1HG1  ILE  10          1HG1      ILE  10  18.259   1.430  -0.756
  441   2HG1  ILE  10          2HG1      ILE  10  19.285   0.052  -1.142
  442   1HG2  ILE  10          1HG2      ILE  10  16.890   1.988  -4.052
  443   2HG2  ILE  10          2HG2      ILE  10  16.812   2.387  -2.334
  444   3HG2  ILE  10          3HG2      ILE  10  18.168   2.951  -3.311
  445   1HD1  ILE  10          1HD1      ILE  10  20.700   1.768  -2.446
  446   2HD1  ILE  10          2HD1      ILE  10  19.832   2.965  -1.485
  447   3HD1  ILE  10          3HD1      ILE  10  20.803   1.728  -0.686
  448    H    SER  11           H        SER  11  17.708  -1.475  -5.056
  449    HA   SER  11           HA       SER  11  15.512  -0.189  -6.420
  450   1HB   SER  11          1HB       SER  11  16.278  -1.696  -8.339
  451   2HB   SER  11          2HB       SER  11  17.456  -0.519  -7.757
  452    HG   SER  11           HG       SER  11  18.678  -2.232  -7.607
  453    H    HIS  12           H        HIS  12  16.206  -3.226  -4.884
  454    HA   HIS  12           HA       HIS  12  13.919  -4.571  -5.993
  455   1HB   HIS  12          1HB       HIS  12  15.352  -6.242  -5.473
  456   2HB   HIS  12          2HB       HIS  12  16.220  -5.257  -4.309
  457    HD1  HIS  12           HD1      HIS  12  13.508  -7.804  -4.584
  458    HD2  HIS  12           HD2      HIS  12  15.377  -5.532  -1.652
  459    HE1  HIS  12           HE1      HIS  12  12.793  -8.817  -2.396
  460    HE2  HIS  12           HE2      HIS  12  13.938  -7.428  -0.631
  461    H    HIS  13           H        HIS  13  14.778  -3.175  -2.803
  462    HA   HIS  13           HA       HIS  13  12.242  -3.720  -1.646
  463   1HB   HIS  13          1HB       HIS  13  14.296  -1.628  -0.923
  464   2HB   HIS  13          2HB       HIS  13  12.886  -2.021   0.048
  465    HD1  HIS  13           HD1      HIS  13  13.259  -5.191  -0.388
  466    HD2  HIS  13           HD2      HIS  13  16.068  -2.463   0.975
  467    HE1  HIS  13           HE1      HIS  13  14.909  -6.546   0.946
  468    HE2  HIS  13           HE2      HIS  13  16.609  -4.874   1.764
  469    H    ALA  14           H        ALA  14  13.468  -1.215  -3.718
  470    HA   ALA  14           HA       ALA  14  11.476   0.736  -3.195
  471   1HB   ALA  14          1HB       ALA  14  13.376   0.275  -5.475
  472   2HB   ALA  14          2HB       ALA  14  13.402   1.545  -4.251
  473   3HB   ALA  14          3HB       ALA  14  12.177   1.568  -5.520
  474    H    LYS  15           H        LYS  15  11.821  -1.723  -5.749
  475    HA   LYS  15           HA       LYS  15   9.334  -1.152  -6.982
  476   1HB   LYS  15          1HB       LYS  15  11.435  -3.178  -7.220
  477   2HB   LYS  15          2HB       LYS  15   9.826  -3.808  -7.546
  478   1HG   LYS  15          1HG       LYS  15  10.677  -1.268  -8.847
  479   2HG   LYS  15          2HG       LYS  15  11.285  -2.806  -9.465
  480   1HD   LYS  15          1HD       LYS  15   8.642  -3.360  -9.200
  481   2HD   LYS  15          2HD       LYS  15   8.588  -1.643  -9.603
  482   1HE   LYS  15          1HE       LYS  15   8.476  -2.855 -11.648
  483   2HE   LYS  15          2HE       LYS  15  10.087  -2.145 -11.546
  484   1HZ   LYS  15          1HZ       LYS  15  10.076  -4.718 -10.372
  485   2HZ   LYS  15          2HZ       LYS  15   9.450  -4.806 -11.940
  486   3HZ   LYS  15          3HZ       LYS  15  10.987  -4.150 -11.679
  487    H    GLU  16           H        GLU  16  10.225  -2.896  -4.148
  488    HA   GLU  16           HA       GLU  16   7.889  -4.539  -4.005
  489   1HB   GLU  16          1HB       GLU  16   9.886  -3.772  -1.870
  490   2HB   GLU  16          2HB       GLU  16   8.652  -5.014  -1.705
  491   1HG   GLU  16          1HG       GLU  16  10.264  -5.433  -4.064
  492   2HG   GLU  16          2HG       GLU  16  11.252  -5.346  -2.606
  493    H    ILE  17           H        ILE  17   8.865  -1.410  -2.641
  494    HA   ILE  17           HA       ILE  17   6.541  -1.177  -0.989
  495    HB   ILE  17           HB       ILE  17   7.333   0.899  -0.327
  496   1HG1  ILE  17          1HG1      ILE  17   9.196   2.035  -1.865
  497   2HG1  ILE  17          2HG1      ILE  17   8.352   1.142  -3.127
  498   1HG2  ILE  17          1HG2      ILE  17   9.151  -1.169  -0.551
  499   2HG2  ILE  17          2HG2      ILE  17  10.038   0.249  -1.112
  500   3HG2  ILE  17          3HG2      ILE  17   9.291   0.252   0.484
  501   1HD1  ILE  17          1HD1      ILE  17   6.323   2.359  -1.700
  502   2HD1  ILE  17          2HD1      ILE  17   7.602   3.572  -1.759
  503   3HD1  ILE  17          3HD1      ILE  17   6.978   2.874  -3.253
  504    H    GLU  18           H        GLU  18   7.385  -0.132  -4.239
  505    HA   GLU  18           HA       GLU  18   5.017   1.442  -4.598
  506   1HB   GLU  18          1HB       GLU  18   7.312   1.556  -5.856
  507   2HB   GLU  18          2HB       GLU  18   6.602   0.314  -6.878
  508   1HG   GLU  18          1HG       GLU  18   4.657   1.882  -7.221
  509   2HG   GLU  18          2HG       GLU  18   5.636   3.123  -6.440
  510    H    ARG  19           H        ARG  19   5.901  -1.883  -4.992
  511    HA   ARG  19           HA       ARG  19   3.765  -2.613  -6.737
  512   1HB   ARG  19          1HB       ARG  19   5.783  -3.973  -6.595
  513   2HB   ARG  19          2HB       ARG  19   5.477  -4.290  -4.892
  514   1HG   ARG  19          1HG       ARG  19   3.217  -5.258  -5.796
  515   2HG   ARG  19          2HG       ARG  19   4.127  -5.396  -7.302
  516   1HD   ARG  19          1HD       ARG  19   5.914  -6.436  -5.583
  517   2HD   ARG  19          2HD       ARG  19   4.418  -6.870  -4.758
  518    HE   ARG  19           HE       ARG  19   5.419  -7.957  -7.228
  519   1HH1  ARG  19          1HH1      ARG  19   2.602  -7.422  -5.254
  520   2HH1  ARG  19          2HH1      ARG  19   1.699  -8.720  -5.962
  521   1HH2  ARG  19          1HH2      ARG  19   4.240  -9.669  -8.168
  522   2HH2  ARG  19          2HH2      ARG  19   2.631  -9.998  -7.619
  523    H    LEU  20           H        LEU  20   4.278  -2.825  -3.219
  524    HA   LEU  20           HA       LEU  20   1.793  -4.062  -2.664
  525   1HB   LEU  20          1HB       LEU  20   3.325  -2.272  -0.785
  526   2HB   LEU  20          2HB       LEU  20   2.227  -3.575  -0.371
  527    HG   LEU  20           HG       LEU  20   4.560  -4.384  -1.977
  528   1HD1  LEU  20          1HD1      LEU  20   5.291  -2.571  -0.239
  529   2HD1  LEU  20          2HD1      LEU  20   5.073  -3.886   0.917
  530   3HD1  LEU  20          3HD1      LEU  20   6.213  -4.063  -0.417
  531   1HD2  LEU  20          1HD2      LEU  20   2.863  -5.421   0.224
  532   2HD2  LEU  20          2HD2      LEU  20   3.401  -6.206  -1.260
  533   3HD2  LEU  20          3HD2      LEU  20   4.512  -6.034   0.100
  534    H    GLN  21           H        GLN  21   2.836  -0.714  -2.911
  535    HA   GLN  21           HA       GLN  21   0.512   0.500  -1.891
  536   1HB   GLN  21          1HB       GLN  21   2.700   1.648  -2.284
  537   2HB   GLN  21          2HB       GLN  21   2.365   1.602  -4.009
  538   1HG   GLN  21          1HG       GLN  21   0.207   2.851  -3.427
  539   2HG   GLN  21          2HG       GLN  21   0.972   3.164  -1.869
  540   2HE2  GLN  21          2HE2      GLN  21   3.622   3.418  -2.813
  541   1HE2  GLN  21          1HE2      GLN  21   3.728   4.892  -3.708
  542    H    LYS  22           H        LYS  22   1.397  -0.612  -5.114
  543    HA   LYS  22           HA       LYS  22  -0.743   0.498  -6.542
  544   1HB   LYS  22          1HB       LYS  22   1.147  -0.448  -7.708
  545   2HB   LYS  22          2HB       LYS  22   0.838  -2.034  -7.015
  546   1HG   LYS  22          1HG       LYS  22  -1.424  -1.898  -8.219
  547   2HG   LYS  22          2HG       LYS  22  -0.691  -0.583  -9.139
  548   1HD   LYS  22          1HD       LYS  22  -0.136  -2.332 -10.494
  549   2HD   LYS  22          2HD       LYS  22   1.258  -2.360  -9.412
  550   1HE   LYS  22          1HE       LYS  22   0.749  -4.419  -8.757
  551   2HE   LYS  22          2HE       LYS  22  -0.856  -3.889  -8.252
  552   1HZ   LYS  22          1HZ       LYS  22  -0.837  -4.081 -11.042
  553   2HZ   LYS  22          2HZ       LYS  22  -0.170  -5.510 -10.430
  554   3HZ   LYS  22          3HZ       LYS  22  -1.711  -5.016  -9.935
  555    H    GLU  23           H        GLU  23  -0.404  -2.686  -4.997
  556    HA   GLU  23           HA       GLU  23  -2.879  -3.747  -5.675
  557   1HB   GLU  23          1HB       GLU  23  -0.759  -4.596  -4.181
  558   2HB   GLU  23          2HB       GLU  23  -1.976  -4.350  -2.936
  559   1HG   GLU  23          1HG       GLU  23  -3.341  -5.703  -4.914
  560   2HG   GLU  23          2HG       GLU  23  -1.742  -6.446  -4.922
  561    H    ILE  24           H        ILE  24  -1.993  -1.716  -2.903
  562    HA   ILE  24           HA       ILE  24  -4.529  -1.753  -1.680
  563    HB   ILE  24           HB       ILE  24  -3.749  -0.252  -0.156
  564   1HG1  ILE  24          1HG1      ILE  24  -1.838   1.470  -1.003
  565   2HG1  ILE  24          2HG1      ILE  24  -2.750   1.264  -2.495
  566   1HG2  ILE  24          1HG2      ILE  24  -1.947  -2.042  -0.778
  567   2HG2  ILE  24          2HG2      ILE  24  -1.012  -0.625  -1.252
  568   3HG2  ILE  24          3HG2      ILE  24  -1.603  -0.778   0.402
  569   1HD1  ILE  24          1HD1      ILE  24  -4.616   1.639  -0.408
  570   2HD1  ILE  24          2HD1      ILE  24  -3.362   2.871  -0.241
  571   3HD1  ILE  24          3HD1      ILE  24  -4.246   2.712  -1.760
  572    H    GLU  25           H        GLU  25  -3.194   0.107  -4.300
  573    HA   GLU  25           HA       GLU  25  -5.087   2.160  -4.460
  574   1HB   GLU  25          1HB       GLU  25  -2.859   1.722  -5.794
  575   2HB   GLU  25          2HB       GLU  25  -3.939   0.944  -6.943
  576   1HG   GLU  25          1HG       GLU  25  -5.206   3.322  -6.452
  577   2HG   GLU  25          2HG       GLU  25  -3.501   3.769  -6.399
  578    H    ARG  26           H        ARG  26  -5.045  -1.084  -5.890
  579    HA   ARG  26           HA       ARG  26  -7.434  -0.856  -7.348
  580   1HB   ARG  26          1HB       ARG  26  -5.882  -2.691  -7.731
  581   2HB   ARG  26          2HB       ARG  26  -6.143  -3.290  -6.098
  582   1HG   ARG  26          1HG       ARG  26  -8.531  -3.672  -6.693
  583   2HG   ARG  26          2HG       ARG  26  -8.128  -3.243  -8.357
  584   1HD   ARG  26          1HD       ARG  26  -7.719  -5.428  -8.623
  585   2HD   ARG  26          2HD       ARG  26  -6.212  -5.097  -7.769
  586    HE   ARG  26           HE       ARG  26  -7.024  -6.244  -5.959
  587   1HH1  ARG  26          1HH1      ARG  26  -9.641  -5.549  -8.148
  588   2HH1  ARG  26          2HH1      ARG  26 -10.783  -6.542  -7.305
  589   1HH2  ARG  26          1HH2      ARG  26  -8.519  -7.556  -4.841
  590   2HH2  ARG  26          2HH2      ARG  26 -10.144  -7.683  -5.424
  591    H    HIS  27           H        HIS  27  -6.765  -1.722  -3.999
  592    HA   HIS  27           HA       HIS  27  -9.434  -2.488  -3.371
  593   1HB   HIS  27          1HB       HIS  27  -6.907  -2.397  -2.041
  594   2HB   HIS  27          2HB       HIS  27  -8.093  -1.575  -1.035
  595    HD1  HIS  27           HD1      HIS  27 -10.320  -3.052  -0.515
  596    HD2  HIS  27           HD2      HIS  27  -6.972  -5.108  -1.870
  597    HE1  HIS  27           HE1      HIS  27 -10.723  -5.462   0.082
  598    HE2  HIS  27           HE2      HIS  27  -8.683  -6.688  -0.748
  599    H    LYS  28           H        LYS  28  -7.792   0.543  -3.650
  600    HA   LYS  28           HA       LYS  28  -9.655   1.999  -2.025
  601   1HB   LYS  28          1HB       LYS  28  -8.382   3.892  -2.442
  602   2HB   LYS  28          2HB       LYS  28  -7.191   2.610  -2.560
  603   1HG   LYS  28          1HG       LYS  28  -6.628   3.340  -4.569
  604   2HG   LYS  28          2HG       LYS  28  -8.257   3.008  -5.153
  605   1HD   LYS  28          1HD       LYS  28  -8.977   5.224  -4.397
  606   2HD   LYS  28          2HD       LYS  28  -7.342   5.554  -3.820
  607   1HE   LYS  28          1HE       LYS  28  -7.057   4.719  -6.477
  608   2HE   LYS  28          2HE       LYS  28  -8.436   5.817  -6.469
  609   1HZ   LYS  28          1HZ       LYS  28  -7.018   7.433  -5.279
  610   2HZ   LYS  28          2HZ       LYS  28  -5.699   6.393  -5.473
  611   3HZ   LYS  28          3HZ       LYS  28  -6.450   7.068  -6.830
  612    H    GLN  29           H        GLN  29  -9.399   1.058  -5.340
  613    HA   GLN  29           HA       GLN  29 -11.281   2.941  -6.376
  614   1HB   GLN  29          1HB       GLN  29  -9.592   1.794  -7.785
  615   2HB   GLN  29          2HB       GLN  29 -10.424   0.271  -7.511
  616   1HG   GLN  29          1HG       GLN  29 -12.427   1.195  -8.598
  617   2HG   GLN  29          2HG       GLN  29 -11.538   2.683  -8.923
  618   2HE2  GLN  29          2HE2      GLN  29 -10.979  -0.809  -9.279
  619   1HE2  GLN  29          1HE2      GLN  29 -10.403  -0.722 -10.905
  620    H    SER  30           H        SER  30 -11.443  -0.431  -5.301
  621    HA   SER  30           HA       SER  30 -14.181  -0.812  -5.919
  622   1HB   SER  30          1HB       SER  30 -14.033  -2.818  -4.567
  623   2HB   SER  30          2HB       SER  30 -12.546  -2.657  -5.503
  624    HG   SER  30           HG       SER  30 -12.204  -3.186  -3.269
  625    H    ILE  31           H        ILE  31 -12.517   0.050  -2.898
  626    HA   ILE  31           HA       ILE  31 -14.897   0.275  -1.353
  627    HB   ILE  31           HB       ILE  31 -12.745  -0.111  -0.288
  628   1HG1  ILE  31          1HG1      ILE  31 -12.811   1.797   1.402
  629   2HG1  ILE  31          2HG1      ILE  31 -14.109   2.484   0.426
  630   1HG2  ILE  31          1HG2      ILE  31 -11.587   1.468  -2.012
  631   2HG2  ILE  31          2HG2      ILE  31 -11.919   2.712  -0.808
  632   3HG2  ILE  31          3HG2      ILE  31 -10.933   1.316  -0.384
  633   1HD1  ILE  31          1HD1      ILE  31 -15.258   0.218   0.730
  634   2HD1  ILE  31          2HD1      ILE  31 -14.083  -0.041   2.020
  635   3HD1  ILE  31          3HD1      ILE  31 -15.203   1.319   2.106
  636    H    LYS  32           H        LYS  32 -13.230   2.393  -3.519
  637    HA   LYS  32           HA       LYS  32 -14.431   4.814  -2.532
  638   1HB   LYS  32          1HB       LYS  32 -12.282   4.973  -3.612
  639   2HB   LYS  32          2HB       LYS  32 -12.900   4.190  -5.060
  640   1HG   LYS  32          1HG       LYS  32 -13.710   6.098  -5.883
  641   2HG   LYS  32          2HG       LYS  32 -14.376   6.594  -4.326
  642   1HD   LYS  32          1HD       LYS  32 -11.465   6.787  -5.094
  643   2HD   LYS  32          2HD       LYS  32 -12.617   8.122  -5.169
  644   1HE   LYS  32          1HE       LYS  32 -13.031   7.804  -2.730
  645   2HE   LYS  32          2HE       LYS  32 -11.731   6.614  -2.713
  646   1HZ   LYS  32          1HZ       LYS  32 -11.337   9.398  -3.645
  647   2HZ   LYS  32          2HZ       LYS  32 -11.108   8.934  -2.035
  648   3HZ   LYS  32          3HZ       LYS  32 -10.153   8.256  -3.254
  649    H    LYS  33           H        LYS  33 -15.244   2.335  -4.804
  650    HA   LYS  33           HA       LYS  33 -17.194   3.875  -6.242
  651   1HB   LYS  33          1HB       LYS  33 -16.451   0.967  -6.146
  652   2HB   LYS  33          2HB       LYS  33 -17.914   1.485  -6.972
  653   1HG   LYS  33          1HG       LYS  33 -16.170   3.184  -8.078
  654   2HG   LYS  33          2HG       LYS  33 -15.083   1.840  -7.721
  655   1HD   LYS  33          1HD       LYS  33 -17.503   0.813  -8.838
  656   2HD   LYS  33          2HD       LYS  33 -16.891   2.102  -9.878
  657   1HE   LYS  33          1HE       LYS  33 -14.611   0.726  -9.306
  658   2HE   LYS  33          2HE       LYS  33 -15.805  -0.570  -9.336
  659   1HZ   LYS  33          1HZ       LYS  33 -16.512   0.622 -11.536
  660   2HZ   LYS  33          2HZ       LYS  33 -14.921   1.193 -11.504
  661   3HZ   LYS  33          3HZ       LYS  33 -15.220  -0.472 -11.524
  662    H    LEU  34           H        LEU  34 -17.261   1.470  -3.646
  663    HA   LEU  34           HA       LEU  34 -20.095   1.404  -3.419
  664   1HB   LEU  34          1HB       LEU  34 -17.803   0.241  -2.050
  665   2HB   LEU  34          2HB       LEU  34 -19.092   0.673  -0.941
  666    HG   LEU  34           HG       LEU  34 -19.627  -0.977  -3.397
  667   1HD1  LEU  34          1HD1      LEU  34 -18.723  -1.921  -0.684
  668   2HD1  LEU  34          2HD1      LEU  34 -19.482  -2.958  -1.892
  669   3HD1  LEU  34          3HD1      LEU  34 -17.930  -2.194  -2.235
  670   1HD2  LEU  34          1HD2      LEU  34 -21.284   0.203  -1.538
  671   2HD2  LEU  34          2HD2      LEU  34 -21.708  -1.134  -2.607
  672   3HD2  LEU  34          3HD2      LEU  34 -21.149  -1.460  -0.966
  673    H    LYS  35           H        LYS  35 -17.555   3.322  -1.937
  674    HA   LYS  35           HA       LYS  35 -19.246   4.529   0.030
  675   1HB   LYS  35          1HB       LYS  35 -16.470   5.010  -0.977
  676   2HB   LYS  35          2HB       LYS  35 -17.253   6.248  -0.006
  677   1HG   LYS  35          1HG       LYS  35 -17.711   4.323   1.657
  678   2HG   LYS  35          2HG       LYS  35 -16.442   3.479   0.766
  679   1HD   LYS  35          1HD       LYS  35 -15.154   5.753   1.135
  680   2HD   LYS  35          2HD       LYS  35 -16.271   5.899   2.493
  681   1HE   LYS  35          1HE       LYS  35 -14.996   3.270   2.233
  682   2HE   LYS  35          2HE       LYS  35 -13.882   4.595   2.571
  683   1HZ   LYS  35          1HZ       LYS  35 -16.340   4.098   4.154
  684   2HZ   LYS  35          2HZ       LYS  35 -14.828   3.460   4.566
  685   3HZ   LYS  35          3HZ       LYS  35 -15.059   5.136   4.534
  686    H    GLN  36           H        GLN  36 -18.204   5.338  -3.224
  687    HA   GLN  36           HA       GLN  36 -19.223   7.991  -3.230
  688   1HB   GLN  36          1HB       GLN  36 -17.493   7.046  -4.814
  689   2HB   GLN  36          2HB       GLN  36 -18.808   6.214  -5.634
  690   1HG   GLN  36          1HG       GLN  36 -19.800   8.249  -6.312
  691   2HG   GLN  36          2HG       GLN  36 -18.759   9.190  -5.245
  692   2HE2  GLN  36          2HE2      GLN  36 -16.399   9.012  -5.711
  693   1HE2  GLN  36          1HE2      GLN  36 -15.916   8.979  -7.370
  694    H    SER  37           H        SER  37 -20.606   4.853  -3.802
  695    HA   SER  37           HA       SER  37 -22.935   5.721  -5.179
  696   1HB   SER  37          1HB       SER  37 -22.562   3.216  -3.520
  697   2HB   SER  37          2HB       SER  37 -23.801   3.487  -4.746
  698    HG   SER  37           HG       SER  37 -21.373   2.517  -5.090
  699    H    GLU  38           H        GLU  38 -22.009   5.609  -1.844
  700    HA   GLU  38           HA       GLU  38 -24.714   5.880  -0.852
  701   1HB   GLU  38          1HB       GLU  38 -22.987   4.661   0.435
  702   2HB   GLU  38          2HB       GLU  38 -22.078   6.156   0.605
  703   1HG   GLU  38          1HG       GLU  38 -24.631   6.772   1.516
  704   2HG   GLU  38          2HG       GLU  38 -24.296   5.162   2.151
  705    H    ASP  39           H        ASP  39 -22.089   7.937  -1.776
  706    HA   ASP  39           HA       ASP  39 -23.168  10.266  -0.429
  707   1HB   ASP  39          1HB       ASP  39 -20.662   9.542  -1.698
  708   2HB   ASP  39          2HB       ASP  39 -21.221  11.120  -2.243
  709    H    ASP  40           H        ASP  40 -23.375   8.741  -3.520
  710    HA   ASP  40           HA       ASP  40 -23.935  10.804  -5.246
  711   1HB   ASP  40          1HB       ASP  40 -24.085   8.062  -5.369
  712   2HB   ASP  40          2HB       ASP  40 -25.772   8.535  -5.551
  713    H    ASP  41           H        ASP  41 -25.120  12.514  -4.580
  714    HA   ASP  41           HA       ASP  41 -27.501  12.282  -3.036
  715   1HB   ASP  41          1HB       ASP  41 -26.765  14.687  -4.692
  716   2HB   ASP  41          2HB       ASP  41 -27.645  14.634  -3.168

  No H/Q in entry =         716
  Start of MODEL   30
    1    H1   ALA   1           H1       ALA   1 -26.573   9.551   7.726
    2    H2   ALA   1           H2       ALA   1 -24.889   9.320   7.961
    3    H3   ALA   1           H3       ALA   1 -25.453  10.152   6.572
    4    HA   ALA   1           HA       ALA   1 -24.992   8.134   5.731
    5   1HB   ALA   1          1HB       ALA   1 -24.365   6.665   7.307
    6   2HB   ALA   1          2HB       ALA   1 -26.038   6.115   7.217
    7   3HB   ALA   1          3HB       ALA   1 -25.551   7.254   8.472
    8    H    LEU   2           H        LEU   2 -26.453   6.338   4.868
    9    HA   LEU   2           HA       LEU   2 -29.293   6.984   5.020
   10   1HB   LEU   2          1HB       LEU   2 -27.904   6.787   2.355
   11   2HB   LEU   2          2HB       LEU   2 -29.573   7.227   2.661
   12    HG   LEU   2           HG       LEU   2 -28.249   9.163   4.057
   13   1HD1  LEU   2          1HD1      LEU   2 -26.228   8.009   2.618
   14   2HD1  LEU   2          2HD1      LEU   2 -26.727   9.340   1.573
   15   3HD1  LEU   2          3HD1      LEU   2 -26.233   9.662   3.236
   16   1HD2  LEU   2          1HD2      LEU   2 -30.142   9.342   2.417
   17   2HD2  LEU   2          2HD2      LEU   2 -28.957  10.646   2.337
   18   3HD2  LEU   2          3HD2      LEU   2 -28.936   9.359   1.131
   19    H    LYS   3           H        LYS   3 -26.851   4.943   3.432
   20    HA   LYS   3           HA       LYS   3 -28.740   2.699   3.510
   21   1HB   LYS   3          1HB       LYS   3 -26.176   3.114   1.969
   22   2HB   LYS   3          2HB       LYS   3 -27.059   1.593   1.991
   23   1HG   LYS   3          1HG       LYS   3 -28.118   2.371   0.197
   24   2HG   LYS   3          2HG       LYS   3 -29.005   3.403   1.320
   25   1HD   LYS   3          1HD       LYS   3 -27.550   5.234   0.927
   26   2HD   LYS   3          2HD       LYS   3 -26.386   4.214   0.079
   27   1HE   LYS   3          1HE       LYS   3 -28.128   3.804  -1.662
   28   2HE   LYS   3          2HE       LYS   3 -29.147   4.991  -0.847
   29   1HZ   LYS   3          1HZ       LYS   3 -26.589   6.089  -1.287
   30   2HZ   LYS   3          2HZ       LYS   3 -27.176   5.463  -2.746
   31   3HZ   LYS   3          3HZ       LYS   3 -28.081   6.608  -1.891
   32    H    LYS   4           H        LYS   4 -27.608   0.508   3.867
   33    HA   LYS   4           HA       LYS   4 -25.716   0.764   6.113
   34   1HB   LYS   4          1HB       LYS   4 -26.862  -1.488   6.825
   35   2HB   LYS   4          2HB       LYS   4 -27.603   0.054   7.229
   36   1HG   LYS   4          1HG       LYS   4 -28.948  -0.217   5.083
   37   2HG   LYS   4          2HG       LYS   4 -28.391  -1.892   5.089
   38   1HD   LYS   4          1HD       LYS   4 -30.525  -1.840   6.155
   39   2HD   LYS   4          2HD       LYS   4 -29.311  -2.096   7.410
   40   1HE   LYS   4          1HE       LYS   4 -30.280  -0.397   8.485
   41   2HE   LYS   4          2HE       LYS   4 -29.510   0.644   7.288
   42   1HZ   LYS   4          1HZ       LYS   4 -32.241  -0.504   7.070
   43   2HZ   LYS   4          2HZ       LYS   4 -31.876   1.098   7.475
   44   3HZ   LYS   4          3HZ       LYS   4 -31.502   0.509   5.933
   45    H    HIS   5           H        HIS   5 -26.960  -1.516   3.671
   46    HA   HIS   5           HA       HIS   5 -25.015  -3.456   3.818
   47   1HB   HIS   5          1HB       HIS   5 -25.536  -3.966   1.460
   48   2HB   HIS   5          2HB       HIS   5 -26.993  -3.689   2.410
   49    HD1  HIS   5           HD1      HIS   5 -26.515  -3.301  -0.782
   50    HD2  HIS   5           HD2      HIS   5 -26.909  -0.347   2.113
   51    HE1  HIS   5           HE1      HIS   5 -27.288  -1.251  -2.016
   52    HE2  HIS   5           HE2      HIS   5 -27.521   0.525  -0.244
   53    H    HIS   6           H        HIS   6 -24.842  -0.289   2.337
   54    HA   HIS   6           HA       HIS   6 -22.500  -0.672   0.826
   55   1HB   HIS   6          1HB       HIS   6 -23.789   1.774   2.027
   56   2HB   HIS   6          2HB       HIS   6 -22.280   1.877   1.127
   57    HD1  HIS   6           HD1      HIS   6 -24.372  -0.667  -0.347
   58    HD2  HIS   6           HD2      HIS   6 -24.089   3.471  -0.600
   59    HE1  HIS   6           HE1      HIS   6 -25.585  -0.039  -2.458
   60    HE2  HIS   6           HE2      HIS   6 -25.401   2.471  -2.592
   61    H    GLU   7           H        GLU   7 -22.894   0.849   4.029
   62    HA   GLU   7           HA       GLU   7 -20.242   1.229   4.652
   63   1HB   GLU   7          1HB       GLU   7 -22.738   0.911   6.185
   64   2HB   GLU   7          2HB       GLU   7 -21.271   0.550   7.084
   65   1HG   GLU   7          1HG       GLU   7 -20.406   2.796   6.268
   66   2HG   GLU   7          2HG       GLU   7 -22.064   3.126   5.769
   67    H    ASN   8           H        ASN   8 -22.029  -1.732   4.480
   68    HA   ASN   8           HA       ASN   8 -20.332  -3.332   6.097
   69   1HB   ASN   8          1HB       ASN   8 -22.037  -4.265   3.780
   70   2HB   ASN   8          2HB       ASN   8 -21.482  -5.224   5.150
   71   2HD2  ASN   8          2HD2      ASN   8 -23.964  -5.525   4.932
   72   1HD2  ASN   8          1HD2      ASN   8 -24.910  -4.518   5.969
   73    H    GLU   9           H        GLU   9 -20.652  -3.199   2.535
   74    HA   GLU   9           HA       GLU   9 -18.223  -4.629   2.099
   75   1HB   GLU   9          1HB       GLU   9 -19.561  -2.812   0.102
   76   2HB   GLU   9          2HB       GLU   9 -18.575  -4.233  -0.215
   77   1HG   GLU   9          1HG       GLU   9 -20.464  -5.366  -0.417
   78   2HG   GLU   9          2HG       GLU   9 -20.657  -5.198   1.327
   79    H    ILE  10           H        ILE  10 -18.805  -1.481   3.092
   80    HA   ILE  10           HA       ILE  10 -16.494  -0.284   1.831
   81    HB   ILE  10           HB       ILE  10 -18.633   0.736   3.696
   82   1HG1  ILE  10          1HG1      ILE  10 -17.872   1.632   0.918
   83   2HG1  ILE  10          2HG1      ILE  10 -19.112   0.427   1.253
   84   1HG2  ILE  10          1HG2      ILE  10 -16.466   1.794   4.284
   85   2HG2  ILE  10          2HG2      ILE  10 -16.357   2.390   2.627
   86   3HG2  ILE  10          3HG2      ILE  10 -17.675   2.922   3.674
   87   1HD1  ILE  10          1HD1      ILE  10 -19.307   3.072   2.591
   88   2HD1  ILE  10          2HD1      ILE  10 -19.718   2.950   0.880
   89   3HD1  ILE  10          3HD1      ILE  10 -20.580   1.970   2.067
   90    H    SER  11           H        SER  11 -17.466  -1.711   4.850
   91    HA   SER  11           HA       SER  11 -15.182  -0.734   6.318
   92   1HB   SER  11          1HB       SER  11 -17.664  -1.806   7.023
   93   2HB   SER  11          2HB       SER  11 -16.502  -3.046   7.494
   94    HG   SER  11           HG       SER  11 -15.350  -1.039   8.404
   95    H    HIS  12           H        HIS  12 -16.085  -3.534   4.462
   96    HA   HIS  12           HA       HIS  12 -13.866  -5.126   5.358
   97   1HB   HIS  12          1HB       HIS  12 -15.397  -6.645   4.683
   98   2HB   HIS  12          2HB       HIS  12 -16.234  -5.482   3.670
   99    HD1  HIS  12           HD1      HIS  12 -13.606  -8.145   3.560
  100    HD2  HIS  12           HD2      HIS  12 -15.537  -5.532   0.975
  101    HE1  HIS  12           HE1      HIS  12 -13.024  -8.942   1.246
  102    HE2  HIS  12           HE2      HIS  12 -14.207  -7.347  -0.307
  103    H    HIS  13           H        HIS  13 -14.666  -3.266   2.410
  104    HA   HIS  13           HA       HIS  13 -12.176  -3.846   1.140
  105   1HB   HIS  13          1HB       HIS  13 -14.119  -1.584   0.657
  106   2HB   HIS  13          2HB       HIS  13 -12.753  -1.974  -0.376
  107    HD1  HIS  13           HD1      HIS  13 -13.299  -5.132  -0.265
  108    HD2  HIS  13           HD2      HIS  13 -15.997  -2.134  -1.233
  109    HE1  HIS  13           HE1      HIS  13 -15.059  -6.250  -1.675
  110    HE2  HIS  13           HE2      HIS  13 -16.692  -4.415  -2.250
  111    H    ALA  14           H        ALA  14 -13.239  -1.546   3.504
  112    HA   ALA  14           HA       ALA  14 -11.153   0.357   3.133
  113   1HB   ALA  14          1HB       ALA  14 -13.056  -0.194   5.396
  114   2HB   ALA  14          2HB       ALA  14 -11.825   1.065   5.484
  115   3HB   ALA  14          3HB       ALA  14 -13.077   1.140   4.243
  116    H    LYS  15           H        LYS  15 -11.612  -2.396   5.332
  117    HA   LYS  15           HA       LYS  15  -9.143  -2.030   6.695
  118   1HB   LYS  15          1HB       LYS  15 -11.124  -3.368   7.526
  119   2HB   LYS  15          2HB       LYS  15 -10.665  -4.621   6.380
  120   1HG   LYS  15          1HG       LYS  15  -8.803  -5.222   7.566
  121   2HG   LYS  15          2HG       LYS  15  -8.623  -3.628   8.302
  122   1HD   LYS  15          1HD       LYS  15 -10.743  -4.118   9.585
  123   2HD   LYS  15          2HD       LYS  15 -10.611  -5.779   9.003
  124   1HE   LYS  15          1HE       LYS  15  -8.247  -5.741   9.974
  125   2HE   LYS  15          2HE       LYS  15  -8.746  -4.272  10.813
  126   1HZ   LYS  15          1HZ       LYS  15 -10.675  -6.325  11.147
  127   2HZ   LYS  15          2HZ       LYS  15  -9.150  -6.873  11.631
  128   3HZ   LYS  15          3HZ       LYS  15  -9.807  -5.476  12.324
  129    H    GLU  16           H        GLU  16 -10.097  -3.561   3.736
  130    HA   GLU  16           HA       GLU  16  -7.803  -5.192   3.381
  131   1HB   GLU  16          1HB       GLU  16 -10.173  -4.464   1.859
  132   2HB   GLU  16          2HB       GLU  16  -8.747  -4.582   0.838
  133   1HG   GLU  16          1HG       GLU  16 -10.105  -6.678   1.074
  134   2HG   GLU  16          2HG       GLU  16  -8.384  -6.833   1.427
  135    H    ILE  17           H        ILE  17  -8.680  -1.937   2.204
  136    HA   ILE  17           HA       ILE  17  -6.302  -1.580   0.714
  137    HB   ILE  17           HB       ILE  17  -6.988   0.580   0.282
  138   1HG1  ILE  17          1HG1      ILE  17  -8.695   1.753   1.877
  139   2HG1  ILE  17          2HG1      ILE  17  -8.122   0.589   3.067
  140   1HG2  ILE  17          1HG2      ILE  17  -8.979  -1.375   0.362
  141   2HG2  ILE  17          2HG2      ILE  17  -9.729   0.105   0.953
  142   3HG2  ILE  17          3HG2      ILE  17  -8.936   0.086  -0.618
  143   1HD1  ILE  17          1HD1      ILE  17  -5.812   1.651   1.955
  144   2HD1  ILE  17          2HD1      ILE  17  -6.903   3.025   2.141
  145   3HD1  ILE  17          3HD1      ILE  17  -6.503   2.022   3.535
  146    H    GLU  18           H        GLU  18  -7.185  -0.800   4.043
  147    HA   GLU  18           HA       GLU  18  -4.814   0.608   4.681
  148   1HB   GLU  18          1HB       GLU  18  -7.124   0.357   5.953
  149   2HB   GLU  18          2HB       GLU  18  -6.277  -0.953   6.764
  150   1HG   GLU  18          1HG       GLU  18  -4.476   0.674   7.344
  151   2HG   GLU  18          2HG       GLU  18  -5.503   1.950   6.692
  152    H    ARG  19           H        ARG  19  -5.594  -2.755   4.431
  153    HA   ARG  19           HA       ARG  19  -3.479  -3.768   6.032
  154   1HB   ARG  19          1HB       ARG  19  -5.676  -4.854   4.799
  155   2HB   ARG  19          2HB       ARG  19  -4.359  -5.471   3.811
  156   1HG   ARG  19          1HG       ARG  19  -3.638  -6.858   5.415
  157   2HG   ARG  19          2HG       ARG  19  -3.920  -5.684   6.702
  158   1HD   ARG  19          1HD       ARG  19  -6.201  -6.247   6.857
  159   2HD   ARG  19          2HD       ARG  19  -6.173  -7.112   5.320
  160    HE   ARG  19           HE       ARG  19  -5.381  -8.122   7.900
  161   1HH1  ARG  19          1HH1      ARG  19  -5.101  -8.488   4.449
  162   2HH1  ARG  19          2HH1      ARG  19  -4.669 -10.164   4.531
  163   1HH2  ARG  19          1HH2      ARG  19  -4.813 -10.327   8.020
  164   2HH2  ARG  19          2HH2      ARG  19  -4.506 -11.210   6.562
  165    H    LEU  20           H        LEU  20  -3.833  -3.322   2.508
  166    HA   LEU  20           HA       LEU  20  -1.200  -4.245   1.933
  167   1HB   LEU  20          1HB       LEU  20  -3.351  -2.862   0.393
  168   2HB   LEU  20          2HB       LEU  20  -1.730  -2.914  -0.275
  169    HG   LEU  20           HG       LEU  20  -3.322  -4.724  -1.047
  170   1HD1  LEU  20          1HD1      LEU  20  -0.638  -4.729  -0.754
  171   2HD1  LEU  20          2HD1      LEU  20  -1.070  -6.154   0.191
  172   3HD1  LEU  20          3HD1      LEU  20  -1.554  -6.038  -1.501
  173   1HD2  LEU  20          1HD2      LEU  20  -4.269  -5.104   1.246
  174   2HD2  LEU  20          2HD2      LEU  20  -3.786  -6.565   0.384
  175   3HD2  LEU  20          3HD2      LEU  20  -2.757  -5.913   1.660
  176    H    GLN  21           H        GLN  21  -2.552  -1.205   2.881
  177    HA   GLN  21           HA       GLN  21  -0.331   0.388   1.994
  178   1HB   GLN  21          1HB       GLN  21  -2.474   1.462   2.178
  179   2HB   GLN  21          2HB       GLN  21  -2.638   0.964   3.857
  180   1HG   GLN  21          1HG       GLN  21  -1.298   2.614   4.625
  181   2HG   GLN  21          2HG       GLN  21  -0.283   2.616   3.183
  182   2HE2  GLN  21          2HE2      GLN  21  -3.636   3.324   4.118
  183   1HE2  GLN  21          1HE2      GLN  21  -3.778   4.758   3.165
  184    H    LYS  22           H        LYS  22  -1.230  -1.342   4.881
  185    HA   LYS  22           HA       LYS  22   0.666  -0.118   6.617
  186   1HB   LYS  22          1HB       LYS  22  -1.456  -1.707   7.051
  187   2HB   LYS  22          2HB       LYS  22  -0.184  -2.919   7.117
  188   1HG   LYS  22          1HG       LYS  22   0.759  -0.825   8.682
  189   2HG   LYS  22          2HG       LYS  22  -0.956  -0.952   9.076
  190   1HD   LYS  22          1HD       LYS  22  -0.127  -2.488  10.544
  191   2HD   LYS  22          2HD       LYS  22  -0.369  -3.535   9.145
  192   1HE   LYS  22          1HE       LYS  22   1.804  -3.987   9.044
  193   2HE   LYS  22          2HE       LYS  22   2.200  -2.270   8.989
  194   1HZ   LYS  22          1HZ       LYS  22   1.702  -2.469  11.544
  195   2HZ   LYS  22          2HZ       LYS  22   2.119  -4.087  11.281
  196   3HZ   LYS  22          3HZ       LYS  22   3.225  -2.861  10.915
  197    H    GLU  23           H        GLU  23   0.655  -3.031   4.614
  198    HA   GLU  23           HA       GLU  23   3.170  -4.012   5.433
  199   1HB   GLU  23          1HB       GLU  23   1.216  -5.058   3.953
  200   2HB   GLU  23          2HB       GLU  23   2.235  -4.480   2.641
  201   1HG   GLU  23          1HG       GLU  23   3.462  -6.304   2.827
  202   2HG   GLU  23          2HG       GLU  23   3.934  -5.800   4.450
  203    H    ILE  24           H        ILE  24   2.213  -1.964   2.683
  204    HA   ILE  24           HA       ILE  24   4.805  -1.699   1.598
  205    HB   ILE  24           HB       ILE  24   2.804  -1.130   0.314
  206   1HG1  ILE  24          1HG1      ILE  24   5.081  -0.059  -0.125
  207   2HG1  ILE  24          2HG1      ILE  24   3.681   0.723  -0.846
  208   1HG2  ILE  24          1HG2      ILE  24   1.526  -0.162   2.183
  209   2HG2  ILE  24          2HG2      ILE  24   2.537   1.280   2.092
  210   3HG2  ILE  24          3HG2      ILE  24   1.504   0.838   0.731
  211   1HD1  ILE  24          1HD1      ILE  24   4.067   1.912   1.673
  212   2HD1  ILE  24          2HD1      ILE  24   5.648   1.806   0.896
  213   3HD1  ILE  24          3HD1      ILE  24   4.315   2.621   0.077
  214    H    GLU  25           H        GLU  25   3.170  -0.150   4.238
  215    HA   GLU  25           HA       GLU  25   4.774   2.156   4.470
  216   1HB   GLU  25          1HB       GLU  25   2.604   1.833   5.633
  217   2HB   GLU  25          2HB       GLU  25   3.364   0.635   6.671
  218   1HG   GLU  25          1HG       GLU  25   4.677   2.232   7.753
  219   2HG   GLU  25          2HG       GLU  25   4.411   3.435   6.492
  220    H    ARG  26           H        ARG  26   5.001  -1.046   6.004
  221    HA   ARG  26           HA       ARG  26   7.318  -0.497   7.516
  222   1HB   ARG  26          1HB       ARG  26   5.760  -2.438   7.855
  223   2HB   ARG  26          2HB       ARG  26   6.461  -3.182   6.425
  224   1HG   ARG  26          1HG       ARG  26   8.708  -2.766   7.757
  225   2HG   ARG  26          2HG       ARG  26   7.607  -2.818   9.135
  226   1HD   ARG  26          1HD       ARG  26   6.885  -4.954   7.455
  227   2HD   ARG  26          2HD       ARG  26   8.644  -4.976   7.555
  228    HE   ARG  26           HE       ARG  26   7.697  -4.654  10.139
  229   1HH1  ARG  26          1HH1      ARG  26   7.515  -7.031   7.601
  230   2HH1  ARG  26          2HH1      ARG  26   7.365  -8.371   8.687
  231   1HH2  ARG  26          1HH2      ARG  26   7.502  -6.412  11.581
  232   2HH2  ARG  26          2HH2      ARG  26   7.357  -8.019  10.951
  233    H    HIS  27           H        HIS  27   6.844  -1.786   4.258
  234    HA   HIS  27           HA       HIS  27   9.601  -2.313   3.790
  235   1HB   HIS  27          1HB       HIS  27   7.153  -2.769   2.451
  236   2HB   HIS  27          2HB       HIS  27   8.159  -1.832   1.354
  237    HD1  HIS  27           HD1      HIS  27  10.378  -2.943   0.542
  238    HD2  HIS  27           HD2      HIS  27   7.973  -5.384   2.892
  239    HE1  HIS  27           HE1      HIS  27  11.289  -5.268   0.245
  240    HE2  HIS  27           HE2      HIS  27   9.819  -6.731   1.677
  241    H    LYS  28           H        LYS  28   7.668   0.520   3.765
  242    HA   LYS  28           HA       LYS  28   9.288   2.017   1.934
  243   1HB   LYS  28          1HB       LYS  28   6.834   2.443   2.471
  244   2HB   LYS  28          2HB       LYS  28   7.388   3.143   3.985
  245   1HG   LYS  28          1HG       LYS  28   8.834   4.677   2.558
  246   2HG   LYS  28          2HG       LYS  28   7.864   4.122   1.191
  247   1HD   LYS  28          1HD       LYS  28   6.779   5.412   3.695
  248   2HD   LYS  28          2HD       LYS  28   7.017   6.227   2.148
  249   1HE   LYS  28          1HE       LYS  28   5.401   3.733   2.180
  250   2HE   LYS  28          2HE       LYS  28   4.677   5.196   2.849
  251   1HZ   LYS  28          1HZ       LYS  28   5.870   5.026   0.136
  252   2HZ   LYS  28          2HZ       LYS  28   4.219   4.847   0.457
  253   3HZ   LYS  28          3HZ       LYS  28   4.988   6.318   0.783
  254    H    GLN  29           H        GLN  29   9.142   1.500   5.388
  255    HA   GLN  29           HA       GLN  29  10.931   3.608   6.088
  256   1HB   GLN  29          1HB       GLN  29   9.368   2.677   7.721
  257   2HB   GLN  29          2HB       GLN  29  10.151   1.107   7.600
  258   1HG   GLN  29          1HG       GLN  29  12.250   2.198   8.427
  259   2HG   GLN  29          2HG       GLN  29  11.289   3.642   8.742
  260   2HE2  GLN  29          2HE2      GLN  29  12.384   0.730   9.974
  261   1HE2  GLN  29          1HE2      GLN  29  11.369   0.636  11.368
  262    H    SER  30           H        SER  30  11.280   0.166   5.389
  263    HA   SER  30           HA       SER  30  14.043   0.023   6.068
  264   1HB   SER  30          1HB       SER  30  13.974  -2.181   5.297
  265   2HB   SER  30          2HB       SER  30  12.302  -1.895   5.784
  266    HG   SER  30           HG       SER  30  13.268  -2.526   3.362
  267    H    ILE  31           H        ILE  31  12.299   0.474   3.015
  268    HA   ILE  31           HA       ILE  31  14.650   0.545   1.398
  269    HB   ILE  31           HB       ILE  31  12.531  -0.059   0.412
  270   1HG1  ILE  31          1HG1      ILE  31  12.430   1.662  -1.470
  271   2HG1  ILE  31          2HG1      ILE  31  13.700   2.529  -0.608
  272   1HG2  ILE  31          1HG2      ILE  31  11.445   1.874   1.990
  273   2HG2  ILE  31          2HG2      ILE  31  11.385   2.638   0.403
  274   3HG2  ILE  31          3HG2      ILE  31  10.612   1.076   0.659
  275   1HD1  ILE  31          1HD1      ILE  31  14.993   0.325  -0.710
  276   2HD1  ILE  31          2HD1      ILE  31  13.808  -0.149  -1.925
  277   3HD1  ILE  31          3HD1      ILE  31  14.828   1.264  -2.194
  278    H    LYS  32           H        LYS  32  12.945   2.868   3.309
  279    HA   LYS  32           HA       LYS  32  14.036   5.181   1.994
  280   1HB   LYS  32          1HB       LYS  32  11.885   5.307   3.161
  281   2HB   LYS  32          2HB       LYS  32  12.673   4.897   4.680
  282   1HG   LYS  32          1HG       LYS  32  13.087   7.033   5.062
  283   2HG   LYS  32          2HG       LYS  32  14.002   7.146   3.557
  284   1HD   LYS  32          1HD       LYS  32  12.146   8.769   3.665
  285   2HD   LYS  32          2HD       LYS  32  11.979   7.636   2.323
  286   1HE   LYS  32          1HE       LYS  32  10.681   6.425   4.477
  287   2HE   LYS  32          2HE       LYS  32  10.213   8.124   4.553
  288   1HZ   LYS  32          1HZ       LYS  32   9.576   7.966   2.193
  289   2HZ   LYS  32          2HZ       LYS  32   9.916   6.310   2.221
  290   3HZ   LYS  32          3HZ       LYS  32   8.671   6.935   3.182
  291    H    LYS  33           H        LYS  33  14.834   3.187   4.767
  292    HA   LYS  33           HA       LYS  33  16.859   4.917   5.793
  293   1HB   LYS  33          1HB       LYS  33  15.723   3.247   7.201
  294   2HB   LYS  33          2HB       LYS  33  16.429   1.956   6.239
  295   1HG   LYS  33          1HG       LYS  33  18.687   3.073   6.916
  296   2HG   LYS  33          2HG       LYS  33  17.721   3.765   8.221
  297   1HD   LYS  33          1HD       LYS  33  17.708   0.821   7.618
  298   2HD   LYS  33          2HD       LYS  33  18.912   1.551   8.684
  299   1HE   LYS  33          1HE       LYS  33  17.241   2.281  10.208
  300   2HE   LYS  33          2HE       LYS  33  15.947   1.885   9.077
  301   1HZ   LYS  33          1HZ       LYS  33  17.737  -0.263   9.951
  302   2HZ   LYS  33          2HZ       LYS  33  16.563   0.288  11.035
  303   3HZ   LYS  33          3HZ       LYS  33  16.101  -0.329   9.530
  304    H    LEU  34           H        LEU  34  16.748   2.299   3.481
  305    HA   LEU  34           HA       LEU  34  19.558   1.897   3.294
  306   1HB   LEU  34          1HB       LEU  34  17.504   0.436   2.493
  307   2HB   LEU  34          2HB       LEU  34  17.737   1.326   1.001
  308    HG   LEU  34           HG       LEU  34  18.956  -0.630   0.669
  309   1HD1  LEU  34          1HD1      LEU  34  20.245   1.595   0.409
  310   2HD1  LEU  34          2HD1      LEU  34  21.154   1.042   1.816
  311   3HD1  LEU  34          3HD1      LEU  34  21.135   0.074   0.342
  312   1HD2  LEU  34          1HD2      LEU  34  19.054  -0.709   3.481
  313   2HD2  LEU  34          2HD2      LEU  34  19.550  -1.958   2.339
  314   3HD2  LEU  34          3HD2      LEU  34  20.722  -0.768   2.910
  315    H    LYS  35           H        LYS  35  17.213   3.791   1.430
  316    HA   LYS  35           HA       LYS  35  19.136   4.763  -0.441
  317   1HB   LYS  35          1HB       LYS  35  16.792   4.673  -1.049
  318   2HB   LYS  35          2HB       LYS  35  16.370   5.749   0.276
  319   1HG   LYS  35          1HG       LYS  35  17.969   7.415  -0.900
  320   2HG   LYS  35          2HG       LYS  35  17.735   6.374  -2.304
  321   1HD   LYS  35          1HD       LYS  35  15.422   7.473  -0.734
  322   2HD   LYS  35          2HD       LYS  35  16.170   8.377  -2.053
  323   1HE   LYS  35          1HE       LYS  35  15.517   6.819  -3.654
  324   2HE   LYS  35          2HE       LYS  35  15.263   5.552  -2.455
  325   1HZ   LYS  35          1HZ       LYS  35  13.362   6.870  -1.615
  326   2HZ   LYS  35          2HZ       LYS  35  13.566   7.944  -2.906
  327   3HZ   LYS  35          3HZ       LYS  35  13.152   6.330  -3.203
  328    H    GLN  36           H        GLN  36  18.074   5.736   2.708
  329    HA   GLN  36           HA       GLN  36  19.069   8.421   2.548
  330   1HB   GLN  36          1HB       GLN  36  17.246   7.470   4.122
  331   2HB   GLN  36          2HB       GLN  36  18.594   6.928   5.112
  332   1HG   GLN  36          1HG       GLN  36  19.399   9.307   5.131
  333   2HG   GLN  36          2HG       GLN  36  17.866   9.749   4.379
  334   2HE2  GLN  36          2HE2      GLN  36  17.974  11.051   6.479
  335   1HE2  GLN  36          1HE2      GLN  36  17.197  10.338   7.847
  336    H    SER  37           H        SER  37  20.353   5.313   3.430
  337    HA   SER  37           HA       SER  37  22.633   6.270   4.845
  338   1HB   SER  37          1HB       SER  37  21.490   3.740   4.214
  339   2HB   SER  37          2HB       SER  37  23.167   3.720   3.672
  340    HG   SER  37           HG       SER  37  23.834   3.853   5.685
  341    H    GLU  38           H        GLU  38  21.859   5.815   1.501
  342    HA   GLU  38           HA       GLU  38  24.569   5.804   0.560
  343   1HB   GLU  38          1HB       GLU  38  22.889   4.734  -0.788
  344   2HB   GLU  38          2HB       GLU  38  21.931   6.207  -0.852
  345   1HG   GLU  38          1HG       GLU  38  24.625   6.598  -1.851
  346   2HG   GLU  38          2HG       GLU  38  23.749   5.347  -2.732
  347    H    ASP  39           H        ASP  39  22.211   8.216   1.345
  348    HA   ASP  39           HA       ASP  39  24.075  10.297   0.411
  349   1HB   ASP  39          1HB       ASP  39  21.409   9.889  -0.415
  350   2HB   ASP  39          2HB       ASP  39  21.384  11.297   0.641
  351    H    ASP  40           H        ASP  40  23.791   8.940   3.030
  352    HA   ASP  40           HA       ASP  40  23.916   9.484   5.234
  353   1HB   ASP  40          1HB       ASP  40  23.839  12.398   4.489
  354   2HB   ASP  40          2HB       ASP  40  24.677  11.626   5.832
  355    H    ASP  41           H        ASP  41  22.764  10.834   6.997
  356    HA   ASP  41           HA       ASP  41  19.943  10.492   6.584
  357   1HB   ASP  41          1HB       ASP  41  19.713  11.011   8.928
  358   2HB   ASP  41          2HB       ASP  41  21.100   9.943   8.730
  359    H1   ALA   1           H1       ALA   1  26.574   9.561  -7.708
  360    H2   ALA   1           H2       ALA   1  24.889   9.329  -7.943
  361    H3   ALA   1           H3       ALA   1  25.454  10.160  -6.553
  362    HA   ALA   1           HA       ALA   1  24.993   8.140  -5.715
  363   1HB   ALA   1          1HB       ALA   1  25.552   7.266  -8.458
  364   2HB   ALA   1          2HB       ALA   1  24.366   6.674  -7.294
  365   3HB   ALA   1          3HB       ALA   1  26.039   6.124  -7.205
  366    H    LEU   2           H        LEU   2  26.454   6.342  -4.855
  367    HA   LEU   2           HA       LEU   2  29.295   6.990  -5.006
  368   1HB   LEU   2          1HB       LEU   2  27.904   6.788  -2.341
  369   2HB   LEU   2          2HB       LEU   2  29.573   7.228  -2.646
  370    HG   LEU   2           HG       LEU   2  28.250   9.166  -4.039
  371   1HD1  LEU   2          1HD1      LEU   2  26.229   8.011  -2.603
  372   2HD1  LEU   2          2HD1      LEU   2  26.727   9.340  -1.556
  373   3HD1  LEU   2          3HD1      LEU   2  26.233   9.665  -3.218
  374   1HD2  LEU   2          1HD2      LEU   2  30.142   9.343  -2.400
  375   2HD2  LEU   2          2HD2      LEU   2  28.957  10.647  -2.318
  376   3HD2  LEU   2          3HD2      LEU   2  28.936   9.359  -1.114
  377    H    LYS   3           H        LYS   3  26.851   4.945  -3.421
  378    HA   LYS   3           HA       LYS   3  28.741   2.702  -3.503
  379   1HB   LYS   3          1HB       LYS   3  26.177   3.114  -1.961
  380   2HB   LYS   3          2HB       LYS   3  27.059   1.593  -1.985
  381   1HG   LYS   3          1HG       LYS   3  28.118   2.369  -0.191
  382   2HG   LYS   3          2HG       LYS   3  29.006   3.402  -1.312
  383   1HD   LYS   3          1HD       LYS   3  27.550   5.232  -0.916
  384   2HD   LYS   3          2HD       LYS   3  26.386   4.212  -0.069
  385   1HE   LYS   3          1HE       LYS   3  28.128   3.799   1.671
  386   2HE   LYS   3          2HE       LYS   3  29.147   4.987   0.858
  387   1HZ   LYS   3          1HZ       LYS   3  26.590   6.084   1.299
  388   2HZ   LYS   3          2HZ       LYS   3  27.176   5.457   2.756
  389   3HZ   LYS   3          3HZ       LYS   3  28.081   6.603   1.904
  390    H    LYS   4           H        LYS   4  27.609   0.512  -3.864
  391    HA   LYS   4           HA       LYS   4  25.717   0.771  -6.108
  392   1HB   LYS   4          1HB       LYS   4  26.863  -1.479  -6.825
  393   2HB   LYS   4          2HB       LYS   4  27.604   0.063  -7.226
  394   1HG   LYS   4          1HG       LYS   4  28.949  -0.211  -5.081
  395   2HG   LYS   4          2HG       LYS   4  28.393  -1.886  -5.088
  396   1HD   LYS   4          1HD       LYS   4  30.527  -1.833  -6.154
  397   2HD   LYS   4          2HD       LYS   4  29.313  -2.087  -7.411
  398   1HE   LYS   4          1HE       LYS   4  30.282  -0.385  -8.482
  399   2HE   LYS   4          2HE       LYS   4  29.510   0.653  -7.284
  400   1HZ   LYS   4          1HZ       LYS   4  32.241  -0.494  -7.066
  401   2HZ   LYS   4          2HZ       LYS   4  31.877   1.107  -7.470
  402   3HZ   LYS   4          3HZ       LYS   4  31.503   0.516  -5.930
  403    H    HIS   5           H        HIS   5  26.962  -1.513  -3.671
  404    HA   HIS   5           HA       HIS   5  25.017  -3.454  -3.820
  405   1HB   HIS   5          1HB       HIS   5  25.538  -3.967  -1.464
  406   2HB   HIS   5          2HB       HIS   5  26.994  -3.688  -2.412
  407    HD1  HIS   5           HD1      HIS   5  26.516  -3.306   0.780
  408    HD2  HIS   5           HD2      HIS   5  26.910  -0.346  -2.110
  409    HE1  HIS   5           HE1      HIS   5  27.287  -1.256   2.016
  410    HE2  HIS   5           HE2      HIS   5  27.521   0.523   0.247
  411    H    HIS   6           H        HIS   6  24.842  -0.289  -2.335
  412    HA   HIS   6           HA       HIS   6  22.500  -0.675  -0.826
  413   1HB   HIS   6          1HB       HIS   6  23.788   1.774  -2.023
  414   2HB   HIS   6          2HB       HIS   6  22.278   1.874  -1.122
  415    HD1  HIS   6           HD1      HIS   6  24.368  -0.671   0.348
  416    HD2  HIS   6           HD2      HIS   6  24.092   3.467   0.604
  417    HE1  HIS   6           HE1      HIS   6  25.583  -0.045   2.460
  418    HE2  HIS   6           HE2      HIS   6  25.404   2.465   2.596
  419    H    GLU   7           H        GLU   7  22.893   0.852  -4.027
  420    HA   GLU   7           HA       GLU   7  20.242   1.232  -4.649
  421   1HB   GLU   7          1HB       GLU   7  22.738   0.916  -6.183
  422   2HB   GLU   7          2HB       GLU   7  21.271   0.558  -7.082
  423   1HG   GLU   7          1HG       GLU   7  20.407   2.802  -6.263
  424   2HG   GLU   7          2HG       GLU   7  22.065   3.130  -5.762
  425    H    ASN   8           H        ASN   8  22.030  -1.729  -4.482
  426    HA   ASN   8           HA       ASN   8  20.334  -3.327  -6.100
  427   1HB   ASN   8          1HB       ASN   8  22.037  -4.263  -3.785
  428   2HB   ASN   8          2HB       ASN   8  21.485  -5.219  -5.156
  429   2HD2  ASN   8          2HD2      ASN   8  23.966  -5.521  -4.939
  430   1HD2  ASN   8          1HD2      ASN   8  24.912  -4.512  -5.974
  431    H    GLU   9           H        GLU   9  20.653  -3.199  -2.539
  432    HA   GLU   9           HA       GLU   9  18.224  -4.630  -2.105
  433   1HB   GLU   9          1HB       GLU   9  19.562  -2.814  -0.107
  434   2HB   GLU   9          2HB       GLU   9  18.575  -4.234   0.210
  435   1HG   GLU   9          1HG       GLU   9  20.465  -5.369   0.411
  436   2HG   GLU   9          2HG       GLU   9  20.659  -5.198  -1.333
  437    H    ILE  10           H        ILE  10  18.806  -1.481  -3.095
  438    HA   ILE  10           HA       ILE  10  16.493  -0.286  -1.833
  439    HB   ILE  10           HB       ILE  10  18.631   0.737  -3.698
  440   1HG1  ILE  10          1HG1      ILE  10  17.871   1.629  -0.918
  441   2HG1  ILE  10          2HG1      ILE  10  19.112   0.426  -1.255
  442   1HG2  ILE  10          1HG2      ILE  10  16.464   1.793  -4.284
  443   2HG2  ILE  10          2HG2      ILE  10  16.357   2.390  -2.627
  444   3HG2  ILE  10          3HG2      ILE  10  17.674   2.922  -3.675
  445   1HD1  ILE  10          1HD1      ILE  10  19.306   3.070  -2.592
  446   2HD1  ILE  10          2HD1      ILE  10  19.713   2.951  -0.880
  447   3HD1  ILE  10          3HD1      ILE  10  20.580   1.971  -2.063
  448    H    SER  11           H        SER  11  17.465  -1.712  -4.854
  449    HA   SER  11           HA       SER  11  15.181  -0.734  -6.321
  450   1HB   SER  11          1HB       SER  11  17.617  -1.590  -7.129
  451   2HB   SER  11          2HB       SER  11  16.690  -3.074  -7.346
  452    HG   SER  11           HG       SER  11  15.638  -0.662  -8.312
  453    H    HIS  12           H        HIS  12  16.085  -3.537  -4.468
  454    HA   HIS  12           HA       HIS  12  13.864  -5.126  -5.362
  455   1HB   HIS  12          1HB       HIS  12  15.394  -6.646  -4.689
  456   2HB   HIS  12          2HB       HIS  12  16.232  -5.484  -3.676
  457    HD1  HIS  12           HD1      HIS  12  13.606  -8.147  -3.568
  458    HD2  HIS  12           HD2      HIS  12  15.536  -5.534  -0.980
  459    HE1  HIS  12           HE1      HIS  12  13.025  -8.945  -1.253
  460    HE2  HIS  12           HE2      HIS  12  14.206  -7.350   0.300
  461    H    HIS  13           H        HIS  13  14.666  -3.267  -2.415
  462    HA   HIS  13           HA       HIS  13  12.177  -3.848  -1.144
  463   1HB   HIS  13          1HB       HIS  13  14.121  -1.586  -0.661
  464   2HB   HIS  13          2HB       HIS  13  12.754  -1.975   0.371
  465    HD1  HIS  13           HD1      HIS  13  13.299  -5.134   0.260
  466    HD2  HIS  13           HD2      HIS  13  15.999  -2.138   1.229
  467    HE1  HIS  13           HE1      HIS  13  15.060  -6.254   1.669
  468    HE2  HIS  13           HE2      HIS  13  16.693  -4.420   2.244
  469    H    ALA  14           H        ALA  14  13.240  -1.546  -3.507
  470    HA   ALA  14           HA       ALA  14  11.152   0.356  -3.131
  471   1HB   ALA  14          1HB       ALA  14  13.056  -0.191  -5.396
  472   2HB   ALA  14          2HB       ALA  14  13.077   1.142  -4.241
  473   3HB   ALA  14          3HB       ALA  14  11.825   1.069  -5.482
  474    H    LYS  15           H        LYS  15  11.612  -2.395  -5.334
  475    HA   LYS  15           HA       LYS  15   9.143  -2.025  -6.698
  476   1HB   LYS  15          1HB       LYS  15  11.124  -3.364  -7.527
  477   2HB   LYS  15          2HB       LYS  15  10.664  -4.618  -6.385
  478   1HG   LYS  15          1HG       LYS  15   8.803  -5.217  -7.575
  479   2HG   LYS  15          2HG       LYS  15   8.624  -3.621  -8.306
  480   1HD   LYS  15          1HD       LYS  15  10.744  -4.106  -9.590
  481   2HD   LYS  15          2HD       LYS  15  10.612  -5.769  -9.013
  482   1HE   LYS  15          1HE       LYS  15   8.249  -5.729  -9.983
  483   2HE   LYS  15          2HE       LYS  15   8.748  -4.259 -10.821
  484   1HZ   LYS  15          1HZ       LYS  15  10.677  -6.310 -11.156
  485   2HZ   LYS  15          2HZ       LYS  15   9.153  -6.859 -11.642
  486   3HZ   LYS  15          3HZ       LYS  15   9.809  -5.460 -12.332
  487    H    GLU  16           H        GLU  16  10.097  -3.561  -3.739
  488    HA   GLU  16           HA       GLU  16   7.801  -5.192  -3.388
  489   1HB   GLU  16          1HB       GLU  16  10.170  -4.464  -1.862
  490   2HB   GLU  16          2HB       GLU  16   8.742  -4.586  -0.844
  491   1HG   GLU  16          1HG       GLU  16  10.106  -6.680  -1.084
  492   2HG   GLU  16          2HG       GLU  16   8.386  -6.836  -1.437
  493    H    ILE  17           H        ILE  17   8.680  -1.940  -2.200
  494    HA   ILE  17           HA       ILE  17   6.300  -1.582  -0.713
  495    HB   ILE  17           HB       ILE  17   6.990   0.576  -0.279
  496   1HG1  ILE  17          1HG1      ILE  17   8.698   1.749  -1.873
  497   2HG1  ILE  17          2HG1      ILE  17   8.125   0.587  -3.064
  498   1HG2  ILE  17          1HG2      ILE  17   8.961  -1.384  -0.338
  499   2HG2  ILE  17          2HG2      ILE  17   9.731   0.070  -0.968
  500   3HG2  ILE  17          3HG2      ILE  17   8.949   0.098   0.610
  501   1HD1  ILE  17          1HD1      ILE  17   5.815   1.650  -1.952
  502   2HD1  ILE  17          2HD1      ILE  17   6.908   3.022  -2.134
  503   3HD1  ILE  17          3HD1      ILE  17   6.508   2.022  -3.530
  504    H    GLU  18           H        GLU  18   7.186  -0.800  -4.042
  505    HA   GLU  18           HA       GLU  18   4.816   0.611  -4.679
  506   1HB   GLU  18          1HB       GLU  18   7.126   0.361  -5.951
  507   2HB   GLU  18          2HB       GLU  18   6.279  -0.948  -6.764
  508   1HG   GLU  18          1HG       GLU  18   4.479   0.680  -7.341
  509   2HG   GLU  18          2HG       GLU  18   5.506   1.956  -6.688
  510    H    ARG  19           H        ARG  19   5.594  -2.753  -4.433
  511    HA   ARG  19           HA       ARG  19   3.478  -3.762  -6.036
  512   1HB   ARG  19          1HB       ARG  19   5.676  -4.850  -4.804
  513   2HB   ARG  19          2HB       ARG  19   4.358  -5.470  -3.819
  514   1HG   ARG  19          1HG       ARG  19   3.637  -6.854  -5.426
  515   2HG   ARG  19          2HG       ARG  19   3.921  -5.676  -6.710
  516   1HD   ARG  19          1HD       ARG  19   6.201  -6.239  -6.865
  517   2HD   ARG  19          2HD       ARG  19   6.174  -7.106  -5.331
  518    HE   ARG  19           HE       ARG  19   5.382  -8.112  -7.912
  519   1HH1  ARG  19          1HH1      ARG  19   5.101  -8.484  -4.461
  520   2HH1  ARG  19          2HH1      ARG  19   4.671 -10.160  -4.546
  521   1HH2  ARG  19          1HH2      ARG  19   4.815 -10.318  -8.036
  522   2HH2  ARG  19          2HH2      ARG  19   4.509 -11.202  -6.579
  523    H    LEU  20           H        LEU  20   3.833  -3.319  -2.512
  524    HA   LEU  20           HA       LEU  20   1.200  -4.243  -1.938
  525   1HB   LEU  20          1HB       LEU  20   3.351  -2.861  -0.397
  526   2HB   LEU  20          2HB       LEU  20   1.731  -2.915   0.272
  527    HG   LEU  20           HG       LEU  20   3.323  -4.725   1.042
  528   1HD1  LEU  20          1HD1      LEU  20   0.639  -4.729   0.750
  529   2HD1  LEU  20          2HD1      LEU  20   1.071  -6.154  -0.197
  530   3HD1  LEU  20          3HD1      LEU  20   1.555  -6.040   1.495
  531   1HD2  LEU  20          1HD2      LEU  20   4.270  -5.102  -1.252
  532   2HD2  LEU  20          2HD2      LEU  20   3.786  -6.564  -0.391
  533   3HD2  LEU  20          3HD2      LEU  20   2.758  -5.911  -1.666
  534    H    GLN  21           H        GLN  21   2.552  -1.202  -2.883
  535    HA   GLN  21           HA       GLN  21   0.331   0.390  -1.993
  536   1HB   GLN  21          1HB       GLN  21   2.474   1.464  -2.178
  537   2HB   GLN  21          2HB       GLN  21   2.639   0.968  -3.857
  538   1HG   GLN  21          1HG       GLN  21   1.298   2.620  -4.622
  539   2HG   GLN  21          2HG       GLN  21   0.284   2.619  -3.180
  540   2HE2  GLN  21          2HE2      GLN  21   3.637   3.328  -4.112
  541   1HE2  GLN  21          1HE2      GLN  21   3.778   4.761  -3.157
  542    H    LYS  22           H        LYS  22   1.231  -1.337  -4.883
  543    HA   LYS  22           HA       LYS  22  -0.666  -0.111  -6.616
  544   1HB   LYS  22          1HB       LYS  22   1.456  -1.700  -7.052
  545   2HB   LYS  22          2HB       LYS  22   0.183  -2.912  -7.121
  546   1HG   LYS  22          1HG       LYS  22  -0.758  -0.815  -8.683
  547   2HG   LYS  22          2HG       LYS  22   0.957  -0.941  -9.076
  548   1HD   LYS  22          1HD       LYS  22   0.128  -2.474 -10.548
  549   2HD   LYS  22          2HD       LYS  22   0.370  -3.524  -9.151
  550   1HE   LYS  22          1HE       LYS  22  -1.803  -3.976  -9.050
  551   2HE   LYS  22          2HE       LYS  22  -2.200  -2.260  -8.992
  552   1HZ   LYS  22          1HZ       LYS  22  -1.701  -2.455 -11.548
  553   2HZ   LYS  22          2HZ       LYS  22  -2.116  -4.073 -11.288
  554   3HZ   LYS  22          3HZ       LYS  22  -3.222  -2.847 -10.920
  555    H    GLU  23           H        GLU  23  -0.655  -3.026  -4.617
  556    HA   GLU  23           HA       GLU  23  -3.169  -4.007  -5.437
  557   1HB   GLU  23          1HB       GLU  23  -1.214  -5.055  -3.959
  558   2HB   GLU  23          2HB       GLU  23  -2.233  -4.478  -2.646
  559   1HG   GLU  23          1HG       GLU  23  -3.459  -6.303  -2.835
  560   2HG   GLU  23          2HG       GLU  23  -3.932  -5.796  -4.456
  561    H    ILE  24           H        ILE  24  -2.212  -1.961  -2.685
  562    HA   ILE  24           HA       ILE  24  -4.803  -1.699  -1.599
  563    HB   ILE  24           HB       ILE  24  -2.803  -1.130  -0.315
  564   1HG1  ILE  24          1HG1      ILE  24  -5.081  -0.059   0.125
  565   2HG1  ILE  24          2HG1      ILE  24  -3.680   0.722   0.846
  566   1HG2  ILE  24          1HG2      ILE  24  -1.525  -0.161  -2.184
  567   2HG2  ILE  24          2HG2      ILE  24  -2.536   1.281  -2.091
  568   3HG2  ILE  24          3HG2      ILE  24  -1.503   0.837  -0.731
  569   1HD1  ILE  24          1HD1      ILE  24  -4.066   1.914  -1.672
  570   2HD1  ILE  24          2HD1      ILE  24  -5.646   1.808  -0.895
  571   3HD1  ILE  24          3HD1      ILE  24  -4.313   2.622  -0.075
  572    H    GLU  25           H        GLU  25  -3.171  -0.147  -4.239
  573    HA   GLU  25           HA       GLU  25  -4.777   2.158  -4.466
  574   1HB   GLU  25          1HB       GLU  25  -2.605   1.837  -5.630
  575   2HB   GLU  25          2HB       GLU  25  -3.366   0.642  -6.670
  576   1HG   GLU  25          1HG       GLU  25  -4.680   2.241  -7.749
  577   2HG   GLU  25          2HG       GLU  25  -4.412   3.441  -6.485
  578    H    ARG  26           H        ARG  26  -5.002  -1.042  -6.000
  579    HA   ARG  26           HA       ARG  26  -7.318  -0.494  -7.514
  580   1HB   ARG  26          1HB       ARG  26  -5.756  -2.434  -7.849
  581   2HB   ARG  26          2HB       ARG  26  -6.464  -3.181  -6.423
  582   1HG   ARG  26          1HG       ARG  26  -8.706  -2.761  -7.762
  583   2HG   ARG  26          2HG       ARG  26  -7.599  -2.809  -9.137
  584   1HD   ARG  26          1HD       ARG  26  -6.882  -4.951  -7.462
  585   2HD   ARG  26          2HD       ARG  26  -8.642  -4.971  -7.563
  586    HE   ARG  26           HE       ARG  26  -7.695  -4.644 -10.147
  587   1HH1  ARG  26          1HH1      ARG  26  -7.512  -7.026  -7.613
  588   2HH1  ARG  26          2HH1      ARG  26  -7.364  -8.364  -8.703
  589   1HH2  ARG  26          1HH2      ARG  26  -7.500  -6.398 -11.591
  590   2HH2  ARG  26          2HH2      ARG  26  -7.356  -8.007 -10.966
  591    H    HIS  27           H        HIS  27  -6.846  -1.785  -4.254
  592    HA   HIS  27           HA       HIS  27  -9.605  -2.312  -3.791
  593   1HB   HIS  27          1HB       HIS  27  -7.158  -2.761  -2.440
  594   2HB   HIS  27          2HB       HIS  27  -8.176  -1.830  -1.349
  595    HD1  HIS  27           HD1      HIS  27 -10.387  -2.952  -0.544
  596    HD2  HIS  27           HD2      HIS  27  -7.970  -5.380  -2.894
  597    HE1  HIS  27           HE1      HIS  27 -11.290  -5.281  -0.254
  598    HE2  HIS  27           HE2      HIS  27  -9.812  -6.735  -1.686
  599    H    LYS  28           H        LYS  28  -7.668   0.520  -3.762
  600    HA   LYS  28           HA       LYS  28  -9.288   2.020  -1.935
  601   1HB   LYS  28          1HB       LYS  28  -6.832   2.442  -2.477
  602   2HB   LYS  28          2HB       LYS  28  -7.390   3.146  -3.988
  603   1HG   LYS  28          1HG       LYS  28  -8.831   4.678  -2.554
  604   2HG   LYS  28          2HG       LYS  28  -7.860   4.118  -1.190
  605   1HD   LYS  28          1HD       LYS  28  -6.773   5.412  -3.690
  606   2HD   LYS  28          2HD       LYS  28  -7.013   6.225  -2.143
  607   1HE   LYS  28          1HE       LYS  28  -5.399   3.731  -2.174
  608   2HE   LYS  28          2HE       LYS  28  -4.673   5.192  -2.842
  609   1HZ   LYS  28          1HZ       LYS  28  -5.870   5.022  -0.131
  610   2HZ   LYS  28          2HZ       LYS  28  -4.218   4.844  -0.450
  611   3HZ   LYS  28          3HZ       LYS  28  -4.988   6.315  -0.775
  612    H    GLN  29           H        GLN  29  -9.145   1.501  -5.389
  613    HA   GLN  29           HA       GLN  29 -10.932   3.610  -6.087
  614   1HB   GLN  29          1HB       GLN  29  -9.368   2.677  -7.720
  615   2HB   GLN  29          2HB       GLN  29 -10.157   1.109  -7.602
  616   1HG   GLN  29          1HG       GLN  29 -12.251   2.207  -8.429
  617   2HG   GLN  29          2HG       GLN  29 -11.287   3.650  -8.739
  618   2HE2  GLN  29          2HE2      GLN  29 -12.383   0.739  -9.977
  619   1HE2  GLN  29          1HE2      GLN  29 -11.368   0.649 -11.372
  620    H    SER  30           H        SER  30 -11.282   0.168  -5.390
  621    HA   SER  30           HA       SER  30 -14.045   0.028  -6.069
  622   1HB   SER  30          1HB       SER  30 -13.977  -2.178  -5.300
  623   2HB   SER  30          2HB       SER  30 -12.307  -1.892  -5.789
  624    HG   SER  30           HG       SER  30 -13.269  -2.526  -3.367
  625    H    ILE  31           H        ILE  31 -12.299   0.482  -3.017
  626    HA   ILE  31           HA       ILE  31 -14.649   0.547  -1.398
  627    HB   ILE  31           HB       ILE  31 -12.529  -0.058  -0.413
  628   1HG1  ILE  31          1HG1      ILE  31 -12.427   1.661   1.470
  629   2HG1  ILE  31          2HG1      ILE  31 -13.697   2.531   0.609
  630   1HG2  ILE  31          1HG2      ILE  31 -11.445   1.880  -1.990
  631   2HG2  ILE  31          2HG2      ILE  31 -11.380   2.637  -0.399
  632   3HG2  ILE  31          3HG2      ILE  31 -10.609   1.075  -0.663
  633   1HD1  ILE  31          1HD1      ILE  31 -14.992   0.326   0.708
  634   2HD1  ILE  31          2HD1      ILE  31 -13.807  -0.148   1.924
  635   3HD1  ILE  31          3HD1      ILE  31 -14.828   1.265   2.192
  636    H    LYS  32           H        LYS  32 -12.944   2.872  -3.307
  637    HA   LYS  32           HA       LYS  32 -14.036   5.183  -1.991
  638   1HB   LYS  32          1HB       LYS  32 -11.884   5.309  -3.158
  639   2HB   LYS  32          2HB       LYS  32 -12.674   4.904  -4.677
  640   1HG   LYS  32          1HG       LYS  32 -13.085   7.041  -5.053
  641   2HG   LYS  32          2HG       LYS  32 -14.001   7.151  -3.548
  642   1HD   LYS  32          1HD       LYS  32 -12.144   8.773  -3.652
  643   2HD   LYS  32          2HD       LYS  32 -11.977   7.638  -2.312
  644   1HE   LYS  32          1HE       LYS  32 -10.680   6.429  -4.468
  645   2HE   LYS  32          2HE       LYS  32 -10.211   8.128  -4.542
  646   1HZ   LYS  32          1HZ       LYS  32  -9.576   7.966  -2.181
  647   2HZ   LYS  32          2HZ       LYS  32  -9.916   6.309  -2.213
  648   3HZ   LYS  32          3HZ       LYS  32  -8.671   6.937  -3.172
  649    H    LYS  33           H        LYS  33 -14.833   3.191  -4.765
  650    HA   LYS  33           HA       LYS  33 -16.860   4.923  -5.789
  651   1HB   LYS  33          1HB       LYS  33 -15.722   3.254  -7.198
  652   2HB   LYS  33          2HB       LYS  33 -16.428   1.962  -6.237
  653   1HG   LYS  33          1HG       LYS  33 -18.686   3.080  -6.914
  654   2HG   LYS  33          2HG       LYS  33 -17.720   3.773  -8.219
  655   1HD   LYS  33          1HD       LYS  33 -17.708   0.828  -7.619
  656   2HD   LYS  33          2HD       LYS  33 -18.911   1.560  -8.683
  657   1HE   LYS  33          1HE       LYS  33 -17.240   2.292 -10.206
  658   2HE   LYS  33          2HE       LYS  33 -15.945   1.895  -9.076
  659   1HZ   LYS  33          1HZ       LYS  33 -17.735  -0.253  -9.953
  660   2HZ   LYS  33          2HZ       LYS  33 -16.561   0.300 -11.038
  661   3HZ   LYS  33          3HZ       LYS  33 -16.099  -0.319  -9.532
  662    H    LEU  34           H        LEU  34 -16.746   2.300  -3.481
  663    HA   LEU  34           HA       LEU  34 -19.557   1.898  -3.293
  664   1HB   LEU  34          1HB       LEU  34 -17.503   0.436  -2.494
  665   2HB   LEU  34          2HB       LEU  34 -17.737   1.325  -1.002
  666    HG   LEU  34           HG       LEU  34 -18.954  -0.633  -0.672
  667   1HD1  LEU  34          1HD1      LEU  34 -20.245   1.591  -0.410
  668   2HD1  LEU  34          2HD1      LEU  34 -21.152   1.039  -1.817
  669   3HD1  LEU  34          3HD1      LEU  34 -21.134   0.071  -0.345
  670   1HD2  LEU  34          1HD2      LEU  34 -19.051  -0.708  -3.484
  671   2HD2  LEU  34          2HD2      LEU  34 -19.548  -1.959  -2.343
  672   3HD2  LEU  34          3HD2      LEU  34 -20.719  -0.769  -2.913
  673    H    LYS  35           H        LYS  35 -17.211   3.790  -1.428
  674    HA   LYS  35           HA       LYS  35 -19.135   4.759   0.446
  675   1HB   LYS  35          1HB       LYS  35 -16.790   4.668   1.053
  676   2HB   LYS  35          2HB       LYS  35 -16.369   5.748  -0.270
  677   1HG   LYS  35          1HG       LYS  35 -17.969   7.410   0.909
  678   2HG   LYS  35          2HG       LYS  35 -17.735   6.366   2.312
  679   1HD   LYS  35          1HD       LYS  35 -15.421   7.469   0.744
  680   2HD   LYS  35          2HD       LYS  35 -16.170   8.370   2.064
  681   1HE   LYS  35          1HE       LYS  35 -15.517   6.809   3.663
  682   2HE   LYS  35          2HE       LYS  35 -15.263   5.544   2.461
  683   1HZ   LYS  35          1HZ       LYS  35 -13.362   6.864   1.624
  684   2HZ   LYS  35          2HZ       LYS  35 -13.565   7.935   2.917
  685   3HZ   LYS  35          3HZ       LYS  35 -13.152   6.321   3.212
  686    H    GLN  36           H        GLN  36 -18.074   5.737  -2.703
  687    HA   GLN  36           HA       GLN  36 -19.069   8.422  -2.537
  688   1HB   GLN  36          1HB       GLN  36 -17.246   7.474  -4.113
  689   2HB   GLN  36          2HB       GLN  36 -18.594   6.932  -5.104
  690   1HG   GLN  36          1HG       GLN  36 -19.399   9.311  -5.120
  691   2HG   GLN  36          2HG       GLN  36 -17.867   9.753  -4.368
  692   2HE2  GLN  36          2HE2      GLN  36 -17.973  11.059  -6.464
  693   1HE2  GLN  36          1HE2      GLN  36 -17.197  10.347  -7.834
  694    H    SER  37           H        SER  37 -20.352   5.314  -3.423
  695    HA   SER  37           HA       SER  37 -22.632   6.273  -4.838
  696   1HB   SER  37          1HB       SER  37 -21.489   3.742  -4.211
  697   2HB   SER  37          2HB       SER  37 -23.167   3.721  -3.669
  698    HG   SER  37           HG       SER  37 -23.833   3.857  -5.681
  699    H    GLU  38           H        GLU  38 -21.859   5.813  -1.493
  700    HA   GLU  38           HA       GLU  38 -24.569   5.801  -0.554
  701   1HB   GLU  38          1HB       GLU  38 -22.889   4.729   0.793
  702   2HB   GLU  38          2HB       GLU  38 -21.931   6.201   0.860
  703   1HG   GLU  38          1HG       GLU  38 -24.625   6.591   1.859
  704   2HG   GLU  38          2HG       GLU  38 -23.750   5.339   2.739
  705    H    ASP  39           H        ASP  39 -22.211   8.214  -1.336
  706    HA   ASP  39           HA       ASP  39 -24.075  10.293  -0.397
  707   1HB   ASP  39          1HB       ASP  39 -21.410   9.883   0.428
  708   2HB   ASP  39          2HB       ASP  39 -21.384  11.295  -0.626
  709    H    ASP  40           H        ASP  40 -23.791   8.940  -3.018
  710    HA   ASP  40           HA       ASP  40 -23.916   9.488  -5.222
  711   1HB   ASP  40          1HB       ASP  40 -23.839  12.400  -4.472
  712   2HB   ASP  40          2HB       ASP  40 -24.677  11.631  -5.817
  713    H    ASP  41           H        ASP  41 -22.763  10.840  -6.982
  714    HA   ASP  41           HA       ASP  41 -19.941  10.497  -6.570
  715   1HB   ASP  41          1HB       ASP  41 -19.713  11.021  -8.913
  716   2HB   ASP  41          2HB       ASP  41 -21.099   9.953  -8.718

  No H/Q in entry =         716
  Start of MODEL   31
    1    H1   ALA   1           H1       ALA   1 -35.825  -1.083   0.763
    2    H2   ALA   1           H2       ALA   1 -34.913  -1.317  -0.671
    3    H3   ALA   1           H3       ALA   1 -36.360  -2.204  -0.418
    4    HA   ALA   1           HA       ALA   1 -35.415  -3.362   1.381
    5   1HB   ALA   1          1HB       ALA   1 -33.956  -3.315  -1.224
    6   2HB   ALA   1          2HB       ALA   1 -35.030  -4.545  -0.558
    7   3HB   ALA   1          3HB       ALA   1 -33.395  -4.365   0.077
    8    H    LEU   2           H        LEU   2 -33.403  -3.964   2.523
    9    HA   LEU   2           HA       LEU   2 -31.746  -1.580   3.025
   10   1HB   LEU   2          1HB       LEU   2 -33.329  -2.934   4.804
   11   2HB   LEU   2          2HB       LEU   2 -31.764  -3.675   5.080
   12    HG   LEU   2           HG       LEU   2 -30.815  -1.387   5.441
   13   1HD1  LEU   2          1HD1      LEU   2 -33.142  -0.516   4.292
   14   2HD1  LEU   2          2HD1      LEU   2 -33.426  -0.213   6.006
   15   3HD1  LEU   2          3HD1      LEU   2 -32.015   0.483   5.208
   16   1HD2  LEU   2          1HD2      LEU   2 -32.535  -2.927   7.152
   17   2HD2  LEU   2          2HD2      LEU   2 -31.073  -2.024   7.551
   18   3HD2  LEU   2          3HD2      LEU   2 -32.639  -1.214   7.556
   19    H    LYS   3           H        LYS   3 -29.662  -1.721   2.537
   20    HA   LYS   3           HA       LYS   3 -28.540  -4.332   1.869
   21   1HB   LYS   3          1HB       LYS   3 -28.073  -1.571   1.024
   22   2HB   LYS   3          2HB       LYS   3 -26.586  -2.460   1.329
   23   1HG   LYS   3          1HG       LYS   3 -27.047  -2.765  -0.948
   24   2HG   LYS   3          2HG       LYS   3 -27.527  -4.274  -0.168
   25   1HD   LYS   3          1HD       LYS   3 -29.843  -2.878  -0.038
   26   2HD   LYS   3          2HD       LYS   3 -29.161  -2.242  -1.535
   27   1HE   LYS   3          1HE       LYS   3 -30.314  -4.056  -2.333
   28   2HE   LYS   3          2HE       LYS   3 -28.729  -4.775  -2.051
   29   1HZ   LYS   3          1HZ       LYS   3 -29.776  -5.251   0.287
   30   2HZ   LYS   3          2HZ       LYS   3 -31.229  -5.148  -0.572
   31   3HZ   LYS   3          3HZ       LYS   3 -30.062  -6.287  -1.020
   32    H    LYS   4           H        LYS   4 -27.553  -5.407   3.439
   33    HA   LYS   4           HA       LYS   4 -26.069  -3.884   5.476
   34   1HB   LYS   4          1HB       LYS   4 -28.070  -5.721   5.860
   35   2HB   LYS   4          2HB       LYS   4 -26.628  -6.708   6.047
   36   1HG   LYS   4          1HG       LYS   4 -25.827  -4.877   7.657
   37   2HG   LYS   4          2HG       LYS   4 -27.511  -4.349   7.662
   38   1HD   LYS   4          1HD       LYS   4 -28.159  -6.671   8.311
   39   2HD   LYS   4          2HD       LYS   4 -26.444  -7.050   8.471
   40   1HE   LYS   4          1HE       LYS   4 -26.414  -4.966  10.036
   41   2HE   LYS   4          2HE       LYS   4 -28.153  -5.246  10.131
   42   1HZ   LYS   4          1HZ       LYS   4 -26.135  -7.341  10.709
   43   2HZ   LYS   4          2HZ       LYS   4 -26.805  -6.342  11.900
   44   3HZ   LYS   4          3HZ       LYS   4 -27.796  -7.395  11.023
   45    H    HIS   5           H        HIS   5 -25.995  -6.918   3.619
   46    HA   HIS   5           HA       HIS   5 -23.391  -7.684   4.287
   47   1HB   HIS   5          1HB       HIS   5 -23.507  -8.920   2.032
   48   2HB   HIS   5          2HB       HIS   5 -24.709  -9.330   3.251
   49    HD1  HIS   5           HD1      HIS   5 -27.132  -8.977   2.653
   50    HD2  HIS   5           HD2      HIS   5 -24.527  -7.317  -0.127
   51    HE1  HIS   5           HE1      HIS   5 -28.573  -8.280   0.714
   52    HE2  HIS   5           HE2      HIS   5 -26.976  -7.277  -0.957
   53    H    HIS   6           H        HIS   6 -24.572  -5.338   2.007
   54    HA   HIS   6           HA       HIS   6 -22.198  -5.102   0.463
   55   1HB   HIS   6          1HB       HIS   6 -24.800  -3.897   0.523
   56   2HB   HIS   6          2HB       HIS   6 -23.581  -2.629   0.437
   57    HD1  HIS   6           HD1      HIS   6 -22.984  -5.926  -1.225
   58    HD2  HIS   6           HD2      HIS   6 -24.178  -2.077  -2.241
   59    HE1  HIS   6           HE1      HIS   6 -22.896  -5.836  -3.737
   60    HE2  HIS   6           HE2      HIS   6 -23.623  -3.497  -4.330
   61    H    GLU   7           H        GLU   7 -23.463  -3.354   3.274
   62    HA   GLU   7           HA       GLU   7 -21.389  -1.436   3.392
   63   1HB   GLU   7          1HB       GLU   7 -23.256  -2.480   5.527
   64   2HB   GLU   7          2HB       GLU   7 -22.158  -1.128   5.765
   65   1HG   GLU   7          1HG       GLU   7 -23.852  -0.872   3.401
   66   2HG   GLU   7          2HG       GLU   7 -24.742  -0.944   4.920
   67    H    ASN   8           H        ASN   8 -21.687  -4.705   4.565
   68    HA   ASN   8           HA       ASN   8 -19.501  -4.627   6.378
   69   1HB   ASN   8          1HB       ASN   8 -21.436  -6.389   6.088
   70   2HB   ASN   8          2HB       ASN   8 -20.302  -7.148   4.974
   71   2HD2  ASN   8          2HD2      ASN   8 -19.886  -8.934   6.181
   72   1HD2  ASN   8          1HD2      ASN   8 -19.064  -8.893   7.700
   73    H    GLU   9           H        GLU   9 -19.845  -5.666   3.006
   74    HA   GLU   9           HA       GLU   9 -17.214  -6.537   2.613
   75   1HB   GLU   9          1HB       GLU   9 -19.492  -6.389   1.068
   76   2HB   GLU   9          2HB       GLU   9 -18.420  -5.237   0.282
   77   1HG   GLU   9          1HG       GLU   9 -17.009  -6.835  -0.449
   78   2HG   GLU   9          2HG       GLU   9 -17.241  -7.847   0.976
   79    H    ILE  10           H        ILE  10 -18.679  -3.331   2.152
   80    HA   ILE  10           HA       ILE  10 -16.262  -2.154   1.225
   81    HB   ILE  10           HB       ILE  10 -17.335  -0.033   1.397
   82   1HG1  ILE  10          1HG1      ILE  10 -19.471  -1.417   3.033
   83   2HG1  ILE  10          2HG1      ILE  10 -18.304  -0.240   3.634
   84   1HG2  ILE  10          1HG2      ILE  10 -18.061  -1.493  -0.419
   85   2HG2  ILE  10          2HG2      ILE  10 -19.366  -2.107   0.595
   86   3HG2  ILE  10          3HG2      ILE  10 -19.355  -0.414   0.102
   87   1HD1  ILE  10          1HD1      ILE  10 -19.645   0.917   1.425
   88   2HD1  ILE  10          2HD1      ILE  10 -20.857   0.216   2.501
   89   3HD1  ILE  10          3HD1      ILE  10 -19.700   1.393   3.124
   90    H    SER  11           H        SER  11 -17.480  -2.956   4.345
   91    HA   SER  11           HA       SER  11 -16.015  -1.056   5.856
   92   1HB   SER  11          1HB       SER  11 -17.928  -2.685   6.603
   93   2HB   SER  11          2HB       SER  11 -16.607  -3.818   6.884
   94    HG   SER  11           HG       SER  11 -16.873  -1.229   8.020
   95    H    HIS  12           H        HIS  12 -15.324  -4.284   4.619
   96    HA   HIS  12           HA       HIS  12 -12.751  -4.462   5.846
   97   1HB   HIS  12          1HB       HIS  12 -13.286  -6.601   5.371
   98   2HB   HIS  12          2HB       HIS  12 -14.461  -6.121   4.159
   99    HD1  HIS  12           HD1      HIS  12 -10.909  -7.218   4.559
  100    HD2  HIS  12           HD2      HIS  12 -13.544  -6.179   1.521
  101    HE1  HIS  12           HE1      HIS  12  -9.786  -7.934   2.424
  102    HE2  HIS  12           HE2      HIS  12 -11.400  -7.296   0.596
  103    H    HIS  13           H        HIS  13 -13.987  -3.257   2.784
  104    HA   HIS  13           HA       HIS  13 -11.495  -3.048   1.456
  105   1HB   HIS  13          1HB       HIS  13 -13.965  -1.359   1.045
  106   2HB   HIS  13          2HB       HIS  13 -12.626  -1.536  -0.081
  107    HD1  HIS  13           HD1      HIS  13 -12.535  -4.753   0.398
  108    HD2  HIS  13           HD2      HIS  13 -15.758  -2.413  -0.759
  109    HE1  HIS  13           HE1      HIS  13 -14.097  -6.318  -0.807
  110    HE2  HIS  13           HE2      HIS  13 -16.048  -4.880  -1.502
  111    H    ALA  14           H        ALA  14 -13.190  -0.993   3.730
  112    HA   ALA  14           HA       ALA  14 -11.617   1.338   3.287
  113   1HB   ALA  14          1HB       ALA  14 -12.529   1.432   5.928
  114   2HB   ALA  14          2HB       ALA  14 -13.764   0.535   5.044
  115   3HB   ALA  14          3HB       ALA  14 -13.295   2.150   4.511
  116    H    LYS  15           H        LYS  15 -11.562  -1.161   5.831
  117    HA   LYS  15           HA       LYS  15  -9.187  -0.196   7.040
  118   1HB   LYS  15          1HB       LYS  15 -10.932  -2.540   7.304
  119   2HB   LYS  15          2HB       LYS  15  -9.242  -2.881   7.647
  120   1HG   LYS  15          1HG       LYS  15 -10.222  -0.439   8.911
  121   2HG   LYS  15          2HG       LYS  15 -11.059  -1.903   9.433
  122   1HD   LYS  15          1HD       LYS  15  -8.971  -2.932  10.056
  123   2HD   LYS  15          2HD       LYS  15  -8.061  -1.573   9.393
  124   1HE   LYS  15          1HE       LYS  15  -8.655  -0.160  11.120
  125   2HE   LYS  15          2HE       LYS  15 -10.102  -1.085  11.516
  126   1HZ   LYS  15          1HZ       LYS  15  -8.019  -2.813  11.947
  127   2HZ   LYS  15          2HZ       LYS  15  -7.463  -1.336  12.556
  128   3HZ   LYS  15          3HZ       LYS  15  -8.909  -1.997  13.131
  129    H    GLU  16           H        GLU  16  -9.752  -1.860   4.124
  130    HA   GLU  16           HA       GLU  16  -7.196  -3.187   4.019
  131   1HB   GLU  16          1HB       GLU  16  -9.298  -4.041   2.908
  132   2HB   GLU  16          2HB       GLU  16  -9.134  -2.727   1.751
  133   1HG   GLU  16          1HG       GLU  16  -8.249  -4.979   1.039
  134   2HG   GLU  16          2HG       GLU  16  -7.151  -3.610   0.863
  135    H    ILE  17           H        ILE  17  -8.672  -0.241   2.707
  136    HA   ILE  17           HA       ILE  17  -6.422   0.389   1.050
  137    HB   ILE  17           HB       ILE  17  -7.534   2.334   0.441
  138   1HG1  ILE  17          1HG1      ILE  17  -9.565   3.118   1.952
  139   2HG1  ILE  17          2HG1      ILE  17  -8.661   2.292   3.218
  140   1HG2  ILE  17          1HG2      ILE  17  -8.999  -0.024   0.627
  141   2HG2  ILE  17          2HG2      ILE  17 -10.108   1.259   1.107
  142   3HG2  ILE  17          3HG2      ILE  17  -9.285   1.341  -0.449
  143   1HD1  ILE  17          1HD1      ILE  17  -6.712   3.792   2.096
  144   2HD1  ILE  17          2HD1      ILE  17  -8.121   4.828   1.857
  145   3HD1  ILE  17          3HD1      ILE  17  -7.688   4.287   3.479
  146    H    GLU  18           H        GLU  18  -7.441   1.242   4.313
  147    HA   GLU  18           HA       GLU  18  -5.359   3.170   4.713
  148   1HB   GLU  18          1HB       GLU  18  -7.702   2.533   6.020
  149   2HB   GLU  18          2HB       GLU  18  -6.471   1.933   7.123
  150   1HG   GLU  18          1HG       GLU  18  -5.453   4.100   7.258
  151   2HG   GLU  18          2HG       GLU  18  -6.533   4.728   6.014
  152    H    ARG  19           H        ARG  19  -5.796  -0.256   5.357
  153    HA   ARG  19           HA       ARG  19  -3.452  -0.556   6.947
  154   1HB   ARG  19          1HB       ARG  19  -5.307  -2.452   5.545
  155   2HB   ARG  19          2HB       ARG  19  -3.799  -3.041   6.232
  156   1HG   ARG  19          1HG       ARG  19  -5.410  -1.377   8.034
  157   2HG   ARG  19          2HG       ARG  19  -6.148  -2.910   7.563
  158   1HD   ARG  19          1HD       ARG  19  -3.306  -3.043   8.323
  159   2HD   ARG  19          2HD       ARG  19  -4.421  -2.625   9.622
  160    HE   ARG  19           HE       ARG  19  -4.051  -5.182   8.494
  161   1HH1  ARG  19          1HH1      ARG  19  -6.563  -3.059   9.639
  162   2HH1  ARG  19          2HH1      ARG  19  -7.632  -4.348  10.079
  163   1HH2  ARG  19          1HH2      ARG  19  -5.451  -6.888   9.070
  164   2HH2  ARG  19          2HH2      ARG  19  -6.999  -6.526   9.756
  165    H    LEU  20           H        LEU  20  -4.148  -0.710   3.515
  166    HA   LEU  20           HA       LEU  20  -1.682  -1.907   2.756
  167   1HB   LEU  20          1HB       LEU  20  -3.729  -0.297   1.241
  168   2HB   LEU  20          2HB       LEU  20  -2.285  -0.941   0.484
  169    HG   LEU  20           HG       LEU  20  -4.124  -2.786   1.953
  170   1HD1  LEU  20          1HD1      LEU  20  -5.497  -1.401   0.400
  171   2HD1  LEU  20          2HD1      LEU  20  -4.493  -1.986  -0.926
  172   3HD1  LEU  20          3HD1      LEU  20  -5.469  -3.120   0.009
  173   1HD2  LEU  20          1HD2      LEU  20  -1.764  -3.022   0.403
  174   2HD2  LEU  20          2HD2      LEU  20  -2.717  -4.302   1.154
  175   3HD2  LEU  20          3HD2      LEU  20  -3.078  -3.785  -0.493
  176    H    GLN  21           H        GLN  21  -2.826   1.407   3.123
  177    HA   GLN  21           HA       GLN  21  -0.601   2.704   1.997
  178   1HB   GLN  21          1HB       GLN  21  -2.948   3.450   3.525
  179   2HB   GLN  21          2HB       GLN  21  -1.542   4.380   4.027
  180   1HG   GLN  21          1HG       GLN  21  -2.097   4.097   1.122
  181   2HG   GLN  21          2HG       GLN  21  -3.100   5.186   2.076
  182   2HE2  GLN  21          2HE2      GLN  21   0.266   4.604   2.828
  183   1HE2  GLN  21          1HE2      GLN  21   0.835   6.165   2.367
  184    H    LYS  22           H        LYS  22  -1.298   1.746   5.350
  185    HA   LYS  22           HA       LYS  22   1.039   2.851   6.474
  186   1HB   LYS  22          1HB       LYS  22   0.602   1.302   8.368
  187   2HB   LYS  22          2HB       LYS  22  -0.810   2.235   7.893
  188   1HG   LYS  22          1HG       LYS  22  -1.744   0.343   6.748
  189   2HG   LYS  22          2HG       LYS  22  -0.282  -0.602   7.039
  190   1HD   LYS  22          1HD       LYS  22  -1.259   0.430   9.523
  191   2HD   LYS  22          2HD       LYS  22  -2.570  -0.391   8.675
  192   1HE   LYS  22          1HE       LYS  22  -1.492  -2.428   8.703
  193   2HE   LYS  22          2HE       LYS  22   0.106  -1.698   8.842
  194   1HZ   LYS  22          1HZ       LYS  22  -1.232  -0.951  11.121
  195   2HZ   LYS  22          2HZ       LYS  22  -1.656  -2.574  10.895
  196   3HZ   LYS  22          3HZ       LYS  22  -0.026  -2.132  11.000
  197    H    GLU  23           H        GLU  23   0.374  -0.218   4.917
  198    HA   GLU  23           HA       GLU  23   2.760  -1.535   5.687
  199   1HB   GLU  23          1HB       GLU  23   0.525  -2.409   4.558
  200   2HB   GLU  23          2HB       GLU  23   1.449  -2.162   3.082
  201   1HG   GLU  23          1HG       GLU  23   3.109  -3.712   3.757
  202   2HG   GLU  23          2HG       GLU  23   2.456  -3.796   5.393
  203    H    ILE  24           H        ILE  24   1.917   0.529   2.954
  204    HA   ILE  24           HA       ILE  24   4.281   0.077   1.471
  205    HB   ILE  24           HB       ILE  24   3.564   1.648  -0.020
  206   1HG1  ILE  24          1HG1      ILE  24   2.045   3.639   0.774
  207   2HG1  ILE  24          2HG1      ILE  24   2.747   3.290   2.351
  208   1HG2  ILE  24          1HG2      ILE  24   1.593   0.120   0.981
  209   2HG2  ILE  24          2HG2      ILE  24   0.888   1.723   1.192
  210   3HG2  ILE  24          3HG2      ILE  24   1.404   1.191  -0.407
  211   1HD1  ILE  24          1HD1      ILE  24   4.837   3.367   0.425
  212   2HD1  ILE  24          2HD1      ILE  24   3.839   4.812   0.248
  213   3HD1  ILE  24          3HD1      ILE  24   4.560   4.427   1.811
  214    H    GLU  25           H        GLU  25   3.420   2.413   3.965
  215    HA   GLU  25           HA       GLU  25   5.719   4.018   3.834
  216   1HB   GLU  25          1HB       GLU  25   3.576   4.489   5.109
  217   2HB   GLU  25          2HB       GLU  25   4.167   3.389   6.346
  218   1HG   GLU  25          1HG       GLU  25   6.294   4.986   6.156
  219   2HG   GLU  25          2HG       GLU  25   5.042   6.124   5.659
  220    H    ARG  26           H        ARG  26   5.018   1.055   5.633
  221    HA   ARG  26           HA       ARG  26   7.332   0.950   7.193
  222   1HB   ARG  26          1HB       ARG  26   5.402  -0.552   7.509
  223   2HB   ARG  26          2HB       ARG  26   5.781  -1.354   5.991
  224   1HG   ARG  26          1HG       ARG  26   7.674  -2.376   6.855
  225   2HG   ARG  26          2HG       ARG  26   7.804  -1.229   8.189
  226   1HD   ARG  26          1HD       ARG  26   6.474  -2.456   9.498
  227   2HD   ARG  26          2HD       ARG  26   5.286  -2.673   8.214
  228    HE   ARG  26           HE       ARG  26   6.161  -4.743   7.829
  229   1HH1  ARG  26          1HH1      ARG  26   8.513  -2.842   9.556
  230   2HH1  ARG  26          2HH1      ARG  26   9.620  -4.158   9.758
  231   1HH2  ARG  26          1HH2      ARG  26   7.611  -6.484   8.090
  232   2HH2  ARG  26          2HH2      ARG  26   9.108  -6.229   8.925
  233    H    HIS  27           H        HIS  27   6.694  -0.230   3.910
  234    HA   HIS  27           HA       HIS  27   9.281  -1.346   3.536
  235   1HB   HIS  27          1HB       HIS  27   6.850  -1.153   2.054
  236   2HB   HIS  27          2HB       HIS  27   8.160  -0.564   1.036
  237    HD1  HIS  27           HD1      HIS  27  10.216  -2.292   0.735
  238    HD2  HIS  27           HD2      HIS  27   6.671  -3.865   2.227
  239    HE1  HIS  27           HE1      HIS  27  10.404  -4.780   0.428
  240    HE2  HIS  27           HE2      HIS  27   8.248  -5.714   1.338
  241    H    LYS  28           H        LYS  28   7.941   1.832   3.336
  242    HA   LYS  28           HA       LYS  28   9.946   2.965   1.664
  243   1HB   LYS  28          1HB       LYS  28   7.598   3.877   2.131
  244   2HB   LYS  28          2HB       LYS  28   8.261   4.481   3.644
  245   1HG   LYS  28          1HG       LYS  28  10.074   5.513   2.019
  246   2HG   LYS  28          2HG       LYS  28   8.751   5.379   0.860
  247   1HD   LYS  28          1HD       LYS  28   8.231   6.589   3.538
  248   2HD   LYS  28          2HD       LYS  28   9.045   7.548   2.301
  249   1HE   LYS  28          1HE       LYS  28   7.194   7.215   0.779
  250   2HE   LYS  28          2HE       LYS  28   6.396   6.152   1.937
  251   1HZ   LYS  28          1HZ       LYS  28   7.080   8.888   2.753
  252   2HZ   LYS  28          2HZ       LYS  28   5.732   8.647   1.761
  253   3HZ   LYS  28          3HZ       LYS  28   5.814   7.896   3.276
  254    H    GLN  29           H        GLN  29   9.663   2.292   5.047
  255    HA   GLN  29           HA       GLN  29  11.767   4.063   5.869
  256   1HB   GLN  29          1HB       GLN  29  10.000   3.414   7.433
  257   2HB   GLN  29          2HB       GLN  29  10.479   1.727   7.297
  258   1HG   GLN  29          1HG       GLN  29  12.796   2.636   8.102
  259   2HG   GLN  29          2HG       GLN  29  11.822   3.974   8.712
  260   2HE2  GLN  29          2HE2      GLN  29  13.221   2.452  10.457
  261   1HE2  GLN  29          1HE2      GLN  29  12.150   1.469  11.392
  262    H    SER  30           H        SER  30  11.462   0.602   5.195
  263    HA   SER  30           HA       SER  30  14.121  -0.074   5.911
  264   1HB   SER  30          1HB       SER  30  11.866  -1.399   4.530
  265   2HB   SER  30          2HB       SER  30  13.471  -2.001   4.112
  266    HG   SER  30           HG       SER  30  12.755  -3.138   5.885
  267    H    ILE  31           H        ILE  31  12.615   0.865   2.853
  268    HA   ILE  31           HA       ILE  31  14.943   0.438   1.263
  269    HB   ILE  31           HB       ILE  31  12.795   0.412   0.189
  270   1HG1  ILE  31          1HG1      ILE  31  13.085   2.296  -1.520
  271   2HG1  ILE  31          2HG1      ILE  31  14.508   2.770  -0.598
  272   1HG2  ILE  31          1HG2      ILE  31  12.169   2.483   1.914
  273   2HG2  ILE  31          2HG2      ILE  31  12.159   3.237   0.321
  274   3HG2  ILE  31          3HG2      ILE  31  11.144   1.832   0.636
  275   1HD1  ILE  31          1HD1      ILE  31  15.293   0.375  -0.913
  276   2HD1  ILE  31          2HD1      ILE  31  14.014   0.254  -2.122
  277   3HD1  ILE  31          3HD1      ILE  31  15.309   1.431  -2.327
  278    H    LYS  32           H        LYS  32  13.616   3.185   3.012
  279    HA   LYS  32           HA       LYS  32  15.456   5.084   1.920
  280   1HB   LYS  32          1HB       LYS  32  13.191   5.619   2.908
  281   2HB   LYS  32          2HB       LYS  32  13.896   5.330   4.493
  282   1HG   LYS  32          1HG       LYS  32  15.317   7.185   4.324
  283   2HG   LYS  32          2HG       LYS  32  15.067   7.324   2.582
  284   1HD   LYS  32          1HD       LYS  32  13.676   8.990   3.271
  285   2HD   LYS  32          2HD       LYS  32  12.545   7.638   3.360
  286   1HE   LYS  32          1HE       LYS  32  12.230   8.104   5.508
  287   2HE   LYS  32          2HE       LYS  32  13.913   7.676   5.811
  288   1HZ   LYS  32          1HZ       LYS  32  14.498  10.002   5.269
  289   2HZ   LYS  32          2HZ       LYS  32  12.850  10.372   5.165
  290   3HZ   LYS  32          3HZ       LYS  32  13.513   9.865   6.637
  291    H    LYS  33           H        LYS  33  15.598   2.734   4.426
  292    HA   LYS  33           HA       LYS  33  17.699   4.030   5.909
  293   1HB   LYS  33          1HB       LYS  33  16.092   2.558   7.036
  294   2HB   LYS  33          2HB       LYS  33  16.644   1.202   6.063
  295   1HG   LYS  33          1HG       LYS  33  18.754   1.173   7.125
  296   2HG   LYS  33          2HG       LYS  33  18.469   2.739   7.888
  297   1HD   LYS  33          1HD       LYS  33  17.293   1.834   9.577
  298   2HD   LYS  33          2HD       LYS  33  16.450   0.708   8.512
  299   1HE   LYS  33          1HE       LYS  33  17.696  -0.760   9.749
  300   2HE   LYS  33          2HE       LYS  33  18.809  -0.452   8.417
  301   1HZ   LYS  33          1HZ       LYS  33  18.950   1.254  10.801
  302   2HZ   LYS  33          2HZ       LYS  33  19.613  -0.302  10.875
  303   3HZ   LYS  33          3HZ       LYS  33  20.176   0.805   9.726
  304    H    LEU  34           H        LEU  34  17.469   1.443   3.496
  305    HA   LEU  34           HA       LEU  34  20.283   0.846   3.685
  306   1HB   LEU  34          1HB       LEU  34  18.204  -0.023   1.677
  307   2HB   LEU  34          2HB       LEU  34  19.848  -0.630   1.745
  308    HG   LEU  34           HG       LEU  34  18.153  -0.874   4.185
  309   1HD1  LEU  34          1HD1      LEU  34  16.783  -1.625   2.213
  310   2HD1  LEU  34          2HD1      LEU  34  18.013  -2.857   1.928
  311   3HD1  LEU  34          3HD1      LEU  34  17.097  -2.858   3.434
  312   1HD2  LEU  34          1HD2      LEU  34  20.539  -1.496   4.189
  313   2HD2  LEU  34          2HD2      LEU  34  19.479  -2.869   4.513
  314   3HD2  LEU  34          3HD2      LEU  34  20.212  -2.677   2.921
  315    H    LYS  35           H        LYS  35  18.266   2.990   1.878
  316    HA   LYS  35           HA       LYS  35  20.247   3.459  -0.182
  317   1HB   LYS  35          1HB       LYS  35  18.672   4.958  -1.156
  318   2HB   LYS  35          2HB       LYS  35  17.760   3.565  -0.589
  319   1HG   LYS  35          1HG       LYS  35  16.408   5.183   0.210
  320   2HG   LYS  35          2HG       LYS  35  17.530   5.109   1.570
  321   1HD   LYS  35          1HD       LYS  35  18.141   7.221   1.234
  322   2HD   LYS  35          2HD       LYS  35  18.567   6.868  -0.441
  323   1HE   LYS  35          1HE       LYS  35  16.054   7.033  -0.914
  324   2HE   LYS  35          2HE       LYS  35  15.935   7.791   0.673
  325   1HZ   LYS  35          1HZ       LYS  35  17.969   9.137  -0.502
  326   2HZ   LYS  35          2HZ       LYS  35  16.921   8.870  -1.801
  327   3HZ   LYS  35          3HZ       LYS  35  16.365   9.669  -0.419
  328    H    GLN  36           H        GLN  36  19.204   4.870   2.832
  329    HA   GLN  36           HA       GLN  36  20.652   7.332   2.447
  330   1HB   GLN  36          1HB       GLN  36  19.068   6.116   4.672
  331   2HB   GLN  36          2HB       GLN  36  20.168   7.437   5.037
  332   1HG   GLN  36          1HG       GLN  36  18.720   8.251   2.785
  333   2HG   GLN  36          2HG       GLN  36  17.549   7.512   3.877
  334   2HE2  GLN  36          2HE2      GLN  36  19.132  10.312   3.099
  335   1HE2  GLN  36          1HE2      GLN  36  18.888  11.188   4.567
  336    H    SER  37           H        SER  37  21.218   4.216   3.915
  337    HA   SER  37           HA       SER  37  23.580   5.008   5.335
  338   1HB   SER  37          1HB       SER  37  22.620   3.138   6.310
  339   2HB   SER  37          2HB       SER  37  22.206   2.411   4.757
  340    HG   SER  37           HG       SER  37  24.204   1.746   6.210
  341    H    GLU  38           H        GLU  38  22.846   3.905   2.132
  342    HA   GLU  38           HA       GLU  38  25.496   3.071   1.456
  343   1HB   GLU  38          1HB       GLU  38  22.905   3.274   0.126
  344   2HB   GLU  38          2HB       GLU  38  24.245   3.699  -0.930
  345   1HG   GLU  38          1HG       GLU  38  24.238   1.176   0.691
  346   2HG   GLU  38          2HG       GLU  38  23.488   1.273  -0.902
  347    H    ASP  39           H        ASP  39  23.786   6.086   1.487
  348    HA   ASP  39           HA       ASP  39  25.603   7.462  -0.263
  349   1HB   ASP  39          1HB       ASP  39  23.138   8.049   0.238
  350   2HB   ASP  39          2HB       ASP  39  23.760   8.802   1.704
  351    H    ASP  40           H        ASP  40  25.435   6.749   3.119
  352    HA   ASP  40           HA       ASP  40  26.908   7.090   4.822
  353   1HB   ASP  40          1HB       ASP  40  28.523   7.450   2.415
  354   2HB   ASP  40          2HB       ASP  40  29.131   8.374   3.786
  355    H    ASP  41           H        ASP  41  27.899   8.814   6.131
  356    HA   ASP  41           HA       ASP  41  27.655  10.819   7.190
  357   1HB   ASP  41          1HB       ASP  41  27.786  11.992   4.409
  358   2HB   ASP  41          2HB       ASP  41  28.287  12.749   5.918
  359    H1   ALA   1           H1       ALA   1  35.824  -1.085  -0.762
  360    H2   ALA   1           H2       ALA   1  34.911  -1.321   0.672
  361    H3   ALA   1           H3       ALA   1  36.358  -2.208   0.417
  362    HA   ALA   1           HA       ALA   1  35.413  -3.364  -1.384
  363   1HB   ALA   1          1HB       ALA   1  33.393  -4.369  -0.080
  364   2HB   ALA   1          2HB       ALA   1  33.954  -3.320   1.221
  365   3HB   ALA   1          3HB       ALA   1  35.029  -4.550   0.555
  366    H    LEU   2           H        LEU   2  33.402  -3.965  -2.527
  367    HA   LEU   2           HA       LEU   2  31.745  -1.580  -3.026
  368   1HB   LEU   2          1HB       LEU   2  33.328  -2.932  -4.806
  369   2HB   LEU   2          2HB       LEU   2  31.762  -3.672  -5.083
  370    HG   LEU   2           HG       LEU   2  30.814  -1.383  -5.440
  371   1HD1  LEU   2          1HD1      LEU   2  33.141  -0.514  -4.290
  372   2HD1  LEU   2          2HD1      LEU   2  33.425  -0.209  -6.004
  373   3HD1  LEU   2          3HD1      LEU   2  32.014   0.486  -5.206
  374   1HD2  LEU   2          1HD2      LEU   2  32.533  -2.921  -7.153
  375   2HD2  LEU   2          2HD2      LEU   2  31.072  -2.018  -7.552
  376   3HD2  LEU   2          3HD2      LEU   2  32.639  -1.208  -7.556
  377    H    LYS   3           H        LYS   3  29.661  -1.721  -2.537
  378    HA   LYS   3           HA       LYS   3  28.539  -4.334  -1.872
  379   1HB   LYS   3          1HB       LYS   3  28.071  -1.574  -1.025
  380   2HB   LYS   3          2HB       LYS   3  26.584  -2.462  -1.331
  381   1HG   LYS   3          1HG       LYS   3  27.045  -2.770   0.946
  382   2HG   LYS   3          2HG       LYS   3  27.525  -4.278   0.164
  383   1HD   LYS   3          1HD       LYS   3  29.842  -2.882   0.036
  384   2HD   LYS   3          2HD       LYS   3  29.160  -2.247   1.534
  385   1HE   LYS   3          1HE       LYS   3  30.313  -4.063   2.330
  386   2HE   LYS   3          2HE       LYS   3  28.728  -4.781   2.046
  387   1HZ   LYS   3          1HZ       LYS   3  29.774  -5.255  -0.292
  388   2HZ   LYS   3          2HZ       LYS   3  31.228  -5.153   0.567
  389   3HZ   LYS   3          3HZ       LYS   3  30.060  -6.292   1.014
  390    H    LYS   4           H        LYS   4  27.552  -5.407  -3.444
  391    HA   LYS   4           HA       LYS   4  26.069  -3.880  -5.480
  392   1HB   LYS   4          1HB       LYS   4  28.068  -5.717  -5.865
  393   2HB   LYS   4          2HB       LYS   4  26.625  -6.705  -6.054
  394   1HG   LYS   4          1HG       LYS   4  25.826  -4.872  -7.661
  395   2HG   LYS   4          2HG       LYS   4  27.509  -4.343  -7.666
  396   1HD   LYS   4          1HD       LYS   4  28.159  -6.664  -8.318
  397   2HD   LYS   4          2HD       LYS   4  26.443  -7.044  -8.479
  398   1HE   LYS   4          1HE       LYS   4  26.414  -4.957 -10.040
  399   2HE   LYS   4          2HE       LYS   4  28.152  -5.235 -10.136
  400   1HZ   LYS   4          1HZ       LYS   4  26.135  -7.330 -10.718
  401   2HZ   LYS   4          2HZ       LYS   4  26.805  -6.330 -11.907
  402   3HZ   LYS   4          3HZ       LYS   4  27.796  -7.385 -11.031
  403    H    HIS   5           H        HIS   5  25.992  -6.917  -3.626
  404    HA   HIS   5           HA       HIS   5  23.389  -7.682  -4.295
  405   1HB   HIS   5          1HB       HIS   5  23.504  -8.920  -2.041
  406   2HB   HIS   5          2HB       HIS   5  24.705  -9.330  -3.260
  407    HD1  HIS   5           HD1      HIS   5  27.130  -8.977  -2.663
  408    HD2  HIS   5           HD2      HIS   5  24.526  -7.321   0.120
  409    HE1  HIS   5           HE1      HIS   5  28.571  -8.282  -0.723
  410    HE2  HIS   5           HE2      HIS   5  26.975  -7.281   0.950
  411    H    HIS   6           H        HIS   6  24.570  -5.337  -2.013
  412    HA   HIS   6           HA       HIS   6  22.197  -5.103  -0.468
  413   1HB   HIS   6          1HB       HIS   6  24.798  -3.898  -0.527
  414   2HB   HIS   6          2HB       HIS   6  23.580  -2.631  -0.438
  415    HD1  HIS   6           HD1      HIS   6  22.983  -5.930   1.218
  416    HD2  HIS   6           HD2      HIS   6  24.176  -2.084   2.240
  417    HE1  HIS   6           HE1      HIS   6  22.895  -5.844   3.730
  418    HE2  HIS   6           HE2      HIS   6  23.622  -3.507   4.327
  419    H    GLU   7           H        GLU   7  23.462  -3.353  -3.278
  420    HA   GLU   7           HA       GLU   7  21.389  -1.434  -3.394
  421   1HB   GLU   7          1HB       GLU   7  23.256  -2.478  -5.530
  422   2HB   GLU   7          2HB       GLU   7  22.158  -1.124  -5.767
  423   1HG   GLU   7          1HG       GLU   7  23.852  -0.872  -3.402
  424   2HG   GLU   7          2HG       GLU   7  24.742  -0.942  -4.923
  425    H    ASN   8           H        ASN   8  21.686  -4.702  -4.568
  426    HA   ASN   8           HA       ASN   8  19.499  -4.623  -6.383
  427   1HB   ASN   8          1HB       ASN   8  21.435  -6.385  -6.095
  428   2HB   ASN   8          2HB       ASN   8  20.302  -7.145  -4.982
  429   2HD2  ASN   8          2HD2      ASN   8  19.886  -8.930  -6.192
  430   1HD2  ASN   8          1HD2      ASN   8  19.064  -8.888  -7.711
  431    H    GLU   9           H        GLU   9  19.843  -5.665  -3.011
  432    HA   GLU   9           HA       GLU   9  17.213  -6.537  -2.621
  433   1HB   GLU   9          1HB       GLU   9  19.490  -6.392  -1.075
  434   2HB   GLU   9          2HB       GLU   9  18.421  -5.240  -0.287
  435   1HG   GLU   9          1HG       GLU   9  17.008  -6.838   0.443
  436   2HG   GLU   9          2HG       GLU   9  17.237  -7.848  -0.984
  437    H    ILE  10           H        ILE  10  18.679  -3.332  -2.156
  438    HA   ILE  10           HA       ILE  10  16.262  -2.156  -1.227
  439    HB   ILE  10           HB       ILE  10  17.334  -0.034  -1.397
  440   1HG1  ILE  10          1HG1      ILE  10  19.470  -1.415  -3.036
  441   2HG1  ILE  10          2HG1      ILE  10  18.303  -0.239  -3.636
  442   1HG2  ILE  10          1HG2      ILE  10  18.061  -1.491   0.418
  443   2HG2  ILE  10          2HG2      ILE  10  19.364  -2.110  -0.597
  444   3HG2  ILE  10          3HG2      ILE  10  19.357  -0.416  -0.106
  445   1HD1  ILE  10          1HD1      ILE  10  19.644   0.916  -1.425
  446   2HD1  ILE  10          2HD1      ILE  10  20.856   0.216  -2.500
  447   3HD1  ILE  10          3HD1      ILE  10  19.700   1.394  -3.125
  448    H    SER  11           H        SER  11  17.478  -2.954  -4.348
  449    HA   SER  11           HA       SER  11  16.014  -1.052  -5.857
  450   1HB   SER  11          1HB       SER  11  17.927  -2.681  -6.605
  451   2HB   SER  11          2HB       SER  11  16.606  -3.814  -6.889
  452    HG   SER  11           HG       SER  11  16.873  -1.223  -8.020
  453    H    HIS  12           H        HIS  12  15.323  -4.282  -4.624
  454    HA   HIS  12           HA       HIS  12  12.750  -4.459  -5.851
  455   1HB   HIS  12          1HB       HIS  12  13.286  -6.598  -5.378
  456   2HB   HIS  12          2HB       HIS  12  14.461  -6.120  -4.167
  457    HD1  HIS  12           HD1      HIS  12  10.908  -7.216  -4.567
  458    HD2  HIS  12           HD2      HIS  12  13.544  -6.181  -1.528
  459    HE1  HIS  12           HE1      HIS  12   9.787  -7.934  -2.433
  460    HE2  HIS  12           HE2      HIS  12  11.400  -7.298  -0.604
  461    H    HIS  13           H        HIS  13  13.986  -3.258  -2.788
  462    HA   HIS  13           HA       HIS  13  11.494  -3.050  -1.460
  463   1HB   HIS  13          1HB       HIS  13  13.964  -1.360  -1.048
  464   2HB   HIS  13          2HB       HIS  13  12.625  -1.540   0.079
  465    HD1  HIS  13           HD1      HIS  13  12.536  -4.756  -0.405
  466    HD2  HIS  13           HD2      HIS  13  15.756  -2.416   0.758
  467    HE1  HIS  13           HE1      HIS  13  14.097  -6.321   0.799
  468    HE2  HIS  13           HE2      HIS  13  16.047  -4.883   1.498
  469    H    ALA  14           H        ALA  14  13.190  -0.992  -3.733
  470    HA   ALA  14           HA       ALA  14  11.617   1.338  -3.288
  471   1HB   ALA  14          1HB       ALA  14  13.763   0.536  -5.046
  472   2HB   ALA  14          2HB       ALA  14  13.295   2.150  -4.512
  473   3HB   ALA  14          3HB       ALA  14  12.527   1.434  -5.929
  474    H    LYS  15           H        LYS  15  11.560  -1.158  -5.835
  475    HA   LYS  15           HA       LYS  15   9.185  -0.194  -7.042
  476   1HB   LYS  15          1HB       LYS  15  10.929  -2.538  -7.307
  477   2HB   LYS  15          2HB       LYS  15   9.238  -2.876  -7.650
  478   1HG   LYS  15          1HG       LYS  15  10.223  -0.435  -8.912
  479   2HG   LYS  15          2HG       LYS  15  11.058  -1.900  -9.434
  480   1HD   LYS  15          1HD       LYS  15   8.970  -2.924 -10.062
  481   2HD   LYS  15          2HD       LYS  15   8.060  -1.568  -9.396
  482   1HE   LYS  15          1HE       LYS  15   8.655  -0.150 -11.120
  483   2HE   LYS  15          2HE       LYS  15  10.102  -1.074 -11.516
  484   1HZ   LYS  15          1HZ       LYS  15   8.019  -2.802 -11.953
  485   2HZ   LYS  15          2HZ       LYS  15   7.464  -1.322 -12.559
  486   3HZ   LYS  15          3HZ       LYS  15   8.909  -1.983 -13.135
  487    H    GLU  16           H        GLU  16   9.752  -1.863  -4.128
  488    HA   GLU  16           HA       GLU  16   7.194  -3.187  -4.021
  489   1HB   GLU  16          1HB       GLU  16   9.299  -4.041  -2.912
  490   2HB   GLU  16          2HB       GLU  16   9.133  -2.729  -1.754
  491   1HG   GLU  16          1HG       GLU  16   8.249  -4.981  -1.044
  492   2HG   GLU  16          2HG       GLU  16   7.151  -3.614  -0.867
  493    H    ILE  17           H        ILE  17   8.672  -0.242  -2.708
  494    HA   ILE  17           HA       ILE  17   6.423   0.385  -1.051
  495    HB   ILE  17           HB       ILE  17   7.536   2.331  -0.439
  496   1HG1  ILE  17          1HG1      ILE  17   9.568   3.112  -1.951
  497   2HG1  ILE  17          2HG1      ILE  17   8.660   2.290  -3.216
  498   1HG2  ILE  17          1HG2      ILE  17   8.999  -0.028  -0.627
  499   2HG2  ILE  17          2HG2      ILE  17  10.108   1.256  -1.105
  500   3HG2  ILE  17          3HG2      ILE  17   9.285   1.336   0.449
  501   1HD1  ILE  17          1HD1      ILE  17   6.716   3.793  -2.093
  502   2HD1  ILE  17          2HD1      ILE  17   8.125   4.823  -1.846
  503   3HD1  ILE  17          3HD1      ILE  17   7.695   4.292  -3.473
  504    H    GLU  18           H        GLU  18   7.439   1.241  -4.312
  505    HA   GLU  18           HA       GLU  18   5.359   3.171  -4.709
  506   1HB   GLU  18          1HB       GLU  18   7.703   2.538  -6.016
  507   2HB   GLU  18          2HB       GLU  18   6.473   1.938  -7.121
  508   1HG   GLU  18          1HG       GLU  18   5.453   4.104  -7.252
  509   2HG   GLU  18          2HG       GLU  18   6.533   4.731  -6.008
  510    H    ARG  19           H        ARG  19   5.793  -0.255  -5.348
  511    HA   ARG  19           HA       ARG  19   3.451  -0.552  -6.943
  512   1HB   ARG  19          1HB       ARG  19   5.304  -2.449  -5.540
  513   2HB   ARG  19          2HB       ARG  19   3.797  -3.039  -6.227
  514   1HG   ARG  19          1HG       ARG  19   5.409  -1.378  -8.030
  515   2HG   ARG  19          2HG       ARG  19   6.144  -2.911  -7.560
  516   1HD   ARG  19          1HD       ARG  19   3.301  -3.042  -8.317
  517   2HD   ARG  19          2HD       ARG  19   4.413  -2.619  -9.618
  518    HE   ARG  19           HE       ARG  19   4.050  -5.180  -8.495
  519   1HH1  ARG  19          1HH1      ARG  19   6.555  -3.050  -9.640
  520   2HH1  ARG  19          2HH1      ARG  19   7.625  -4.337 -10.085
  521   1HH2  ARG  19          1HH2      ARG  19   5.450  -6.883  -9.078
  522   2HH2  ARG  19          2HH2      ARG  19   6.997  -6.517  -9.768
  523    H    LEU  20           H        LEU  20   4.142  -0.713  -3.510
  524    HA   LEU  20           HA       LEU  20   1.666  -1.899  -2.758
  525   1HB   LEU  20          1HB       LEU  20   3.711  -0.297  -1.228
  526   2HB   LEU  20          2HB       LEU  20   2.267  -0.956  -0.482
  527    HG   LEU  20           HG       LEU  20   4.118  -2.782  -1.962
  528   1HD1  LEU  20          1HD1      LEU  20   5.488  -1.401  -0.404
  529   2HD1  LEU  20          2HD1      LEU  20   4.487  -1.996   0.921
  530   3HD1  LEU  20          3HD1      LEU  20   5.465  -3.121  -0.019
  531   1HD2  LEU  20          1HD2      LEU  20   1.761  -3.037  -0.412
  532   2HD2  LEU  20          2HD2      LEU  20   2.720  -4.309  -1.168
  533   3HD2  LEU  20          3HD2      LEU  20   3.078  -3.797   0.481
  534    H    GLN  21           H        GLN  21   2.837   1.398  -3.126
  535    HA   GLN  21           HA       GLN  21   0.645   2.743  -2.002
  536   1HB   GLN  21          1HB       GLN  21   3.010   3.413  -3.489
  537   2HB   GLN  21          2HB       GLN  21   1.644   4.309  -4.135
  538   1HG   GLN  21          1HG       GLN  21   2.609   4.290  -1.287
  539   2HG   GLN  21          2HG       GLN  21   2.750   5.610  -2.445
  540   2HE2  GLN  21          2HE2      GLN  21   0.047   5.176  -3.501
  541   1HE2  GLN  21          1HE2      GLN  21  -1.031   5.790  -2.303
  542    H    LYS  22           H        LYS  22   1.302   1.759  -5.356
  543    HA   LYS  22           HA       LYS  22  -1.043   2.860  -6.466
  544   1HB   LYS  22          1HB       LYS  22  -0.611   1.308  -8.361
  545   2HB   LYS  22          2HB       LYS  22   0.801   2.246  -7.893
  546   1HG   LYS  22          1HG       LYS  22   1.742   0.354  -6.746
  547   2HG   LYS  22          2HG       LYS  22   0.282  -0.593  -7.038
  548   1HD   LYS  22          1HD       LYS  22   1.259   0.446  -9.521
  549   2HD   LYS  22          2HD       LYS  22   2.568  -0.380  -8.672
  550   1HE   LYS  22          1HE       LYS  22   1.486  -2.415  -8.704
  551   2HE   LYS  22          2HE       LYS  22  -0.111  -1.681  -8.847
  552   1HZ   LYS  22          1HZ       LYS  22   1.232  -0.933 -11.122
  553   2HZ   LYS  22          2HZ       LYS  22   1.656  -2.556 -10.898
  554   3HZ   LYS  22          3HZ       LYS  22   0.027  -2.114 -11.005
  555    H    GLU  23           H        GLU  23  -0.371  -0.211  -4.911
  556    HA   GLU  23           HA       GLU  23  -2.756  -1.528  -5.678
  557   1HB   GLU  23          1HB       GLU  23  -0.520  -2.400  -4.550
  558   2HB   GLU  23          2HB       GLU  23  -1.445  -2.158  -3.075
  559   1HG   GLU  23          1HG       GLU  23  -3.102  -3.709  -3.755
  560   2HG   GLU  23          2HG       GLU  23  -2.449  -3.787  -5.390
  561    H    ILE  24           H        ILE  24  -1.917   0.544  -2.951
  562    HA   ILE  24           HA       ILE  24  -4.280   0.085  -1.466
  563    HB   ILE  24           HB       ILE  24  -3.565   1.657   0.024
  564   1HG1  ILE  24          1HG1      ILE  24  -2.045   3.649  -0.771
  565   2HG1  ILE  24          2HG1      ILE  24  -2.744   3.297  -2.348
  566   1HG2  ILE  24          1HG2      ILE  24  -1.593   0.129  -0.976
  567   2HG2  ILE  24          2HG2      ILE  24  -0.888   1.731  -1.183
  568   3HG2  ILE  24          3HG2      ILE  24  -1.407   1.196   0.415
  569   1HD1  ILE  24          1HD1      ILE  24  -4.838   3.376  -0.426
  570   2HD1  ILE  24          2HD1      ILE  24  -3.839   4.820  -0.246
  571   3HD1  ILE  24          3HD1      ILE  24  -4.558   4.435  -1.810
  572    H    GLU  25           H        GLU  25  -3.416   2.423  -3.958
  573    HA   GLU  25           HA       GLU  25  -5.717   4.026  -3.832
  574   1HB   GLU  25          1HB       GLU  25  -3.573   4.496  -5.106
  575   2HB   GLU  25          2HB       GLU  25  -4.165   3.395  -6.344
  576   1HG   GLU  25          1HG       GLU  25  -6.292   4.995  -6.153
  577   2HG   GLU  25          2HG       GLU  25  -5.039   6.130  -5.656
  578    H    ARG  26           H        ARG  26  -5.016   1.063  -5.631
  579    HA   ARG  26           HA       ARG  26  -7.330   0.958  -7.190
  580   1HB   ARG  26          1HB       ARG  26  -5.401  -0.544  -7.507
  581   2HB   ARG  26          2HB       ARG  26  -5.778  -1.348  -5.990
  582   1HG   ARG  26          1HG       ARG  26  -7.672  -2.371  -6.853
  583   2HG   ARG  26          2HG       ARG  26  -7.804  -1.221  -8.186
  584   1HD   ARG  26          1HD       ARG  26  -6.474  -2.443  -9.498
  585   2HD   ARG  26          2HD       ARG  26  -5.284  -2.664  -8.215
  586    HE   ARG  26           HE       ARG  26  -6.161  -4.734  -7.833
  587   1HH1  ARG  26          1HH1      ARG  26  -8.512  -2.831  -9.560
  588   2HH1  ARG  26          2HH1      ARG  26  -9.617  -4.147  -9.766
  589   1HH2  ARG  26          1HH2      ARG  26  -7.611  -6.475  -8.098
  590   2HH2  ARG  26          2HH2      ARG  26  -9.106  -6.220  -8.935
  591    H    HIS  27           H        HIS  27  -6.691  -0.229  -3.909
  592    HA   HIS  27           HA       HIS  27  -9.281  -1.343  -3.538
  593   1HB   HIS  27          1HB       HIS  27  -6.850  -1.153  -2.052
  594   2HB   HIS  27          2HB       HIS  27  -8.160  -0.565  -1.035
  595    HD1  HIS  27           HD1      HIS  27 -10.217  -2.293  -0.739
  596    HD2  HIS  27           HD2      HIS  27  -6.671  -3.866  -2.229
  597    HE1  HIS  27           HE1      HIS  27 -10.406  -4.783  -0.435
  598    HE2  HIS  27           HE2      HIS  27  -8.248  -5.715  -1.344
  599    H    LYS  28           H        LYS  28  -7.941   1.834  -3.335
  600    HA   LYS  28           HA       LYS  28  -9.946   2.965  -1.661
  601   1HB   LYS  28          1HB       LYS  28  -7.599   3.878  -2.128
  602   2HB   LYS  28          2HB       LYS  28  -8.262   4.485  -3.639
  603   1HG   LYS  28          1HG       LYS  28 -10.075   5.513  -2.014
  604   2HG   LYS  28          2HG       LYS  28  -8.752   5.378  -0.854
  605   1HD   LYS  28          1HD       LYS  28  -8.232   6.592  -3.531
  606   2HD   LYS  28          2HD       LYS  28  -9.045   7.549  -2.291
  607   1HE   LYS  28          1HE       LYS  28  -7.193   7.213  -0.770
  608   2HE   LYS  28          2HE       LYS  28  -6.397   6.151  -1.930
  609   1HZ   LYS  28          1HZ       LYS  28  -7.079   8.889  -2.743
  610   2HZ   LYS  28          2HZ       LYS  28  -5.731   8.646  -1.751
  611   3HZ   LYS  28          3HZ       LYS  28  -5.813   7.897  -3.266
  612    H    GLN  29           H        GLN  29  -9.662   2.295  -5.045
  613    HA   GLN  29           HA       GLN  29 -11.767   4.066  -5.866
  614   1HB   GLN  29          1HB       GLN  29  -9.999   3.418  -7.430
  615   2HB   GLN  29          2HB       GLN  29 -10.478   1.732  -7.296
  616   1HG   GLN  29          1HG       GLN  29 -12.795   2.642  -8.100
  617   2HG   GLN  29          2HG       GLN  29 -11.821   3.980  -8.708
  618   2HE2  GLN  29          2HE2      GLN  29 -13.220   2.461 -10.455
  619   1HE2  GLN  29          1HE2      GLN  29 -12.150   1.479 -11.391
  620    H    SER  30           H        SER  30 -11.462   0.604  -5.195
  621    HA   SER  30           HA       SER  30 -14.120  -0.071  -5.912
  622   1HB   SER  30          1HB       SER  30 -11.867  -1.397  -4.532
  623   2HB   SER  30          2HB       SER  30 -13.471  -1.999  -4.116
  624    HG   SER  30           HG       SER  30 -12.756  -3.134  -5.889
  625    H    ILE  31           H        ILE  31 -12.615   0.865  -2.852
  626    HA   ILE  31           HA       ILE  31 -14.943   0.436  -1.264
  627    HB   ILE  31           HB       ILE  31 -12.796   0.412  -0.188
  628   1HG1  ILE  31          1HG1      ILE  31 -13.086   2.295   1.521
  629   2HG1  ILE  31          2HG1      ILE  31 -14.509   2.770   0.597
  630   1HG2  ILE  31          1HG2      ILE  31 -12.169   2.482  -1.913
  631   2HG2  ILE  31          2HG2      ILE  31 -12.160   3.237  -0.321
  632   3HG2  ILE  31          3HG2      ILE  31 -11.145   1.831  -0.636
  633   1HD1  ILE  31          1HD1      ILE  31 -15.294   0.373   0.913
  634   2HD1  ILE  31          2HD1      ILE  31 -14.016   0.254   2.122
  635   3HD1  ILE  31          3HD1      ILE  31 -15.311   1.431   2.325
  636    H    LYS  32           H        LYS  32 -13.616   3.186  -3.009
  637    HA   LYS  32           HA       LYS  32 -15.458   5.084  -1.918
  638   1HB   LYS  32          1HB       LYS  32 -13.192   5.619  -2.906
  639   2HB   LYS  32          2HB       LYS  32 -13.899   5.334  -4.490
  640   1HG   LYS  32          1HG       LYS  32 -15.319   7.189  -4.316
  641   2HG   LYS  32          2HG       LYS  32 -15.068   7.323  -2.575
  642   1HD   LYS  32          1HD       LYS  32 -13.677   8.992  -3.262
  643   2HD   LYS  32          2HD       LYS  32 -12.547   7.639  -3.353
  644   1HE   LYS  32          1HE       LYS  32 -12.230   8.108  -5.500
  645   2HE   LYS  32          2HE       LYS  32 -13.912   7.680  -5.804
  646   1HZ   LYS  32          1HZ       LYS  32 -14.499  10.005  -5.259
  647   2HZ   LYS  32          2HZ       LYS  32 -12.852  10.375  -5.154
  648   3HZ   LYS  32          3HZ       LYS  32 -13.515   9.870  -6.627
  649    H    LYS  33           H        LYS  33 -15.599   2.736  -4.424
  650    HA   LYS  33           HA       LYS  33 -17.701   4.031  -5.907
  651   1HB   LYS  33          1HB       LYS  33 -16.093   2.561  -7.034
  652   2HB   LYS  33          2HB       LYS  33 -16.646   1.204  -6.062
  653   1HG   LYS  33          1HG       LYS  33 -18.755   1.176  -7.126
  654   2HG   LYS  33          2HG       LYS  33 -18.470   2.743  -7.886
  655   1HD   LYS  33          1HD       LYS  33 -17.293   1.842  -9.576
  656   2HD   LYS  33          2HD       LYS  33 -16.450   0.713  -8.513
  657   1HE   LYS  33          1HE       LYS  33 -17.696  -0.752  -9.754
  658   2HE   LYS  33          2HE       LYS  33 -18.809  -0.446  -8.421
  659   1HZ   LYS  33          1HZ       LYS  33 -18.950   1.263 -10.801
  660   2HZ   LYS  33          2HZ       LYS  33 -19.613  -0.292 -10.878
  661   3HZ   LYS  33          3HZ       LYS  33 -20.176   0.812  -9.727
  662    H    LEU  34           H        LEU  34 -17.471   1.443  -3.497
  663    HA   LEU  34           HA       LEU  34 -20.285   0.846  -3.686
  664   1HB   LEU  34          1HB       LEU  34 -18.206  -0.024  -1.679
  665   2HB   LEU  34          2HB       LEU  34 -19.850  -0.632  -1.748
  666    HG   LEU  34           HG       LEU  34 -18.153  -0.873  -4.187
  667   1HD1  LEU  34          1HD1      LEU  34 -16.783  -1.624  -2.217
  668   2HD1  LEU  34          2HD1      LEU  34 -18.012  -2.856  -1.930
  669   3HD1  LEU  34          3HD1      LEU  34 -17.097  -2.858  -3.437
  670   1HD2  LEU  34          1HD2      LEU  34 -20.538  -1.496  -4.193
  671   2HD2  LEU  34          2HD2      LEU  34 -19.478  -2.868  -4.518
  672   3HD2  LEU  34          3HD2      LEU  34 -20.211  -2.678  -2.925
  673    H    LYS  35           H        LYS  35 -18.268   2.989  -1.877
  674    HA   LYS  35           HA       LYS  35 -20.249   3.455   0.184
  675   1HB   LYS  35          1HB       LYS  35 -18.674   4.952   1.159
  676   2HB   LYS  35          2HB       LYS  35 -17.762   3.561   0.591
  677   1HG   LYS  35          1HG       LYS  35 -16.409   5.180  -0.207
  678   2HG   LYS  35          2HG       LYS  35 -17.532   5.108  -1.567
  679   1HD   LYS  35          1HD       LYS  35 -18.140   7.220  -1.228
  680   2HD   LYS  35          2HD       LYS  35 -18.569   6.863   0.447
  681   1HE   LYS  35          1HE       LYS  35 -16.056   7.027   0.921
  682   2HE   LYS  35          2HE       LYS  35 -15.937   7.788  -0.665
  683   1HZ   LYS  35          1HZ       LYS  35 -17.970   9.133   0.512
  684   2HZ   LYS  35          2HZ       LYS  35 -16.921   8.862   1.811
  685   3HZ   LYS  35          3HZ       LYS  35 -16.367   9.665   0.430
  686    H    GLN  36           H        GLN  36 -19.206   4.870  -2.830
  687    HA   GLN  36           HA       GLN  36 -20.655   7.331  -2.441
  688   1HB   GLN  36          1HB       GLN  36 -19.070   6.117  -4.666
  689   2HB   GLN  36          2HB       GLN  36 -20.170   7.439  -5.030
  690   1HG   GLN  36          1HG       GLN  36 -18.721   8.250  -2.777
  691   2HG   GLN  36          2HG       GLN  36 -17.551   7.512  -3.871
  692   2HE2  GLN  36          2HE2      GLN  36 -19.134  10.311  -3.088
  693   1HE2  GLN  36          1HE2      GLN  36 -18.889  11.190  -4.555
  694    H    SER  37           H        SER  37 -21.220   4.216  -3.913
  695    HA   SER  37           HA       SER  37 -23.582   5.009  -5.331
  696   1HB   SER  37          1HB       SER  37 -22.621   3.140  -6.308
  697   2HB   SER  37          2HB       SER  37 -22.207   2.412  -4.757
  698    HG   SER  37           HG       SER  37 -24.205   1.749  -6.210
  699    H    GLU  38           H        GLU  38 -22.848   3.902  -2.130
  700    HA   GLU  38           HA       GLU  38 -25.498   3.067  -1.456
  701   1HB   GLU  38          1HB       GLU  38 -22.907   3.268  -0.124
  702   2HB   GLU  38          2HB       GLU  38 -24.248   3.691   0.932
  703   1HG   GLU  38          1HG       GLU  38 -24.240   1.172  -0.692
  704   2HG   GLU  38          2HG       GLU  38 -23.490   1.266   0.900
  705    H    ASP  39           H        ASP  39 -23.787   6.083  -1.482
  706    HA   ASP  39           HA       ASP  39 -25.604   7.456   0.269
  707   1HB   ASP  39          1HB       ASP  39 -23.139   8.044  -0.230
  708   2HB   ASP  39          2HB       ASP  39 -23.760   8.798  -1.696
  709    H    ASP  40           H        ASP  40 -25.437   6.747  -3.114
  710    HA   ASP  40           HA       ASP  40 -26.909   7.090  -4.815
  711   1HB   ASP  40          1HB       ASP  40 -28.525   7.448  -2.409
  712   2HB   ASP  40          2HB       ASP  40 -29.132   8.374  -3.779
  713    H    ASP  41           H        ASP  41 -27.901   8.817  -6.123
  714    HA   ASP  41           HA       ASP  41 -27.657  10.824  -7.179
  715   1HB   ASP  41          1HB       ASP  41 -27.788  11.991  -4.396
  716   2HB   ASP  41          2HB       ASP  41 -28.289  12.751  -5.904

  No H/Q in entry =         716
  Start of MODEL   32
    1    H1   ALA   1           H1       ALA   1 -24.836   8.746   5.125
    2    H2   ALA   1           H2       ALA   1 -23.141   8.473   5.089
    3    H3   ALA   1           H3       ALA   1 -24.071   8.310   3.654
    4    HA   ALA   1           HA       ALA   1 -23.833   6.176   4.215
    5   1HB   ALA   1          1HB       ALA   1 -23.245   7.296   6.789
    6   2HB   ALA   1          2HB       ALA   1 -22.797   5.726   6.124
    7   3HB   ALA   1          3HB       ALA   1 -24.336   5.922   6.963
    8    H    LEU   2           H        LEU   2 -25.695   5.597   3.248
    9    HA   LEU   2           HA       LEU   2 -28.096   5.496   4.932
   10   1HB   LEU   2          1HB       LEU   2 -28.227   6.221   2.014
   11   2HB   LEU   2          2HB       LEU   2 -29.514   6.292   3.202
   12    HG   LEU   2           HG       LEU   2 -27.388   7.990   4.075
   13   1HD1  LEU   2          1HD1      LEU   2 -26.896   7.899   1.565
   14   2HD1  LEU   2          2HD1      LEU   2 -28.400   8.798   1.371
   15   3HD1  LEU   2          3HD1      LEU   2 -27.076   9.485   2.312
   16   1HD2  LEU   2          1HD2      LEU   2 -29.949   8.007   4.442
   17   2HD2  LEU   2          2HD2      LEU   2 -29.089   9.542   4.323
   18   3HD2  LEU   2          3HD2      LEU   2 -29.991   8.927   2.937
   19    H    LYS   3           H        LYS   3 -26.039   3.540   4.039
   20    HA   LYS   3           HA       LYS   3 -27.910   1.543   3.007
   21   1HB   LYS   3          1HB       LYS   3 -25.139   1.942   1.866
   22   2HB   LYS   3          2HB       LYS   3 -26.289   0.699   1.393
   23   1HG   LYS   3          1HG       LYS   3 -27.114   2.056  -0.141
   24   2HG   LYS   3          2HG       LYS   3 -27.590   3.193   1.123
   25   1HD   LYS   3          1HD       LYS   3 -24.853   3.579   0.833
   26   2HD   LYS   3          2HD       LYS   3 -25.445   3.371  -0.816
   27   1HE   LYS   3          1HE       LYS   3 -27.286   5.045  -0.107
   28   2HE   LYS   3          2HE       LYS   3 -26.189   5.444   1.215
   29   1HZ   LYS   3          1HZ       LYS   3 -25.525   5.587  -1.677
   30   2HZ   LYS   3          2HZ       LYS   3 -25.876   6.910  -0.684
   31   3HZ   LYS   3          3HZ       LYS   3 -24.486   5.988  -0.403
   32    H    LYS   4           H        LYS   4 -27.562  -0.523   3.751
   33    HA   LYS   4           HA       LYS   4 -25.605  -0.752   5.917
   34   1HB   LYS   4          1HB       LYS   4 -28.171  -2.143   5.259
   35   2HB   LYS   4          2HB       LYS   4 -26.988  -2.961   6.270
   36   1HG   LYS   4          1HG       LYS   4 -28.654  -1.804   7.611
   37   2HG   LYS   4          2HG       LYS   4 -27.047  -1.117   7.859
   38   1HD   LYS   4          1HD       LYS   4 -28.549   0.161   5.702
   39   2HD   LYS   4          2HD       LYS   4 -29.321   0.305   7.282
   40   1HE   LYS   4          1HE       LYS   4 -27.161   1.139   8.192
   41   2HE   LYS   4          2HE       LYS   4 -26.509   1.118   6.554
   42   1HZ   LYS   4          1HZ       LYS   4 -28.999   2.525   6.745
   43   2HZ   LYS   4          2HZ       LYS   4 -27.798   3.202   7.726
   44   3HZ   LYS   4          3HZ       LYS   4 -27.531   3.019   6.067
   45    H    HIS   5           H        HIS   5 -26.948  -3.057   3.548
   46    HA   HIS   5           HA       HIS   5 -24.871  -4.870   3.585
   47   1HB   HIS   5          1HB       HIS   5 -25.613  -5.294   1.118
   48   2HB   HIS   5          2HB       HIS   5 -26.746  -5.609   2.428
   49    HD1  HIS   5           HD1      HIS   5 -28.978  -4.566   2.173
   50    HD2  HIS   5           HD2      HIS   5 -26.084  -2.619  -0.089
   51    HE1  HIS   5           HE1      HIS   5 -30.218  -2.820   0.853
   52    HE2  HIS   5           HE2      HIS   5 -28.447  -1.652  -0.509
   53    H    HIS   6           H        HIS   6 -25.209  -1.935   1.656
   54    HA   HIS   6           HA       HIS   6 -22.946  -2.282   0.028
   55   1HB   HIS   6          1HB       HIS   6 -24.943  -0.404   0.228
   56   2HB   HIS   6          2HB       HIS   6 -23.535   0.496   0.781
   57    HD1  HIS   6           HD1      HIS   6 -23.332  -2.122  -1.912
   58    HD2  HIS   6           HD2      HIS   6 -23.278   2.016  -1.520
   59    HE1  HIS   6           HE1      HIS   6 -22.655  -1.242  -4.168
   60    HE2  HIS   6           HE2      HIS   6 -22.629   1.265  -3.908
   61    H    GLU   7           H        GLU   7 -23.346  -0.841   3.228
   62    HA   GLU   7           HA       GLU   7 -20.709   0.171   3.434
   63   1HB   GLU   7          1HB       GLU   7 -22.844   0.669   4.868
   64   2HB   GLU   7          2HB       GLU   7 -22.287  -0.691   5.833
   65   1HG   GLU   7          1HG       GLU   7 -20.726   0.531   6.824
   66   2HG   GLU   7          2HG       GLU   7 -20.151   1.179   5.288
   67    H    ASN   8           H        ASN   8 -22.134  -2.952   3.982
   68    HA   ASN   8           HA       ASN   8 -20.075  -4.074   5.558
   69   1HB   ASN   8          1HB       ASN   8 -22.479  -4.987   4.248
   70   2HB   ASN   8          2HB       ASN   8 -21.170  -6.133   3.977
   71   2HD2  ASN   8          2HD2      ASN   8 -23.356  -6.861   5.422
   72   1HD2  ASN   8          1HD2      ASN   8 -22.928  -7.054   7.085
   73    H    GLU   9           H        GLU   9 -20.680  -4.068   2.059
   74    HA   GLU   9           HA       GLU   9 -18.482  -5.606   1.287
   75   1HB   GLU   9          1HB       GLU   9 -20.522  -4.239  -0.011
   76   2HB   GLU   9          2HB       GLU   9 -19.062  -3.432  -0.569
   77   1HG   GLU   9          1HG       GLU   9 -19.245  -5.068  -2.137
   78   2HG   GLU   9          2HG       GLU   9 -18.233  -5.890  -0.952
   79    H    ILE  10           H        ILE  10 -18.759  -2.039   1.437
   80    HA   ILE  10           HA       ILE  10 -16.063  -1.554   0.822
   81    HB   ILE  10           HB       ILE  10 -16.376   0.681   1.614
   82   1HG1  ILE  10          1HG1      ILE  10 -18.900  -0.331   2.942
   83   2HG1  ILE  10          2HG1      ILE  10 -17.439   0.207   3.767
   84   1HG2  ILE  10          1HG2      ILE  10 -18.597  -0.609   0.124
   85   2HG2  ILE  10          2HG2      ILE  10 -18.765   1.085   0.581
   86   3HG2  ILE  10          3HG2      ILE  10 -17.403   0.570  -0.417
   87   1HD1  ILE  10          1HD1      ILE  10 -18.252   2.287   2.036
   88   2HD1  ILE  10          2HD1      ILE  10 -19.674   1.736   2.923
   89   3HD1  ILE  10          3HD1      ILE  10 -18.238   2.265   3.800
   90    H    SER  11           H        SER  11 -17.604  -2.612   3.724
   91    HA   SER  11           HA       SER  11 -15.701  -1.794   5.621
   92   1HB   SER  11          1HB       SER  11 -18.055  -3.069   5.823
   93   2HB   SER  11          2HB       SER  11 -16.983  -4.463   5.951
   94    HG   SER  11           HG       SER  11 -17.061  -2.165   7.603
   95    H    HIS  12           H        HIS  12 -15.958  -4.721   3.630
   96    HA   HIS  12           HA       HIS  12 -13.588  -5.918   4.624
   97   1HB   HIS  12          1HB       HIS  12 -14.523  -7.635   3.528
   98   2HB   HIS  12          2HB       HIS  12 -15.650  -6.554   2.729
   99    HD1  HIS  12           HD1      HIS  12 -12.116  -7.876   2.231
  100    HD2  HIS  12           HD2      HIS  12 -15.352  -6.460   0.043
  101    HE1  HIS  12           HE1      HIS  12 -11.487  -8.199  -0.183
  102    HE2  HIS  12           HE2      HIS  12 -13.460  -7.337  -1.492
  103    H    HIS  13           H        HIS  13 -14.270  -3.622   2.066
  104    HA   HIS  13           HA       HIS  13 -11.664  -3.728   0.883
  105   1HB   HIS  13          1HB       HIS  13 -13.626  -1.440   0.721
  106   2HB   HIS  13          2HB       HIS  13 -12.330  -1.818  -0.405
  107    HD1  HIS  13           HD1      HIS  13 -13.070  -4.914  -0.619
  108    HD2  HIS  13           HD2      HIS  13 -15.650  -1.696  -1.101
  109    HE1  HIS  13           HE1      HIS  13 -14.955  -5.774  -2.047
  110    HE2  HIS  13           HE2      HIS  13 -16.509  -3.810  -2.326
  111    H    ALA  14           H        ALA  14 -12.955  -2.259   3.694
  112    HA   ALA  14           HA       ALA  14 -11.067  -0.093   3.821
  113   1HB   ALA  14          1HB       ALA  14 -13.450  -0.817   5.177
  114   2HB   ALA  14          2HB       ALA  14 -12.537   0.688   5.292
  115   3HB   ALA  14          3HB       ALA  14 -12.173  -0.651   6.382
  116    H    LYS  15           H        LYS  15 -11.416  -3.297   5.255
  117    HA   LYS  15           HA       LYS  15  -9.050  -3.024   6.868
  118   1HB   LYS  15          1HB       LYS  15 -11.222  -4.683   6.962
  119   2HB   LYS  15          2HB       LYS  15 -10.003  -5.746   6.275
  120   1HG   LYS  15          1HG       LYS  15  -8.705  -5.709   8.168
  121   2HG   LYS  15          2HG       LYS  15  -9.332  -4.148   8.697
  122   1HD   LYS  15          1HD       LYS  15 -10.836  -5.162   9.982
  123   2HD   LYS  15          2HD       LYS  15 -11.484  -6.019   8.582
  124   1HE   LYS  15          1HE       LYS  15 -10.122  -7.873   8.932
  125   2HE   LYS  15          2HE       LYS  15  -8.983  -6.967   9.928
  126   1HZ   LYS  15          1HZ       LYS  15 -10.744  -6.803  11.631
  127   2HZ   LYS  15          2HZ       LYS  15 -11.727  -7.806  10.688
  128   3HZ   LYS  15          3HZ       LYS  15 -10.274  -8.398  11.320
  129    H    GLU  16           H        GLU  16  -9.804  -4.046   3.652
  130    HA   GLU  16           HA       GLU  16  -7.351  -5.498   3.246
  131   1HB   GLU  16          1HB       GLU  16  -9.777  -4.910   1.701
  132   2HB   GLU  16          2HB       GLU  16  -8.309  -4.949   0.735
  133   1HG   GLU  16          1HG       GLU  16  -9.275  -7.121   0.704
  134   2HG   GLU  16          2HG       GLU  16  -7.814  -7.189   1.690
  135    H    ILE  17           H        ILE  17  -8.597  -2.269   2.530
  136    HA   ILE  17           HA       ILE  17  -6.291  -1.487   1.004
  137    HB   ILE  17           HB       ILE  17  -8.502  -0.472   0.648
  138   1HG1  ILE  17          1HG1      ILE  17  -6.370   0.740   0.103
  139   2HG1  ILE  17          2HG1      ILE  17  -7.771   1.772   0.331
  140   1HG2  ILE  17          1HG2      ILE  17  -8.881  -0.458   3.247
  141   2HG2  ILE  17          2HG2      ILE  17  -8.231   1.174   3.115
  142   3HG2  ILE  17          3HG2      ILE  17  -9.673   0.723   2.205
  143   1HD1  ILE  17          1HD1      ILE  17  -6.664   1.687   2.838
  144   2HD1  ILE  17          2HD1      ILE  17  -5.258   1.705   1.773
  145   3HD1  ILE  17          3HD1      ILE  17  -6.470   2.981   1.657
  146    H    GLU  18           H        GLU  18  -7.319  -1.231   4.357
  147    HA   GLU  18           HA       GLU  18  -5.166   0.528   5.092
  148   1HB   GLU  18          1HB       GLU  18  -7.257   0.596   6.336
  149   2HB   GLU  18          2HB       GLU  18  -7.079  -1.096   6.780
  150   1HG   GLU  18          1HG       GLU  18  -4.852  -0.314   7.853
  151   2HG   GLU  18          2HG       GLU  18  -5.583   1.288   7.773
  152    H    ARG  19           H        ARG  19  -5.690  -2.900   4.925
  153    HA   ARG  19           HA       ARG  19  -3.437  -3.575   6.585
  154   1HB   ARG  19          1HB       ARG  19  -5.360  -5.071   6.459
  155   2HB   ARG  19          2HB       ARG  19  -5.110  -5.276   4.731
  156   1HG   ARG  19          1HG       ARG  19  -2.719  -6.068   5.549
  157   2HG   ARG  19          2HG       ARG  19  -3.627  -6.437   7.017
  158   1HD   ARG  19          1HD       ARG  19  -5.284  -7.624   5.471
  159   2HD   ARG  19          2HD       ARG  19  -4.023  -7.519   4.244
  160    HE   ARG  19           HE       ARG  19  -2.853  -9.159   5.342
  161   1HH1  ARG  19          1HH1      ARG  19  -5.395  -7.966   7.402
  162   2HH1  ARG  19          2HH1      ARG  19  -5.185  -9.203   8.596
  163   1HH2  ARG  19          1HH2      ARG  19  -2.568 -10.794   6.906
  164   2HH2  ARG  19          2HH2      ARG  19  -3.578 -10.811   8.314
  165    H    LEU  20           H        LEU  20  -4.062  -3.233   3.127
  166    HA   LEU  20           HA       LEU  20  -1.518  -4.357   2.402
  167   1HB   LEU  20          1HB       LEU  20  -3.592  -2.864   0.801
  168   2HB   LEU  20          2HB       LEU  20  -2.135  -3.557   0.116
  169    HG   LEU  20           HG       LEU  20  -4.252  -5.170   1.536
  170   1HD1  LEU  20          1HD1      LEU  20  -3.886  -4.491  -1.362
  171   2HD1  LEU  20          2HD1      LEU  20  -4.716  -5.959  -0.847
  172   3HD1  LEU  20          3HD1      LEU  20  -5.343  -4.381  -0.374
  173   1HD2  LEU  20          1HD2      LEU  20  -2.001  -6.150   1.531
  174   2HD2  LEU  20          2HD2      LEU  20  -3.127  -7.075   0.537
  175   3HD2  LEU  20          3HD2      LEU  20  -1.951  -6.005  -0.225
  176    H    GLN  21           H        GLN  21  -2.808  -1.233   3.182
  177    HA   GLN  21           HA       GLN  21  -0.653   0.272   2.024
  178   1HB   GLN  21          1HB       GLN  21  -2.724   1.438   2.330
  179   2HB   GLN  21          2HB       GLN  21  -2.815   0.966   4.021
  180   1HG   GLN  21          1HG       GLN  21  -1.782   2.826   4.611
  181   2HG   GLN  21          2HG       GLN  21  -0.392   2.395   3.618
  182   2HE2  GLN  21          2HE2      GLN  21  -0.661   2.869   1.254
  183   1HE2  GLN  21          1HE2      GLN  21  -1.427   4.359   0.833
  184    H    LYS  22           H        LYS  22  -1.443  -1.060   5.185
  185    HA   LYS  22           HA       LYS  22   0.651   0.121   6.643
  186   1HB   LYS  22          1HB       LYS  22  -1.207  -0.953   7.773
  187   2HB   LYS  22          2HB       LYS  22  -0.789  -2.504   7.057
  188   1HG   LYS  22          1HG       LYS  22   1.502  -2.067   8.285
  189   2HG   LYS  22          2HG       LYS  22   0.489  -1.042   9.303
  190   1HD   LYS  22          1HD       LYS  22   0.465  -3.139  10.356
  191   2HD   LYS  22          2HD       LYS  22  -1.067  -3.059   9.485
  192   1HE   LYS  22          1HE       LYS  22   0.023  -4.313   7.618
  193   2HE   LYS  22          2HE       LYS  22   1.434  -4.521   8.655
  194   1HZ   LYS  22          1HZ       LYS  22  -0.029  -5.641  10.272
  195   2HZ   LYS  22          2HZ       LYS  22  -1.308  -5.538   9.168
  196   3HZ   LYS  22          3HZ       LYS  22   0.060  -6.459   8.793
  197    H    GLU  23           H        GLU  23   0.426  -2.988   4.938
  198    HA   GLU  23           HA       GLU  23   2.982  -3.939   5.568
  199   1HB   GLU  23          1HB       GLU  23   0.879  -4.954   4.209
  200   2HB   GLU  23          2HB       GLU  23   1.937  -4.552   2.864
  201   1HG   GLU  23          1HG       GLU  23   3.007  -6.453   3.196
  202   2HG   GLU  23          2HG       GLU  23   3.555  -5.836   4.754
  203    H    ILE  24           H        ILE  24   1.882  -2.130   2.694
  204    HA   ILE  24           HA       ILE  24   4.453  -1.913   1.545
  205    HB   ILE  24           HB       ILE  24   2.491  -1.575   0.187
  206   1HG1  ILE  24          1HG1      ILE  24   4.747  -0.307  -0.166
  207   2HG1  ILE  24          2HG1      ILE  24   3.359   0.071  -1.172
  208   1HG2  ILE  24          1HG2      ILE  24   1.134  -0.503   1.992
  209   2HG2  ILE  24          2HG2      ILE  24   1.955   1.006   1.604
  210   3HG2  ILE  24          3HG2      ILE  24   0.972   0.197   0.383
  211   1HD1  ILE  24          1HD1      ILE  24   3.545   1.690   1.254
  212   2HD1  ILE  24          2HD1      ILE  24   4.888   1.895   0.136
  213   3HD1  ILE  24          3HD1      ILE  24   3.238   2.169  -0.414
  214    H    GLU  25           H        GLU  25   2.984  -0.295   4.179
  215    HA   GLU  25           HA       GLU  25   4.463   2.137   4.040
  216   1HB   GLU  25          1HB       GLU  25   2.311   1.607   5.387
  217   2HB   GLU  25          2HB       GLU  25   3.407   0.940   6.589
  218   1HG   GLU  25          1HG       GLU  25   4.545   3.108   6.732
  219   2HG   GLU  25          2HG       GLU  25   3.404   3.770   5.562
  220    H    ARG  26           H        ARG  26   4.913  -0.991   5.598
  221    HA   ARG  26           HA       ARG  26   7.223  -0.305   7.082
  222   1HB   ARG  26          1HB       ARG  26   5.940  -2.860   6.210
  223   2HB   ARG  26          2HB       ARG  26   7.581  -2.913   6.839
  224   1HG   ARG  26          1HG       ARG  26   6.930  -2.192   8.950
  225   2HG   ARG  26          2HG       ARG  26   5.398  -1.543   8.360
  226   1HD   ARG  26          1HD       ARG  26   4.583  -3.457   9.246
  227   2HD   ARG  26          2HD       ARG  26   5.080  -4.120   7.690
  228    HE   ARG  26           HE       ARG  26   7.165  -4.225   9.643
  229   1HH1  ARG  26          1HH1      ARG  26   4.286  -5.815   8.497
  230   2HH1  ARG  26          2HH1      ARG  26   4.751  -7.372   9.097
  231   1HH2  ARG  26          1HH2      ARG  26   7.787  -6.270  10.436
  232   2HH2  ARG  26          2HH2      ARG  26   6.741  -7.631  10.200
  233    H    HIS  27           H        HIS  27   6.789  -1.902   3.928
  234    HA   HIS  27           HA       HIS  27   9.554  -2.134   3.373
  235   1HB   HIS  27          1HB       HIS  27   7.028  -2.571   1.942
  236   2HB   HIS  27          2HB       HIS  27   8.349  -2.051   0.901
  237    HD1  HIS  27           HD1      HIS  27  10.704  -3.551   1.658
  238    HD2  HIS  27           HD2      HIS  27   6.930  -5.260   1.982
  239    HE1  HIS  27           HE1      HIS  27  11.090  -6.037   1.668
  240    HE2  HIS  27           HE2      HIS  27   8.792  -7.051   1.866
  241    H    LYS  28           H        LYS  28   7.289   0.461   3.150
  242    HA   LYS  28           HA       LYS  28   8.794   2.017   1.272
  243   1HB   LYS  28          1HB       LYS  28   6.362   2.274   1.464
  244   2HB   LYS  28          2HB       LYS  28   6.549   2.819   3.127
  245   1HG   LYS  28          1HG       LYS  28   8.200   4.483   1.607
  246   2HG   LYS  28          2HG       LYS  28   6.705   4.318   0.685
  247   1HD   LYS  28          1HD       LYS  28   6.896   5.110   3.591
  248   2HD   LYS  28          2HD       LYS  28   6.624   6.217   2.243
  249   1HE   LYS  28          1HE       LYS  28   4.738   4.079   2.092
  250   2HE   LYS  28          2HE       LYS  28   4.712   4.751   3.722
  251   1HZ   LYS  28          1HZ       LYS  28   4.648   6.548   1.390
  252   2HZ   LYS  28          2HZ       LYS  28   3.228   5.785   1.905
  253   3HZ   LYS  28          3HZ       LYS  28   4.066   6.810   2.956
  254    H    GLN  29           H        GLN  29   8.789   1.563   4.694
  255    HA   GLN  29           HA       GLN  29  10.164   4.018   5.287
  256   1HB   GLN  29          1HB       GLN  29   8.723   2.940   6.960
  257   2HB   GLN  29          2HB       GLN  29   9.778   1.533   6.969
  258   1HG   GLN  29          1HG       GLN  29  11.627   3.061   7.720
  259   2HG   GLN  29          2HG       GLN  29  10.400   4.309   7.936
  260   2HE2  GLN  29          2HE2      GLN  29  10.670   0.847   8.690
  261   1HE2  GLN  29          1HE2      GLN  29  10.190   0.997  10.343
  262    H    SER  30           H        SER  30  11.036   0.646   4.770
  263    HA   SER  30           HA       SER  30  13.789   0.992   5.462
  264   1HB   SER  30          1HB       SER  30  12.063  -1.179   4.639
  265   2HB   SER  30          2HB       SER  30  13.587  -1.229   3.752
  266    HG   SER  30           HG       SER  30  14.267  -2.160   5.518
  267    H    ILE  31           H        ILE  31  11.972   0.916   2.420
  268    HA   ILE  31           HA       ILE  31  14.285   1.220   0.767
  269    HB   ILE  31           HB       ILE  31  12.265   0.184  -0.116
  270   1HG1  ILE  31          1HG1      ILE  31  11.921   1.750  -2.148
  271   2HG1  ILE  31          2HG1      ILE  31  13.155   2.760  -1.395
  272   1HG2  ILE  31          1HG2      ILE  31  10.899   2.073   1.264
  273   2HG2  ILE  31          2HG2      ILE  31  10.757   2.689  -0.383
  274   3HG2  ILE  31          3HG2      ILE  31  10.201   1.060   0.001
  275   1HD1  ILE  31          1HD1      ILE  31  14.303   0.279  -1.346
  276   2HD1  ILE  31          2HD1      ILE  31  13.407   0.267  -2.865
  277   3HD1  ILE  31          3HD1      ILE  31  14.599   1.530  -2.554
  278    H    LYS  32           H        LYS  32  12.055   3.398   2.347
  279    HA   LYS  32           HA       LYS  32  12.945   5.719   0.888
  280   1HB   LYS  32          1HB       LYS  32  10.662   5.598   1.790
  281   2HB   LYS  32          2HB       LYS  32  11.308   5.504   3.421
  282   1HG   LYS  32          1HG       LYS  32  12.374   7.748   3.007
  283   2HG   LYS  32          2HG       LYS  32  11.417   7.831   1.527
  284   1HD   LYS  32          1HD       LYS  32  10.228   8.998   3.246
  285   2HD   LYS  32          2HD       LYS  32   9.372   7.490   2.916
  286   1HE   LYS  32          1HE       LYS  32  11.365   7.117   4.965
  287   2HE   LYS  32          2HE       LYS  32  10.266   8.428   5.392
  288   1HZ   LYS  32          1HZ       LYS  32   9.107   5.942   4.373
  289   2HZ   LYS  32          2HZ       LYS  32   9.713   5.940   5.952
  290   3HZ   LYS  32          3HZ       LYS  32   8.495   7.029   5.515
  291    H    LYS  33           H        LYS  33  13.913   3.976   3.702
  292    HA   LYS  33           HA       LYS  33  15.343   6.119   4.946
  293   1HB   LYS  33          1HB       LYS  33  14.505   4.231   6.259
  294   2HB   LYS  33          2HB       LYS  33  15.530   3.128   5.352
  295   1HG   LYS  33          1HG       LYS  33  17.476   3.915   6.350
  296   2HG   LYS  33          2HG       LYS  33  16.711   5.417   6.875
  297   1HD   LYS  33          1HD       LYS  33  15.974   2.689   7.926
  298   2HD   LYS  33          2HD       LYS  33  17.128   3.770   8.710
  299   1HE   LYS  33          1HE       LYS  33  15.512   5.101   9.525
  300   2HE   LYS  33          2HE       LYS  33  14.558   5.013   8.046
  301   1HZ   LYS  33          1HZ       LYS  33  14.230   2.550   8.980
  302   2HZ   LYS  33          2HZ       LYS  33  14.417   3.378  10.443
  303   3HZ   LYS  33          3HZ       LYS  33  13.193   3.829   9.365
  304    H    LEU  34           H        LEU  34  16.193   3.433   2.788
  305    HA   LEU  34           HA       LEU  34  19.000   4.062   2.869
  306   1HB   LEU  34          1HB       LEU  34  17.452   1.893   2.026
  307   2HB   LEU  34          2HB       LEU  34  18.177   2.526   0.561
  308    HG   LEU  34           HG       LEU  34  19.649   0.852   1.342
  309   1HD1  LEU  34          1HD1      LEU  34  20.445   3.597   1.362
  310   2HD1  LEU  34          2HD1      LEU  34  21.404   2.690   2.531
  311   3HD1  LEU  34          3HD1      LEU  34  21.350   2.175   0.844
  312   1HD2  LEU  34          1HD2      LEU  34  18.807   1.804   3.952
  313   2HD2  LEU  34          2HD2      LEU  34  19.432   0.229   3.467
  314   3HD2  LEU  34          3HD2      LEU  34  20.548   1.539   3.854
  315    H    LYS  35           H        LYS  35  16.252   4.897   0.894
  316    HA   LYS  35           HA       LYS  35  17.797   6.022  -1.248
  317   1HB   LYS  35          1HB       LYS  35  15.550   5.161  -1.662
  318   2HB   LYS  35          2HB       LYS  35  14.872   6.329  -0.537
  319   1HG   LYS  35          1HG       LYS  35  16.307   7.866  -2.349
  320   2HG   LYS  35          2HG       LYS  35  15.528   6.624  -3.331
  321   1HD   LYS  35          1HD       LYS  35  14.133   8.406  -1.334
  322   2HD   LYS  35          2HD       LYS  35  14.126   8.630  -3.085
  323   1HE   LYS  35          1HE       LYS  35  13.120   6.344  -3.283
  324   2HE   LYS  35          2HE       LYS  35  12.963   6.329  -1.526
  325   1HZ   LYS  35          1HZ       LYS  35  11.680   8.480  -1.831
  326   2HZ   LYS  35          2HZ       LYS  35  11.594   8.084  -3.472
  327   3HZ   LYS  35          3HZ       LYS  35  10.907   7.057  -2.316
  328    H    GLN  36           H        GLN  36  16.443   7.156   1.756
  329    HA   GLN  36           HA       GLN  36  16.856   9.948   1.092
  330   1HB   GLN  36          1HB       GLN  36  15.827   8.483   3.503
  331   2HB   GLN  36          2HB       GLN  36  16.267  10.181   3.615
  332   1HG   GLN  36          1HG       GLN  36  14.666  10.712   1.848
  333   2HG   GLN  36          2HG       GLN  36  14.222   9.009   1.744
  334   2HE2  GLN  36          2HE2      GLN  36  12.108  10.241   2.145
  335   1HE2  GLN  36          1HE2      GLN  36  11.610  10.353   3.795
  336    H    SER  37           H        SER  37  18.504   7.377   2.742
  337    HA   SER  37           HA       SER  37  20.424   9.136   4.004
  338   1HB   SER  37          1HB       SER  37  20.455   6.117   3.759
  339   2HB   SER  37          2HB       SER  37  21.462   7.090   4.832
  340    HG   SER  37           HG       SER  37  19.464   6.102   5.728
  341    H    GLU  38           H        GLU  38  20.091   7.362   1.054
  342    HA   GLU  38           HA       GLU  38  22.903   7.399   0.411
  343   1HB   GLU  38          1HB       GLU  38  21.318   5.625  -0.385
  344   2HB   GLU  38          2HB       GLU  38  20.564   6.834  -1.416
  345   1HG   GLU  38          1HG       GLU  38  22.467   7.035  -2.765
  346   2HG   GLU  38          2HG       GLU  38  23.493   6.222  -1.584
  347    H    ASP  39           H        ASP  39  20.150   9.450  -0.052
  348    HA   ASP  39           HA       ASP  39  21.863  11.387  -1.423
  349   1HB   ASP  39          1HB       ASP  39  19.046  10.847  -2.364
  350   2HB   ASP  39          2HB       ASP  39  20.265  11.863  -3.130
  351    H    ASP  40           H        ASP  40  21.017  11.271   1.289
  352    HA   ASP  40           HA       ASP  40  18.769  12.708   1.974
  353   1HB   ASP  40          1HB       ASP  40  20.906  11.693   3.346
  354   2HB   ASP  40          2HB       ASP  40  21.156  13.425   3.540
  355    H    ASP  41           H        ASP  41  18.277  14.871   2.268
  356    HA   ASP  41           HA       ASP  41  19.566  16.687   0.465
  357   1HB   ASP  41          1HB       ASP  41  17.068  16.542   1.870
  358   2HB   ASP  41          2HB       ASP  41  17.806  18.114   2.161
  359    H1   ALA   1           H1       ALA   1  24.837   8.746  -5.129
  360    H2   ALA   1           H2       ALA   1  23.143   8.475  -5.093
  361    H3   ALA   1           H3       ALA   1  24.071   8.311  -3.660
  362    HA   ALA   1           HA       ALA   1  23.834   6.178  -4.222
  363   1HB   ALA   1          1HB       ALA   1  23.246   7.300  -6.795
  364   2HB   ALA   1          2HB       ALA   1  24.336   5.924  -6.968
  365   3HB   ALA   1          3HB       ALA   1  22.796   5.729  -6.130
  366    H    LEU   2           H        LEU   2  25.696   5.598  -3.254
  367    HA   LEU   2           HA       LEU   2  28.097   5.498  -4.937
  368   1HB   LEU   2          1HB       LEU   2  28.226   6.223  -2.020
  369   2HB   LEU   2          2HB       LEU   2  29.514   6.294  -3.209
  370    HG   LEU   2           HG       LEU   2  27.387   7.991  -4.080
  371   1HD1  LEU   2          1HD1      LEU   2  26.895   7.900  -1.571
  372   2HD1  LEU   2          2HD1      LEU   2  28.401   8.799  -1.377
  373   3HD1  LEU   2          3HD1      LEU   2  27.077   9.488  -2.317
  374   1HD2  LEU   2          1HD2      LEU   2  29.949   8.010  -4.448
  375   2HD2  LEU   2          2HD2      LEU   2  29.088   9.545  -4.328
  376   3HD2  LEU   2          3HD2      LEU   2  29.991   8.929  -2.944
  377    H    LYS   3           H        LYS   3  26.039   3.541  -4.044
  378    HA   LYS   3           HA       LYS   3  27.911   1.544  -3.013
  379   1HB   LYS   3          1HB       LYS   3  25.140   1.943  -1.871
  380   2HB   LYS   3          2HB       LYS   3  26.290   0.700  -1.398
  381   1HG   LYS   3          1HG       LYS   3  27.116   2.058   0.135
  382   2HG   LYS   3          2HG       LYS   3  27.591   3.195  -1.129
  383   1HD   LYS   3          1HD       LYS   3  24.854   3.579  -0.839
  384   2HD   LYS   3          2HD       LYS   3  25.447   3.372   0.810
  385   1HE   LYS   3          1HE       LYS   3  27.287   5.048   0.099
  386   2HE   LYS   3          2HE       LYS   3  26.188   5.445  -1.221
  387   1HZ   LYS   3          1HZ       LYS   3  25.525   5.587   1.671
  388   2HZ   LYS   3          2HZ       LYS   3  25.876   6.910   0.677
  389   3HZ   LYS   3          3HZ       LYS   3  24.486   5.988   0.397
  390    H    LYS   4           H        LYS   4  27.563  -0.520  -3.758
  391    HA   LYS   4           HA       LYS   4  25.605  -0.749  -5.923
  392   1HB   LYS   4          1HB       LYS   4  28.172  -2.139  -5.267
  393   2HB   LYS   4          2HB       LYS   4  26.990  -2.958  -6.277
  394   1HG   LYS   4          1HG       LYS   4  28.654  -1.802  -7.619
  395   2HG   LYS   4          2HG       LYS   4  27.047  -1.115  -7.865
  396   1HD   LYS   4          1HD       LYS   4  28.551   0.164  -5.711
  397   2HD   LYS   4          2HD       LYS   4  29.320   0.309  -7.292
  398   1HE   LYS   4          1HE       LYS   4  27.160   1.142  -8.199
  399   2HE   LYS   4          2HE       LYS   4  26.510   1.120  -6.561
  400   1HZ   LYS   4          1HZ       LYS   4  28.999   2.528  -6.751
  401   2HZ   LYS   4          2HZ       LYS   4  27.798   3.205  -7.733
  402   3HZ   LYS   4          3HZ       LYS   4  27.530   3.022  -6.074
  403    H    HIS   5           H        HIS   5  26.950  -3.056  -3.555
  404    HA   HIS   5           HA       HIS   5  24.873  -4.868  -3.593
  405   1HB   HIS   5          1HB       HIS   5  25.616  -5.294  -1.126
  406   2HB   HIS   5          2HB       HIS   5  26.749  -5.607  -2.437
  407    HD1  HIS   5           HD1      HIS   5  28.980  -4.562  -2.179
  408    HD2  HIS   5           HD2      HIS   5  26.086  -2.619   0.082
  409    HE1  HIS   5           HE1      HIS   5  30.218  -2.817  -0.859
  410    HE2  HIS   5           HE2      HIS   5  28.448  -1.652   0.503
  411    H    HIS   6           H        HIS   6  25.210  -1.934  -1.663
  412    HA   HIS   6           HA       HIS   6  22.949  -2.282  -0.034
  413   1HB   HIS   6          1HB       HIS   6  24.944  -0.404  -0.234
  414   2HB   HIS   6          2HB       HIS   6  23.535   0.496  -0.785
  415    HD1  HIS   6           HD1      HIS   6  23.335  -2.124   1.906
  416    HD2  HIS   6           HD2      HIS   6  23.279   2.013   1.517
  417    HE1  HIS   6           HE1      HIS   6  22.658  -1.246   4.164
  418    HE2  HIS   6           HE2      HIS   6  22.631   1.260   3.906
  419    H    GLU   7           H        GLU   7  23.347  -0.840  -3.232
  420    HA   GLU   7           HA       GLU   7  20.709   0.173  -3.438
  421   1HB   GLU   7          1HB       GLU   7  22.844   0.671  -4.872
  422   2HB   GLU   7          2HB       GLU   7  22.286  -0.689  -5.837
  423   1HG   GLU   7          1HG       GLU   7  20.725   0.534  -6.827
  424   2HG   GLU   7          2HG       GLU   7  20.151   1.181  -5.291
  425    H    ASN   8           H        ASN   8  22.136  -2.950  -3.989
  426    HA   ASN   8           HA       ASN   8  20.075  -4.072  -5.564
  427   1HB   ASN   8          1HB       ASN   8  22.481  -4.983  -4.257
  428   2HB   ASN   8          2HB       ASN   8  21.174  -6.131  -3.983
  429   2HD2  ASN   8          2HD2      ASN   8  23.355  -6.862  -5.431
  430   1HD2  ASN   8          1HD2      ASN   8  22.925  -7.055  -7.093
  431    H    GLU   9           H        GLU   9  20.683  -4.067  -2.065
  432    HA   GLU   9           HA       GLU   9  18.484  -5.605  -1.292
  433   1HB   GLU   9          1HB       GLU   9  20.525  -4.239   0.005
  434   2HB   GLU   9          2HB       GLU   9  19.067  -3.431   0.563
  435   1HG   GLU   9          1HG       GLU   9  19.251  -5.066   2.132
  436   2HG   GLU   9          2HG       GLU   9  18.235  -5.887   0.948
  437    H    ILE  10           H        ILE  10  18.762  -2.038  -1.439
  438    HA   ILE  10           HA       ILE  10  16.065  -1.555  -0.823
  439    HB   ILE  10           HB       ILE  10  16.377   0.681  -1.614
  440   1HG1  ILE  10          1HG1      ILE  10  18.901  -0.330  -2.945
  441   2HG1  ILE  10          2HG1      ILE  10  17.441   0.211  -3.767
  442   1HG2  ILE  10          1HG2      ILE  10  18.598  -0.609  -0.125
  443   2HG2  ILE  10          2HG2      ILE  10  18.766   1.085  -0.582
  444   3HG2  ILE  10          3HG2      ILE  10  17.404   0.570   0.416
  445   1HD1  ILE  10          1HD1      ILE  10  18.256   2.287  -2.033
  446   2HD1  ILE  10          2HD1      ILE  10  19.676   1.737  -2.924
  447   3HD1  ILE  10          3HD1      ILE  10  18.239   2.269  -3.798
  448    H    SER  11           H        SER  11  17.605  -2.611  -3.727
  449    HA   SER  11           HA       SER  11  15.702  -1.794  -5.623
  450   1HB   SER  11          1HB       SER  11  18.056  -3.068  -5.827
  451   2HB   SER  11          2HB       SER  11  16.984  -4.463  -5.954
  452    HG   SER  11           HG       SER  11  17.054  -2.163  -7.605
  453    H    HIS  12           H        HIS  12  15.960  -4.723  -3.636
  454    HA   HIS  12           HA       HIS  12  13.589  -5.918  -4.629
  455   1HB   HIS  12          1HB       HIS  12  14.524  -7.635  -3.535
  456   2HB   HIS  12          2HB       HIS  12  15.651  -6.556  -2.736
  457    HD1  HIS  12           HD1      HIS  12  12.118  -7.876  -2.235
  458    HD2  HIS  12           HD2      HIS  12  15.355  -6.462  -0.049
  459    HE1  HIS  12           HE1      HIS  12  11.490  -8.202   0.179
  460    HE2  HIS  12           HE2      HIS  12  13.465  -7.341   1.487
  461    H    HIS  13           H        HIS  13  14.271  -3.622  -2.070
  462    HA   HIS  13           HA       HIS  13  11.665  -3.730  -0.887
  463   1HB   HIS  13          1HB       HIS  13  13.626  -1.441  -0.723
  464   2HB   HIS  13          2HB       HIS  13  12.331  -1.821   0.402
  465    HD1  HIS  13           HD1      HIS  13  13.075  -4.917   0.613
  466    HD2  HIS  13           HD2      HIS  13  15.650  -1.697   1.099
  467    HE1  HIS  13           HE1      HIS  13  14.961  -5.778   2.040
  468    HE2  HIS  13           HE2      HIS  13  16.513  -3.812   2.322
  469    H    ALA  14           H        ALA  14  12.955  -2.258  -3.698
  470    HA   ALA  14           HA       ALA  14  11.068  -0.092  -3.823
  471   1HB   ALA  14          1HB       ALA  14  13.449  -0.814  -5.181
  472   2HB   ALA  14          2HB       ALA  14  12.170  -0.652  -6.385
  473   3HB   ALA  14          3HB       ALA  14  12.533   0.688  -5.298
  474    H    LYS  15           H        LYS  15  11.414  -3.299  -5.253
  475    HA   LYS  15           HA       LYS  15   9.046  -3.025  -6.866
  476   1HB   LYS  15          1HB       LYS  15  11.219  -4.686  -6.958
  477   2HB   LYS  15          2HB       LYS  15   9.996  -5.748  -6.273
  478   1HG   LYS  15          1HG       LYS  15   8.701  -5.708  -8.166
  479   2HG   LYS  15          2HG       LYS  15   9.330  -4.146  -8.694
  480   1HD   LYS  15          1HD       LYS  15  10.835  -5.160  -9.978
  481   2HD   LYS  15          2HD       LYS  15  11.481  -6.019  -8.579
  482   1HE   LYS  15          1HE       LYS  15  10.121  -7.871  -8.933
  483   2HE   LYS  15          2HE       LYS  15   8.981  -6.965  -9.927
  484   1HZ   LYS  15          1HZ       LYS  15  10.741  -6.796 -11.629
  485   2HZ   LYS  15          2HZ       LYS  15  11.725  -7.801 -10.690
  486   3HZ   LYS  15          3HZ       LYS  15  10.272  -8.391 -11.323
  487    H    GLU  16           H        GLU  16   9.801  -4.042  -3.650
  488    HA   GLU  16           HA       GLU  16   7.347  -5.492  -3.241
  489   1HB   GLU  16          1HB       GLU  16   9.776  -4.901  -1.698
  490   2HB   GLU  16          2HB       GLU  16   8.308  -4.941  -0.731
  491   1HG   GLU  16          1HG       GLU  16   9.277  -7.112  -0.700
  492   2HG   GLU  16          2HG       GLU  16   7.814  -7.182  -1.681
  493    H    ILE  17           H        ILE  17   8.595  -2.262  -2.532
  494    HA   ILE  17           HA       ILE  17   6.289  -1.482  -1.005
  495    HB   ILE  17           HB       ILE  17   8.499  -0.467  -0.642
  496   1HG1  ILE  17          1HG1      ILE  17   6.368   0.743  -0.099
  497   2HG1  ILE  17          2HG1      ILE  17   7.766   1.778  -0.327
  498   1HG2  ILE  17          1HG2      ILE  17   8.837  -0.431  -3.272
  499   2HG2  ILE  17          2HG2      ILE  17   8.264   1.223  -3.071
  500   3HG2  ILE  17          3HG2      ILE  17   9.695   0.674  -2.200
  501   1HD1  ILE  17          1HD1      ILE  17   6.655   1.689  -2.835
  502   2HD1  ILE  17          2HD1      ILE  17   5.253   1.713  -1.766
  503   3HD1  ILE  17          3HD1      ILE  17   6.468   2.986  -1.655
  504    H    GLU  18           H        GLU  18   7.316  -1.228  -4.358
  505    HA   GLU  18           HA       GLU  18   5.163   0.532  -5.093
  506   1HB   GLU  18          1HB       GLU  18   7.258   0.599  -6.333
  507   2HB   GLU  18          2HB       GLU  18   7.077  -1.092  -6.779
  508   1HG   GLU  18          1HG       GLU  18   4.853  -0.305  -7.854
  509   2HG   GLU  18          2HG       GLU  18   5.589   1.294  -7.773
  510    H    ARG  19           H        ARG  19   5.689  -2.897  -4.926
  511    HA   ARG  19           HA       ARG  19   3.436  -3.571  -6.586
  512   1HB   ARG  19          1HB       ARG  19   5.358  -5.070  -6.464
  513   2HB   ARG  19          2HB       ARG  19   5.111  -5.274  -4.735
  514   1HG   ARG  19          1HG       ARG  19   2.717  -6.064  -5.544
  515   2HG   ARG  19          2HG       ARG  19   3.619  -6.433  -7.017
  516   1HD   ARG  19          1HD       ARG  19   5.281  -7.623  -5.477
  517   2HD   ARG  19          2HD       ARG  19   4.022  -7.519  -4.247
  518    HE   ARG  19           HE       ARG  19   2.849  -9.156  -5.349
  519   1HH1  ARG  19          1HH1      ARG  19   5.396  -7.967  -7.405
  520   2HH1  ARG  19          2HH1      ARG  19   5.187  -9.205  -8.598
  521   1HH2  ARG  19          1HH2      ARG  19   2.565 -10.790  -6.914
  522   2HH2  ARG  19          2HH2      ARG  19   3.577 -10.809  -8.319
  523    H    LEU  20           H        LEU  20   4.062  -3.233  -3.127
  524    HA   LEU  20           HA       LEU  20   1.519  -4.358  -2.402
  525   1HB   LEU  20          1HB       LEU  20   3.588  -2.852  -0.804
  526   2HB   LEU  20          2HB       LEU  20   2.131  -3.548  -0.120
  527    HG   LEU  20           HG       LEU  20   4.260  -5.157  -1.527
  528   1HD1  LEU  20          1HD1      LEU  20   3.875  -4.468   1.366
  529   2HD1  LEU  20          2HD1      LEU  20   4.709  -5.938   0.865
  530   3HD1  LEU  20          3HD1      LEU  20   5.338  -4.361   0.388
  531   1HD2  LEU  20          1HD2      LEU  20   2.008  -6.141  -1.528
  532   2HD2  LEU  20          2HD2      LEU  20   3.137  -7.064  -0.535
  533   3HD2  LEU  20          3HD2      LEU  20   1.959  -5.999   0.230
  534    H    GLN  21           H        GLN  21   2.809  -1.229  -3.171
  535    HA   GLN  21           HA       GLN  21   0.649   0.273  -2.023
  536   1HB   GLN  21          1HB       GLN  21   2.717   1.442  -2.328
  537   2HB   GLN  21          2HB       GLN  21   2.813   0.968  -4.016
  538   1HG   GLN  21          1HG       GLN  21   1.779   2.824  -4.613
  539   2HG   GLN  21          2HG       GLN  21   0.387   2.394  -3.621
  540   2HE2  GLN  21          2HE2      GLN  21   0.660   2.867  -1.254
  541   1HE2  GLN  21          1HE2      GLN  21   1.421   4.361  -0.837
  542    H    LYS  22           H        LYS  22   1.445  -1.056  -5.184
  543    HA   LYS  22           HA       LYS  22  -0.647   0.123  -6.647
  544   1HB   LYS  22          1HB       LYS  22   1.217  -0.955  -7.767
  545   2HB   LYS  22          2HB       LYS  22   0.793  -2.505  -7.056
  546   1HG   LYS  22          1HG       LYS  22  -1.492  -2.059  -8.295
  547   2HG   LYS  22          2HG       LYS  22  -0.470  -1.039  -9.308
  548   1HD   LYS  22          1HD       LYS  22  -0.449  -3.138 -10.358
  549   2HD   LYS  22          2HD       LYS  22   1.080  -3.061  -9.482
  550   1HE   LYS  22          1HE       LYS  22  -0.018  -4.311  -7.618
  551   2HE   LYS  22          2HE       LYS  22  -1.428  -4.513  -8.656
  552   1HZ   LYS  22          1HZ       LYS  22   0.029  -5.643 -10.270
  553   2HZ   LYS  22          2HZ       LYS  22   1.309  -5.540  -9.169
  554   3HZ   LYS  22          3HZ       LYS  22  -0.060  -6.457  -8.790
  555    H    GLU  23           H        GLU  23  -0.427  -2.984  -4.935
  556    HA   GLU  23           HA       GLU  23  -2.984  -3.933  -5.572
  557   1HB   GLU  23          1HB       GLU  23  -0.884  -4.953  -4.218
  558   2HB   GLU  23          2HB       GLU  23  -1.941  -4.555  -2.870
  559   1HG   GLU  23          1HG       GLU  23  -3.021  -6.448  -3.210
  560   2HG   GLU  23          2HG       GLU  23  -3.556  -5.830  -4.772
  561    H    ILE  24           H        ILE  24  -1.885  -2.131  -2.696
  562    HA   ILE  24           HA       ILE  24  -4.457  -1.915  -1.547
  563    HB   ILE  24           HB       ILE  24  -2.493  -1.581  -0.188
  564   1HG1  ILE  24          1HG1      ILE  24  -4.750  -0.312   0.164
  565   2HG1  ILE  24          2HG1      ILE  24  -3.363   0.058   1.174
  566   1HG2  ILE  24          1HG2      ILE  24  -1.133  -0.510  -1.983
  567   2HG2  ILE  24          2HG2      ILE  24  -1.965   0.998  -1.615
  568   3HG2  ILE  24          3HG2      ILE  24  -0.983   0.207  -0.382
  569   1HD1  ILE  24          1HD1      ILE  24  -3.543   1.687  -1.246
  570   2HD1  ILE  24          2HD1      ILE  24  -4.886   1.892  -0.125
  571   3HD1  ILE  24          3HD1      ILE  24  -3.234   2.159   0.424
  572    H    GLU  25           H        GLU  25  -2.988  -0.296  -4.180
  573    HA   GLU  25           HA       GLU  25  -4.463   2.138  -4.037
  574   1HB   GLU  25          1HB       GLU  25  -2.311   1.604  -5.386
  575   2HB   GLU  25          2HB       GLU  25  -3.412   0.942  -6.588
  576   1HG   GLU  25          1HG       GLU  25  -4.545   3.113  -6.727
  577   2HG   GLU  25          2HG       GLU  25  -3.402   3.770  -5.556
  578    H    ARG  26           H        ARG  26  -4.914  -0.987  -5.599
  579    HA   ARG  26           HA       ARG  26  -7.226  -0.300  -7.082
  580   1HB   ARG  26          1HB       ARG  26  -5.940  -2.855  -6.212
  581   2HB   ARG  26          2HB       ARG  26  -7.582  -2.908  -6.842
  582   1HG   ARG  26          1HG       ARG  26  -6.929  -2.185  -8.952
  583   2HG   ARG  26          2HG       ARG  26  -5.397  -1.538  -8.361
  584   1HD   ARG  26          1HD       ARG  26  -4.583  -3.451  -9.249
  585   2HD   ARG  26          2HD       ARG  26  -5.079  -4.115  -7.692
  586    HE   ARG  26           HE       ARG  26  -7.165  -4.220  -9.645
  587   1HH1  ARG  26          1HH1      ARG  26  -4.287  -5.810  -8.497
  588   2HH1  ARG  26          2HH1      ARG  26  -4.752  -7.368  -9.095
  589   1HH2  ARG  26          1HH2      ARG  26  -7.788  -6.266 -10.435
  590   2HH2  ARG  26          2HH2      ARG  26  -6.743  -7.627 -10.197
  591    H    HIS  27           H        HIS  27  -6.787  -1.893  -3.927
  592    HA   HIS  27           HA       HIS  27  -9.554  -2.132  -3.372
  593   1HB   HIS  27          1HB       HIS  27  -7.026  -2.570  -1.945
  594   2HB   HIS  27          2HB       HIS  27  -8.345  -2.049  -0.902
  595    HD1  HIS  27           HD1      HIS  27 -10.702  -3.550  -1.656
  596    HD2  HIS  27           HD2      HIS  27  -6.927  -5.258  -1.983
  597    HE1  HIS  27           HE1      HIS  27 -11.087  -6.035  -1.662
  598    HE2  HIS  27           HE2      HIS  27  -8.790  -7.050  -1.860
  599    H    LYS  28           H        LYS  28  -7.288   0.464  -3.149
  600    HA   LYS  28           HA       LYS  28  -8.792   2.021  -1.271
  601   1HB   LYS  28          1HB       LYS  28  -6.360   2.276  -1.471
  602   2HB   LYS  28          2HB       LYS  28  -6.553   2.825  -3.131
  603   1HG   LYS  28          1HG       LYS  28  -8.199   4.486  -1.605
  604   2HG   LYS  28          2HG       LYS  28  -6.704   4.316  -0.683
  605   1HD   LYS  28          1HD       LYS  28  -6.894   5.118  -3.587
  606   2HD   LYS  28          2HD       LYS  28  -6.620   6.219  -2.236
  607   1HE   LYS  28          1HE       LYS  28  -4.736   4.080  -2.090
  608   2HE   LYS  28          2HE       LYS  28  -4.712   4.753  -3.720
  609   1HZ   LYS  28          1HZ       LYS  28  -4.643   6.549  -1.388
  610   2HZ   LYS  28          2HZ       LYS  28  -3.224   5.783  -1.902
  611   3HZ   LYS  28          3HZ       LYS  28  -4.061   6.810  -2.954
  612    H    GLN  29           H        GLN  29  -8.792   1.565  -4.693
  613    HA   GLN  29           HA       GLN  29 -10.170   4.018  -5.285
  614   1HB   GLN  29          1HB       GLN  29  -8.725   2.944  -6.958
  615   2HB   GLN  29          2HB       GLN  29  -9.779   1.536  -6.969
  616   1HG   GLN  29          1HG       GLN  29 -11.629   3.065  -7.719
  617   2HG   GLN  29          2HG       GLN  29 -10.401   4.312  -7.935
  618   2HE2  GLN  29          2HE2      GLN  29 -10.670   0.850  -8.688
  619   1HE2  GLN  29          1HE2      GLN  29 -10.191   1.000 -10.341
  620    H    SER  30           H        SER  30 -11.037   0.647  -4.765
  621    HA   SER  30           HA       SER  30 -13.789   0.990  -5.460
  622   1HB   SER  30          1HB       SER  30 -12.063  -1.180  -4.638
  623   2HB   SER  30          2HB       SER  30 -13.587  -1.231  -3.751
  624    HG   SER  30           HG       SER  30 -14.269  -2.160  -5.516
  625    H    ILE  31           H        ILE  31 -11.971   0.920  -2.419
  626    HA   ILE  31           HA       ILE  31 -14.283   1.220  -0.764
  627    HB   ILE  31           HB       ILE  31 -12.263   0.185   0.117
  628   1HG1  ILE  31          1HG1      ILE  31 -11.918   1.747   2.150
  629   2HG1  ILE  31          2HG1      ILE  31 -13.150   2.761   1.397
  630   1HG2  ILE  31          1HG2      ILE  31 -10.899   2.076  -1.263
  631   2HG2  ILE  31          2HG2      ILE  31 -10.755   2.689   0.384
  632   3HG2  ILE  31          3HG2      ILE  31 -10.200   1.060  -0.002
  633   1HD1  ILE  31          1HD1      ILE  31 -14.305   0.284   1.347
  634   2HD1  ILE  31          2HD1      ILE  31 -13.405   0.266   2.864
  635   3HD1  ILE  31          3HD1      ILE  31 -14.594   1.533   2.559
  636    H    LYS  32           H        LYS  32 -12.055   3.399  -2.343
  637    HA   LYS  32           HA       LYS  32 -12.944   5.720  -0.881
  638   1HB   LYS  32          1HB       LYS  32 -10.661   5.599  -1.786
  639   2HB   LYS  32          2HB       LYS  32 -11.308   5.506  -3.417
  640   1HG   LYS  32          1HG       LYS  32 -12.373   7.750  -2.999
  641   2HG   LYS  32          2HG       LYS  32 -11.415   7.832  -1.520
  642   1HD   LYS  32          1HD       LYS  32 -10.227   9.000  -3.241
  643   2HD   LYS  32          2HD       LYS  32  -9.370   7.492  -2.912
  644   1HE   LYS  32          1HE       LYS  32 -11.366   7.119  -4.960
  645   2HE   LYS  32          2HE       LYS  32 -10.267   8.431  -5.387
  646   1HZ   LYS  32          1HZ       LYS  32  -9.105   5.945  -4.368
  647   2HZ   LYS  32          2HZ       LYS  32  -9.714   5.941  -5.947
  648   3HZ   LYS  32          3HZ       LYS  32  -8.497   7.032  -5.514
  649    H    LYS  33           H        LYS  33 -13.911   3.978  -3.698
  650    HA   LYS  33           HA       LYS  33 -15.340   6.120  -4.940
  651   1HB   LYS  33          1HB       LYS  33 -14.504   4.234  -6.254
  652   2HB   LYS  33          2HB       LYS  33 -15.528   3.131  -5.346
  653   1HG   LYS  33          1HG       LYS  33 -17.474   3.915  -6.343
  654   2HG   LYS  33          2HG       LYS  33 -16.713   5.418  -6.868
  655   1HD   LYS  33          1HD       LYS  33 -15.976   2.692  -7.922
  656   2HD   LYS  33          2HD       LYS  33 -17.130   3.775  -8.703
  657   1HE   LYS  33          1HE       LYS  33 -15.513   5.104  -9.521
  658   2HE   LYS  33          2HE       LYS  33 -14.560   5.017  -8.040
  659   1HZ   LYS  33          1HZ       LYS  33 -14.232   2.554  -8.975
  660   2HZ   LYS  33          2HZ       LYS  33 -14.418   3.382 -10.438
  661   3HZ   LYS  33          3HZ       LYS  33 -13.195   3.833  -9.360
  662    H    LEU  34           H        LEU  34 -16.191   3.434  -2.785
  663    HA   LEU  34           HA       LEU  34 -18.998   4.065  -2.865
  664   1HB   LEU  34          1HB       LEU  34 -17.451   1.896  -2.024
  665   2HB   LEU  34          2HB       LEU  34 -18.176   2.526  -0.559
  666    HG   LEU  34           HG       LEU  34 -19.648   0.854  -1.342
  667   1HD1  LEU  34          1HD1      LEU  34 -20.444   3.600  -1.358
  668   2HD1  LEU  34          2HD1      LEU  34 -21.403   2.693  -2.528
  669   3HD1  LEU  34          3HD1      LEU  34 -21.348   2.176  -0.843
  670   1HD2  LEU  34          1HD2      LEU  34 -18.806   1.812  -3.951
  671   2HD2  LEU  34          2HD2      LEU  34 -19.429   0.234  -3.468
  672   3HD2  LEU  34          3HD2      LEU  34 -20.548   1.543  -3.853
  673    H    LYS  35           H        LYS  35 -16.251   4.898  -0.889
  674    HA   LYS  35           HA       LYS  35 -17.793   6.022   1.253
  675   1HB   LYS  35          1HB       LYS  35 -15.547   5.160   1.667
  676   2HB   LYS  35          2HB       LYS  35 -14.870   6.329   0.542
  677   1HG   LYS  35          1HG       LYS  35 -16.304   7.864   2.356
  678   2HG   LYS  35          2HG       LYS  35 -15.524   6.622   3.337
  679   1HD   LYS  35          1HD       LYS  35 -14.131   8.404   1.339
  680   2HD   LYS  35          2HD       LYS  35 -14.123   8.630   3.090
  681   1HE   LYS  35          1HE       LYS  35 -13.118   6.344   3.287
  682   2HE   LYS  35          2HE       LYS  35 -12.959   6.329   1.532
  683   1HZ   LYS  35          1HZ       LYS  35 -11.678   8.480   1.837
  684   2HZ   LYS  35          2HZ       LYS  35 -11.592   8.084   3.479
  685   3HZ   LYS  35          3HZ       LYS  35 -10.904   7.057   2.324
  686    H    GLN  36           H        GLN  36 -16.443   7.157  -1.752
  687    HA   GLN  36           HA       GLN  36 -16.855   9.948  -1.085
  688   1HB   GLN  36          1HB       GLN  36 -15.826   8.484  -3.496
  689   2HB   GLN  36          2HB       GLN  36 -16.267  10.182  -3.608
  690   1HG   GLN  36          1HG       GLN  36 -14.665  10.713  -1.840
  691   2HG   GLN  36          2HG       GLN  36 -14.219   9.010  -1.739
  692   2HE2  GLN  36          2HE2      GLN  36 -12.105  10.239  -2.140
  693   1HE2  GLN  36          1HE2      GLN  36 -11.608  10.355  -3.791
  694    H    SER  37           H        SER  37 -18.503   7.378  -2.734
  695    HA   SER  37           HA       SER  37 -20.424   9.138  -3.996
  696   1HB   SER  37          1HB       SER  37 -20.455   6.119  -3.752
  697   2HB   SER  37          2HB       SER  37 -21.462   7.092  -4.824
  698    HG   SER  37           HG       SER  37 -19.465   6.103  -5.720
  699    H    GLU  38           H        GLU  38 -20.090   7.363  -1.046
  700    HA   GLU  38           HA       GLU  38 -22.901   7.398  -0.404
  701   1HB   GLU  38          1HB       GLU  38 -21.316   5.626   0.392
  702   2HB   GLU  38          2HB       GLU  38 -20.562   6.834   1.425
  703   1HG   GLU  38          1HG       GLU  38 -22.467   7.034   2.771
  704   2HG   GLU  38          2HG       GLU  38 -23.491   6.218   1.591
  705    H    ASP  39           H        ASP  39 -20.149   9.449   0.061
  706    HA   ASP  39           HA       ASP  39 -21.862  11.386   1.432
  707   1HB   ASP  39          1HB       ASP  39 -19.046  10.846   2.374
  708   2HB   ASP  39          2HB       ASP  39 -20.264  11.863   3.138
  709    H    ASP  40           H        ASP  40 -21.015  11.271  -1.280
  710    HA   ASP  40           HA       ASP  40 -18.768  12.708  -1.965
  711   1HB   ASP  40          1HB       ASP  40 -20.905  11.694  -3.337
  712   2HB   ASP  40          2HB       ASP  40 -21.155  13.426  -3.529
  713    H    ASP  41           H        ASP  41 -18.275  14.872  -2.260
  714    HA   ASP  41           HA       ASP  41 -19.565  16.686  -0.455
  715   1HB   ASP  41          1HB       ASP  41 -17.066  16.543  -1.862
  716   2HB   ASP  41          2HB       ASP  41 -17.806  18.115  -2.151

  No H/Q in entry =         716
  Start of MODEL   33
    1    H1   ALA   1           H1       ALA   1 -34.842  -9.129   0.576
    2    H2   ALA   1           H2       ALA   1 -34.415 -10.740   0.173
    3    H3   ALA   1           H3       ALA   1 -34.043 -10.119   1.730
    4    HA   ALA   1           HA       ALA   1 -32.107 -10.197   0.392
    5   1HB   ALA   1          1HB       ALA   1 -33.292 -10.049  -1.778
    6   2HB   ALA   1          2HB       ALA   1 -31.916  -8.952  -1.657
    7   3HB   ALA   1          3HB       ALA   1 -33.558  -8.332  -1.478
    8    H    LEU   2           H        LEU   2 -31.263  -9.233   2.190
    9    HA   LEU   2           HA       LEU   2 -31.852  -6.471   2.811
   10   1HB   LEU   2          1HB       LEU   2 -29.894  -8.403   4.057
   11   2HB   LEU   2          2HB       LEU   2 -30.265  -6.806   4.677
   12    HG   LEU   2           HG       LEU   2 -32.645  -7.553   4.963
   13   1HD1  LEU   2          1HD1      LEU   2 -31.426 -10.144   4.081
   14   2HD1  LEU   2          2HD1      LEU   2 -32.852 -10.103   5.119
   15   3HD1  LEU   2          3HD1      LEU   2 -32.904  -9.363   3.519
   16   1HD2  LEU   2          1HD2      LEU   2 -30.415  -8.922   6.445
   17   2HD2  LEU   2          2HD2      LEU   2 -31.300  -7.468   6.903
   18   3HD2  LEU   2          3HD2      LEU   2 -32.104  -9.036   6.939
   19    H    LYS   3           H        LYS   3 -30.275  -4.795   2.917
   20    HA   LYS   3           HA       LYS   3 -28.150  -5.122   0.914
   21   1HB   LYS   3          1HB       LYS   3 -29.956  -2.915   1.655
   22   2HB   LYS   3          2HB       LYS   3 -28.292  -2.435   1.349
   23   1HG   LYS   3          1HG       LYS   3 -29.217  -2.223  -0.736
   24   2HG   LYS   3          2HG       LYS   3 -28.572  -3.864  -0.813
   25   1HD   LYS   3          1HD       LYS   3 -31.137  -4.127   0.262
   26   2HD   LYS   3          2HD       LYS   3 -31.298  -2.949  -1.042
   27   1HE   LYS   3          1HE       LYS   3 -29.636  -4.983  -2.028
   28   2HE   LYS   3          2HE       LYS   3 -30.953  -5.799  -1.187
   29   1HZ   LYS   3          1HZ       LYS   3 -31.498  -3.617  -3.099
   30   2HZ   LYS   3          2HZ       LYS   3 -31.262  -5.201  -3.640
   31   3HZ   LYS   3          3HZ       LYS   3 -32.530  -4.852  -2.576
   32    H    LYS   4           H        LYS   4 -28.035  -5.878   3.800
   33    HA   LYS   4           HA       LYS   4 -26.251  -3.972   5.021
   34   1HB   LYS   4          1HB       LYS   4 -27.282  -6.688   5.796
   35   2HB   LYS   4          2HB       LYS   4 -25.984  -5.923   6.702
   36   1HG   LYS   4          1HG       LYS   4 -27.828  -3.920   6.576
   37   2HG   LYS   4          2HG       LYS   4 -28.850  -5.355   6.675
   38   1HD   LYS   4          1HD       LYS   4 -26.551  -4.818   8.547
   39   2HD   LYS   4          2HD       LYS   4 -28.213  -4.330   8.884
   40   1HE   LYS   4          1HE       LYS   4 -28.840  -6.417   9.415
   41   2HE   LYS   4          2HE       LYS   4 -27.939  -7.127   8.076
   42   1HZ   LYS   4          1HZ       LYS   4 -26.574  -6.128  10.500
   43   2HZ   LYS   4          2HZ       LYS   4 -27.199  -7.697  10.423
   44   3HZ   LYS   4          3HZ       LYS   4 -25.997  -7.211   9.336
   45    H    HIS   5           H        HIS   5 -25.984  -7.014   3.290
   46    HA   HIS   5           HA       HIS   5 -23.336  -7.661   3.867
   47   1HB   HIS   5          1HB       HIS   5 -23.378  -9.014   1.858
   48   2HB   HIS   5          2HB       HIS   5 -24.931  -9.144   2.676
   49    HD1  HIS   5           HD1      HIS   5 -24.317  -9.591  -0.449
   50    HD2  HIS   5           HD2      HIS   5 -26.121  -6.282   1.301
   51    HE1  HIS   5           HE1      HIS   5 -25.676  -8.522  -2.275
   52    HE2  HIS   5           HE2      HIS   5 -26.760  -6.522  -1.193
   53    H    HIS   6           H        HIS   6 -24.642  -5.154   1.885
   54    HA   HIS   6           HA       HIS   6 -22.412  -4.727   0.196
   55   1HB   HIS   6          1HB       HIS   6 -24.942  -3.415   0.771
   56   2HB   HIS   6          2HB       HIS   6 -23.647  -2.249   0.520
   57    HD1  HIS   6           HD1      HIS   6 -24.076  -5.538  -1.309
   58    HD2  HIS   6           HD2      HIS   6 -24.219  -1.448  -2.028
   59    HE1  HIS   6           HE1      HIS   6 -24.312  -5.301  -3.802
   60    HE2  HIS   6           HE2      HIS   6 -24.397  -2.817  -4.215
   61    H    GLU   7           H        GLU   7 -23.467  -3.002   3.137
   62    HA   GLU   7           HA       GLU   7 -21.234  -1.322   3.323
   63   1HB   GLU   7          1HB       GLU   7 -23.574  -1.616   4.722
   64   2HB   GLU   7          2HB       GLU   7 -22.382  -2.160   5.895
   65   1HG   GLU   7          1HG       GLU   7 -21.644   0.310   4.528
   66   2HG   GLU   7          2HG       GLU   7 -23.130   0.427   5.470
   67    H    ASN   8           H        ASN   8 -21.655  -4.654   4.145
   68    HA   ASN   8           HA       ASN   8 -19.457  -4.868   5.946
   69   1HB   ASN   8          1HB       ASN   8 -21.502  -6.568   4.990
   70   2HB   ASN   8          2HB       ASN   8 -19.976  -7.345   4.580
   71   2HD2  ASN   8          2HD2      ASN   8 -22.213  -7.666   6.689
   72   1HD2  ASN   8          1HD2      ASN   8 -21.329  -7.932   8.149
   73    H    GLU   9           H        GLU   9 -19.884  -5.593   2.494
   74    HA   GLU   9           HA       GLU   9 -17.279  -6.515   2.013
   75   1HB   GLU   9          1HB       GLU   9 -19.401  -6.573   0.503
   76   2HB   GLU   9          2HB       GLU   9 -18.844  -5.002  -0.055
   77   1HG   GLU   9          1HG       GLU   9 -17.951  -6.455  -1.608
   78   2HG   GLU   9          2HG       GLU   9 -16.608  -6.195  -0.497
   79    H    ILE  10           H        ILE  10 -18.661  -3.256   1.876
   80    HA   ILE  10           HA       ILE  10 -16.259  -2.060   0.931
   81    HB   ILE  10           HB       ILE  10 -17.283   0.041   1.228
   82   1HG1  ILE  10          1HG1      ILE  10 -19.308  -1.289   3.043
   83   2HG1  ILE  10          2HG1      ILE  10 -18.017  -0.210   3.565
   84   1HG2  ILE  10          1HG2      ILE  10 -18.260  -1.307  -0.534
   85   2HG2  ILE  10          2HG2      ILE  10 -19.442  -1.962   0.599
   86   3HG2  ILE  10          3HG2      ILE  10 -19.473  -0.247   0.187
   87   1HD1  ILE  10          1HD1      ILE  10 -19.452   1.146   1.559
   88   2HD1  ILE  10          2HD1      ILE  10 -20.636   0.431   2.656
   89   3HD1  ILE  10          3HD1      ILE  10 -19.385   1.500   3.288
   90    H    SER  11           H        SER  11 -17.425  -3.015   4.041
   91    HA   SER  11           HA       SER  11 -15.813  -1.315   5.627
   92   1HB   SER  11          1HB       SER  11 -17.787  -2.922   6.298
   93   2HB   SER  11          2HB       SER  11 -16.494  -4.102   6.506
   94    HG   SER  11           HG       SER  11 -17.239  -2.170   8.168
   95    H    HIS  12           H        HIS  12 -15.307  -4.488   4.164
   96    HA   HIS  12           HA       HIS  12 -12.725  -4.863   5.321
   97   1HB   HIS  12          1HB       HIS  12 -13.376  -6.939   4.735
   98   2HB   HIS  12          2HB       HIS  12 -14.543  -6.332   3.574
   99    HD1  HIS  12           HD1      HIS  12 -11.022  -7.582   3.845
  100    HD2  HIS  12           HD2      HIS  12 -13.693  -6.320   0.927
  101    HE1  HIS  12           HE1      HIS  12  -9.978  -8.240   1.653
  102    HE2  HIS  12           HE2      HIS  12 -11.613  -7.468  -0.104
  103    H    HIS  13           H        HIS  13 -13.945  -3.409   2.358
  104    HA   HIS  13           HA       HIS  13 -11.441  -3.235   1.029
  105   1HB   HIS  13          1HB       HIS  13 -13.789  -1.370   0.699
  106   2HB   HIS  13          2HB       HIS  13 -12.492  -1.649  -0.452
  107    HD1  HIS  13           HD1      HIS  13 -12.695  -4.863  -0.093
  108    HD2  HIS  13           HD2      HIS  13 -15.718  -2.195  -1.060
  109    HE1  HIS  13           HE1      HIS  13 -14.428  -6.233  -1.300
  110    HE2  HIS  13           HE2      HIS  13 -16.258  -4.596  -1.880
  111    H    ALA  14           H        ALA  14 -13.043  -1.288   3.445
  112    HA   ALA  14           HA       ALA  14 -11.432   1.034   3.129
  113   1HB   ALA  14          1HB       ALA  14 -13.028   0.075   5.508
  114   2HB   ALA  14          2HB       ALA  14 -12.310   1.678   5.345
  115   3HB   ALA  14          3HB       ALA  14 -13.586   1.166   4.239
  116    H    LYS  15           H        LYS  15 -11.374  -1.620   5.517
  117    HA   LYS  15           HA       LYS  15  -8.980  -0.773   6.757
  118   1HB   LYS  15          1HB       LYS  15 -10.792  -3.005   6.954
  119   2HB   LYS  15          2HB       LYS  15  -9.133  -3.583   6.977
  120   1HG   LYS  15          1HG       LYS  15  -8.634  -2.491   8.941
  121   2HG   LYS  15          2HG       LYS  15  -9.921  -1.301   8.728
  122   1HD   LYS  15          1HD       LYS  15 -11.184  -3.806   8.852
  123   2HD   LYS  15          2HD       LYS  15  -9.973  -3.802  10.137
  124   1HE   LYS  15          1HE       LYS  15 -12.068  -1.679   9.690
  125   2HE   LYS  15          2HE       LYS  15 -12.143  -2.951  10.910
  126   1HZ   LYS  15          1HZ       LYS  15  -9.700  -1.470  11.031
  127   2HZ   LYS  15          2HZ       LYS  15 -11.051  -0.472  11.232
  128   3HZ   LYS  15          3HZ       LYS  15 -10.820  -1.802  12.255
  129    H    GLU  16           H        GLU  16  -9.624  -2.380   3.786
  130    HA   GLU  16           HA       GLU  16  -7.076  -3.634   3.488
  131   1HB   GLU  16          1HB       GLU  16  -9.481  -3.214   1.804
  132   2HB   GLU  16          2HB       GLU  16  -7.963  -3.474   0.957
  133   1HG   GLU  16          1HG       GLU  16  -9.066  -5.312   3.067
  134   2HG   GLU  16          2HG       GLU  16  -9.283  -5.534   1.332
  135    H    ILE  17           H        ILE  17  -8.524  -0.585   2.340
  136    HA   ILE  17           HA       ILE  17  -6.273   0.159   0.778
  137    HB   ILE  17           HB       ILE  17  -7.342   2.157   0.338
  138   1HG1  ILE  17          1HG1      ILE  17  -9.213   3.019   1.945
  139   2HG1  ILE  17          2HG1      ILE  17  -8.431   1.988   3.137
  140   1HG2  ILE  17          1HG2      ILE  17  -8.923  -0.124   0.431
  141   2HG2  ILE  17          2HG2      ILE  17  -9.937   1.167   1.070
  142   3HG2  ILE  17          3HG2      ILE  17  -9.198   1.333  -0.522
  143   1HD1  ILE  17          1HD1      ILE  17  -6.664   3.809   1.643
  144   2HD1  ILE  17          2HD1      ILE  17  -7.805   4.559   2.759
  145   3HD1  ILE  17          3HD1      ILE  17  -6.656   3.356   3.346
  146    H    GLU  18           H        GLU  18  -7.236   0.817   4.115
  147    HA   GLU  18           HA       GLU  18  -5.086   2.602   4.665
  148   1HB   GLU  18          1HB       GLU  18  -7.301   1.399   6.122
  149   2HB   GLU  18          2HB       GLU  18  -5.841   1.488   7.097
  150   1HG   GLU  18          1HG       GLU  18  -5.721   3.934   6.345
  151   2HG   GLU  18          2HG       GLU  18  -7.397   3.716   5.841
  152    H    ARG  19           H        ARG  19  -5.446  -0.847   4.651
  153    HA   ARG  19           HA       ARG  19  -3.148  -1.399   6.268
  154   1HB   ARG  19          1HB       ARG  19  -5.113  -2.971   4.711
  155   2HB   ARG  19          2HB       ARG  19  -3.525  -3.702   4.902
  156   1HG   ARG  19          1HG       ARG  19  -3.723  -3.474   7.335
  157   2HG   ARG  19          2HG       ARG  19  -5.330  -2.774   7.127
  158   1HD   ARG  19          1HD       ARG  19  -5.841  -4.979   7.549
  159   2HD   ARG  19          2HD       ARG  19  -5.801  -4.959   5.786
  160    HE   ARG  19           HE       ARG  19  -4.099  -6.460   5.898
  161   1HH1  ARG  19          1HH1      ARG  19  -4.136  -4.632   8.862
  162   2HH1  ARG  19          2HH1      ARG  19  -2.837  -5.524   9.581
  163   1HH2  ARG  19          1HH2      ARG  19  -2.388  -7.643   6.835
  164   2HH2  ARG  19          2HH2      ARG  19  -1.842  -7.236   8.427
  165    H    LEU  20           H        LEU  20  -3.778  -1.046   2.825
  166    HA   LEU  20           HA       LEU  20  -1.253  -2.047   1.972
  167   1HB   LEU  20          1HB       LEU  20  -3.516  -0.586   0.715
  168   2HB   LEU  20          2HB       LEU  20  -1.962  -0.514  -0.095
  169    HG   LEU  20           HG       LEU  20  -3.233  -2.295  -1.066
  170   1HD1  LEU  20          1HD1      LEU  20  -0.780  -2.632  -0.594
  171   2HD1  LEU  20          2HD1      LEU  20  -1.267  -3.609   0.792
  172   3HD1  LEU  20          3HD1      LEU  20  -1.725  -4.102  -0.839
  173   1HD2  LEU  20          1HD2      LEU  20  -3.746  -3.038   1.781
  174   2HD2  LEU  20          2HD2      LEU  20  -4.878  -2.894   0.436
  175   3HD2  LEU  20          3HD2      LEU  20  -3.788  -4.278   0.527
  176    H    GLN  21           H        GLN  21  -2.507   1.121   2.832
  177    HA   GLN  21           HA       GLN  21  -0.275   2.623   1.934
  178   1HB   GLN  21          1HB       GLN  21  -2.770   3.180   3.080
  179   2HB   GLN  21          2HB       GLN  21  -1.593   3.800   4.231
  180   1HG   GLN  21          1HG       GLN  21  -1.175   4.457   1.375
  181   2HG   GLN  21          2HG       GLN  21  -2.518   5.242   2.205
  182   2HE2  GLN  21          2HE2      GLN  21   0.947   4.800   2.141
  183   1HE2  GLN  21          1HE2      GLN  21   1.339   6.192   3.087
  184    H    LYS  22           H        LYS  22  -1.161   1.265   5.095
  185    HA   LYS  22           HA       LYS  22   1.055   2.248   6.517
  186   1HB   LYS  22          1HB       LYS  22  -1.084   0.316   6.958
  187   2HB   LYS  22          2HB       LYS  22   0.424  -0.172   7.720
  188   1HG   LYS  22          1HG       LYS  22  -0.844   1.070   9.307
  189   2HG   LYS  22          2HG       LYS  22   0.525   2.066   8.805
  190   1HD   LYS  22          1HD       LYS  22  -2.052   2.344   7.338
  191   2HD   LYS  22          2HD       LYS  22  -1.918   3.056   8.948
  192   1HE   LYS  22          1HE       LYS  22   0.342   3.996   7.966
  193   2HE   LYS  22          2HE       LYS  22  -0.490   3.755   6.430
  194   1HZ   LYS  22          1HZ       LYS  22  -1.556   5.340   8.704
  195   2HZ   LYS  22          2HZ       LYS  22  -0.807   5.994   7.335
  196   3HZ   LYS  22          3HZ       LYS  22  -2.273   5.165   7.183
  197    H    GLU  23           H        GLU  23   0.621  -0.537   4.457
  198    HA   GLU  23           HA       GLU  23   2.958  -1.938   5.202
  199   1HB   GLU  23          1HB       GLU  23   0.938  -2.752   3.812
  200   2HB   GLU  23          2HB       GLU  23   1.765  -2.025   2.440
  201   1HG   GLU  23          1HG       GLU  23   2.138  -4.481   2.758
  202   2HG   GLU  23          2HG       GLU  23   3.598  -3.498   2.641
  203    H    ILE  24           H        ILE  24   2.317   0.337   2.531
  204    HA   ILE  24           HA       ILE  24   4.945   0.277   1.502
  205    HB   ILE  24           HB       ILE  24   3.171   1.143   0.124
  206   1HG1  ILE  24          1HG1      ILE  24   5.150   3.302   0.881
  207   2HG1  ILE  24          2HG1      ILE  24   5.383   2.043  -0.327
  208   1HG2  ILE  24          1HG2      ILE  24   2.829   3.167   2.310
  209   2HG2  ILE  24          2HG2      ILE  24   2.204   3.421   0.680
  210   3HG2  ILE  24          3HG2      ILE  24   1.636   2.055   1.640
  211   1HD1  ILE  24          1HD1      ILE  24   3.083   3.271  -1.163
  212   2HD1  ILE  24          2HD1      ILE  24   4.044   4.609  -0.533
  213   3HD1  ILE  24          3HD1      ILE  24   4.705   3.562  -1.792
  214    H    GLU  25           H        GLU  25   3.549   1.843   4.242
  215    HA   GLU  25           HA       GLU  25   5.428   3.949   4.523
  216   1HB   GLU  25          1HB       GLU  25   3.102   3.424   5.727
  217   2HB   GLU  25          2HB       GLU  25   4.177   2.737   6.938
  218   1HG   GLU  25          1HG       GLU  25   4.999   5.381   6.028
  219   2HG   GLU  25          2HG       GLU  25   3.403   5.356   6.777
  220    H    ARG  26           H        ARG  26   5.198   0.710   5.984
  221    HA   ARG  26           HA       ARG  26   7.604   0.909   7.463
  222   1HB   ARG  26          1HB       ARG  26   5.694  -1.223   6.743
  223   2HB   ARG  26          2HB       ARG  26   7.332  -1.768   7.073
  224   1HG   ARG  26          1HG       ARG  26   6.048  -1.890   9.089
  225   2HG   ARG  26          2HG       ARG  26   7.239  -0.598   9.250
  226   1HD   ARG  26          1HD       ARG  26   5.666   0.988   9.433
  227   2HD   ARG  26          2HD       ARG  26   4.683   0.288   8.147
  228    HE   ARG  26           HE       ARG  26   3.379  -0.634   9.765
  229   1HH1  ARG  26          1HH1      ARG  26   6.547  -0.081  11.101
  230   2HH1  ARG  26          2HH1      ARG  26   6.112  -0.617  12.689
  231   1HH2  ARG  26          1HH2      ARG  26   2.795  -1.341  11.852
  232   2HH2  ARG  26          2HH2      ARG  26   3.979  -1.335  13.117
  233    H    HIS  27           H        HIS  27   6.854  -0.192   4.205
  234    HA   HIS  27           HA       HIS  27   9.459  -1.231   3.681
  235   1HB   HIS  27          1HB       HIS  27   6.936  -1.202   2.386
  236   2HB   HIS  27          2HB       HIS  27   8.092  -0.477   1.278
  237    HD1  HIS  27           HD1      HIS  27  10.051  -2.001   0.451
  238    HD2  HIS  27           HD2      HIS  27   7.212  -3.929   2.793
  239    HE1  HIS  27           HE1      HIS  27  10.475  -4.459   0.132
  240    HE2  HIS  27           HE2      HIS  27   8.745  -5.609   1.558
  241    H    LYS  28           H        LYS  28   8.004   1.890   3.648
  242    HA   LYS  28           HA       LYS  28   9.848   3.105   1.829
  243   1HB   LYS  28          1HB       LYS  28   7.642   4.071   2.124
  244   2HB   LYS  28          2HB       LYS  28   7.938   4.301   3.842
  245   1HG   LYS  28          1HG       LYS  28  10.015   5.673   2.782
  246   2HG   LYS  28          2HG       LYS  28   8.779   5.920   1.547
  247   1HD   LYS  28          1HD       LYS  28   8.153   7.628   2.879
  248   2HD   LYS  28          2HD       LYS  28   7.335   6.358   3.790
  249   1HE   LYS  28          1HE       LYS  28   8.667   6.647   5.554
  250   2HE   LYS  28          2HE       LYS  28  10.117   6.603   4.551
  251   1HZ   LYS  28          1HZ       LYS  28   8.785   9.038   4.123
  252   2HZ   LYS  28          2HZ       LYS  28   8.958   8.812   5.791
  253   3HZ   LYS  28          3HZ       LYS  28  10.319   8.779   4.786
  254    H    GLN  29           H        GLN  29   9.662   2.586   5.277
  255    HA   GLN  29           HA       GLN  29  11.773   4.384   5.959
  256   1HB   GLN  29          1HB       GLN  29  10.144   3.760   7.638
  257   2HB   GLN  29          2HB       GLN  29  10.554   2.059   7.460
  258   1HG   GLN  29          1HG       GLN  29  11.930   2.339   9.173
  259   2HG   GLN  29          2HG       GLN  29  12.969   3.243   8.071
  260   2HE2  GLN  29          2HE2      GLN  29  10.084   3.729  10.082
  261   1HE2  GLN  29          1HE2      GLN  29  10.544   5.288  10.666
  262    H    SER  30           H        SER  30  11.554   0.911   5.322
  263    HA   SER  30           HA       SER  30  14.263   0.333   5.946
  264   1HB   SER  30          1HB       SER  30  11.980  -1.095   4.756
  265   2HB   SER  30          2HB       SER  30  13.558  -1.639   4.188
  266    HG   SER  30           HG       SER  30  12.359  -2.099   6.548
  267    H    ILE  31           H        ILE  31  12.589   1.103   2.921
  268    HA   ILE  31           HA       ILE  31  14.893   0.742   1.270
  269    HB   ILE  31           HB       ILE  31  12.697   0.517   0.297
  270   1HG1  ILE  31          1HG1      ILE  31  12.846   2.292  -1.551
  271   2HG1  ILE  31          2HG1      ILE  31  14.287   2.870  -0.718
  272   1HG2  ILE  31          1HG2      ILE  31  11.981   2.619   1.897
  273   2HG2  ILE  31          2HG2      ILE  31  11.993   3.355   0.298
  274   3HG2  ILE  31          3HG2      ILE  31  10.994   1.940   0.606
  275   1HD1  ILE  31          1HD1      ILE  31  15.273   0.627  -0.969
  276   2HD1  ILE  31          2HD1      ILE  31  13.846   0.142  -1.883
  277   3HD1  ILE  31          3HD1      ILE  31  14.905   1.404  -2.509
  278    H    LYS  32           H        LYS  32  13.592   3.378   3.121
  279    HA   LYS  32           HA       LYS  32  15.166   5.398   1.799
  280   1HB   LYS  32          1HB       LYS  32  13.286   5.326   4.116
  281   2HB   LYS  32          2HB       LYS  32  14.419   6.667   4.005
  282   1HG   LYS  32          1HG       LYS  32  13.396   6.558   1.470
  283   2HG   LYS  32          2HG       LYS  32  12.007   6.116   2.464
  284   1HD   LYS  32          1HD       LYS  32  12.912   8.190   3.891
  285   2HD   LYS  32          2HD       LYS  32  13.492   8.672   2.295
  286   1HE   LYS  32          1HE       LYS  32  11.240   8.474   1.398
  287   2HE   LYS  32          2HE       LYS  32  10.647   7.926   2.965
  288   1HZ   LYS  32          1HZ       LYS  32  11.668  10.176   3.751
  289   2HZ   LYS  32          2HZ       LYS  32  11.474  10.614   2.129
  290   3HZ   LYS  32          3HZ       LYS  32  10.133  10.136   3.042
  291    H    LYS  33           H        LYS  33  15.598   3.164   4.390
  292    HA   LYS  33           HA       LYS  33  17.734   4.621   5.654
  293   1HB   LYS  33          1HB       LYS  33  16.256   2.131   6.138
  294   2HB   LYS  33          2HB       LYS  33  17.958   2.047   6.572
  295   1HG   LYS  33          1HG       LYS  33  16.451   4.423   7.489
  296   2HG   LYS  33          2HG       LYS  33  16.079   2.878   8.258
  297   1HD   LYS  33          1HD       LYS  33  18.810   2.856   8.232
  298   2HD   LYS  33          2HD       LYS  33  18.463   4.569   8.475
  299   1HE   LYS  33          1HE       LYS  33  16.909   3.881  10.329
  300   2HE   LYS  33          2HE       LYS  33  17.543   2.246  10.157
  301   1HZ   LYS  33          1HZ       LYS  33  19.663   4.112  10.363
  302   2HZ   LYS  33          2HZ       LYS  33  18.604   4.298  11.669
  303   3HZ   LYS  33          3HZ       LYS  33  19.308   2.790  11.357
  304    H    LEU  34           H        LEU  34  17.473   1.871   3.421
  305    HA   LEU  34           HA       LEU  34  20.336   1.501   3.390
  306   1HB   LEU  34          1HB       LEU  34  18.211   0.308   1.608
  307   2HB   LEU  34          2HB       LEU  34  19.887  -0.200   1.691
  308    HG   LEU  34           HG       LEU  34  18.268  -0.280   4.192
  309   1HD1  LEU  34          1HD1      LEU  34  16.897  -1.304   2.345
  310   2HD1  LEU  34          2HD1      LEU  34  18.186  -2.493   2.157
  311   3HD1  LEU  34          3HD1      LEU  34  17.303  -2.381   3.680
  312   1HD2  LEU  34          1HD2      LEU  34  20.714  -0.770   4.112
  313   2HD2  LEU  34          2HD2      LEU  34  19.727  -2.094   4.731
  314   3HD2  LEU  34          3HD2      LEU  34  20.348  -2.154   3.081
  315    H    LYS  35           H        LYS  35  17.970   3.301   1.630
  316    HA   LYS  35           HA       LYS  35  19.689   3.761  -0.650
  317   1HB   LYS  35          1HB       LYS  35  17.143   3.654  -0.728
  318   2HB   LYS  35          2HB       LYS  35  17.150   5.240   0.030
  319   1HG   LYS  35          1HG       LYS  35  18.908   5.347  -2.184
  320   2HG   LYS  35          2HG       LYS  35  17.412   4.576  -2.717
  321   1HD   LYS  35          1HD       LYS  35  17.396   7.112  -1.108
  322   2HD   LYS  35          2HD       LYS  35  17.554   7.128  -2.867
  323   1HE   LYS  35          1HE       LYS  35  15.265   6.086  -1.215
  324   2HE   LYS  35          2HE       LYS  35  15.249   7.407  -2.384
  325   1HZ   LYS  35          1HZ       LYS  35  16.049   5.423  -3.940
  326   2HZ   LYS  35          2HZ       LYS  35  15.136   4.532  -2.826
  327   3HZ   LYS  35          3HZ       LYS  35  14.416   5.791  -3.697
  328    H    GLN  36           H        GLN  36  18.927   5.264   2.385
  329    HA   GLN  36           HA       GLN  36  20.069   7.819   1.672
  330   1HB   GLN  36          1HB       GLN  36  18.953   6.632   4.193
  331   2HB   GLN  36          2HB       GLN  36  19.871   8.131   4.248
  332   1HG   GLN  36          1HG       GLN  36  18.301   9.233   2.839
  333   2HG   GLN  36          2HG       GLN  36  17.460   7.721   2.500
  334   2HE2  GLN  36          2HE2      GLN  36  18.647   9.029   5.561
  335   1HE2  GLN  36          1HE2      GLN  36  17.106   9.084   6.340
  336    H    SER  37           H        SER  37  21.065   4.889   3.314
  337    HA   SER  37           HA       SER  37  23.523   5.978   4.311
  338   1HB   SER  37          1HB       SER  37  22.034   3.650   4.761
  339   2HB   SER  37          2HB       SER  37  23.542   3.092   4.038
  340    HG   SER  37           HG       SER  37  24.060   3.247   6.123
  341    H    GLU  38           H        GLU  38  22.478   4.401   1.387
  342    HA   GLU  38           HA       GLU  38  25.104   3.748   0.448
  343   1HB   GLU  38          1HB       GLU  38  22.495   3.114  -0.307
  344   2HB   GLU  38          2HB       GLU  38  23.118   4.066  -1.647
  345   1HG   GLU  38          1HG       GLU  38  25.054   2.119  -0.768
  346   2HG   GLU  38          2HG       GLU  38  23.516   1.358  -1.175
  347    H    ASP  39           H        ASP  39  23.007   6.519   0.271
  348    HA   ASP  39           HA       ASP  39  24.328   7.813  -1.897
  349   1HB   ASP  39          1HB       ASP  39  21.966   8.258  -0.936
  350   2HB   ASP  39          2HB       ASP  39  22.797   9.258   0.253
  351    H    ASP  40           H        ASP  40  24.889   7.595   1.522
  352    HA   ASP  40           HA       ASP  40  26.640   8.269   2.814
  353   1HB   ASP  40          1HB       ASP  40  27.698   8.371   0.104
  354   2HB   ASP  40          2HB       ASP  40  28.449   9.573   1.149
  355    H    ASP  41           H        ASP  41  28.052  10.381   3.221
  356    HA   ASP  41           HA       ASP  41  26.724  12.822   2.435
  357   1HB   ASP  41          1HB       ASP  41  26.805  12.171   5.380
  358   2HB   ASP  41          2HB       ASP  41  25.981  13.510   4.586
  359    H1   ALA   1           H1       ALA   1  34.839  -9.129  -0.571
  360    H2   ALA   1           H2       ALA   1  34.413 -10.739  -0.170
  361    H3   ALA   1           H3       ALA   1  34.041 -10.116  -1.725
  362    HA   ALA   1           HA       ALA   1  32.104 -10.197  -0.389
  363   1HB   ALA   1          1HB       ALA   1  33.555  -8.333   1.484
  364   2HB   ALA   1          2HB       ALA   1  33.289 -10.051   1.781
  365   3HB   ALA   1          3HB       ALA   1  31.913  -8.953   1.661
  366    H    LEU   2           H        LEU   2  31.262  -9.230  -2.187
  367    HA   LEU   2           HA       LEU   2  31.852  -6.467  -2.804
  368   1HB   LEU   2          1HB       LEU   2  29.894  -8.397  -4.052
  369   2HB   LEU   2          2HB       LEU   2  30.265  -6.799  -4.670
  370    HG   LEU   2           HG       LEU   2  32.644  -7.546  -4.958
  371   1HD1  LEU   2          1HD1      LEU   2  31.426 -10.138  -4.078
  372   2HD1  LEU   2          2HD1      LEU   2  32.849 -10.097  -5.117
  373   3HD1  LEU   2          3HD1      LEU   2  32.904  -9.358  -3.517
  374   1HD2  LEU   2          1HD2      LEU   2  30.414  -8.914  -6.441
  375   2HD2  LEU   2          2HD2      LEU   2  31.299  -7.458  -6.898
  376   3HD2  LEU   2          3HD2      LEU   2  32.103  -9.027  -6.935
  377    H    LYS   3           H        LYS   3  30.273  -4.793  -2.910
  378    HA   LYS   3           HA       LYS   3  28.148  -5.121  -0.907
  379   1HB   LYS   3          1HB       LYS   3  29.956  -2.914  -1.643
  380   2HB   LYS   3          2HB       LYS   3  28.292  -2.433  -1.339
  381   1HG   LYS   3          1HG       LYS   3  29.214  -2.224   0.748
  382   2HG   LYS   3          2HG       LYS   3  28.570  -3.866   0.822
  383   1HD   LYS   3          1HD       LYS   3  31.136  -4.126  -0.252
  384   2HD   LYS   3          2HD       LYS   3  31.295  -2.951   1.055
  385   1HE   LYS   3          1HE       LYS   3  29.633  -4.986   2.037
  386   2HE   LYS   3          2HE       LYS   3  30.951  -5.800   1.195
  387   1HZ   LYS   3          1HZ       LYS   3  31.495  -3.620   3.110
  388   2HZ   LYS   3          2HZ       LYS   3  31.258  -5.206   3.649
  389   3HZ   LYS   3          3HZ       LYS   3  32.527  -4.855   2.587
  390    H    LYS   4           H        LYS   4  28.034  -5.872  -3.795
  391    HA   LYS   4           HA       LYS   4  26.251  -3.966  -5.012
  392   1HB   LYS   4          1HB       LYS   4  27.281  -6.680  -5.792
  393   2HB   LYS   4          2HB       LYS   4  25.984  -5.912  -6.697
  394   1HG   LYS   4          1HG       LYS   4  27.828  -3.910  -6.567
  395   2HG   LYS   4          2HG       LYS   4  28.850  -5.346  -6.667
  396   1HD   LYS   4          1HD       LYS   4  26.552  -4.806  -8.541
  397   2HD   LYS   4          2HD       LYS   4  28.216  -4.318  -8.876
  398   1HE   LYS   4          1HE       LYS   4  28.843  -6.404  -9.408
  399   2HE   LYS   4          2HE       LYS   4  27.941  -7.115  -8.071
  400   1HZ   LYS   4          1HZ       LYS   4  26.576  -6.113 -10.494
  401   2HZ   LYS   4          2HZ       LYS   4  27.203  -7.683 -10.419
  402   3HZ   LYS   4          3HZ       LYS   4  25.998  -7.199  -9.332
  403    H    HIS   5           H        HIS   5  25.984  -7.011  -3.290
  404    HA   HIS   5           HA       HIS   5  23.336  -7.657  -3.867
  405   1HB   HIS   5          1HB       HIS   5  23.376  -9.012  -1.858
  406   2HB   HIS   5          2HB       HIS   5  24.930  -9.141  -2.676
  407    HD1  HIS   5           HD1      HIS   5  24.313  -9.590   0.448
  408    HD2  HIS   5           HD2      HIS   5  26.119  -6.281  -1.298
  409    HE1  HIS   5           HE1      HIS   5  25.672  -8.523   2.276
  410    HE2  HIS   5           HE2      HIS   5  26.757  -6.522   1.197
  411    H    HIS   6           H        HIS   6  24.641  -5.152  -1.882
  412    HA   HIS   6           HA       HIS   6  22.408  -4.727  -0.194
  413   1HB   HIS   6          1HB       HIS   6  24.939  -3.414  -0.766
  414   2HB   HIS   6          2HB       HIS   6  23.644  -2.248  -0.514
  415    HD1  HIS   6           HD1      HIS   6  24.072  -5.540   1.311
  416    HD2  HIS   6           HD2      HIS   6  24.215  -1.449   2.034
  417    HE1  HIS   6           HE1      HIS   6  24.308  -5.306   3.804
  418    HE2  HIS   6           HE2      HIS   6  24.392  -2.821   4.220
  419    H    GLU   7           H        GLU   7  23.466  -2.995  -3.130
  420    HA   GLU   7           HA       GLU   7  21.233  -1.318  -3.317
  421   1HB   GLU   7          1HB       GLU   7  23.574  -1.610  -4.715
  422   2HB   GLU   7          2HB       GLU   7  22.382  -2.151  -5.889
  423   1HG   GLU   7          1HG       GLU   7  21.645   0.318  -4.518
  424   2HG   GLU   7          2HG       GLU   7  23.130   0.436  -5.460
  425    H    ASN   8           H        ASN   8  21.654  -4.649  -4.141
  426    HA   ASN   8           HA       ASN   8  19.457  -4.858  -5.944
  427   1HB   ASN   8          1HB       ASN   8  21.502  -6.561  -4.989
  428   2HB   ASN   8          2HB       ASN   8  19.975  -7.337  -4.580
  429   2HD2  ASN   8          2HD2      ASN   8  22.214  -7.656  -6.688
  430   1HD2  ASN   8          1HD2      ASN   8  21.330  -7.922  -8.149
  431    H    GLU   9           H        GLU   9  19.882  -5.593  -2.494
  432    HA   GLU   9           HA       GLU   9  17.278  -6.514  -2.015
  433   1HB   GLU   9          1HB       GLU   9  19.401  -6.571  -0.504
  434   2HB   GLU   9          2HB       GLU   9  18.839  -5.003   0.056
  435   1HG   GLU   9          1HG       GLU   9  17.948  -6.459   1.607
  436   2HG   GLU   9          2HG       GLU   9  16.605  -6.200   0.495
  437    H    ILE  10           H        ILE  10  18.660  -3.254  -1.876
  438    HA   ILE  10           HA       ILE  10  16.257  -2.060  -0.929
  439    HB   ILE  10           HB       ILE  10  17.282   0.042  -1.222
  440   1HG1  ILE  10          1HG1      ILE  10  19.307  -1.285  -3.039
  441   2HG1  ILE  10          2HG1      ILE  10  18.014  -0.206  -3.559
  442   1HG2  ILE  10          1HG2      ILE  10  18.260  -1.310   0.537
  443   2HG2  ILE  10          2HG2      ILE  10  19.441  -1.960  -0.597
  444   3HG2  ILE  10          3HG2      ILE  10  19.471  -0.248  -0.181
  445   1HD1  ILE  10          1HD1      ILE  10  19.448   1.150  -1.553
  446   2HD1  ILE  10          2HD1      ILE  10  20.634   0.436  -2.650
  447   3HD1  ILE  10          3HD1      ILE  10  19.381   1.506  -3.282
  448    H    SER  11           H        SER  11  17.424  -3.010  -4.040
  449    HA   SER  11           HA       SER  11  15.813  -1.306  -5.623
  450   1HB   SER  11          1HB       SER  11  17.786  -2.915  -6.297
  451   2HB   SER  11          2HB       SER  11  16.491  -4.094  -6.507
  452    HG   SER  11           HG       SER  11  17.239  -2.158  -8.165
  453    H    HIS  12           H        HIS  12  15.306  -4.476  -4.155
  454    HA   HIS  12           HA       HIS  12  12.721  -4.847  -5.311
  455   1HB   HIS  12          1HB       HIS  12  13.373  -6.925  -4.731
  456   2HB   HIS  12          2HB       HIS  12  14.540  -6.323  -3.569
  457    HD1  HIS  12           HD1      HIS  12  11.021  -7.573  -3.844
  458    HD2  HIS  12           HD2      HIS  12  13.687  -6.313  -0.922
  459    HE1  HIS  12           HE1      HIS  12   9.974  -8.233  -1.653
  460    HE2  HIS  12           HE2      HIS  12  11.606  -7.461   0.106
  461    H    HIS  13           H        HIS  13  13.951  -3.393  -2.353
  462    HA   HIS  13           HA       HIS  13  11.450  -3.222  -1.015
  463   1HB   HIS  13          1HB       HIS  13  13.806  -1.364  -0.682
  464   2HB   HIS  13          2HB       HIS  13  12.507  -1.644   0.468
  465    HD1  HIS  13           HD1      HIS  13  12.696  -4.856   0.102
  466    HD2  HIS  13           HD2      HIS  13  15.734  -2.203   1.069
  467    HE1  HIS  13           HE1      HIS  13  14.426  -6.235   1.304
  468    HE2  HIS  13           HE2      HIS  13  16.263  -4.608   1.883
  469    H    ALA  14           H        ALA  14  13.044  -1.273  -3.435
  470    HA   ALA  14           HA       ALA  14  11.427   1.047  -3.108
  471   1HB   ALA  14          1HB       ALA  14  13.031   0.103  -5.488
  472   2HB   ALA  14          2HB       ALA  14  13.584   1.190  -4.213
  473   3HB   ALA  14          3HB       ALA  14  12.310   1.703  -5.318
  474    H    LYS  15           H        LYS  15  11.381  -1.602  -5.503
  475    HA   LYS  15           HA       LYS  15   8.991  -0.757  -6.750
  476   1HB   LYS  15          1HB       LYS  15  10.808  -2.982  -6.950
  477   2HB   LYS  15          2HB       LYS  15   9.152  -3.570  -6.968
  478   1HG   LYS  15          1HG       LYS  15   8.640  -2.476  -8.930
  479   2HG   LYS  15          2HG       LYS  15   9.926  -1.285  -8.722
  480   1HD   LYS  15          1HD       LYS  15  11.188  -3.794  -8.850
  481   2HD   LYS  15          2HD       LYS  15   9.975  -3.786 -10.133
  482   1HE   LYS  15          1HE       LYS  15  12.072  -1.664  -9.687
  483   2HE   LYS  15          2HE       LYS  15  12.145  -2.935 -10.906
  484   1HZ   LYS  15          1HZ       LYS  15   9.704  -1.456 -11.028
  485   2HZ   LYS  15          2HZ       LYS  15  11.054  -0.457 -11.227
  486   3HZ   LYS  15          3HZ       LYS  15  10.824  -1.785 -12.251
  487    H    GLU  16           H        GLU  16   9.629  -2.379  -3.784
  488    HA   GLU  16           HA       GLU  16   7.082  -3.634  -3.494
  489   1HB   GLU  16          1HB       GLU  16   9.480  -3.208  -1.802
  490   2HB   GLU  16          2HB       GLU  16   7.959  -3.468  -0.957
  491   1HG   GLU  16          1HG       GLU  16   9.070  -5.308  -3.062
  492   2HG   GLU  16          2HG       GLU  16   9.281  -5.530  -1.326
  493    H    ILE  17           H        ILE  17   8.521  -0.588  -2.320
  494    HA   ILE  17           HA       ILE  17   6.259   0.151  -0.774
  495    HB   ILE  17           HB       ILE  17   7.322   2.152  -0.327
  496   1HG1  ILE  17          1HG1      ILE  17   9.202   3.016  -1.923
  497   2HG1  ILE  17          2HG1      ILE  17   8.427   1.987  -3.119
  498   1HG2  ILE  17          1HG2      ILE  17   8.911  -0.128  -0.424
  499   2HG2  ILE  17          2HG2      ILE  17   9.925   1.179  -1.033
  500   3HG2  ILE  17          3HG2      ILE  17   9.160   1.317   0.549
  501   1HD1  ILE  17          1HD1      ILE  17   6.655   3.807  -1.632
  502   2HD1  ILE  17          2HD1      ILE  17   7.799   4.555  -2.746
  503   3HD1  ILE  17          3HD1      ILE  17   6.651   3.352  -3.335
  504    H    GLU  18           H        GLU  18   7.236   0.821  -4.107
  505    HA   GLU  18           HA       GLU  18   5.088   2.606  -4.661
  506   1HB   GLU  18          1HB       GLU  18   7.306   1.403  -6.113
  507   2HB   GLU  18          2HB       GLU  18   5.848   1.492  -7.091
  508   1HG   GLU  18          1HG       GLU  18   5.726   3.938  -6.336
  509   2HG   GLU  18          2HG       GLU  18   7.401   3.719  -5.833
  510    H    ARG  19           H        ARG  19   5.441  -0.842  -4.645
  511    HA   ARG  19           HA       ARG  19   3.145  -1.388  -6.268
  512   1HB   ARG  19          1HB       ARG  19   5.104  -2.966  -4.711
  513   2HB   ARG  19          2HB       ARG  19   3.516  -3.696  -4.911
  514   1HG   ARG  19          1HG       ARG  19   3.724  -3.461  -7.341
  515   2HG   ARG  19          2HG       ARG  19   5.329  -2.761  -7.127
  516   1HD   ARG  19          1HD       ARG  19   5.841  -4.965  -7.556
  517   2HD   ARG  19          2HD       ARG  19   5.802  -4.947  -5.793
  518    HE   ARG  19           HE       ARG  19   4.102  -6.451  -5.907
  519   1HH1  ARG  19          1HH1      ARG  19   4.134  -4.617  -8.867
  520   2HH1  ARG  19          2HH1      ARG  19   2.836  -5.509  -9.587
  521   1HH2  ARG  19          1HH2      ARG  19   2.391  -7.633  -6.844
  522   2HH2  ARG  19          2HH2      ARG  19   1.844  -7.224  -8.436
  523    H    LEU  20           H        LEU  20   3.771  -1.038  -2.826
  524    HA   LEU  20           HA       LEU  20   1.245  -2.042  -1.976
  525   1HB   LEU  20          1HB       LEU  20   3.506  -0.585  -0.713
  526   2HB   LEU  20          2HB       LEU  20   1.952  -0.517   0.096
  527    HG   LEU  20           HG       LEU  20   3.223  -2.299   1.063
  528   1HD1  LEU  20          1HD1      LEU  20   0.771  -2.636   0.585
  529   2HD1  LEU  20          2HD1      LEU  20   1.261  -3.610  -0.801
  530   3HD1  LEU  20          3HD1      LEU  20   1.714  -4.106   0.830
  531   1HD2  LEU  20          1HD2      LEU  20   3.742  -3.033  -1.785
  532   2HD2  LEU  20          2HD2      LEU  20   4.869  -2.894  -0.437
  533   3HD2  LEU  20          3HD2      LEU  20   3.780  -4.277  -0.535
  534    H    GLN  21           H        GLN  21   2.500   1.124  -2.835
  535    HA   GLN  21           HA       GLN  21   0.270   2.627  -1.933
  536   1HB   GLN  21          1HB       GLN  21   2.764   3.186  -3.082
  537   2HB   GLN  21          2HB       GLN  21   1.586   3.806  -4.229
  538   1HG   GLN  21          1HG       GLN  21   1.171   4.461  -1.373
  539   2HG   GLN  21          2HG       GLN  21   2.514   5.246  -2.203
  540   2HE2  GLN  21          2HE2      GLN  21  -0.951   4.806  -2.138
  541   1HE2  GLN  21          1HE2      GLN  21  -1.343   6.198  -3.082
  542    H    LYS  22           H        LYS  22   1.155   1.271  -5.092
  543    HA   LYS  22           HA       LYS  22  -1.062   2.256  -6.516
  544   1HB   LYS  22          1HB       LYS  22   1.078   0.324  -6.958
  545   2HB   LYS  22          2HB       LYS  22  -0.430  -0.161  -7.723
  546   1HG   LYS  22          1HG       LYS  22   0.840   1.084  -9.306
  547   2HG   LYS  22          2HG       LYS  22  -0.527   2.081  -8.802
  548   1HD   LYS  22          1HD       LYS  22   2.048   2.352  -7.331
  549   2HD   LYS  22          2HD       LYS  22   1.919   3.067  -8.940
  550   1HE   LYS  22          1HE       LYS  22  -0.341   4.008  -7.959
  551   2HE   LYS  22          2HE       LYS  22   0.490   3.765  -6.424
  552   1HZ   LYS  22          1HZ       LYS  22   1.558   5.350  -8.697
  553   2HZ   LYS  22          2HZ       LYS  22   0.810   6.005  -7.328
  554   3HZ   LYS  22          3HZ       LYS  22   2.274   5.173  -7.175
  555    H    GLU  23           H        GLU  23  -0.625  -0.530  -4.454
  556    HA   GLU  23           HA       GLU  23  -2.957  -1.937  -5.201
  557   1HB   GLU  23          1HB       GLU  23  -0.937  -2.741  -3.804
  558   2HB   GLU  23          2HB       GLU  23  -1.772  -2.017  -2.436
  559   1HG   GLU  23          1HG       GLU  23  -2.132  -4.476  -2.762
  560   2HG   GLU  23          2HG       GLU  23  -3.594  -3.499  -2.638
  561    H    ILE  24           H        ILE  24  -2.326   0.338  -2.527
  562    HA   ILE  24           HA       ILE  24  -4.956   0.277  -1.505
  563    HB   ILE  24           HB       ILE  24  -3.186   1.143  -0.122
  564   1HG1  ILE  24          1HG1      ILE  24  -5.162   3.302  -0.885
  565   2HG1  ILE  24          2HG1      ILE  24  -5.397   2.047   0.326
  566   1HG2  ILE  24          1HG2      ILE  24  -2.835   3.165  -2.309
  567   2HG2  ILE  24          2HG2      ILE  24  -2.215   3.421  -0.678
  568   3HG2  ILE  24          3HG2      ILE  24  -1.645   2.053  -1.633
  569   1HD1  ILE  24          1HD1      ILE  24  -3.096   3.276   1.162
  570   2HD1  ILE  24          2HD1      ILE  24  -4.057   4.613   0.530
  571   3HD1  ILE  24          3HD1      ILE  24  -4.719   3.568   1.788
  572    H    GLU  25           H        GLU  25  -3.550   1.853  -4.237
  573    HA   GLU  25           HA       GLU  25  -5.428   3.955  -4.526
  574   1HB   GLU  25          1HB       GLU  25  -3.100   3.422  -5.726
  575   2HB   GLU  25          2HB       GLU  25  -4.176   2.742  -6.937
  576   1HG   GLU  25          1HG       GLU  25  -4.987   5.388  -6.024
  577   2HG   GLU  25          2HG       GLU  25  -3.393   5.355  -6.776
  578    H    ARG  26           H        ARG  26  -5.200   0.709  -5.971
  579    HA   ARG  26           HA       ARG  26  -7.605   0.911  -7.456
  580   1HB   ARG  26          1HB       ARG  26  -5.693  -1.221  -6.738
  581   2HB   ARG  26          2HB       ARG  26  -7.331  -1.767  -7.067
  582   1HG   ARG  26          1HG       ARG  26  -6.043  -1.885  -9.083
  583   2HG   ARG  26          2HG       ARG  26  -7.240  -0.599  -9.245
  584   1HD   ARG  26          1HD       ARG  26  -5.673   0.993  -9.426
  585   2HD   ARG  26          2HD       ARG  26  -4.687   0.296  -8.141
  586    HE   ARG  26           HE       ARG  26  -3.381  -0.626  -9.758
  587   1HH1  ARG  26          1HH1      ARG  26  -6.546  -0.064 -11.098
  588   2HH1  ARG  26          2HH1      ARG  26  -6.110  -0.594 -12.688
  589   1HH2  ARG  26          1HH2      ARG  26  -2.795  -1.326 -11.848
  590   2HH2  ARG  26          2HH2      ARG  26  -3.977  -1.312 -13.115
  591    H    HIS  27           H        HIS  27  -6.853  -0.172  -4.195
  592    HA   HIS  27           HA       HIS  27  -9.460  -1.212  -3.667
  593   1HB   HIS  27          1HB       HIS  27  -6.933  -1.188  -2.375
  594   2HB   HIS  27          2HB       HIS  27  -8.091  -0.469  -1.265
  595    HD1  HIS  27           HD1      HIS  27 -10.046  -1.998  -0.442
  596    HD2  HIS  27           HD2      HIS  27  -7.210  -3.914  -2.799
  597    HE1  HIS  27           HE1      HIS  27 -10.469  -4.459  -0.136
  598    HE2  HIS  27           HE2      HIS  27  -8.742  -5.600  -1.572
  599    H    LYS  28           H        LYS  28  -8.017   1.907  -3.674
  600    HA   LYS  28           HA       LYS  28  -9.849   3.121  -1.838
  601   1HB   LYS  28          1HB       LYS  28  -7.642   4.086  -2.123
  602   2HB   LYS  28          2HB       LYS  28  -7.931   4.314  -3.842
  603   1HG   LYS  28          1HG       LYS  28 -10.011   5.690  -2.787
  604   2HG   LYS  28          2HG       LYS  28  -8.774   5.938  -1.552
  605   1HD   LYS  28          1HD       LYS  28  -8.142   7.641  -2.887
  606   2HD   LYS  28          2HD       LYS  28  -7.331   6.367  -3.800
  607   1HE   LYS  28          1HE       LYS  28  -8.663   6.668  -5.561
  608   2HE   LYS  28          2HE       LYS  28 -10.111   6.616  -4.558
  609   1HZ   LYS  28          1HZ       LYS  28  -8.787   9.053  -4.120
  610   2HZ   LYS  28          2HZ       LYS  28  -8.959   8.833  -5.789
  611   3HZ   LYS  28          3HZ       LYS  28 -10.320   8.793  -4.784
  612    H    GLN  29           H        GLN  29  -9.655   2.609  -5.286
  613    HA   GLN  29           HA       GLN  29 -11.765   4.407  -5.972
  614   1HB   GLN  29          1HB       GLN  29 -10.138   3.784  -7.650
  615   2HB   GLN  29          2HB       GLN  29 -10.541   2.083  -7.468
  616   1HG   GLN  29          1HG       GLN  29 -11.916   2.355  -9.184
  617   2HG   GLN  29          2HG       GLN  29 -12.959   3.253  -8.083
  618   2HE2  GLN  29          2HE2      GLN  29 -10.075   3.756 -10.091
  619   1HE2  GLN  29          1HE2      GLN  29 -10.544   5.312 -10.678
  620    H    SER  30           H        SER  30 -11.546   0.926  -5.365
  621    HA   SER  30           HA       SER  30 -14.254   0.351  -5.977
  622   1HB   SER  30          1HB       SER  30 -11.972  -1.074  -4.780
  623   2HB   SER  30          2HB       SER  30 -13.552  -1.614  -4.210
  624    HG   SER  30           HG       SER  30 -12.352  -2.092  -6.563
  625    H    ILE  31           H        ILE  31 -12.574   1.065  -2.938
  626    HA   ILE  31           HA       ILE  31 -14.874   0.739  -1.290
  627    HB   ILE  31           HB       ILE  31 -12.665   0.529  -0.326
  628   1HG1  ILE  31          1HG1      ILE  31 -12.854   2.267   1.543
  629   2HG1  ILE  31          2HG1      ILE  31 -14.289   2.853   0.703
  630   1HG2  ILE  31          1HG2      ILE  31 -11.797   2.445  -1.912
  631   2HG2  ILE  31          2HG2      ILE  31 -12.161   3.463  -0.523
  632   3HG2  ILE  31          3HG2      ILE  31 -11.017   2.133  -0.364
  633   1HD1  ILE  31          1HD1      ILE  31 -14.852   0.234   0.840
  634   2HD1  ILE  31          2HD1      ILE  31 -13.870   0.429   2.293
  635   3HD1  ILE  31          3HD1      ILE  31 -15.320   1.409   2.068
  636    H    LYS  32           H        LYS  32 -13.583   3.386  -3.138
  637    HA   LYS  32           HA       LYS  32 -15.164   5.393  -1.809
  638   1HB   LYS  32          1HB       LYS  32 -13.289   5.337  -4.130
  639   2HB   LYS  32          2HB       LYS  32 -14.425   6.674  -4.008
  640   1HG   LYS  32          1HG       LYS  32 -13.396   6.556  -1.478
  641   2HG   LYS  32          2HG       LYS  32 -12.008   6.118  -2.477
  642   1HD   LYS  32          1HD       LYS  32 -12.915   8.199  -3.893
  643   2HD   LYS  32          2HD       LYS  32 -13.495   8.673  -2.296
  644   1HE   LYS  32          1HE       LYS  32 -11.241   8.469  -1.400
  645   2HE   LYS  32          2HE       LYS  32 -10.650   7.934  -2.972
  646   1HZ   LYS  32          1HZ       LYS  32 -11.675  10.189  -3.740
  647   2HZ   LYS  32          2HZ       LYS  32 -11.483  10.614  -2.115
  648   3HZ   LYS  32          3HZ       LYS  32 -10.140  10.147  -3.031
  649    H    LYS  33           H        LYS  33 -15.603   3.162  -4.398
  650    HA   LYS  33           HA       LYS  33 -17.741   4.621  -5.657
  651   1HB   LYS  33          1HB       LYS  33 -16.267   2.128  -6.146
  652   2HB   LYS  33          2HB       LYS  33 -17.970   2.055  -6.583
  653   1HG   LYS  33          1HG       LYS  33 -16.451   4.426  -7.489
  654   2HG   LYS  33          2HG       LYS  33 -16.083   2.883  -8.263
  655   1HD   LYS  33          1HD       LYS  33 -18.815   2.869  -8.243
  656   2HD   LYS  33          2HD       LYS  33 -18.460   4.582  -8.480
  657   1HE   LYS  33          1HE       LYS  33 -16.908   3.899 -10.333
  658   2HE   LYS  33          2HE       LYS  33 -17.541   2.261 -10.166
  659   1HZ   LYS  33          1HZ       LYS  33 -19.661   4.128 -10.372
  660   2HZ   LYS  33          2HZ       LYS  33 -18.600   4.315 -11.676
  661   3HZ   LYS  33          3HZ       LYS  33 -19.304   2.808 -11.366
  662    H    LEU  34           H        LEU  34 -17.474   1.879  -3.416
  663    HA   LEU  34           HA       LEU  34 -20.337   1.501  -3.387
  664   1HB   LEU  34          1HB       LEU  34 -18.209   0.313  -1.607
  665   2HB   LEU  34          2HB       LEU  34 -19.885  -0.197  -1.687
  666    HG   LEU  34           HG       LEU  34 -18.264  -0.276  -4.188
  667   1HD1  LEU  34          1HD1      LEU  34 -16.908  -1.304  -2.322
  668   2HD1  LEU  34          2HD1      LEU  34 -18.193  -2.503  -2.170
  669   3HD1  LEU  34          3HD1      LEU  34 -17.289  -2.366  -3.678
  670   1HD2  LEU  34          1HD2      LEU  34 -20.712  -0.763  -4.111
  671   2HD2  LEU  34          2HD2      LEU  34 -19.725  -2.087  -4.731
  672   3HD2  LEU  34          3HD2      LEU  34 -20.348  -2.148  -3.081
  673    H    LYS  35           H        LYS  35 -17.970   3.303  -1.629
  674    HA   LYS  35           HA       LYS  35 -19.689   3.765   0.652
  675   1HB   LYS  35          1HB       LYS  35 -17.142   3.659   0.726
  676   2HB   LYS  35          2HB       LYS  35 -17.152   5.246  -0.031
  677   1HG   LYS  35          1HG       LYS  35 -18.908   5.350   2.184
  678   2HG   LYS  35          2HG       LYS  35 -17.412   4.577   2.716
  679   1HD   LYS  35          1HD       LYS  35 -17.396   7.115   1.109
  680   2HD   LYS  35          2HD       LYS  35 -17.554   7.131   2.868
  681   1HE   LYS  35          1HE       LYS  35 -15.265   6.092   1.216
  682   2HE   LYS  35          2HE       LYS  35 -15.248   7.408   2.389
  683   1HZ   LYS  35          1HZ       LYS  35 -16.050   5.421   3.939
  684   2HZ   LYS  35          2HZ       LYS  35 -15.137   4.533   2.824
  685   3HZ   LYS  35          3HZ       LYS  35 -14.417   5.789   3.698
  686    H    GLN  36           H        GLN  36 -18.922   5.270  -2.383
  687    HA   GLN  36           HA       GLN  36 -20.068   7.824  -1.671
  688   1HB   GLN  36          1HB       GLN  36 -18.953   6.636  -4.193
  689   2HB   GLN  36          2HB       GLN  36 -19.868   8.137  -4.246
  690   1HG   GLN  36          1HG       GLN  36 -18.296   9.234  -2.831
  691   2HG   GLN  36          2HG       GLN  36 -17.455   7.719  -2.502
  692   2HE2  GLN  36          2HE2      GLN  36 -18.649   9.035  -5.556
  693   1HE2  GLN  36          1HE2      GLN  36 -17.109   9.096  -6.338
  694    H    SER  37           H        SER  37 -21.061   4.896  -3.320
  695    HA   SER  37           HA       SER  37 -23.519   5.984  -4.314
  696   1HB   SER  37          1HB       SER  37 -22.029   3.654  -4.764
  697   2HB   SER  37          2HB       SER  37 -23.539   3.098  -4.043
  698    HG   SER  37           HG       SER  37 -24.057   3.255  -6.128
  699    H    GLU  38           H        GLU  38 -22.476   4.407  -1.389
  700    HA   GLU  38           HA       GLU  38 -25.104   3.753  -0.456
  701   1HB   GLU  38          1HB       GLU  38 -22.497   3.117   0.304
  702   2HB   GLU  38          2HB       GLU  38 -23.124   4.067   1.644
  703   1HG   GLU  38          1HG       GLU  38 -25.058   2.123   0.759
  704   2HG   GLU  38          2HG       GLU  38 -23.522   1.359   1.165
  705    H    ASP  39           H        ASP  39 -23.007   6.523  -0.275
  706    HA   ASP  39           HA       ASP  39 -24.328   7.816   1.893
  707   1HB   ASP  39          1HB       ASP  39 -21.967   8.263   0.931
  708   2HB   ASP  39          2HB       ASP  39 -22.799   9.263  -0.255
  709    H    ASP  40           H        ASP  40 -24.888   7.601  -1.526
  710    HA   ASP  40           HA       ASP  40 -26.639   8.275  -2.819
  711   1HB   ASP  40          1HB       ASP  40 -27.698   8.373  -0.109
  712   2HB   ASP  40          2HB       ASP  40 -28.449   9.576  -1.152
  713    H    ASP  41           H        ASP  41 -28.052  10.389  -3.223
  714    HA   ASP  41           HA       ASP  41 -26.724  12.829  -2.434
  715   1HB   ASP  41          1HB       ASP  41 -26.804  12.181  -5.379
  716   2HB   ASP  41          2HB       ASP  41 -25.981  13.520  -4.584

  No H/Q in entry =         716
  Start of MODEL   34
    1    H1   ALA   1           H1       ALA   1 -32.850   6.437   2.918
    2    H2   ALA   1           H2       ALA   1 -32.285   7.413   4.211
    3    H3   ALA   1           H3       ALA   1 -32.114   7.950   2.591
    4    HA   ALA   1           HA       ALA   1 -30.526   6.386   2.104
    5   1HB   ALA   1          1HB       ALA   1 -28.779   6.870   3.693
    6   2HB   ALA   1          2HB       ALA   1 -29.968   7.325   4.914
    7   3HB   ALA   1          3HB       ALA   1 -29.772   8.309   3.463
    8    H    LEU   2           H        LEU   2 -31.012   4.254   1.922
    9    HA   LEU   2           HA       LEU   2 -30.703   2.639   4.355
   10   1HB   LEU   2          1HB       LEU   2 -32.676   1.908   2.210
   11   2HB   LEU   2          2HB       LEU   2 -32.528   1.239   3.824
   12    HG   LEU   2           HG       LEU   2 -33.136   4.118   3.741
   13   1HD1  LEU   2          1HD1      LEU   2 -34.421   3.085   1.796
   14   2HD1  LEU   2          2HD1      LEU   2 -35.330   2.200   3.021
   15   3HD1  LEU   2          3HD1      LEU   2 -35.356   3.963   3.007
   16   1HD2  LEU   2          1HD2      LEU   2 -33.485   1.831   5.454
   17   2HD2  LEU   2          2HD2      LEU   2 -33.601   3.549   5.837
   18   3HD2  LEU   2          3HD2      LEU   2 -35.013   2.683   5.230
   19    H    LYS   3           H        LYS   3 -28.579   2.164   3.730
   20    HA   LYS   3           HA       LYS   3 -28.255   0.667   1.226
   21   1HB   LYS   3          1HB       LYS   3 -26.599   2.534   2.678
   22   2HB   LYS   3          2HB       LYS   3 -25.743   1.018   2.434
   23   1HG   LYS   3          1HG       LYS   3 -25.280   2.566   0.632
   24   2HG   LYS   3          2HG       LYS   3 -26.166   1.163   0.032
   25   1HD   LYS   3          1HD       LYS   3 -27.888   3.364   0.889
   26   2HD   LYS   3          2HD       LYS   3 -26.817   3.782  -0.449
   27   1HE   LYS   3          1HE       LYS   3 -27.679   1.388  -1.295
   28   2HE   LYS   3          2HE       LYS   3 -29.078   1.880  -0.340
   29   1HZ   LYS   3          1HZ       LYS   3 -27.936   3.809  -2.226
   30   2HZ   LYS   3          2HZ       LYS   3 -28.857   2.534  -2.849
   31   3HZ   LYS   3          3HZ       LYS   3 -29.540   3.604  -1.733
   32    H    LYS   4           H        LYS   4 -26.431   0.465   4.253
   33    HA   LYS   4           HA       LYS   4 -26.071  -1.248   5.716
   34   1HB   LYS   4          1HB       LYS   4 -28.615  -1.896   4.640
   35   2HB   LYS   4          2HB       LYS   4 -27.665  -3.376   4.653
   36   1HG   LYS   4          1HG       LYS   4 -28.170  -3.605   6.793
   37   2HG   LYS   4          2HG       LYS   4 -27.202  -2.168   7.130
   38   1HD   LYS   4          1HD       LYS   4 -29.879  -1.577   6.111
   39   2HD   LYS   4          2HD       LYS   4 -29.878  -2.441   7.650
   40   1HE   LYS   4          1HE       LYS   4 -28.260  -0.733   8.507
   41   2HE   LYS   4          2HE       LYS   4 -28.513   0.169   7.013
   42   1HZ   LYS   4          1HZ       LYS   4 -31.034  -0.292   7.891
   43   2HZ   LYS   4          2HZ       LYS   4 -30.192  -0.032   9.336
   44   3HZ   LYS   4          3HZ       LYS   4 -30.168   1.143   8.120
   45    H    HIS   5           H        HIS   5 -26.893  -3.221   2.875
   46    HA   HIS   5           HA       HIS   5 -24.765  -4.935   2.979
   47   1HB   HIS   5          1HB       HIS   5 -25.185  -5.469   0.676
   48   2HB   HIS   5          2HB       HIS   5 -26.733  -5.089   1.426
   49    HD1  HIS   5           HD1      HIS   5 -25.687  -4.798  -1.691
   50    HD2  HIS   5           HD2      HIS   5 -26.592  -1.807   1.048
   51    HE1  HIS   5           HE1      HIS   5 -26.229  -2.766  -3.069
   52    HE2  HIS   5           HE2      HIS   5 -26.775  -0.968  -1.393
   53    H    HIS   6           H        HIS   6 -24.814  -1.653   1.833
   54    HA   HIS   6           HA       HIS   6 -22.346  -1.713   0.431
   55   1HB   HIS   6          1HB       HIS   6 -24.188   0.402   1.431
   56   2HB   HIS   6          2HB       HIS   6 -22.531   0.878   1.076
   57    HD1  HIS   6           HD1      HIS   6 -24.114  -1.748  -1.037
   58    HD2  HIS   6           HD2      HIS   6 -23.421   2.348  -1.161
   59    HE1  HIS   6           HE1      HIS   6 -24.584  -1.058  -3.409
   60    HE2  HIS   6           HE2      HIS   6 -24.159   1.426  -3.462
   61    H    GLU   7           H        GLU   7 -23.222  -0.644   3.714
   62    HA   GLU   7           HA       GLU   7 -20.662   0.106   4.536
   63   1HB   GLU   7          1HB       GLU   7 -21.494   0.016   6.774
   64   2HB   GLU   7          2HB       GLU   7 -22.811   0.568   5.751
   65   1HG   GLU   7          1HG       GLU   7 -24.099  -1.133   6.348
   66   2HG   GLU   7          2HG       GLU   7 -22.825  -2.305   6.012
   67    H    ASN   8           H        ASN   8 -22.048  -3.013   4.028
   68    HA   ASN   8           HA       ASN   8 -20.288  -4.493   5.713
   69   1HB   ASN   8          1HB       ASN   8 -22.518  -5.054   4.037
   70   2HB   ASN   8          2HB       ASN   8 -21.191  -6.088   3.518
   71   2HD2  ASN   8          2HD2      ASN   8 -23.517  -5.440   5.941
   72   1HD2  ASN   8          1HD2      ASN   8 -23.142  -6.771   6.977
   73    H    GLU   9           H        GLU   9 -20.440  -4.194   2.150
   74    HA   GLU   9           HA       GLU   9 -17.831  -5.315   1.804
   75   1HB   GLU   9          1HB       GLU   9 -19.499  -3.697  -0.133
   76   2HB   GLU   9          2HB       GLU   9 -18.091  -4.665  -0.547
   77   1HG   GLU   9          1HG       GLU   9 -19.330  -6.482  -0.753
   78   2HG   GLU   9          2HG       GLU   9 -19.995  -6.271   0.867
   79    H    ILE  10           H        ILE  10 -18.856  -2.324   2.886
   80    HA   ILE  10           HA       ILE  10 -16.652  -0.800   1.776
   81    HB   ILE  10           HB       ILE  10 -19.052  -0.112   3.464
   82   1HG1  ILE  10          1HG1      ILE  10 -18.136   1.119   0.874
   83   2HG1  ILE  10          2HG1      ILE  10 -19.112  -0.346   0.922
   84   1HG2  ILE  10          1HG2      ILE  10 -17.110   1.157   4.346
   85   2HG2  ILE  10          2HG2      ILE  10 -16.885   1.849   2.739
   86   3HG2  ILE  10          3HG2      ILE  10 -18.367   2.172   3.641
   87   1HD1  ILE  10          1HD1      ILE  10 -20.713   1.065   2.379
   88   2HD1  ILE  10          2HD1      ILE  10 -19.845   2.439   1.696
   89   3HD1  ILE  10          3HD1      ILE  10 -20.685   1.312   0.633
   90    H    SER  11           H        SER  11 -17.632  -2.399   4.713
   91    HA   SER  11           HA       SER  11 -15.568  -1.196   6.329
   92   1HB   SER  11          1HB       SER  11 -16.267  -3.061   7.953
   93   2HB   SER  11          2HB       SER  11 -17.492  -1.858   7.551
   94    HG   SER  11           HG       SER  11 -18.462  -3.821   7.330
   95    H    HIS  12           H        HIS  12 -16.020  -4.040   4.375
   96    HA   HIS  12           HA       HIS  12 -13.665  -5.371   5.327
   97   1HB   HIS  12          1HB       HIS  12 -14.952  -7.035   4.499
   98   2HB   HIS  12          2HB       HIS  12 -15.871  -5.937   3.482
   99    HD1  HIS  12           HD1      HIS  12 -13.030  -8.340   3.419
  100    HD2  HIS  12           HD2      HIS  12 -14.917  -5.680   0.846
  101    HE1  HIS  12           HE1      HIS  12 -12.192  -8.924   1.119
  102    HE2  HIS  12           HE2      HIS  12 -13.348  -7.302  -0.425
  103    H    HIS  13           H        HIS  13 -14.535  -3.580   2.345
  104    HA   HIS  13           HA       HIS  13 -11.948  -3.763   1.205
  105   1HB   HIS  13          1HB       HIS  13 -14.133  -1.725   0.786
  106   2HB   HIS  13          2HB       HIS  13 -12.672  -1.817  -0.184
  107    HD1  HIS  13           HD1      HIS  13 -12.812  -5.054  -0.304
  108    HD2  HIS  13           HD2      HIS  13 -15.753  -2.316  -1.323
  109    HE1  HIS  13           HE1      HIS  13 -14.311  -6.263  -1.927
  110    HE2  HIS  13           HE2      HIS  13 -16.094  -4.585  -2.535
  111    H    ALA  14           H        ALA  14 -13.368  -1.708   3.618
  112    HA   ALA  14           HA       ALA  14 -11.519   0.429   3.480
  113   1HB   ALA  14          1HB       ALA  14 -12.280   0.703   5.961
  114   2HB   ALA  14          2HB       ALA  14 -13.431   0.978   4.653
  115   3HB   ALA  14          3HB       ALA  14 -13.452  -0.546   5.541
  116    H    LYS  15           H        LYS  15 -11.668  -2.441   5.599
  117    HA   LYS  15           HA       LYS  15  -9.246  -1.883   6.951
  118   1HB   LYS  15          1HB       LYS  15  -9.330  -4.343   7.537
  119   2HB   LYS  15          2HB       LYS  15 -10.751  -3.408   7.981
  120   1HG   LYS  15          1HG       LYS  15 -12.006  -4.300   6.171
  121   2HG   LYS  15          2HG       LYS  15 -10.569  -5.037   5.461
  122   1HD   LYS  15          1HD       LYS  15 -11.901  -5.793   8.060
  123   2HD   LYS  15          2HD       LYS  15 -11.865  -6.739   6.571
  124   1HE   LYS  15          1HE       LYS  15 -10.163  -7.759   7.691
  125   2HE   LYS  15          2HE       LYS  15  -9.251  -6.472   6.904
  126   1HZ   LYS  15          1HZ       LYS  15 -10.305  -5.574   9.376
  127   2HZ   LYS  15          2HZ       LYS  15  -9.409  -6.989   9.610
  128   3HZ   LYS  15          3HZ       LYS  15  -8.693  -5.647   8.869
  129    H    GLU  16           H        GLU  16  -9.993  -3.354   3.904
  130    HA   GLU  16           HA       GLU  16  -7.522  -4.698   3.512
  131   1HB   GLU  16          1HB       GLU  16  -9.849  -3.958   1.811
  132   2HB   GLU  16          2HB       GLU  16  -8.343  -4.370   1.001
  133   1HG   GLU  16          1HG       GLU  16  -9.992  -6.247   1.336
  134   2HG   GLU  16          2HG       GLU  16  -8.341  -6.548   1.877
  135    H    ILE  17           H        ILE  17  -8.726  -1.479   2.585
  136    HA   ILE  17           HA       ILE  17  -6.441  -0.800   1.051
  137    HB   ILE  17           HB       ILE  17  -7.339   1.318   0.800
  138   1HG1  ILE  17          1HG1      ILE  17  -9.274   1.969   2.574
  139   2HG1  ILE  17          2HG1      ILE  17  -8.240   0.996   3.615
  140   1HG2  ILE  17          1HG2      ILE  17  -9.098  -0.858   0.725
  141   2HG2  ILE  17          2HG2      ILE  17 -10.009   0.488   1.404
  142   3HG2  ILE  17          3HG2      ILE  17  -9.214   0.661  -0.157
  143   1HD1  ILE  17          1HD1      ILE  17  -7.073   3.185   1.955
  144   2HD1  ILE  17          2HD1      ILE  17  -7.874   3.543   3.484
  145   3HD1  ILE  17          3HD1      ILE  17  -6.473   2.472   3.452
  146    H    GLU  18           H        GLU  18  -7.254  -0.448   4.455
  147    HA   GLU  18           HA       GLU  18  -5.036   1.207   5.116
  148   1HB   GLU  18          1HB       GLU  18  -6.853  -0.545   6.765
  149   2HB   GLU  18          2HB       GLU  18  -5.542   0.385   7.477
  150   1HG   GLU  18          1HG       GLU  18  -7.672   1.662   5.798
  151   2HG   GLU  18          2HG       GLU  18  -7.863   1.406   7.532
  152    H    ARG  19           H        ARG  19  -5.510  -2.219   4.758
  153    HA   ARG  19           HA       ARG  19  -3.181  -3.046   6.168
  154   1HB   ARG  19          1HB       ARG  19  -5.377  -4.309   5.056
  155   2HB   ARG  19          2HB       ARG  19  -4.046  -4.843   4.039
  156   1HG   ARG  19          1HG       ARG  19  -4.168  -6.453   5.711
  157   2HG   ARG  19          2HG       ARG  19  -2.843  -5.406   6.224
  158   1HD   ARG  19          1HD       ARG  19  -3.920  -4.782   8.080
  159   2HD   ARG  19          2HD       ARG  19  -5.429  -4.512   7.210
  160    HE   ARG  19           HE       ARG  19  -5.209  -7.229   7.377
  161   1HH1  ARG  19          1HH1      ARG  19  -5.212  -4.608   9.669
  162   2HH1  ARG  19          2HH1      ARG  19  -5.913  -5.549  10.943
  163   1HH2  ARG  19          1HH2      ARG  19  -6.131  -8.480   9.047
  164   2HH2  ARG  19          2HH2      ARG  19  -6.434  -7.752  10.589
  165    H    LEU  20           H        LEU  20  -3.857  -2.423   2.727
  166    HA   LEU  20           HA       LEU  20  -1.253  -3.220   1.881
  167   1HB   LEU  20          1HB       LEU  20  -3.526  -1.763   0.569
  168   2HB   LEU  20          2HB       LEU  20  -1.975  -1.926  -0.233
  169    HG   LEU  20           HG       LEU  20  -3.344  -3.660  -1.076
  170   1HD1  LEU  20          1HD1      LEU  20  -1.009  -4.268  -0.379
  171   2HD1  LEU  20          2HD1      LEU  20  -1.708  -4.987   1.071
  172   3HD1  LEU  20          3HD1      LEU  20  -2.133  -5.620  -0.519
  173   1HD2  LEU  20          1HD2      LEU  20  -4.056  -4.203   1.797
  174   2HD2  LEU  20          2HD2      LEU  20  -5.127  -3.698   0.491
  175   3HD2  LEU  20          3HD2      LEU  20  -4.422  -5.314   0.477
  176    H    GLN  21           H        GLN  21  -2.698  -0.269   3.015
  177    HA   GLN  21           HA       GLN  21  -0.612   1.458   2.076
  178   1HB   GLN  21          1HB       GLN  21  -3.157   1.829   3.134
  179   2HB   GLN  21          2HB       GLN  21  -2.086   2.447   4.384
  180   1HG   GLN  21          1HG       GLN  21  -1.165   4.061   2.958
  181   2HG   GLN  21          2HG       GLN  21  -1.811   3.276   1.517
  182   2HE2  GLN  21          2HE2      GLN  21  -3.557   3.845   4.505
  183   1HE2  GLN  21          1HE2      GLN  21  -4.693   4.968   3.849
  184    H    LYS  22           H        LYS  22  -1.170  -0.502   4.882
  185    HA   LYS  22           HA       LYS  22   0.846   0.763   6.494
  186   1HB   LYS  22          1HB       LYS  22  -1.163  -1.273   6.846
  187   2HB   LYS  22          2HB       LYS  22   0.384  -1.850   7.450
  188   1HG   LYS  22          1HG       LYS  22  -0.212  -0.810   9.335
  189   2HG   LYS  22          2HG       LYS  22   0.311   0.652   8.498
  190   1HD   LYS  22          1HD       LYS  22  -2.464  -0.226   7.989
  191   2HD   LYS  22          2HD       LYS  22  -2.118   0.373   9.613
  192   1HE   LYS  22          1HE       LYS  22  -1.183   1.926   7.242
  193   2HE   LYS  22          2HE       LYS  22  -2.877   2.016   7.721
  194   1HZ   LYS  22          1HZ       LYS  22  -1.136   2.319   9.956
  195   2HZ   LYS  22          2HZ       LYS  22  -0.806   3.475   8.764
  196   3HZ   LYS  22          3HZ       LYS  22  -2.364   3.344   9.407
  197    H    GLU  23           H        GLU  23   0.654  -1.901   4.244
  198    HA   GLU  23           HA       GLU  23   3.188  -3.040   4.893
  199   1HB   GLU  23          1HB       GLU  23   1.616  -3.277   2.320
  200   2HB   GLU  23          2HB       GLU  23   2.916  -4.336   2.848
  201   1HG   GLU  23          1HG       GLU  23   0.658  -4.069   4.713
  202   2HG   GLU  23          2HG       GLU  23   0.301  -4.867   3.182
  203    H    ILE  24           H        ILE  24   2.060  -0.836   2.345
  204    HA   ILE  24           HA       ILE  24   4.552  -0.544   1.057
  205    HB   ILE  24           HB       ILE  24   2.705   0.166  -0.205
  206   1HG1  ILE  24          1HG1      ILE  24   3.204   2.337  -0.916
  207   2HG1  ILE  24          2HG1      ILE  24   3.620   2.880   0.702
  208   1HG2  ILE  24          1HG2      ILE  24   1.679   1.031   2.293
  209   2HG2  ILE  24          2HG2      ILE  24   1.566   2.362   1.145
  210   3HG2  ILE  24          3HG2      ILE  24   0.836   0.804   0.762
  211   1HD1  ILE  24          1HD1      ILE  24   5.388   0.788  -0.136
  212   2HD1  ILE  24          2HD1      ILE  24   5.341   2.088  -1.327
  213   3HD1  ILE  24          3HD1      ILE  24   5.747   2.445   0.350
  214    H    GLU  25           H        GLU  25   3.073   1.109   3.793
  215    HA   GLU  25           HA       GLU  25   4.914   3.224   4.019
  216   1HB   GLU  25          1HB       GLU  25   2.693   3.012   5.196
  217   2HB   GLU  25          2HB       GLU  25   3.465   1.882   6.301
  218   1HG   GLU  25          1HG       GLU  25   4.688   3.508   7.334
  219   2HG   GLU  25          2HG       GLU  25   4.721   4.544   5.908
  220    H    ARG  26           H        ARG  26   4.868   0.014   5.568
  221    HA   ARG  26           HA       ARG  26   7.221   0.389   7.080
  222   1HB   ARG  26          1HB       ARG  26   5.625  -1.365   7.617
  223   2HB   ARG  26          2HB       ARG  26   5.935  -2.154   6.076
  224   1HG   ARG  26          1HG       ARG  26   7.270  -3.429   7.380
  225   2HG   ARG  26          2HG       ARG  26   8.421  -2.141   7.019
  226   1HD   ARG  26          1HD       ARG  26   8.425  -1.379   9.135
  227   2HD   ARG  26          2HD       ARG  26   6.692  -1.632   9.334
  228    HE   ARG  26           HE       ARG  26   8.213  -4.068   9.295
  229   1HH1  ARG  26          1HH1      ARG  26   7.043  -1.457  11.280
  230   2HH1  ARG  26          2HH1      ARG  26   7.105  -2.373  12.748
  231   1HH2  ARG  26          1HH2      ARG  26   8.298  -5.285  11.223
  232   2HH2  ARG  26          2HH2      ARG  26   7.818  -4.549  12.716
  233    H    HIS  27           H        HIS  27   6.681  -0.803   3.810
  234    HA   HIS  27           HA       HIS  27   9.370  -1.676   3.429
  235   1HB   HIS  27          1HB       HIS  27   6.903  -1.810   2.000
  236   2HB   HIS  27          2HB       HIS  27   8.120  -1.127   0.932
  237    HD1  HIS  27           HD1      HIS  27  10.322  -2.634   0.601
  238    HD2  HIS  27           HD2      HIS  27   7.052  -4.514   2.342
  239    HE1  HIS  27           HE1      HIS  27  10.782  -5.099   0.406
  240    HE2  HIS  27           HE2      HIS  27   8.790  -6.219   1.466
  241    H    LYS  28           H        LYS  28   7.718   1.341   3.221
  242    HA   LYS  28           HA       LYS  28   9.587   2.604   1.453
  243   1HB   LYS  28          1HB       LYS  28   7.211   3.343   1.740
  244   2HB   LYS  28          2HB       LYS  28   7.629   3.902   3.354
  245   1HG   LYS  28          1HG       LYS  28   9.525   5.109   1.773
  246   2HG   LYS  28          2HG       LYS  28   8.073   5.153   0.770
  247   1HD   LYS  28          1HD       LYS  28   7.969   5.974   3.650
  248   2HD   LYS  28          2HD       LYS  28   8.524   7.103   2.412
  249   1HE   LYS  28          1HE       LYS  28   6.445   6.992   1.264
  250   2HE   LYS  28          2HE       LYS  28   5.904   5.632   2.245
  251   1HZ   LYS  28          1HZ       LYS  28   6.573   7.825   3.900
  252   2HZ   LYS  28          2HZ       LYS  28   5.468   8.321   2.718
  253   3HZ   LYS  28          3HZ       LYS  28   5.090   7.027   3.741
  254    H    GLN  29           H        GLN  29   9.226   2.198   4.903
  255    HA   GLN  29           HA       GLN  29  11.184   4.142   5.637
  256   1HB   GLN  29          1HB       GLN  29   9.499   3.488   7.242
  257   2HB   GLN  29          2HB       GLN  29  10.005   1.807   7.150
  258   1HG   GLN  29          1HG       GLN  29  12.311   3.162   7.855
  259   2HG   GLN  29          2HG       GLN  29  11.036   3.969   8.769
  260   2HE2  GLN  29          2HE2      GLN  29   9.797   2.750  10.239
  261   1HE2  GLN  29          1HE2      GLN  29  10.381   1.258  10.884
  262    H    SER  30           H        SER  30  11.214   0.650   5.091
  263    HA   SER  30           HA       SER  30  13.916   0.274   5.907
  264   1HB   SER  30          1HB       SER  30  13.707  -1.947   4.920
  265   2HB   SER  30          2HB       SER  30  12.250  -1.560   5.836
  266    HG   SER  30           HG       SER  30  12.192  -2.437   3.493
  267    H    ILE  31           H        ILE  31  12.364   0.823   2.775
  268    HA   ILE  31           HA       ILE  31  14.778   0.533   1.262
  269    HB   ILE  31           HB       ILE  31  12.615   0.117   0.229
  270   1HG1  ILE  31          1HG1      ILE  31  12.826   1.695  -1.763
  271   2HG1  ILE  31          2HG1      ILE  31  14.158   2.459  -0.897
  272   1HG2  ILE  31          1HG2      ILE  31  11.758   2.286   1.635
  273   2HG2  ILE  31          2HG2      ILE  31  11.856   2.940   0.002
  274   3HG2  ILE  31          3HG2      ILE  31  10.868   1.523   0.325
  275   1HD1  ILE  31          1HD1      ILE  31  15.131   0.074  -0.782
  276   2HD1  ILE  31          2HD1      ILE  31  13.983  -0.275  -2.076
  277   3HD1  ILE  31          3HD1      ILE  31  15.216   0.967  -2.302
  278    H    LYS  32           H        LYS  32  13.223   3.114   2.967
  279    HA   LYS  32           HA       LYS  32  14.636   5.228   1.618
  280   1HB   LYS  32          1HB       LYS  32  12.450   5.685   2.574
  281   2HB   LYS  32          2HB       LYS  32  13.013   5.205   4.169
  282   1HG   LYS  32          1HG       LYS  32  14.304   7.122   4.428
  283   2HG   LYS  32          2HG       LYS  32  14.311   7.464   2.697
  284   1HD   LYS  32          1HD       LYS  32  12.798   9.022   3.486
  285   2HD   LYS  32          2HD       LYS  32  11.737   7.696   3.008
  286   1HE   LYS  32          1HE       LYS  32  11.301   7.083   5.190
  287   2HE   LYS  32          2HE       LYS  32  12.787   7.809   5.800
  288   1HZ   LYS  32          1HZ       LYS  32  11.123   9.791   4.656
  289   2HZ   LYS  32          2HZ       LYS  32  10.254   8.915   5.812
  290   3HZ   LYS  32          3HZ       LYS  32  11.704   9.675   6.240
  291    H    LYS  33           H        LYS  33  15.069   3.265   4.475
  292    HA   LYS  33           HA       LYS  33  17.154   4.869   5.604
  293   1HB   LYS  33          1HB       LYS  33  15.950   2.203   6.178
  294   2HB   LYS  33          2HB       LYS  33  17.553   2.535   6.822
  295   1HG   LYS  33          1HG       LYS  33  16.390   4.752   7.644
  296   2HG   LYS  33          2HG       LYS  33  14.936   3.759   7.509
  297   1HD   LYS  33          1HD       LYS  33  15.730   2.199   9.082
  298   2HD   LYS  33          2HD       LYS  33  17.381   2.816   8.981
  299   1HE   LYS  33          1HE       LYS  33  16.042   5.037   9.771
  300   2HE   LYS  33          2HE       LYS  33  15.088   3.778  10.552
  301   1HZ   LYS  33          1HZ       LYS  33  17.163   2.918  11.520
  302   2HZ   LYS  33          2HZ       LYS  33  18.011   4.214  10.841
  303   3HZ   LYS  33          3HZ       LYS  33  16.828   4.498  12.016
  304    H    LEU  34           H        LEU  34  16.990   2.073   3.482
  305    HA   LEU  34           HA       LEU  34  19.797   1.547   3.509
  306   1HB   LEU  34          1HB       LEU  34  17.421   0.489   2.170
  307   2HB   LEU  34          2HB       LEU  34  18.852   0.468   1.159
  308    HG   LEU  34           HG       LEU  34  18.974  -0.655   3.933
  309   1HD1  LEU  34          1HD1      LEU  34  17.841  -1.996   1.489
  310   2HD1  LEU  34          2HD1      LEU  34  18.446  -2.879   2.891
  311   3HD1  LEU  34          3HD1      LEU  34  17.076  -1.782   3.063
  312   1HD2  LEU  34          1HD2      LEU  34  20.756  -0.386   1.767
  313   2HD2  LEU  34          2HD2      LEU  34  21.019  -1.228   3.295
  314   3HD2  LEU  34          3HD2      LEU  34  20.374  -2.102   1.905
  315    H    LYS  35           H        LYS  35  17.619   3.395   1.446
  316    HA   LYS  35           HA       LYS  35  19.595   3.989  -0.533
  317   1HB   LYS  35          1HB       LYS  35  17.129   3.997  -0.953
  318   2HB   LYS  35          2HB       LYS  35  17.010   5.451   0.029
  319   1HG   LYS  35          1HG       LYS  35  18.959   6.118  -1.774
  320   2HG   LYS  35          2HG       LYS  35  17.867   5.119  -2.736
  321   1HD   LYS  35          1HD       LYS  35  17.010   7.467  -1.048
  322   2HD   LYS  35          2HD       LYS  35  17.300   7.535  -2.787
  323   1HE   LYS  35          1HE       LYS  35  15.378   5.556  -1.614
  324   2HE   LYS  35          2HE       LYS  35  14.882   7.216  -1.939
  325   1HZ   LYS  35          1HZ       LYS  35  16.220   5.712  -4.071
  326   2HZ   LYS  35          2HZ       LYS  35  14.602   5.357  -3.732
  327   3HZ   LYS  35          3HZ       LYS  35  15.049   6.926  -4.183
  328    H    GLN  36           H        GLN  36  18.524   5.461   2.441
  329    HA   GLN  36           HA       GLN  36  19.796   7.985   1.993
  330   1HB   GLN  36          1HB       GLN  36  17.903   7.796   3.521
  331   2HB   GLN  36          2HB       GLN  36  18.812   6.691   4.542
  332   1HG   GLN  36          1HG       GLN  36  20.506   8.670   4.682
  333   2HG   GLN  36          2HG       GLN  36  19.109   9.633   4.202
  334   2HE2  GLN  36          2HE2      GLN  36  18.909  10.709   6.123
  335   1HE2  GLN  36          1HE2      GLN  36  18.419   9.944   7.592
  336    H    SER  37           H        SER  37  20.728   4.924   3.390
  337    HA   SER  37           HA       SER  37  23.069   5.849   4.713
  338   1HB   SER  37          1HB       SER  37  21.662   3.471   4.646
  339   2HB   SER  37          2HB       SER  37  23.163   3.067   3.811
  340    HG   SER  37           HG       SER  37  23.590   2.758   5.934
  341    H    GLU  38           H        GLU  38  22.325   4.941   1.449
  342    HA   GLU  38           HA       GLU  38  24.969   4.429   0.563
  343   1HB   GLU  38          1HB       GLU  38  23.098   3.636  -0.733
  344   2HB   GLU  38          2HB       GLU  38  22.485   5.272  -0.934
  345   1HG   GLU  38          1HG       GLU  38  24.678   5.765  -2.136
  346   2HG   GLU  38          2HG       GLU  38  24.902   4.016  -2.184
  347    H    ASP  39           H        ASP  39  23.092   7.333   1.002
  348    HA   ASP  39           HA       ASP  39  24.925   8.997  -0.485
  349   1HB   ASP  39          1HB       ASP  39  22.314   9.312   0.794
  350   2HB   ASP  39          2HB       ASP  39  23.371  10.700   1.040
  351    H    ASP  40           H        ASP  40  24.514   7.925   2.779
  352    HA   ASP  40           HA       ASP  40  25.839   8.149   4.619
  353   1HB   ASP  40          1HB       ASP  40  27.587   8.665   2.452
  354   2HB   ASP  40          2HB       ASP  40  27.916   9.891   3.674
  355    H    ASP  41           H        ASP  41  25.697   9.485   6.336
  356    HA   ASP  41           HA       ASP  41  25.460  12.366   5.895
  357   1HB   ASP  41          1HB       ASP  41  23.403  10.677   7.330
  358   2HB   ASP  41          2HB       ASP  41  23.476  12.434   7.434
  359    H1   ALA   1           H1       ALA   1  32.850   6.447  -2.916
  360    H2   ALA   1           H2       ALA   1  32.286   7.423  -4.210
  361    H3   ALA   1           H3       ALA   1  32.114   7.959  -2.589
  362    HA   ALA   1           HA       ALA   1  30.526   6.394  -2.103
  363   1HB   ALA   1          1HB       ALA   1  28.779   6.879  -3.692
  364   2HB   ALA   1          2HB       ALA   1  29.773   8.317  -3.462
  365   3HB   ALA   1          3HB       ALA   1  29.968   7.334  -4.913
  366    H    LEU   2           H        LEU   2  31.013   4.263  -1.923
  367    HA   LEU   2           HA       LEU   2  30.705   2.648  -4.357
  368   1HB   LEU   2          1HB       LEU   2  32.678   1.917  -2.211
  369   2HB   LEU   2          2HB       LEU   2  32.530   1.248  -3.826
  370    HG   LEU   2           HG       LEU   2  33.138   4.127  -3.742
  371   1HD1  LEU   2          1HD1      LEU   2  34.423   3.094  -1.798
  372   2HD1  LEU   2          2HD1      LEU   2  35.331   2.209  -3.023
  373   3HD1  LEU   2          3HD1      LEU   2  35.357   3.972  -3.009
  374   1HD2  LEU   2          1HD2      LEU   2  33.486   1.841  -5.456
  375   2HD2  LEU   2          2HD2      LEU   2  33.602   3.558  -5.838
  376   3HD2  LEU   2          3HD2      LEU   2  35.014   2.693  -5.232
  377    H    LYS   3           H        LYS   3  28.581   2.175  -3.731
  378    HA   LYS   3           HA       LYS   3  28.256   0.677  -1.228
  379   1HB   LYS   3          1HB       LYS   3  26.600   2.544  -2.679
  380   2HB   LYS   3          2HB       LYS   3  25.745   1.027  -2.437
  381   1HG   LYS   3          1HG       LYS   3  25.281   2.574  -0.634
  382   2HG   LYS   3          2HG       LYS   3  26.167   1.171  -0.034
  383   1HD   LYS   3          1HD       LYS   3  27.888   3.373  -0.890
  384   2HD   LYS   3          2HD       LYS   3  26.816   3.790   0.449
  385   1HE   LYS   3          1HE       LYS   3  27.680   1.395   1.295
  386   2HE   LYS   3          2HE       LYS   3  29.078   1.887   0.338
  387   1HZ   LYS   3          1HZ       LYS   3  27.936   3.816   2.225
  388   2HZ   LYS   3          2HZ       LYS   3  28.857   2.541   2.848
  389   3HZ   LYS   3          3HZ       LYS   3  29.541   3.612   1.732
  390    H    LYS   4           H        LYS   4  26.433   0.474  -4.255
  391    HA   LYS   4           HA       LYS   4  26.075  -1.240  -5.719
  392   1HB   LYS   4          1HB       LYS   4  28.618  -1.886  -4.641
  393   2HB   LYS   4          2HB       LYS   4  27.670  -3.367  -4.655
  394   1HG   LYS   4          1HG       LYS   4  28.176  -3.596  -6.795
  395   2HG   LYS   4          2HG       LYS   4  27.206  -2.160  -7.132
  396   1HD   LYS   4          1HD       LYS   4  29.882  -1.565  -6.113
  397   2HD   LYS   4          2HD       LYS   4  29.883  -2.429  -7.651
  398   1HE   LYS   4          1HE       LYS   4  28.262  -0.723  -8.508
  399   2HE   LYS   4          2HE       LYS   4  28.515   0.179  -7.015
  400   1HZ   LYS   4          1HZ       LYS   4  31.034  -0.281  -7.894
  401   2HZ   LYS   4          2HZ       LYS   4  30.192  -0.020  -9.338
  402   3HZ   LYS   4          3HZ       LYS   4  30.168   1.155  -8.121
  403    H    HIS   5           H        HIS   5  26.898  -3.212  -2.878
  404    HA   HIS   5           HA       HIS   5  24.771  -4.927  -2.979
  405   1HB   HIS   5          1HB       HIS   5  25.192  -5.460  -0.678
  406   2HB   HIS   5          2HB       HIS   5  26.738  -5.079  -1.427
  407    HD1  HIS   5           HD1      HIS   5  25.693  -4.790   1.690
  408    HD2  HIS   5           HD2      HIS   5  26.595  -1.798  -1.049
  409    HE1  HIS   5           HE1      HIS   5  26.233  -2.757   3.069
  410    HE2  HIS   5           HE2      HIS   5  26.776  -0.958   1.391
  411    H    HIS   6           H        HIS   6  24.818  -1.643  -1.834
  412    HA   HIS   6           HA       HIS   6  22.349  -1.706  -0.432
  413   1HB   HIS   6          1HB       HIS   6  24.190   0.411  -1.433
  414   2HB   HIS   6          2HB       HIS   6  22.532   0.886  -1.076
  415    HD1  HIS   6           HD1      HIS   6  24.116  -1.740   1.035
  416    HD2  HIS   6           HD2      HIS   6  23.426   2.356   1.160
  417    HE1  HIS   6           HE1      HIS   6  24.587  -1.051   3.407
  418    HE2  HIS   6           HE2      HIS   6  24.164   1.432   3.461
  419    H    GLU   7           H        GLU   7  23.227  -0.636  -3.715
  420    HA   GLU   7           HA       GLU   7  20.667   0.112  -4.539
  421   1HB   GLU   7          1HB       GLU   7  21.500   0.025  -6.777
  422   2HB   GLU   7          2HB       GLU   7  22.817   0.577  -5.752
  423   1HG   GLU   7          1HG       GLU   7  24.106  -1.123  -6.351
  424   2HG   GLU   7          2HG       GLU   7  22.833  -2.296  -6.017
  425    H    ASN   8           H        ASN   8  22.057  -3.006  -4.030
  426    HA   ASN   8           HA       ASN   8  20.300  -4.487  -5.718
  427   1HB   ASN   8          1HB       ASN   8  22.531  -5.046  -4.044
  428   2HB   ASN   8          2HB       ASN   8  21.205  -6.081  -3.520
  429   2HD2  ASN   8          2HD2      ASN   8  23.525  -5.432  -5.952
  430   1HD2  ASN   8          1HD2      ASN   8  23.149  -6.766  -6.983
  431    H    GLU   9           H        GLU   9  20.448  -4.185  -2.156
  432    HA   GLU   9           HA       GLU   9  17.840  -5.310  -1.813
  433   1HB   GLU   9          1HB       GLU   9  19.506  -3.693   0.127
  434   2HB   GLU   9          2HB       GLU   9  18.097  -4.662   0.539
  435   1HG   GLU   9          1HG       GLU   9  19.336  -6.480   0.745
  436   2HG   GLU   9          2HG       GLU   9  20.003  -6.267  -0.873
  437    H    ILE  10           H        ILE  10  18.862  -2.319  -2.896
  438    HA   ILE  10           HA       ILE  10  16.656  -0.799  -1.784
  439    HB   ILE  10           HB       ILE  10  19.058  -0.105  -3.466
  440   1HG1  ILE  10          1HG1      ILE  10  18.137   1.121  -0.875
  441   2HG1  ILE  10          2HG1      ILE  10  19.115  -0.343  -0.924
  442   1HG2  ILE  10          1HG2      ILE  10  17.113   1.163  -4.348
  443   2HG2  ILE  10          2HG2      ILE  10  16.889   1.855  -2.740
  444   3HG2  ILE  10          3HG2      ILE  10  18.370   2.179  -3.642
  445   1HD1  ILE  10          1HD1      ILE  10  20.717   1.071  -2.377
  446   2HD1  ILE  10          2HD1      ILE  10  19.846   2.444  -1.695
  447   3HD1  ILE  10          3HD1      ILE  10  20.685   1.316  -0.631
  448    H    SER  11           H        SER  11  17.642  -2.396  -4.719
  449    HA   SER  11           HA       SER  11  15.581  -1.194  -6.340
  450   1HB   SER  11          1HB       SER  11  16.287  -3.057  -7.963
  451   2HB   SER  11          2HB       SER  11  17.509  -1.853  -7.556
  452    HG   SER  11           HG       SER  11  18.478  -3.821  -7.336
  453    H    HIS  12           H        HIS  12  16.039  -4.043  -4.393
  454    HA   HIS  12           HA       HIS  12  13.686  -5.378  -5.345
  455   1HB   HIS  12          1HB       HIS  12  14.974  -7.040  -4.512
  456   2HB   HIS  12          2HB       HIS  12  15.891  -5.940  -3.497
  457    HD1  HIS  12           HD1      HIS  12  13.058  -8.350  -3.429
  458    HD2  HIS  12           HD2      HIS  12  14.928  -5.673  -0.861
  459    HE1  HIS  12           HE1      HIS  12  12.215  -8.926  -1.130
  460    HE2  HIS  12           HE2      HIS  12  13.360  -7.294   0.411
  461    H    HIS  13           H        HIS  13  14.558  -3.600  -2.355
  462    HA   HIS  13           HA       HIS  13  11.974  -3.776  -1.216
  463   1HB   HIS  13          1HB       HIS  13  14.161  -1.739  -0.807
  464   2HB   HIS  13          2HB       HIS  13  12.698  -1.821   0.162
  465    HD1  HIS  13           HD1      HIS  13  12.826  -5.058   0.295
  466    HD2  HIS  13           HD2      HIS  13  15.771  -2.325   1.317
  467    HE1  HIS  13           HE1      HIS  13  14.314  -6.264   1.930
  468    HE2  HIS  13           HE2      HIS  13  16.099  -4.590   2.539
  469    H    ALA  14           H        ALA  14  13.393  -1.721  -3.629
  470    HA   ALA  14           HA       ALA  14  11.548   0.415  -3.504
  471   1HB   ALA  14          1HB       ALA  14  13.466  -0.581  -5.567
  472   2HB   ALA  14          2HB       ALA  14  13.455   0.948  -4.689
  473   3HB   ALA  14          3HB       ALA  14  12.296   0.670  -5.989
  474    H    LYS  15           H        LYS  15  11.673  -2.459  -5.621
  475    HA   LYS  15           HA       LYS  15   9.244  -1.890  -6.954
  476   1HB   LYS  15          1HB       LYS  15   9.314  -4.359  -7.530
  477   2HB   LYS  15          2HB       LYS  15  10.724  -3.421  -8.003
  478   1HG   LYS  15          1HG       LYS  15  12.012  -4.297  -6.210
  479   2HG   LYS  15          2HG       LYS  15  10.590  -5.040  -5.473
  480   1HD   LYS  15          1HD       LYS  15  11.900  -5.800  -8.081
  481   2HD   LYS  15          2HD       LYS  15  11.862  -6.746  -6.592
  482   1HE   LYS  15          1HE       LYS  15  10.157  -7.759  -7.713
  483   2HE   LYS  15          2HE       LYS  15   9.250  -6.473  -6.918
  484   1HZ   LYS  15          1HZ       LYS  15  10.295  -5.567  -9.389
  485   2HZ   LYS  15          2HZ       LYS  15   9.399  -6.981  -9.627
  486   3HZ   LYS  15          3HZ       LYS  15   8.686  -5.643  -8.877
  487    H    GLU  16           H        GLU  16  10.001  -3.381  -3.920
  488    HA   GLU  16           HA       GLU  16   7.521  -4.707  -3.517
  489   1HB   GLU  16          1HB       GLU  16   9.864  -3.994  -1.823
  490   2HB   GLU  16          2HB       GLU  16   8.361  -4.410  -1.013
  491   1HG   GLU  16          1HG       GLU  16   9.995  -6.289  -1.366
  492   2HG   GLU  16          2HG       GLU  16   8.347  -6.577  -1.922
  493    H    ILE  17           H        ILE  17   8.754  -1.501  -2.601
  494    HA   ILE  17           HA       ILE  17   6.501  -0.821  -1.024
  495    HB   ILE  17           HB       ILE  17   7.417   1.301  -0.792
  496   1HG1  ILE  17          1HG1      ILE  17   9.368   1.884  -2.585
  497   2HG1  ILE  17          2HG1      ILE  17   8.272   0.961  -3.606
  498   1HG2  ILE  17          1HG2      ILE  17   9.133  -0.904  -0.716
  499   2HG2  ILE  17          2HG2      ILE  17  10.066   0.443  -1.365
  500   3HG2  ILE  17          3HG2      ILE  17   9.243   0.601   0.183
  501   1HD1  ILE  17          1HD1      ILE  17   7.218   3.178  -1.915
  502   2HD1  ILE  17          2HD1      ILE  17   8.026   3.528  -3.443
  503   3HD1  ILE  17          3HD1      ILE  17   6.583   2.514  -3.420
  504    H    GLU  18           H        GLU  18   7.254  -0.473  -4.435
  505    HA   GLU  18           HA       GLU  18   5.046   1.222  -5.051
  506   1HB   GLU  18          1HB       GLU  18   6.839  -0.521  -6.735
  507   2HB   GLU  18          2HB       GLU  18   5.521   0.414  -7.427
  508   1HG   GLU  18          1HG       GLU  18   7.650   1.692  -5.752
  509   2HG   GLU  18          2HG       GLU  18   7.859   1.423  -7.482
  510    H    ARG  19           H        ARG  19   5.501  -2.215  -4.749
  511    HA   ARG  19           HA       ARG  19   3.154  -3.010  -6.144
  512   1HB   ARG  19          1HB       ARG  19   5.344  -4.299  -5.033
  513   2HB   ARG  19          2HB       ARG  19   3.999  -4.833  -4.033
  514   1HG   ARG  19          1HG       ARG  19   4.115  -6.427  -5.717
  515   2HG   ARG  19          2HG       ARG  19   2.813  -5.357  -6.242
  516   1HD   ARG  19          1HD       ARG  19   3.925  -4.741  -8.078
  517   2HD   ARG  19          2HD       ARG  19   5.423  -4.489  -7.183
  518    HE   ARG  19           HE       ARG  19   5.197  -7.198  -7.360
  519   1HH1  ARG  19          1HH1      ARG  19   5.205  -4.583  -9.660
  520   2HH1  ARG  19          2HH1      ARG  19   5.904  -5.530 -10.931
  521   1HH2  ARG  19          1HH2      ARG  19   6.119  -8.455  -9.027
  522   2HH2  ARG  19          2HH2      ARG  19   6.423  -7.731 -10.571
  523    H    LEU  20           H        LEU  20   3.862  -2.398  -2.716
  524    HA   LEU  20           HA       LEU  20   1.283  -3.187  -1.806
  525   1HB   LEU  20          1HB       LEU  20   3.561  -1.663  -0.585
  526   2HB   LEU  20          2HB       LEU  20   2.026  -1.799   0.251
  527    HG   LEU  20           HG       LEU  20   3.399  -3.504   1.134
  528   1HD1  LEU  20          1HD1      LEU  20   1.066  -4.153   0.491
  529   2HD1  LEU  20          2HD1      LEU  20   1.743  -4.890  -0.962
  530   3HD1  LEU  20          3HD1      LEU  20   2.201  -5.496   0.630
  531   1HD2  LEU  20          1HD2      LEU  20   4.111  -4.094  -1.727
  532   2HD2  LEU  20          2HD2      LEU  20   5.181  -3.613  -0.411
  533   3HD2  LEU  20          3HD2      LEU  20   4.445  -5.217  -0.408
  534    H    GLN  21           H        GLN  21   2.676  -0.196  -2.949
  535    HA   GLN  21           HA       GLN  21   0.552   1.482  -2.028
  536   1HB   GLN  21          1HB       GLN  21   3.080   1.897  -3.088
  537   2HB   GLN  21          2HB       GLN  21   2.009   2.465  -4.360
  538   1HG   GLN  21          1HG       GLN  21   1.073   4.112  -3.004
  539   2HG   GLN  21          2HG       GLN  21   1.654   3.351  -1.524
  540   2HE2  GLN  21          2HE2      GLN  21   3.515   3.878  -4.451
  541   1HE2  GLN  21          1HE2      GLN  21   4.633   5.003  -3.764
  542    H    LYS  22           H        LYS  22   1.196  -0.370  -4.921
  543    HA   LYS  22           HA       LYS  22  -0.878   0.819  -6.490
  544   1HB   LYS  22          1HB       LYS  22   1.173  -1.174  -6.849
  545   2HB   LYS  22          2HB       LYS  22  -0.361  -1.777  -7.461
  546   1HG   LYS  22          1HG       LYS  22   0.181  -0.703  -9.336
  547   2HG   LYS  22          2HG       LYS  22  -0.303   0.758  -8.473
  548   1HD   LYS  22          1HD       LYS  22   2.463  -0.167  -8.015
  549   2HD   LYS  22          2HD       LYS  22   2.105   0.439  -9.634
  550   1HE   LYS  22          1HE       LYS  22   1.236   2.001  -7.242
  551   2HE   LYS  22          2HE       LYS  22   2.918   2.073  -7.764
  552   1HZ   LYS  22          1HZ       LYS  22   1.146   2.395  -9.963
  553   2HZ   LYS  22          2HZ       LYS  22   0.820   3.540  -8.760
  554   3HZ   LYS  22          3HZ       LYS  22   2.374   3.424  -9.418
  555    H    GLU  23           H        GLU  23  -0.641  -1.854  -4.258
  556    HA   GLU  23           HA       GLU  23  -3.126  -3.063  -4.946
  557   1HB   GLU  23          1HB       GLU  23  -1.539  -3.267  -2.380
  558   2HB   GLU  23          2HB       GLU  23  -2.851  -4.333  -2.863
  559   1HG   GLU  23          1HG       GLU  23  -0.632  -4.082  -4.780
  560   2HG   GLU  23          2HG       GLU  23  -0.250  -4.874  -3.251
  561    H    ILE  24           H        ILE  24  -2.129  -0.818  -2.362
  562    HA   ILE  24           HA       ILE  24  -4.708  -0.685  -1.185
  563    HB   ILE  24           HB       ILE  24  -2.677  -0.025   0.036
  564   1HG1  ILE  24          1HG1      ILE  24  -5.005   0.832   0.581
  565   2HG1  ILE  24          2HG1      ILE  24  -3.659   1.734   1.262
  566   1HG2  ILE  24          1HG2      ILE  24  -2.199   1.560  -2.236
  567   2HG2  ILE  24          2HG2      ILE  24  -2.366   2.644  -0.854
  568   3HG2  ILE  24          3HG2      ILE  24  -1.184   1.336  -0.812
  569   1HD1  ILE  24          1HD1      ILE  24  -4.204   2.955  -1.179
  570   2HD1  ILE  24          2HD1      ILE  24  -5.775   2.605  -0.458
  571   3HD1  ILE  24          3HD1      ILE  24  -4.588   3.555   0.436
  572    H    GLU  25           H        GLU  25  -3.166   0.986  -3.829
  573    HA   GLU  25           HA       GLU  25  -4.951   3.168  -4.014
  574   1HB   GLU  25          1HB       GLU  25  -2.715   2.981  -5.157
  575   2HB   GLU  25          2HB       GLU  25  -3.455   1.857  -6.289
  576   1HG   GLU  25          1HG       GLU  25  -4.675   3.485  -7.329
  577   2HG   GLU  25          2HG       GLU  25  -4.719   4.519  -5.902
  578    H    ARG  26           H        ARG  26  -4.924  -0.049  -5.503
  579    HA   ARG  26           HA       ARG  26  -7.254   0.354  -7.075
  580   1HB   ARG  26          1HB       ARG  26  -5.651  -1.399  -7.611
  581   2HB   ARG  26          2HB       ARG  26  -5.970  -2.195  -6.076
  582   1HG   ARG  26          1HG       ARG  26  -7.297  -3.461  -7.401
  583   2HG   ARG  26          2HG       ARG  26  -8.450  -2.179  -7.027
  584   1HD   ARG  26          1HD       ARG  26  -8.454  -1.397  -9.136
  585   2HD   ARG  26          2HD       ARG  26  -6.719  -1.640  -9.334
  586    HE   ARG  26           HE       ARG  26  -8.236  -4.082  -9.324
  587   1HH1  ARG  26          1HH1      ARG  26  -7.051  -1.453 -11.276
  588   2HH1  ARG  26          2HH1      ARG  26  -7.100  -2.355 -12.753
  589   1HH2  ARG  26          1HH2      ARG  26  -8.305  -5.280 -11.263
  590   2HH2  ARG  26          2HH2      ARG  26  -7.814  -4.532 -12.746
  591    H    HIS  27           H        HIS  27  -6.690  -0.827  -3.806
  592    HA   HIS  27           HA       HIS  27  -9.383  -1.695  -3.400
  593   1HB   HIS  27          1HB       HIS  27  -6.903  -1.828  -1.987
  594   2HB   HIS  27          2HB       HIS  27  -8.120  -1.148  -0.914
  595    HD1  HIS  27           HD1      HIS  27 -10.327  -2.660  -0.596
  596    HD2  HIS  27           HD2      HIS  27  -7.040  -4.532  -2.316
  597    HE1  HIS  27           HE1      HIS  27 -10.781  -5.126  -0.403
  598    HE2  HIS  27           HE2      HIS  27  -8.778  -6.241  -1.449
  599    H    LYS  28           H        LYS  28  -7.745   1.323  -3.273
  600    HA   LYS  28           HA       LYS  28  -9.580   2.596  -1.470
  601   1HB   LYS  28          1HB       LYS  28  -7.196   3.316  -1.782
  602   2HB   LYS  28          2HB       LYS  28  -7.635   3.890  -3.385
  603   1HG   LYS  28          1HG       LYS  28  -9.503   5.092  -1.765
  604   2HG   LYS  28          2HG       LYS  28  -8.036   5.123  -0.785
  605   1HD   LYS  28          1HD       LYS  28  -7.948   5.956  -3.658
  606   2HD   LYS  28          2HD       LYS  28  -8.522   7.080  -2.424
  607   1HE   LYS  28          1HE       LYS  28  -6.447   6.993  -1.264
  608   2HE   LYS  28          2HE       LYS  28  -5.886   5.639  -2.243
  609   1HZ   LYS  28          1HZ       LYS  28  -6.573   7.832  -3.895
  610   2HZ   LYS  28          2HZ       LYS  28  -5.468   8.328  -2.713
  611   3HZ   LYS  28          3HZ       LYS  28  -5.087   7.039  -3.741
  612    H    GLN  29           H        GLN  29  -9.215   2.218  -4.927
  613    HA   GLN  29           HA       GLN  29 -11.177   4.158  -5.651
  614   1HB   GLN  29          1HB       GLN  29  -9.503   3.501  -7.265
  615   2HB   GLN  29          2HB       GLN  29 -10.007   1.819  -7.167
  616   1HG   GLN  29          1HG       GLN  29 -12.317   3.170  -7.865
  617   2HG   GLN  29          2HG       GLN  29 -11.049   3.980  -8.783
  618   2HE2  GLN  29          2HE2      GLN  29  -9.797   2.758 -10.246
  619   1HE2  GLN  29          1HE2      GLN  29 -10.383   1.269 -10.896
  620    H    SER  30           H        SER  30 -11.210   0.666  -5.106
  621    HA   SER  30           HA       SER  30 -13.913   0.284  -5.906
  622   1HB   SER  30          1HB       SER  30 -13.705  -1.926  -4.902
  623   2HB   SER  30          2HB       SER  30 -12.240  -1.549  -5.810
  624    HG   SER  30           HG       SER  30 -12.176  -2.413  -3.478
  625    H    ILE  31           H        ILE  31 -12.348   0.772  -2.763
  626    HA   ILE  31           HA       ILE  31 -14.756   0.545  -1.248
  627    HB   ILE  31           HB       ILE  31 -12.591   0.123  -0.219
  628   1HG1  ILE  31          1HG1      ILE  31 -12.815   1.691   1.778
  629   2HG1  ILE  31          2HG1      ILE  31 -14.139   2.461   0.906
  630   1HG2  ILE  31          1HG2      ILE  31 -11.525   2.054  -1.610
  631   2HG2  ILE  31          2HG2      ILE  31 -11.971   3.050  -0.232
  632   3HG2  ILE  31          3HG2      ILE  31 -10.888   1.680  -0.013
  633   1HD1  ILE  31          1HD1      ILE  31 -15.114   0.079   0.771
  634   2HD1  ILE  31          2HD1      ILE  31 -13.978  -0.277   2.073
  635   3HD1  ILE  31          3HD1      ILE  31 -15.211   0.965   2.293
  636    H    LYS  32           H        LYS  32 -13.228   3.108  -2.995
  637    HA   LYS  32           HA       LYS  32 -14.623   5.229  -1.629
  638   1HB   LYS  32          1HB       LYS  32 -12.441   5.681  -2.598
  639   2HB   LYS  32          2HB       LYS  32 -13.018   5.210  -4.190
  640   1HG   LYS  32          1HG       LYS  32 -14.301   7.132  -4.433
  641   2HG   LYS  32          2HG       LYS  32 -14.305   7.461  -2.700
  642   1HD   LYS  32          1HD       LYS  32 -12.793   9.025  -3.482
  643   2HD   LYS  32          2HD       LYS  32 -11.733   7.696  -3.010
  644   1HE   LYS  32          1HE       LYS  32 -11.293   7.095  -5.194
  645   2HE   LYS  32          2HE       LYS  32 -12.781   7.820  -5.802
  646   1HZ   LYS  32          1HZ       LYS  32 -11.122   9.801  -4.650
  647   2HZ   LYS  32          2HZ       LYS  32 -10.250   8.931  -5.809
  648   3HZ   LYS  32          3HZ       LYS  32 -11.702   9.690  -6.235
  649    H    LYS  33           H        LYS  33 -15.069   3.271  -4.489
  650    HA   LYS  33           HA       LYS  33 -17.159   4.877  -5.604
  651   1HB   LYS  33          1HB       LYS  33 -15.963   2.210  -6.188
  652   2HB   LYS  33          2HB       LYS  33 -17.563   2.553  -6.831
  653   1HG   LYS  33          1HG       LYS  33 -16.396   4.765  -7.648
  654   2HG   LYS  33          2HG       LYS  33 -14.942   3.774  -7.509
  655   1HD   LYS  33          1HD       LYS  33 -15.726   2.215  -9.087
  656   2HD   LYS  33          2HD       LYS  33 -17.379   2.826  -8.989
  657   1HE   LYS  33          1HE       LYS  33 -16.043   5.054  -9.771
  658   2HE   LYS  33          2HE       LYS  33 -15.088   3.796 -10.556
  659   1HZ   LYS  33          1HZ       LYS  33 -17.164   2.936 -11.524
  660   2HZ   LYS  33          2HZ       LYS  33 -18.011   4.232 -10.844
  661   3HZ   LYS  33          3HZ       LYS  33 -16.827   4.518 -12.020
  662    H    LEU  34           H        LEU  34 -16.984   2.095  -3.468
  663    HA   LEU  34           HA       LEU  34 -19.793   1.560  -3.496
  664   1HB   LEU  34          1HB       LEU  34 -17.413   0.506  -2.159
  665   2HB   LEU  34          2HB       LEU  34 -18.844   0.484  -1.148
  666    HG   LEU  34           HG       LEU  34 -18.963  -0.641  -3.920
  667   1HD1  LEU  34          1HD1      LEU  34 -17.833  -1.979  -1.475
  668   2HD1  LEU  34          2HD1      LEU  34 -18.437  -2.864  -2.876
  669   3HD1  LEU  34          3HD1      LEU  34 -17.067  -1.768  -3.048
  670   1HD2  LEU  34          1HD2      LEU  34 -20.749  -0.371  -1.757
  671   2HD2  LEU  34          2HD2      LEU  34 -21.010  -1.211  -3.286
  672   3HD2  LEU  34          3HD2      LEU  34 -20.367  -2.087  -1.896
  673    H    LYS  35           H        LYS  35 -17.609   3.401  -1.428
  674    HA   LYS  35           HA       LYS  35 -19.589   4.001   0.546
  675   1HB   LYS  35          1HB       LYS  35 -17.125   4.008   0.971
  676   2HB   LYS  35          2HB       LYS  35 -17.001   5.459  -0.014
  677   1HG   LYS  35          1HG       LYS  35 -18.954   6.133   1.783
  678   2HG   LYS  35          2HG       LYS  35 -17.863   5.137   2.750
  679   1HD   LYS  35          1HD       LYS  35 -17.006   7.482   1.056
  680   2HD   LYS  35          2HD       LYS  35 -17.293   7.551   2.796
  681   1HE   LYS  35          1HE       LYS  35 -15.372   5.574   1.620
  682   2HE   LYS  35          2HE       LYS  35 -14.878   7.233   1.949
  683   1HZ   LYS  35          1HZ       LYS  35 -16.215   5.723   4.077
  684   2HZ   LYS  35          2HZ       LYS  35 -14.596   5.369   3.736
  685   3HZ   LYS  35          3HZ       LYS  35 -15.042   6.936   4.192
  686    H    GLN  36           H        GLN  36 -18.519   5.469  -2.432
  687    HA   GLN  36           HA       GLN  36 -19.788   7.994  -1.985
  688   1HB   GLN  36          1HB       GLN  36 -17.898   7.803  -3.516
  689   2HB   GLN  36          2HB       GLN  36 -18.810   6.697  -4.534
  690   1HG   GLN  36          1HG       GLN  36 -20.502   8.678  -4.672
  691   2HG   GLN  36          2HG       GLN  36 -19.104   9.641  -4.192
  692   2HE2  GLN  36          2HE2      GLN  36 -18.908  10.718  -6.114
  693   1HE2  GLN  36          1HE2      GLN  36 -18.418   9.954  -7.584
  694    H    SER  37           H        SER  37 -20.719   4.936  -3.395
  695    HA   SER  37           HA       SER  37 -23.063   5.861  -4.708
  696   1HB   SER  37          1HB       SER  37 -21.657   3.481  -4.640
  697   2HB   SER  37          2HB       SER  37 -23.159   3.080  -3.808
  698    HG   SER  37           HG       SER  37 -23.589   2.772  -5.928
  699    H    GLU  38           H        GLU  38 -22.319   4.950  -1.443
  700    HA   GLU  38           HA       GLU  38 -24.963   4.441  -0.558
  701   1HB   GLU  38          1HB       GLU  38 -23.091   3.649   0.738
  702   2HB   GLU  38          2HB       GLU  38 -22.480   5.284   0.940
  703   1HG   GLU  38          1HG       GLU  38 -24.671   5.776   2.140
  704   2HG   GLU  38          2HG       GLU  38 -24.896   4.027   2.188
  705    H    ASP  39           H        ASP  39 -23.086   7.345  -0.998
  706    HA   ASP  39           HA       ASP  39 -24.920   9.008   0.491
  707   1HB   ASP  39          1HB       ASP  39 -22.310   9.325  -0.790
  708   2HB   ASP  39          2HB       ASP  39 -23.367  10.713  -1.036
  709    H    ASP  40           H        ASP  40 -24.510   7.938  -2.775
  710    HA   ASP  40           HA       ASP  40 -25.837   8.162  -4.614
  711   1HB   ASP  40          1HB       ASP  40 -27.583   8.676  -2.447
  712   2HB   ASP  40          2HB       ASP  40 -27.913   9.904  -3.666
  713    H    ASP  41           H        ASP  41 -25.696   9.499  -6.330
  714    HA   ASP  41           HA       ASP  41 -25.459  12.379  -5.888
  715   1HB   ASP  41          1HB       ASP  41 -23.402  10.691  -7.324
  716   2HB   ASP  41          2HB       ASP  41 -23.475  12.448  -7.429

  No H/Q in entry =         716
  Start of MODEL   35
    1    H1   ALA   1           H1       ALA   1 -27.177   7.748   7.781
    2    H2   ALA   1           H2       ALA   1 -25.486   8.042   7.817
    3    H3   ALA   1           H3       ALA   1 -26.536   8.955   8.818
    4    HA   ALA   1           HA       ALA   1 -27.349  10.176   7.127
    5   1HB   ALA   1          1HB       ALA   1 -24.486   9.725   7.145
    6   2HB   ALA   1          2HB       ALA   1 -25.058  10.300   5.579
    7   3HB   ALA   1          3HB       ALA   1 -25.392  11.234   7.038
    8    H    LEU   2           H        LEU   2 -26.209   7.075   6.100
    9    HA   LEU   2           HA       LEU   2 -27.940   7.217   3.766
   10   1HB   LEU   2          1HB       LEU   2 -25.179   6.140   3.357
   11   2HB   LEU   2          2HB       LEU   2 -26.339   6.693   2.164
   12    HG   LEU   2           HG       LEU   2 -25.938   9.031   3.309
   13   1HD1  LEU   2          1HD1      LEU   2 -23.432   7.498   3.982
   14   2HD1  LEU   2          2HD1      LEU   2 -23.573   9.256   4.012
   15   3HD1  LEU   2          3HD1      LEU   2 -24.541   8.274   5.113
   16   1HD2  LEU   2          1HD2      LEU   2 -24.330   7.580   1.260
   17   2HD2  LEU   2          2HD2      LEU   2 -25.437   8.941   1.069
   18   3HD2  LEU   2          3HD2      LEU   2 -23.833   9.198   1.756
   19    H    LYS   3           H        LYS   3 -27.230   4.842   2.560
   20    HA   LYS   3           HA       LYS   3 -28.620   2.938   3.980
   21   1HB   LYS   3          1HB       LYS   3 -26.445   2.533   1.922
   22   2HB   LYS   3          2HB       LYS   3 -27.522   1.263   2.486
   23   1HG   LYS   3          1HG       LYS   3 -29.338   2.121   1.384
   24   2HG   LYS   3          2HG       LYS   3 -28.701   3.767   1.390
   25   1HD   LYS   3          1HD       LYS   3 -27.405   1.565  -0.193
   26   2HD   LYS   3          2HD       LYS   3 -28.738   2.523  -0.844
   27   1HE   LYS   3          1HE       LYS   3 -26.094   3.587   0.146
   28   2HE   LYS   3          2HE       LYS   3 -26.585   3.431  -1.540
   29   1HZ   LYS   3          1HZ       LYS   3 -28.590   4.886  -0.588
   30   2HZ   LYS   3          2HZ       LYS   3 -27.354   5.414   0.439
   31   3HZ   LYS   3          3HZ       LYS   3 -27.183   5.565  -1.238
   32    H    LYS   4           H        LYS   4 -28.122   1.293   5.381
   33    HA   LYS   4           HA       LYS   4 -25.607   1.596   6.822
   34   1HB   LYS   4          1HB       LYS   4 -28.105   0.010   7.436
   35   2HB   LYS   4          2HB       LYS   4 -26.677   0.030   8.461
   36   1HG   LYS   4          1HG       LYS   4 -28.150   2.537   7.714
   37   2HG   LYS   4          2HG       LYS   4 -28.586   1.559   9.117
   38   1HD   LYS   4          1HD       LYS   4 -27.059   2.708  10.264
   39   2HD   LYS   4          2HD       LYS   4 -25.829   1.873   9.312
   40   1HE   LYS   4          1HE       LYS   4 -25.239   4.034   8.879
   41   2HE   LYS   4          2HE       LYS   4 -26.393   3.778   7.570
   42   1HZ   LYS   4          1HZ       LYS   4 -28.021   4.633   9.479
   43   2HZ   LYS   4          2HZ       LYS   4 -26.612   5.452   9.937
   44   3HZ   LYS   4          3HZ       LYS   4 -27.256   5.675   8.389
   45    H    HIS   5           H        HIS   5 -27.172  -0.572   4.631
   46    HA   HIS   5           HA       HIS   5 -25.484  -2.827   5.216
   47   1HB   HIS   5          1HB       HIS   5 -26.491  -3.686   3.016
   48   2HB   HIS   5          2HB       HIS   5 -27.596  -3.419   4.361
   49    HD1  HIS   5           HD1      HIS   5 -29.633  -2.154   3.772
   50    HD2  HIS   5           HD2      HIS   5 -26.490  -1.300   1.193
   51    HE1  HIS   5           HE1      HIS   5 -30.586  -0.595   2.044
   52    HE2  HIS   5           HE2      HIS   5 -28.667  -0.091   0.492
   53    H    HIS   6           H        HIS   6 -25.594  -0.256   2.811
   54    HA   HIS   6           HA       HIS   6 -23.444  -1.275   1.237
   55   1HB   HIS   6          1HB       HIS   6 -25.138   1.133   1.266
   56   2HB   HIS   6          2HB       HIS   6 -23.506   1.397   0.659
   57    HD1  HIS   6           HD1      HIS   6 -25.037  -1.916   0.002
   58    HD2  HIS   6           HD2      HIS   6 -24.604   1.734  -1.938
   59    HE1  HIS   6           HE1      HIS   6 -25.639  -2.356  -2.399
   60    HE2  HIS   6           HE2      HIS   6 -25.372  -0.133  -3.556
   61    H    GLU   7           H        GLU   7 -23.705   0.981   3.925
   62    HA   GLU   7           HA       GLU   7 -21.026   1.923   3.776
   63   1HB   GLU   7          1HB       GLU   7 -21.427   2.950   5.894
   64   2HB   GLU   7          2HB       GLU   7 -22.916   3.078   4.968
   65   1HG   GLU   7          1HG       GLU   7 -23.820   1.152   6.188
   66   2HG   GLU   7          2HG       GLU   7 -22.339   1.076   7.140
   67    H    ASN   8           H        ASN   8 -22.605  -0.755   5.401
   68    HA   ASN   8           HA       ASN   8 -20.468  -1.497   7.086
   69   1HB   ASN   8          1HB       ASN   8 -22.832  -2.310   7.292
   70   2HB   ASN   8          2HB       ASN   8 -22.555  -3.325   5.881
   71   2HD2  ASN   8          2HD2      ASN   8 -23.077  -5.106   7.256
   72   1HD2  ASN   8          1HD2      ASN   8 -21.881  -5.765   8.314
   73    H    GLU   9           H        GLU   9 -21.402  -2.524   3.820
   74    HA   GLU   9           HA       GLU   9 -19.394  -4.448   3.461
   75   1HB   GLU   9          1HB       GLU   9 -21.339  -4.213   1.960
   76   2HB   GLU   9          2HB       GLU   9 -20.698  -2.683   1.377
   77   1HG   GLU   9          1HG       GLU   9 -19.582  -3.770  -0.186
   78   2HG   GLU   9          2HG       GLU   9 -18.652  -4.592   1.066
   79    H    ILE  10           H        ILE  10 -19.447  -0.997   2.547
   80    HA   ILE  10           HA       ILE  10 -16.748  -1.039   1.645
   81    HB   ILE  10           HB       ILE  10 -16.874   1.378   1.547
   82   1HG1  ILE  10          1HG1      ILE  10 -19.478   1.026   3.037
   83   2HG1  ILE  10          2HG1      ILE  10 -18.053   1.907   3.580
   84   1HG2  ILE  10          1HG2      ILE  10 -18.081  -0.218  -0.088
   85   2HG2  ILE  10          2HG2      ILE  10 -19.555   0.434   0.629
   86   3HG2  ILE  10          3HG2      ILE  10 -18.413   1.512  -0.172
   87   1HD1  ILE  10          1HD1      ILE  10 -18.928   2.942   1.058
   88   2HD1  ILE  10          2HD1      ILE  10 -20.272   2.912   2.202
   89   3HD1  ILE  10          3HD1      ILE  10 -18.782   3.759   2.616
   90    H    SER  11           H        SER  11 -18.094  -1.130   4.741
   91    HA   SER  11           HA       SER  11 -16.071   0.367   6.101
   92   1HB   SER  11          1HB       SER  11 -18.463  -1.090   6.820
   93   2HB   SER  11          2HB       SER  11 -17.129  -1.567   7.870
   94    HG   SER  11           HG       SER  11 -17.165   0.338   8.770
   95    H    HIS  12           H        HIS  12 -16.622  -2.988   5.194
   96    HA   HIS  12           HA       HIS  12 -14.283  -3.972   6.521
   97   1HB   HIS  12          1HB       HIS  12 -15.568  -5.805   6.251
   98   2HB   HIS  12          2HB       HIS  12 -16.502  -5.058   4.967
   99    HD1  HIS  12           HD1      HIS  12 -13.518  -7.259   5.551
  100    HD2  HIS  12           HD2      HIS  12 -15.779  -5.787   2.393
  101    HE1  HIS  12           HE1      HIS  12 -12.784  -8.570   3.533
  102    HE2  HIS  12           HE2      HIS  12 -14.168  -7.665   1.631
  103    H    HIS  13           H        HIS  13 -15.081  -2.963   3.209
  104    HA   HIS  13           HA       HIS  13 -12.641  -3.707   2.016
  105   1HB   HIS  13          1HB       HIS  13 -14.415  -1.382   1.262
  106   2HB   HIS  13          2HB       HIS  13 -13.199  -2.133   0.241
  107    HD1  HIS  13           HD1      HIS  13 -14.187  -5.112   1.095
  108    HD2  HIS  13           HD2      HIS  13 -16.433  -2.005  -0.489
  109    HE1  HIS  13           HE1      HIS  13 -16.171  -6.213   0.003
  110    HE2  HIS  13           HE2      HIS  13 -17.524  -4.311  -0.951
  111    H    ALA  14           H        ALA  14 -13.608  -0.911   3.892
  112    HA   ALA  14           HA       ALA  14 -11.416   0.754   3.249
  113   1HB   ALA  14          1HB       ALA  14 -13.265   0.670   5.625
  114   2HB   ALA  14          2HB       ALA  14 -12.002   1.885   5.438
  115   3HB   ALA  14          3HB       ALA  14 -13.304   1.777   4.252
  116    H    LYS  15           H        LYS  15 -12.017  -1.332   6.081
  117    HA   LYS  15           HA       LYS  15  -9.495  -0.989   7.256
  118   1HB   LYS  15          1HB       LYS  15 -11.761  -2.825   7.556
  119   2HB   LYS  15          2HB       LYS  15 -10.212  -3.556   7.955
  120   1HG   LYS  15          1HG       LYS  15  -9.944  -1.278   9.308
  121   2HG   LYS  15          2HG       LYS  15 -11.705  -1.401   9.320
  122   1HD   LYS  15          1HD       LYS  15  -9.954  -3.715  10.096
  123   2HD   LYS  15          2HD       LYS  15 -10.418  -2.473  11.260
  124   1HE   LYS  15          1HE       LYS  15 -12.762  -3.247   9.890
  125   2HE   LYS  15          2HE       LYS  15 -11.913  -4.726  10.336
  126   1HZ   LYS  15          1HZ       LYS  15 -11.913  -2.866  12.483
  127   2HZ   LYS  15          2HZ       LYS  15 -13.495  -3.170  11.965
  128   3HZ   LYS  15          3HZ       LYS  15 -12.500  -4.453  12.443
  129    H    GLU  16           H        GLU  16 -10.483  -2.772   4.483
  130    HA   GLU  16           HA       GLU  16  -8.302  -4.629   4.472
  131   1HB   GLU  16          1HB       GLU  16 -10.716  -4.393   3.116
  132   2HB   GLU  16          2HB       GLU  16  -9.504  -4.115   1.874
  133   1HG   GLU  16          1HG       GLU  16  -9.151  -6.287   1.722
  134   2HG   GLU  16          2HG       GLU  16  -8.664  -6.335   3.416
  135    H    ILE  17           H        ILE  17  -9.003  -1.553   2.815
  136    HA   ILE  17           HA       ILE  17  -6.612  -1.603   1.260
  137    HB   ILE  17           HB       ILE  17  -7.218   0.494   0.449
  138   1HG1  ILE  17          1HG1      ILE  17  -9.166   1.727   1.877
  139   2HG1  ILE  17          2HG1      ILE  17  -8.281   0.948   3.185
  140   1HG2  ILE  17          1HG2      ILE  17  -9.160  -1.469   0.695
  141   2HG2  ILE  17          2HG2      ILE  17  -9.994   0.038   1.070
  142   3HG2  ILE  17          3HG2      ILE  17  -9.131  -0.137  -0.455
  143   1HD1  ILE  17          1HD1      ILE  17  -6.911   2.634   1.119
  144   2HD1  ILE  17          2HD1      ILE  17  -7.621   3.319   2.581
  145   3HD1  ILE  17          3HD1      ILE  17  -6.320   2.134   2.704
  146    H    GLU  18           H        GLU  18  -7.405  -0.547   4.469
  147    HA   GLU  18           HA       GLU  18  -5.078   1.088   4.831
  148   1HB   GLU  18          1HB       GLU  18  -7.014   1.545   6.186
  149   2HB   GLU  18          2HB       GLU  18  -7.048  -0.107   6.784
  150   1HG   GLU  18          1HG       GLU  18  -4.629   1.558   7.272
  151   2HG   GLU  18          2HG       GLU  18  -6.077   1.830   8.241
  152    H    ARG  19           H        ARG  19  -5.983  -2.242   5.545
  153    HA   ARG  19           HA       ARG  19  -3.682  -2.910   7.045
  154   1HB   ARG  19          1HB       ARG  19  -5.683  -4.291   7.124
  155   2HB   ARG  19          2HB       ARG  19  -5.536  -4.654   5.410
  156   1HG   ARG  19          1HG       ARG  19  -3.298  -5.701   5.965
  157   2HG   ARG  19          2HG       ARG  19  -3.773  -5.573   7.659
  158   1HD   ARG  19          1HD       ARG  19  -5.936  -6.775   6.874
  159   2HD   ARG  19          2HD       ARG  19  -4.966  -7.237   5.476
  160    HE   ARG  19           HE       ARG  19  -4.730  -8.240   8.165
  161   1HH1  ARG  19          1HH1      ARG  19  -3.125  -7.786   5.109
  162   2HH1  ARG  19          2HH1      ARG  19  -1.988  -9.066   5.369
  163   1HH2  ARG  19          1HH2      ARG  19  -3.237  -9.928   8.518
  164   2HH2  ARG  19          2HH2      ARG  19  -2.052 -10.285   7.307
  165    H    LEU  20           H        LEU  20  -4.484  -3.240   3.598
  166    HA   LEU  20           HA       LEU  20  -2.102  -4.513   2.822
  167   1HB   LEU  20          1HB       LEU  20  -4.428  -3.661   1.570
  168   2HB   LEU  20          2HB       LEU  20  -3.179  -2.680   0.829
  169    HG   LEU  20           HG       LEU  20  -3.378  -4.553  -0.566
  170   1HD1  LEU  20          1HD1      LEU  20  -1.017  -4.047   0.749
  171   2HD1  LEU  20          2HD1      LEU  20  -1.193  -5.795   0.897
  172   3HD1  LEU  20          3HD1      LEU  20  -1.206  -5.039  -0.696
  173   1HD2  LEU  20          1HD2      LEU  20  -3.678  -6.061   1.988
  174   2HD2  LEU  20          2HD2      LEU  20  -4.660  -6.117   0.524
  175   3HD2  LEU  20          3HD2      LEU  20  -3.079  -6.898   0.556
  176    H    GLN  21           H        GLN  21  -3.015  -1.103   3.028
  177    HA   GLN  21           HA       GLN  21  -0.669  -0.004   1.956
  178   1HB   GLN  21          1HB       GLN  21  -2.799   1.011   3.803
  179   2HB   GLN  21          2HB       GLN  21  -1.360   1.981   3.520
  180   1HG   GLN  21          1HG       GLN  21  -1.831   1.886   1.093
  181   2HG   GLN  21          2HG       GLN  21  -3.332   1.035   1.455
  182   2HE2  GLN  21          2HE2      GLN  21  -4.161   2.409   3.695
  183   1HE2  GLN  21          1HE2      GLN  21  -4.555   4.033   3.256
  184    H    LYS  22           H        LYS  22  -1.434  -1.228   5.136
  185    HA   LYS  22           HA       LYS  22   0.724  -0.089   6.546
  186   1HB   LYS  22          1HB       LYS  22  -1.138  -1.053   7.744
  187   2HB   LYS  22          2HB       LYS  22  -0.839  -2.630   7.026
  188   1HG   LYS  22          1HG       LYS  22   0.000  -2.767   9.209
  189   2HG   LYS  22          2HG       LYS  22   1.418  -2.568   8.178
  190   1HD   LYS  22          1HD       LYS  22   0.228  -0.062   9.148
  191   2HD   LYS  22          2HD       LYS  22   0.910  -1.097  10.404
  192   1HE   LYS  22          1HE       LYS  22   2.384  -0.280   7.906
  193   2HE   LYS  22          2HE       LYS  22   2.506   0.573   9.444
  194   1HZ   LYS  22          1HZ       LYS  22   3.178  -2.292   9.048
  195   2HZ   LYS  22          2HZ       LYS  22   4.309  -1.035   9.089
  196   3HZ   LYS  22          3HZ       LYS  22   3.393  -1.395  10.465
  197    H    GLU  23           H        GLU  23   0.352  -3.188   4.864
  198    HA   GLU  23           HA       GLU  23   2.867  -4.255   5.492
  199   1HB   GLU  23          1HB       GLU  23   0.660  -5.045   3.985
  200   2HB   GLU  23          2HB       GLU  23   1.975  -4.974   2.821
  201   1HG   GLU  23          1HG       GLU  23   2.384  -7.062   3.497
  202   2HG   GLU  23          2HG       GLU  23   3.175  -6.279   4.865
  203    H    ILE  24           H        ILE  24   1.825  -2.333   2.686
  204    HA   ILE  24           HA       ILE  24   4.291  -2.342   1.353
  205    HB   ILE  24           HB       ILE  24   3.428  -0.857  -0.139
  206   1HG1  ILE  24          1HG1      ILE  24   1.722   0.976   0.598
  207   2HG1  ILE  24          2HG1      ILE  24   2.335   0.651   2.217
  208   1HG2  ILE  24          1HG2      ILE  24   1.700  -2.618   0.362
  209   2HG2  ILE  24          2HG2      ILE  24   0.824  -1.376   1.252
  210   3HG2  ILE  24          3HG2      ILE  24   1.124  -1.176  -0.473
  211   1HD1  ILE  24          1HD1      ILE  24   4.472   1.002   0.292
  212   2HD1  ILE  24          2HD1      ILE  24   3.401   2.405   0.380
  213   3HD1  ILE  24          3HD1      ILE  24   4.192   1.806   1.838
  214    H    GLU  25           H        GLU  25   3.055  -0.360   3.957
  215    HA   GLU  25           HA       GLU  25   5.047   1.617   3.993
  216   1HB   GLU  25          1HB       GLU  25   3.064   0.562   5.948
  217   2HB   GLU  25          2HB       GLU  25   4.389   1.529   6.580
  218   1HG   GLU  25          1HG       GLU  25   3.683   3.184   4.680
  219   2HG   GLU  25          2HG       GLU  25   2.151   2.318   4.787
  220    H    ARG  26           H        ARG  26   4.854  -1.575   5.491
  221    HA   ARG  26           HA       ARG  26   7.125  -1.445   7.105
  222   1HB   ARG  26          1HB       ARG  26   5.565  -3.303   7.255
  223   2HB   ARG  26          2HB       ARG  26   5.952  -3.802   5.614
  224   1HG   ARG  26          1HG       ARG  26   8.273  -3.638   7.383
  225   2HG   ARG  26          2HG       ARG  26   7.065  -4.826   7.878
  226   1HD   ARG  26          1HD       ARG  26   7.775  -4.773   5.009
  227   2HD   ARG  26          2HD       ARG  26   9.018  -5.354   6.116
  228    HE   ARG  26           HE       ARG  26   6.550  -6.671   5.424
  229   1HH1  ARG  26          1HH1      ARG  26   9.120  -6.404   7.759
  230   2HH1  ARG  26          2HH1      ARG  26   8.879  -7.995   8.400
  231   1HH2  ARG  26          1HH2      ARG  26   6.224  -8.768   6.260
  232   2HH2  ARG  26          2HH2      ARG  26   7.232  -9.340   7.548
  233    H    HIS  27           H        HIS  27   6.771  -2.435   3.707
  234    HA   HIS  27           HA       HIS  27   9.528  -2.962   3.304
  235   1HB   HIS  27          1HB       HIS  27   7.147  -3.135   1.781
  236   2HB   HIS  27          2HB       HIS  27   8.245  -2.095   0.880
  237    HD1  HIS  27           HD1      HIS  27  10.488  -3.167   0.066
  238    HD2  HIS  27           HD2      HIS  27   7.840  -5.821   1.860
  239    HE1  HIS  27           HE1      HIS  27  11.336  -5.462  -0.518
  240    HE2  HIS  27           HE2      HIS  27   9.718  -7.053   0.578
  241    H    LYS  28           H        LYS  28   7.586  -0.099   3.358
  242    HA   LYS  28           HA       LYS  28   9.361   1.583   1.916
  243   1HB   LYS  28          1HB       LYS  28   6.818   1.874   2.561
  244   2HB   LYS  28          2HB       LYS  28   7.496   2.673   3.974
  245   1HG   LYS  28          1HG       LYS  28   8.891   3.836   1.933
  246   2HG   LYS  28          2HG       LYS  28   7.300   3.589   1.212
  247   1HD   LYS  28          1HD       LYS  28   7.821   4.959   3.851
  248   2HD   LYS  28          2HD       LYS  28   7.507   5.782   2.322
  249   1HE   LYS  28          1HE       LYS  28   5.298   4.924   2.214
  250   2HE   LYS  28          2HE       LYS  28   5.601   3.793   3.531
  251   1HZ   LYS  28          1HZ       LYS  28   5.687   6.739   3.865
  252   2HZ   LYS  28          2HZ       LYS  28   4.300   5.813   4.146
  253   3HZ   LYS  28          3HZ       LYS  28   5.688   5.564   5.081
  254    H    GLN  29           H        GLN  29   9.160   0.493   5.193
  255    HA   GLN  29           HA       GLN  29  10.816   2.544   6.310
  256   1HB   GLN  29          1HB       GLN  29   9.116   0.934   7.484
  257   2HB   GLN  29          2HB       GLN  29  10.488  -0.164   7.554
  258   1HG   GLN  29          1HG       GLN  29  11.594   1.085   9.090
  259   2HG   GLN  29          2HG       GLN  29  10.921   2.605   8.501
  260   2HE2  GLN  29          2HE2      GLN  29   9.425  -0.397   9.649
  261   1HE2  GLN  29          1HE2      GLN  29   8.480   0.344  10.890
  262    H    SER  30           H        SER  30  11.315  -0.797   5.236
  263    HA   SER  30           HA       SER  30  14.053  -0.926   5.946
  264   1HB   SER  30          1HB       SER  30  13.913  -2.733   3.954
  265   2HB   SER  30          2HB       SER  30  13.298  -3.048   5.577
  266    HG   SER  30           HG       SER  30  11.672  -3.555   4.172
  267    H    ILE  31           H        ILE  31  12.405  -0.034   2.942
  268    HA   ILE  31           HA       ILE  31  14.797   0.303   1.427
  269    HB   ILE  31           HB       ILE  31  12.753  -0.140   0.260
  270   1HG1  ILE  31          1HG1      ILE  31  12.573   1.927  -1.236
  271   2HG1  ILE  31          2HG1      ILE  31  13.808   2.649  -0.206
  272   1HG2  ILE  31          1HG2      ILE  31  11.596   1.524   2.156
  273   2HG2  ILE  31          2HG2      ILE  31  11.401   2.390   0.635
  274   3HG2  ILE  31          3HG2      ILE  31  10.786   0.748   0.796
  275   1HD1  ILE  31          1HD1      ILE  31  15.147   0.513  -0.730
  276   2HD1  ILE  31          2HD1      ILE  31  14.005   0.331  -2.061
  277   3HD1  ILE  31          3HD1      ILE  31  15.016   1.774  -1.958
  278    H    LYS  32           H        LYS  32  12.858   2.385   3.465
  279    HA   LYS  32           HA       LYS  32  14.125   4.814   2.618
  280   1HB   LYS  32          1HB       LYS  32  12.239   4.073   4.831
  281   2HB   LYS  32          2HB       LYS  32  13.018   5.649   4.822
  282   1HG   LYS  32          1HG       LYS  32  11.458   4.616   2.476
  283   2HG   LYS  32          2HG       LYS  32  10.709   5.509   3.800
  284   1HD   LYS  32          1HD       LYS  32  12.086   7.427   3.361
  285   2HD   LYS  32          2HD       LYS  32  13.029   6.533   2.168
  286   1HE   LYS  32          1HE       LYS  32  11.440   7.991   1.059
  287   2HE   LYS  32          2HE       LYS  32  11.021   6.302   0.774
  288   1HZ   LYS  32          1HZ       LYS  32   9.416   6.540   2.664
  289   2HZ   LYS  32          2HZ       LYS  32   9.704   8.206   2.626
  290   3HZ   LYS  32          3HZ       LYS  32   9.029   7.433   1.280
  291    H    LYS  33           H        LYS  33  14.895   2.305   4.841
  292    HA   LYS  33           HA       LYS  33  16.622   3.941   6.477
  293   1HB   LYS  33          1HB       LYS  33  15.334   1.519   6.842
  294   2HB   LYS  33          2HB       LYS  33  17.023   1.058   6.672
  295   1HG   LYS  33          1HG       LYS  33  17.664   2.420   8.510
  296   2HG   LYS  33          2HG       LYS  33  16.071   3.175   8.583
  297   1HD   LYS  33          1HD       LYS  33  15.122   1.388   9.627
  298   2HD   LYS  33          2HD       LYS  33  16.182   0.224   8.831
  299   1HE   LYS  33          1HE       LYS  33  17.871   0.504  10.370
  300   2HE   LYS  33          2HE       LYS  33  17.342   2.127  10.811
  301   1HZ   LYS  33          1HZ       LYS  33  15.261   0.514  11.537
  302   2HZ   LYS  33          2HZ       LYS  33  16.627  -0.388  11.962
  303   3HZ   LYS  33          3HZ       LYS  33  16.419   1.175  12.578
  304    H    LEU  34           H        LEU  34  16.990   1.603   3.844
  305    HA   LEU  34           HA       LEU  34  19.876   1.752   3.995
  306   1HB   LEU  34          1HB       LEU  34  18.727  -0.345   3.384
  307   2HB   LEU  34          2HB       LEU  34  18.103   0.431   1.942
  308    HG   LEU  34           HG       LEU  34  20.402   0.711   1.101
  309   1HD1  LEU  34          1HD1      LEU  34  21.125  -0.713   3.652
  310   2HD1  LEU  34          2HD1      LEU  34  22.208  -0.575   2.267
  311   3HD1  LEU  34          3HD1      LEU  34  21.663   0.876   3.108
  312   1HD2  LEU  34          1HD2      LEU  34  18.894  -1.605   1.202
  313   2HD2  LEU  34          2HD2      LEU  34  20.262  -1.290   0.133
  314   3HD2  LEU  34          3HD2      LEU  34  20.513  -2.132   1.663
  315    H    LYS  35           H        LYS  35  17.306   3.361   2.369
  316    HA   LYS  35           HA       LYS  35  19.039   4.447   0.304
  317   1HB   LYS  35          1HB       LYS  35  16.764   3.885  -0.335
  318   2HB   LYS  35          2HB       LYS  35  16.120   4.918   0.935
  319   1HG   LYS  35          1HG       LYS  35  17.382   6.812  -0.278
  320   2HG   LYS  35          2HG       LYS  35  17.426   5.689  -1.639
  321   1HD   LYS  35          1HD       LYS  35  14.974   6.722  -0.219
  322   2HD   LYS  35          2HD       LYS  35  15.500   7.126  -1.854
  323   1HE   LYS  35          1HE       LYS  35  15.061   4.930  -2.633
  324   2HE   LYS  35          2HE       LYS  35  14.855   4.317  -0.994
  325   1HZ   LYS  35          1HZ       LYS  35  13.070   6.352  -2.205
  326   2HZ   LYS  35          2HZ       LYS  35  12.753   4.691  -2.256
  327   3HZ   LYS  35          3HZ       LYS  35  12.827   5.494  -0.768
  328    H    GLN  36           H        GLN  36  17.707   5.299   3.394
  329    HA   GLN  36           HA       GLN  36  18.326   8.113   3.127
  330   1HB   GLN  36          1HB       GLN  36  16.420   7.522   4.480
  331   2HB   GLN  36          2HB       GLN  36  17.396   6.446   5.470
  332   1HG   GLN  36          1HG       GLN  36  18.230   8.125   6.717
  333   2HG   GLN  36          2HG       GLN  36  18.280   9.253   5.363
  334   2HE2  GLN  36          2HE2      GLN  36  17.469  10.251   7.674
  335   1HE2  GLN  36          1HE2      GLN  36  15.761  10.514   7.693
  336    H    SER  37           H        SER  37  19.767   5.228   4.477
  337    HA   SER  37           HA       SER  37  21.805   6.607   5.947
  338   1HB   SER  37          1HB       SER  37  22.839   4.297   6.077
  339   2HB   SER  37          2HB       SER  37  21.203   4.426   6.723
  340    HG   SER  37           HG       SER  37  21.768   3.592   4.075
  341    H    GLU  38           H        GLU  38  21.401   5.500   2.691
  342    HA   GLU  38           HA       GLU  38  24.177   5.469   2.001
  343   1HB   GLU  38          1HB       GLU  38  22.262   4.262   0.805
  344   2HB   GLU  38          2HB       GLU  38  21.888   5.816   0.073
  345   1HG   GLU  38          1HG       GLU  38  24.569   5.585  -0.401
  346   2HG   GLU  38          2HG       GLU  38  24.013   3.917  -0.534
  347    H    ASP  39           H        ASP  39  21.664   7.879   2.084
  348    HA   ASP  39           HA       ASP  39  23.643   9.928   1.456
  349   1HB   ASP  39          1HB       ASP  39  22.168   9.153  -0.602
  350   2HB   ASP  39          2HB       ASP  39  20.973  10.208   0.147
  351    H    ASP  40           H        ASP  40  22.647   9.317   3.942
  352    HA   ASP  40           HA       ASP  40  20.358  10.565   4.824
  353   1HB   ASP  40          1HB       ASP  40  22.268   9.202   6.076
  354   2HB   ASP  40          2HB       ASP  40  22.803  10.822   6.512
  355    H    ASP  41           H        ASP  41  19.804  12.611   5.509
  356    HA   ASP  41           HA       ASP  41  21.506  14.762   4.481
  357   1HB   ASP  41          1HB       ASP  41  18.646  14.317   4.634
  358   2HB   ASP  41          2HB       ASP  41  19.085  15.869   5.342
  359    H1   ALA   1           H1       ALA   1  27.176   7.748  -7.793
  360    H2   ALA   1           H2       ALA   1  25.486   8.042  -7.827
  361    H3   ALA   1           H3       ALA   1  26.533   8.956  -8.829
  362    HA   ALA   1           HA       ALA   1  27.348  10.177  -7.138
  363   1HB   ALA   1          1HB       ALA   1  25.059  10.301  -5.589
  364   2HB   ALA   1          2HB       ALA   1  25.391  11.234  -7.049
  365   3HB   ALA   1          3HB       ALA   1  24.485   9.725  -7.155
  366    H    LEU   2           H        LEU   2  26.206   7.076  -6.110
  367    HA   LEU   2           HA       LEU   2  27.941   7.218  -3.777
  368   1HB   LEU   2          1HB       LEU   2  25.179   6.141  -3.368
  369   2HB   LEU   2          2HB       LEU   2  26.339   6.694  -2.175
  370    HG   LEU   2           HG       LEU   2  25.938   9.032  -3.320
  371   1HD1  LEU   2          1HD1      LEU   2  23.432   7.499  -3.991
  372   2HD1  LEU   2          2HD1      LEU   2  23.574   9.256  -4.022
  373   3HD1  LEU   2          3HD1      LEU   2  24.541   8.274  -5.123
  374   1HD2  LEU   2          1HD2      LEU   2  24.334   7.583  -1.268
  375   2HD2  LEU   2          2HD2      LEU   2  25.439   8.945  -1.082
  376   3HD2  LEU   2          3HD2      LEU   2  23.833   9.198  -1.767
  377    H    LYS   3           H        LYS   3  27.232   4.843  -2.572
  378    HA   LYS   3           HA       LYS   3  28.621   2.939  -3.992
  379   1HB   LYS   3          1HB       LYS   3  26.446   2.534  -1.933
  380   2HB   LYS   3          2HB       LYS   3  27.525   1.263  -2.497
  381   1HG   LYS   3          1HG       LYS   3  29.340   2.123  -1.395
  382   2HG   LYS   3          2HG       LYS   3  28.702   3.769  -1.401
  383   1HD   LYS   3          1HD       LYS   3  27.406   1.568   0.182
  384   2HD   LYS   3          2HD       LYS   3  28.739   2.525   0.833
  385   1HE   LYS   3          1HE       LYS   3  26.095   3.590  -0.155
  386   2HE   LYS   3          2HE       LYS   3  26.588   3.435   1.530
  387   1HZ   LYS   3          1HZ       LYS   3  28.591   4.888   0.573
  388   2HZ   LYS   3          2HZ       LYS   3  27.353   5.417  -0.452
  389   3HZ   LYS   3          3HZ       LYS   3  27.188   5.569   1.226
  390    H    LYS   4           H        LYS   4  28.120   1.293  -5.391
  391    HA   LYS   4           HA       LYS   4  25.605   1.597  -6.831
  392   1HB   LYS   4          1HB       LYS   4  28.102   0.010  -7.447
  393   2HB   LYS   4          2HB       LYS   4  26.673   0.032  -8.471
  394   1HG   LYS   4          1HG       LYS   4  28.147   2.537  -7.724
  395   2HG   LYS   4          2HG       LYS   4  28.582   1.559  -9.127
  396   1HD   LYS   4          1HD       LYS   4  27.055   2.709 -10.274
  397   2HD   LYS   4          2HD       LYS   4  25.826   1.875  -9.322
  398   1HE   LYS   4          1HE       LYS   4  25.237   4.035  -8.888
  399   2HE   LYS   4          2HE       LYS   4  26.392   3.780  -7.580
  400   1HZ   LYS   4          1HZ       LYS   4  28.019   4.634  -9.493
  401   2HZ   LYS   4          2HZ       LYS   4  26.609   5.452  -9.948
  402   3HZ   LYS   4          3HZ       LYS   4  27.255   5.676  -8.401
  403    H    HIS   5           H        HIS   5  27.171  -0.572  -4.641
  404    HA   HIS   5           HA       HIS   5  25.481  -2.827  -5.226
  405   1HB   HIS   5          1HB       HIS   5  26.491  -3.685  -3.026
  406   2HB   HIS   5          2HB       HIS   5  27.594  -3.418  -4.371
  407    HD1  HIS   5           HD1      HIS   5  29.633  -2.155  -3.784
  408    HD2  HIS   5           HD2      HIS   5  26.490  -1.298  -1.203
  409    HE1  HIS   5           HE1      HIS   5  30.587  -0.595  -2.056
  410    HE2  HIS   5           HE2      HIS   5  28.667  -0.090  -0.504
  411    H    HIS   6           H        HIS   6  25.593  -0.255  -2.820
  412    HA   HIS   6           HA       HIS   6  23.446  -1.275  -1.244
  413   1HB   HIS   6          1HB       HIS   6  25.139   1.134  -1.274
  414   2HB   HIS   6          2HB       HIS   6  23.507   1.398  -0.667
  415    HD1  HIS   6           HD1      HIS   6  25.039  -1.915  -0.009
  416    HD2  HIS   6           HD2      HIS   6  24.606   1.735   1.930
  417    HE1  HIS   6           HE1      HIS   6  25.642  -2.354   2.392
  418    HE2  HIS   6           HE2      HIS   6  25.374  -0.131   3.548
  419    H    GLU   7           H        GLU   7  23.704   0.982  -3.931
  420    HA   GLU   7           HA       GLU   7  21.024   1.923  -3.781
  421   1HB   GLU   7          1HB       GLU   7  21.424   2.951  -5.900
  422   2HB   GLU   7          2HB       GLU   7  22.913   3.080  -4.975
  423   1HG   GLU   7          1HG       GLU   7  23.819   1.154  -6.195
  424   2HG   GLU   7          2HG       GLU   7  22.337   1.078  -7.146
  425    H    ASN   8           H        ASN   8  22.604  -0.754  -5.407
  426    HA   ASN   8           HA       ASN   8  20.466  -1.495  -7.091
  427   1HB   ASN   8          1HB       ASN   8  22.830  -2.309  -7.300
  428   2HB   ASN   8          2HB       ASN   8  22.554  -3.324  -5.888
  429   2HD2  ASN   8          2HD2      ASN   8  23.075  -5.105  -7.263
  430   1HD2  ASN   8          1HD2      ASN   8  21.879  -5.763  -8.321
  431    H    GLU   9           H        GLU   9  21.402  -2.525  -3.826
  432    HA   GLU   9           HA       GLU   9  19.394  -4.448  -3.467
  433   1HB   GLU   9          1HB       GLU   9  21.339  -4.215  -1.967
  434   2HB   GLU   9          2HB       GLU   9  20.700  -2.685  -1.383
  435   1HG   GLU   9          1HG       GLU   9  19.584  -3.769   0.180
  436   2HG   GLU   9          2HG       GLU   9  18.654  -4.592  -1.072
  437    H    ILE  10           H        ILE  10  19.447  -0.997  -2.551
  438    HA   ILE  10           HA       ILE  10  16.749  -1.041  -1.648
  439    HB   ILE  10           HB       ILE  10  16.874   1.376  -1.548
  440   1HG1  ILE  10          1HG1      ILE  10  19.477   1.025  -3.041
  441   2HG1  ILE  10          2HG1      ILE  10  18.052   1.909  -3.580
  442   1HG2  ILE  10          1HG2      ILE  10  18.082  -0.220   0.085
  443   2HG2  ILE  10          2HG2      ILE  10  19.556   0.431  -0.632
  444   3HG2  ILE  10          3HG2      ILE  10  18.414   1.510   0.171
  445   1HD1  ILE  10          1HD1      ILE  10  18.930   2.939  -1.057
  446   2HD1  ILE  10          2HD1      ILE  10  20.273   2.910  -2.203
  447   3HD1  ILE  10          3HD1      ILE  10  18.783   3.759  -2.615
  448    H    SER  11           H        SER  11  18.095  -1.127  -4.745
  449    HA   SER  11           HA       SER  11  16.071   0.370  -6.103
  450   1HB   SER  11          1HB       SER  11  18.462  -1.086  -6.823
  451   2HB   SER  11          2HB       SER  11  17.128  -1.565  -7.872
  452    HG   SER  11           HG       SER  11  17.165   0.336  -8.775
  453    H    HIS  12           H        HIS  12  16.621  -2.987  -5.200
  454    HA   HIS  12           HA       HIS  12  14.281  -3.969  -6.525
  455   1HB   HIS  12          1HB       HIS  12  15.567  -5.802  -6.259
  456   2HB   HIS  12          2HB       HIS  12  16.501  -5.057  -4.974
  457    HD1  HIS  12           HD1      HIS  12  13.516  -7.257  -5.558
  458    HD2  HIS  12           HD2      HIS  12  15.779  -5.787  -2.401
  459    HE1  HIS  12           HE1      HIS  12  12.785  -8.570  -3.541
  460    HE2  HIS  12           HE2      HIS  12  14.168  -7.665  -1.638
  461    H    HIS  13           H        HIS  13  15.081  -2.963  -3.214
  462    HA   HIS  13           HA       HIS  13  12.641  -3.707  -2.020
  463   1HB   HIS  13          1HB       HIS  13  14.416  -1.384  -1.265
  464   2HB   HIS  13          2HB       HIS  13  13.201  -2.136  -0.244
  465    HD1  HIS  13           HD1      HIS  13  14.188  -5.113  -1.101
  466    HD2  HIS  13           HD2      HIS  13  16.435  -2.007   0.485
  467    HE1  HIS  13           HE1      HIS  13  16.172  -6.216  -0.011
  468    HE2  HIS  13           HE2      HIS  13  17.526  -4.314   0.944
  469    H    ALA  14           H        ALA  14  13.608  -0.916  -3.900
  470    HA   ALA  14           HA       ALA  14  11.421   0.755  -3.256
  471   1HB   ALA  14          1HB       ALA  14  13.266   0.663  -5.634
  472   2HB   ALA  14          2HB       ALA  14  13.308   1.773  -4.265
  473   3HB   ALA  14          3HB       ALA  14  12.004   1.881  -5.448
  474    H    LYS  15           H        LYS  15  12.012  -1.331  -6.090
  475    HA   LYS  15           HA       LYS  15   9.490  -0.986  -7.261
  476   1HB   LYS  15          1HB       LYS  15  11.750  -2.829  -7.561
  477   2HB   LYS  15          2HB       LYS  15  10.199  -3.553  -7.961
  478   1HG   LYS  15          1HG       LYS  15   9.938  -1.276  -9.314
  479   2HG   LYS  15          2HG       LYS  15  11.699  -1.400  -9.322
  480   1HD   LYS  15          1HD       LYS  15   9.950  -3.713 -10.102
  481   2HD   LYS  15          2HD       LYS  15  10.415  -2.471 -11.266
  482   1HE   LYS  15          1HE       LYS  15  12.758  -3.242  -9.894
  483   2HE   LYS  15          2HE       LYS  15  11.910  -4.723 -10.339
  484   1HZ   LYS  15          1HZ       LYS  15  11.909  -2.866 -12.487
  485   2HZ   LYS  15          2HZ       LYS  15  13.491  -3.170 -11.969
  486   3HZ   LYS  15          3HZ       LYS  15  12.496  -4.453 -12.446
  487    H    GLU  16           H        GLU  16  10.479  -2.774  -4.490
  488    HA   GLU  16           HA       GLU  16   8.292  -4.623  -4.475
  489   1HB   GLU  16          1HB       GLU  16  10.709  -4.391  -3.121
  490   2HB   GLU  16          2HB       GLU  16   9.497  -4.118  -1.877
  491   1HG   GLU  16          1HG       GLU  16   9.141  -6.290  -1.735
  492   2HG   GLU  16          2HG       GLU  16   8.661  -6.333  -3.431
  493    H    ILE  17           H        ILE  17   9.005  -1.551  -2.819
  494    HA   ILE  17           HA       ILE  17   6.621  -1.594  -1.255
  495    HB   ILE  17           HB       ILE  17   7.233   0.501  -0.447
  496   1HG1  ILE  17          1HG1      ILE  17   9.167   1.741  -1.884
  497   2HG1  ILE  17          2HG1      ILE  17   8.282   0.958  -3.188
  498   1HG2  ILE  17          1HG2      ILE  17   9.217  -1.447  -0.764
  499   2HG2  ILE  17          2HG2      ILE  17  10.004   0.106  -1.036
  500   3HG2  ILE  17          3HG2      ILE  17   9.121  -0.184   0.458
  501   1HD1  ILE  17          1HD1      ILE  17   6.910   2.637  -1.119
  502   2HD1  ILE  17          2HD1      ILE  17   7.614   3.326  -2.583
  503   3HD1  ILE  17          3HD1      ILE  17   6.318   2.136  -2.703
  504    H    GLU  18           H        GLU  18   7.402  -0.541  -4.471
  505    HA   GLU  18           HA       GLU  18   5.079   1.100  -4.827
  506   1HB   GLU  18          1HB       GLU  18   7.009   1.544  -6.193
  507   2HB   GLU  18          2HB       GLU  18   7.034  -0.112  -6.785
  508   1HG   GLU  18          1HG       GLU  18   4.616   1.553  -7.266
  509   2HG   GLU  18          2HG       GLU  18   6.060   1.834  -8.238
  510    H    ARG  19           H        ARG  19   5.965  -2.235  -5.542
  511    HA   ARG  19           HA       ARG  19   3.647  -2.893  -7.024
  512   1HB   ARG  19          1HB       ARG  19   5.646  -4.272  -7.137
  513   2HB   ARG  19          2HB       ARG  19   5.523  -4.643  -5.423
  514   1HG   ARG  19          1HG       ARG  19   3.274  -5.687  -5.960
  515   2HG   ARG  19          2HG       ARG  19   3.744  -5.562  -7.657
  516   1HD   ARG  19          1HD       ARG  19   5.912  -6.759  -6.871
  517   2HD   ARG  19          2HD       ARG  19   4.940  -7.224  -5.476
  518    HE   ARG  19           HE       ARG  19   4.707  -8.219  -8.170
  519   1HH1  ARG  19          1HH1      ARG  19   3.110  -7.788  -5.106
  520   2HH1  ARG  19          2HH1      ARG  19   1.981  -9.076  -5.365
  521   1HH2  ARG  19          1HH2      ARG  19   3.226  -9.918  -8.522
  522   2HH2  ARG  19          2HH2      ARG  19   2.048 -10.288  -7.308
  523    H    LEU  20           H        LEU  20   4.480  -3.196  -3.590
  524    HA   LEU  20           HA       LEU  20   2.103  -4.487  -2.795
  525   1HB   LEU  20          1HB       LEU  20   4.461  -3.706  -1.578
  526   2HB   LEU  20          2HB       LEU  20   3.258  -2.703  -0.796
  527    HG   LEU  20           HG       LEU  20   3.411  -4.584   0.581
  528   1HD1  LEU  20          1HD1      LEU  20   1.052  -4.078  -0.751
  529   2HD1  LEU  20          2HD1      LEU  20   1.228  -5.828  -0.875
  530   3HD1  LEU  20          3HD1      LEU  20   1.238  -5.050   0.708
  531   1HD2  LEU  20          1HD2      LEU  20   3.710  -6.082  -1.979
  532   2HD2  LEU  20          2HD2      LEU  20   4.694  -6.142  -0.518
  533   3HD2  LEU  20          3HD2      LEU  20   3.112  -6.922  -0.549
  534    H    GLN  21           H        GLN  21   2.997  -1.111  -3.175
  535    HA   GLN  21           HA       GLN  21   0.681  -0.003  -1.972
  536   1HB   GLN  21          1HB       GLN  21   2.812   1.024  -3.808
  537   2HB   GLN  21          2HB       GLN  21   1.370   1.992  -3.541
  538   1HG   GLN  21          1HG       GLN  21   1.814   1.904  -1.110
  539   2HG   GLN  21          2HG       GLN  21   3.316   1.046  -1.451
  540   2HE2  GLN  21          2HE2      GLN  21   4.174   2.414  -3.687
  541   1HE2  GLN  21          1HE2      GLN  21   4.572   4.036  -3.246
  542    H    LYS  22           H        LYS  22   1.412  -1.254  -5.135
  543    HA   LYS  22           HA       LYS  22  -0.742  -0.092  -6.549
  544   1HB   LYS  22          1HB       LYS  22   1.119  -1.054  -7.750
  545   2HB   LYS  22          2HB       LYS  22   0.822  -2.632  -7.035
  546   1HG   LYS  22          1HG       LYS  22  -0.021  -2.770  -9.213
  547   2HG   LYS  22          2HG       LYS  22  -1.440  -2.565  -8.184
  548   1HD   LYS  22          1HD       LYS  22  -0.241  -0.064  -9.154
  549   2HD   LYS  22          2HD       LYS  22  -0.923  -1.097 -10.412
  550   1HE   LYS  22          1HE       LYS  22  -2.396  -0.265  -7.917
  551   2HE   LYS  22          2HE       LYS  22  -2.521   0.573  -9.463
  552   1HZ   LYS  22          1HZ       LYS  22  -3.188  -2.290  -9.045
  553   2HZ   LYS  22          2HZ       LYS  22  -4.322  -1.036  -9.084
  554   3HZ   LYS  22          3HZ       LYS  22  -3.413  -1.400 -10.465
  555    H    GLU  23           H        GLU  23  -0.363  -3.209  -4.895
  556    HA   GLU  23           HA       GLU  23  -2.882  -4.268  -5.511
  557   1HB   GLU  23          1HB       GLU  23  -0.668  -5.064  -4.017
  558   2HB   GLU  23          2HB       GLU  23  -1.979  -4.998  -2.847
  559   1HG   GLU  23          1HG       GLU  23  -2.402  -7.079  -3.528
  560   2HG   GLU  23          2HG       GLU  23  -3.180  -6.294  -4.902
  561    H    ILE  24           H        ILE  24  -1.817  -2.344  -2.720
  562    HA   ILE  24           HA       ILE  24  -4.268  -2.351  -1.356
  563    HB   ILE  24           HB       ILE  24  -3.378  -0.876   0.126
  564   1HG1  ILE  24          1HG1      ILE  24  -1.704   0.976  -0.626
  565   2HG1  ILE  24          2HG1      ILE  24  -2.332   0.652  -2.240
  566   1HG2  ILE  24          1HG2      ILE  24  -1.584  -2.617  -0.695
  567   2HG2  ILE  24          2HG2      ILE  24  -0.716  -1.152  -1.149
  568   3HG2  ILE  24          3HG2      ILE  24  -1.207  -1.402   0.523
  569   1HD1  ILE  24          1HD1      ILE  24  -4.446   0.979  -0.282
  570   2HD1  ILE  24          2HD1      ILE  24  -3.393   2.393  -0.391
  571   3HD1  ILE  24          3HD1      ILE  24  -4.201   1.782  -1.835
  572    H    GLU  25           H        GLU  25  -3.040  -0.344  -3.954
  573    HA   GLU  25           HA       GLU  25  -5.040   1.620  -3.984
  574   1HB   GLU  25          1HB       GLU  25  -3.062   0.574  -5.947
  575   2HB   GLU  25          2HB       GLU  25  -4.390   1.542  -6.572
  576   1HG   GLU  25          1HG       GLU  25  -3.680   3.192  -4.671
  577   2HG   GLU  25          2HG       GLU  25  -2.148   2.326  -4.779
  578    H    ARG  26           H        ARG  26  -4.848  -1.569  -5.489
  579    HA   ARG  26           HA       ARG  26  -7.120  -1.438  -7.101
  580   1HB   ARG  26          1HB       ARG  26  -5.561  -3.295  -7.254
  581   2HB   ARG  26          2HB       ARG  26  -5.946  -3.796  -5.614
  582   1HG   ARG  26          1HG       ARG  26  -8.269  -3.632  -7.382
  583   2HG   ARG  26          2HG       ARG  26  -7.061  -4.819  -7.877
  584   1HD   ARG  26          1HD       ARG  26  -7.769  -4.766  -5.007
  585   2HD   ARG  26          2HD       ARG  26  -9.014  -5.345  -6.113
  586    HE   ARG  26           HE       ARG  26  -6.546  -6.664  -5.424
  587   1HH1  ARG  26          1HH1      ARG  26  -9.120  -6.398  -7.754
  588   2HH1  ARG  26          2HH1      ARG  26  -8.882  -7.990  -8.394
  589   1HH2  ARG  26          1HH2      ARG  26  -6.223  -8.762  -6.258
  590   2HH2  ARG  26          2HH2      ARG  26  -7.234  -9.335  -7.543
  591    H    HIS  27           H        HIS  27  -6.767  -2.440  -3.707
  592    HA   HIS  27           HA       HIS  27  -9.523  -2.965  -3.304
  593   1HB   HIS  27          1HB       HIS  27  -7.141  -3.152  -1.791
  594   2HB   HIS  27          2HB       HIS  27  -8.227  -2.109  -0.880
  595    HD1  HIS  27           HD1      HIS  27 -10.476  -3.172  -0.063
  596    HD2  HIS  27           HD2      HIS  27  -7.844  -5.832  -1.871
  597    HE1  HIS  27           HE1      HIS  27 -11.331  -5.465   0.519
  598    HE2  HIS  27           HE2      HIS  27  -9.724  -7.060  -0.585
  599    H    LYS  28           H        LYS  28  -7.583  -0.102  -3.353
  600    HA   LYS  28           HA       LYS  28  -9.358   1.577  -1.902
  601   1HB   LYS  28          1HB       LYS  28  -6.816   1.873  -2.534
  602   2HB   LYS  28          2HB       LYS  28  -7.484   2.663  -3.956
  603   1HG   LYS  28          1HG       LYS  28  -8.892   3.836  -1.927
  604   2HG   LYS  28          2HG       LYS  28  -7.301   3.597  -1.201
  605   1HD   LYS  28          1HD       LYS  28  -7.824   4.950  -3.847
  606   2HD   LYS  28          2HD       LYS  28  -7.510   5.782  -2.323
  607   1HE   LYS  28          1HE       LYS  28  -5.299   4.920  -2.212
  608   2HE   LYS  28          2HE       LYS  28  -5.604   3.790  -3.530
  609   1HZ   LYS  28          1HZ       LYS  28  -5.690   6.736  -3.862
  610   2HZ   LYS  28          2HZ       LYS  28  -4.303   5.811  -4.144
  611   3HZ   LYS  28          3HZ       LYS  28  -5.691   5.562  -5.079
  612    H    GLN  29           H        GLN  29  -9.154   0.494  -5.181
  613    HA   GLN  29           HA       GLN  29 -10.806   2.548  -6.295
  614   1HB   GLN  29          1HB       GLN  29  -9.108   0.946  -7.474
  615   2HB   GLN  29          2HB       GLN  29 -10.474  -0.159  -7.542
  616   1HG   GLN  29          1HG       GLN  29 -11.590   1.087  -9.074
  617   2HG   GLN  29          2HG       GLN  29 -10.917   2.609  -8.492
  618   2HE2  GLN  29          2HE2      GLN  29  -9.427  -0.396  -9.642
  619   1HE2  GLN  29          1HE2      GLN  29  -8.486   0.344 -10.887
  620    H    SER  30           H        SER  30 -11.310  -0.795  -5.231
  621    HA   SER  30           HA       SER  30 -14.046  -0.923  -5.946
  622   1HB   SER  30          1HB       SER  30 -13.911  -2.729  -3.953
  623   2HB   SER  30          2HB       SER  30 -13.293  -3.045  -5.574
  624    HG   SER  30           HG       SER  30 -11.669  -3.552  -4.167
  625    H    ILE  31           H        ILE  31 -12.403  -0.035  -2.936
  626    HA   ILE  31           HA       ILE  31 -14.797   0.303  -1.423
  627    HB   ILE  31           HB       ILE  31 -12.750  -0.134  -0.259
  628   1HG1  ILE  31          1HG1      ILE  31 -12.575   1.931   1.237
  629   2HG1  ILE  31          2HG1      ILE  31 -13.811   2.652   0.208
  630   1HG2  ILE  31          1HG2      ILE  31 -11.603   1.532  -2.158
  631   2HG2  ILE  31          2HG2      ILE  31 -11.409   2.401  -0.637
  632   3HG2  ILE  31          3HG2      ILE  31 -10.788   0.762  -0.798
  633   1HD1  ILE  31          1HD1      ILE  31 -15.148   0.515   0.730
  634   2HD1  ILE  31          2HD1      ILE  31 -14.004   0.332   2.061
  635   3HD1  ILE  31          3HD1      ILE  31 -15.017   1.773   1.961
  636    H    LYS  32           H        LYS  32 -12.854   2.389  -3.455
  637    HA   LYS  32           HA       LYS  32 -14.125   4.817  -2.615
  638   1HB   LYS  32          1HB       LYS  32 -12.240   4.075  -4.828
  639   2HB   LYS  32          2HB       LYS  32 -13.019   5.651  -4.820
  640   1HG   LYS  32          1HG       LYS  32 -11.457   4.617  -2.474
  641   2HG   LYS  32          2HG       LYS  32 -10.709   5.511  -3.798
  642   1HD   LYS  32          1HD       LYS  32 -12.084   7.429  -3.358
  643   2HD   LYS  32          2HD       LYS  32 -13.028   6.535  -2.165
  644   1HE   LYS  32          1HE       LYS  32 -11.439   7.992  -1.057
  645   2HE   LYS  32          2HE       LYS  32 -11.019   6.304  -0.772
  646   1HZ   LYS  32          1HZ       LYS  32  -9.415   6.541  -2.664
  647   2HZ   LYS  32          2HZ       LYS  32  -9.704   8.207  -2.625
  648   3HZ   LYS  32          3HZ       LYS  32  -9.027   7.435  -1.280
  649    H    LYS  33           H        LYS  33 -14.893   2.305  -4.838
  650    HA   LYS  33           HA       LYS  33 -16.621   3.941  -6.474
  651   1HB   LYS  33          1HB       LYS  33 -15.332   1.519  -6.839
  652   2HB   LYS  33          2HB       LYS  33 -17.020   1.058  -6.669
  653   1HG   LYS  33          1HG       LYS  33 -17.665   2.421  -8.506
  654   2HG   LYS  33          2HG       LYS  33 -16.070   3.175  -8.580
  655   1HD   LYS  33          1HD       LYS  33 -15.124   1.388  -9.625
  656   2HD   LYS  33          2HD       LYS  33 -16.183   0.224  -8.828
  657   1HE   LYS  33          1HE       LYS  33 -17.873   0.505 -10.367
  658   2HE   LYS  33          2HE       LYS  33 -17.343   2.128 -10.808
  659   1HZ   LYS  33          1HZ       LYS  33 -15.264   0.514 -11.535
  660   2HZ   LYS  33          2HZ       LYS  33 -16.631  -0.387 -11.960
  661   3HZ   LYS  33          3HZ       LYS  33 -16.423   1.175 -12.575
  662    H    LEU  34           H        LEU  34 -16.990   1.603  -3.842
  663    HA   LEU  34           HA       LEU  34 -19.876   1.753  -3.994
  664   1HB   LEU  34          1HB       LEU  34 -18.729  -0.345  -3.385
  665   2HB   LEU  34          2HB       LEU  34 -18.104   0.428  -1.943
  666    HG   LEU  34           HG       LEU  34 -20.403   0.711  -1.103
  667   1HD1  LEU  34          1HD1      LEU  34 -21.125  -0.714  -3.653
  668   2HD1  LEU  34          2HD1      LEU  34 -22.208  -0.577  -2.267
  669   3HD1  LEU  34          3HD1      LEU  34 -21.666   0.875  -3.107
  670   1HD2  LEU  34          1HD2      LEU  34 -18.896  -1.605  -1.200
  671   2HD2  LEU  34          2HD2      LEU  34 -20.264  -1.288  -0.132
  672   3HD2  LEU  34          3HD2      LEU  34 -20.514  -2.132  -1.660
  673    H    LYS  35           H        LYS  35 -17.306   3.363  -2.368
  674    HA   LYS  35           HA       LYS  35 -19.039   4.446  -0.301
  675   1HB   LYS  35          1HB       LYS  35 -16.765   3.885   0.339
  676   2HB   LYS  35          2HB       LYS  35 -16.119   4.915  -0.932
  677   1HG   LYS  35          1HG       LYS  35 -17.381   6.811   0.279
  678   2HG   LYS  35          2HG       LYS  35 -17.425   5.690   1.642
  679   1HD   LYS  35          1HD       LYS  35 -14.973   6.721   0.219
  680   2HD   LYS  35          2HD       LYS  35 -15.499   7.127   1.854
  681   1HE   LYS  35          1HE       LYS  35 -15.059   4.932   2.636
  682   2HE   LYS  35          2HE       LYS  35 -14.852   4.317   0.995
  683   1HZ   LYS  35          1HZ       LYS  35 -13.069   6.354   2.206
  684   2HZ   LYS  35          2HZ       LYS  35 -12.752   4.693   2.257
  685   3HZ   LYS  35          3HZ       LYS  35 -12.826   5.496   0.770
  686    H    GLN  36           H        GLN  36 -17.709   5.299  -3.392
  687    HA   GLN  36           HA       GLN  36 -18.326   8.113  -3.123
  688   1HB   GLN  36          1HB       GLN  36 -16.419   7.522  -4.477
  689   2HB   GLN  36          2HB       GLN  36 -17.397   6.447  -5.467
  690   1HG   GLN  36          1HG       GLN  36 -18.231   8.126  -6.713
  691   2HG   GLN  36          2HG       GLN  36 -18.280   9.253  -5.359
  692   2HE2  GLN  36          2HE2      GLN  36 -17.470  10.251  -7.672
  693   1HE2  GLN  36          1HE2      GLN  36 -15.763  10.513  -7.690
  694    H    SER  37           H        SER  37 -19.767   5.229  -4.475
  695    HA   SER  37           HA       SER  37 -21.805   6.609  -5.944
  696   1HB   SER  37          1HB       SER  37 -22.840   4.299  -6.073
  697   2HB   SER  37          2HB       SER  37 -21.205   4.428  -6.720
  698    HG   SER  37           HG       SER  37 -21.769   3.593  -4.072
  699    H    GLU  38           H        GLU  38 -21.401   5.503  -2.688
  700    HA   GLU  38           HA       GLU  38 -24.175   5.471  -1.997
  701   1HB   GLU  38          1HB       GLU  38 -22.260   4.265  -0.801
  702   2HB   GLU  38          2HB       GLU  38 -21.886   5.820  -0.070
  703   1HG   GLU  38          1HG       GLU  38 -24.567   5.587   0.405
  704   2HG   GLU  38          2HG       GLU  38 -24.011   3.919   0.539
  705    H    ASP  39           H        ASP  39 -21.662   7.881  -2.077
  706    HA   ASP  39           HA       ASP  39 -23.643   9.929  -1.451
  707   1HB   ASP  39          1HB       ASP  39 -22.167   9.155   0.606
  708   2HB   ASP  39          2HB       ASP  39 -20.972  10.210  -0.142
  709    H    ASP  40           H        ASP  40 -22.647   9.318  -3.937
  710    HA   ASP  40           HA       ASP  40 -20.358  10.565  -4.821
  711   1HB   ASP  40          1HB       ASP  40 -22.269   9.203  -6.071
  712   2HB   ASP  40          2HB       ASP  40 -22.804  10.823  -6.507
  713    H    ASP  41           H        ASP  41 -19.804  12.611  -5.506
  714    HA   ASP  41           HA       ASP  41 -21.507  14.762  -4.478
  715   1HB   ASP  41          1HB       ASP  41 -18.646  14.317  -4.632
  716   2HB   ASP  41          2HB       ASP  41 -19.085  15.869  -5.340

  No H/Q in entry =         716