*HEADER    ANTIMICROBIAL PROTEIN                   21-MAY-19   6RSG              
*TITLE     NMR STRUCTURE OF PLEUROCIDIN VA IN SDS MICELLES                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PLEUROCIDIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: ANALOGUE OF THE ANTIMICROBIAL PEPTIDE PLEUROCIDIN,    
*COMPND   6 ORIGINALLY EXTRACTED FROM WINTER FLOUNDER FISH, OBTAINED THROUGH     
*COMPND   7 SEQUENCE OPTIMISATION.                                               
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PSEUDOPLEURONECTES AMERICANUS;                  
*SOURCE   4 ORGANISM_COMMON: WINTER FLOUNDER;                                    
*SOURCE   5 ORGANISM_TAXID: 8265                                                 
*KEYWDS    AMP, PLEUROCIDIN ANALOGUE, WINTER FLOUNDER, SDS MICELLES, SEQUENCE    
*KEYWDS   2 OPTIMIZATION, ANTIMICROBIAL PROTEIN                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    50                                                                    
*AUTHOR    G.MANZO,A.J.MASON                                                     
*REVDAT   1   09-DEC-20 6RSG    0                                                
# Restraints file 1: noes.tab
VARS INDEX GROUP RESID_I RESNAME_I ATOMNAME_I SEGNAME_I RESID_J RESNAME_J ATOMNAME_J SEGNAME_J D_LO D_HI FC W S
FORMAT %4d %3d  %5d %6s %6s %4s  %5d %6s %6s %4s  %9.3f %9.3f %.2f %.2f %.2f

 
   1  1   11 HIS  HA      A   12 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
   2  1   11 HIS  HA      A   16 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
   3  1   15 HIS  HA      A   17 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
   4  1   13 GLY  HA1     A   14 LYS   HN     A    0.000   3.300 100.0 1.0 1.0
   4  1   13 GLY  HA2     A   14 LYS   HN     A    0.000   3.300 100.0 1.0 1.0
   5  1    4 SER  HB1     A    5 PHE   HN     A    0.000   5.000 100.0 1.0 1.0
   5  1    4 SER  HB2     A    5 PHE   HN     A    0.000   5.000 100.0 1.0 1.0
   5  2    4 SER  HB1     A    6 PHE   HN     A    0.000   5.000 100.0 1.0 1.0
   5  2    4 SER  HB2     A    6 PHE   HN     A    0.000   5.000 100.0 1.0 1.0
   6  1   19 ALA  HA      A   23 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
   6  2   20 ALA  HA      A   23 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
   7  1   16 ALA  HA      A   18 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
   8  1   17 GLY  HA1     A   18 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
   8  1   17 GLY  HA2     A   18 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
   9  1   12 ALA  HA      A   13 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  10  1    5 PHE  HB1     A    7 LYS   HN     A    0.000   3.300 100.0 1.0 1.0
  10  2    5 PHE  HB2     A    7 LYS   HN     A    0.000   3.300 100.0 1.0 1.0
  10  3    5 PHE  HB1     A    8 LYS   HN     A    0.000   3.300 100.0 1.0 1.0
  10  4    5 PHE  HB2     A    8 LYS   HN     A    0.000   3.300 100.0 1.0 1.0
  10  5    6 PHE  HB1     A    7 LYS   HN     A    0.000   3.300 100.0 1.0 1.0
  10  6    6 PHE  HB2     A    7 LYS   HN     A    0.000   3.300 100.0 1.0 1.0
  10  7    6 PHE  HB1     A    8 LYS   HN     A    0.000   3.300 100.0 1.0 1.0
  10  8    6 PHE  HB2     A    8 LYS   HN     A    0.000   3.300 100.0 1.0 1.0
  11  1   11 HIS  HB1     A   16 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  11  2   11 HIS  HB2     A   16 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  12  1   11 HIS  HB1     A   12 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  12  2   11 HIS  HB2     A   12 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  13  1   12 ALA  HN      A   13 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  14  1   14 LYS  HN      A   13 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  15  1    2 TRP  HN      A    4 SER   HN     A    0.000   5.000 100.0 1.0 1.0
  16  1   17 GLY  HN      A   21 LEU   HN     A    0.000   3.300 100.0 1.0 1.0
  17  1   17 GLY  HN      A   14 LYS   HN     A    0.000   3.300 100.0 1.0 1.0
  18  1   17 GLY  HN      A   19 ALA   HN     A    0.000   3.300 100.0 1.0 1.0
  18  2   17 GLY  HN      A   20 ALA   HN     A    0.000   3.300 100.0 1.0 1.0
  19  1   19 ALA  HN      A   18 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
  19  2   20 ALA  HN      A   18 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
  20  1   19 ALA  HN      A   23 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  20  2   20 ALA  HN      A   23 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  21  1   19 ALA  HN      A   18 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
  21  2   20 ALA  HN      A   18 LYS   HN     A    0.000   5.000 100.0 1.0 1.0


  
   
  
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  54.108   7.849 -10.323
    2    H2   GLY   1           HT2      GLY   1  54.090   9.422  -9.681
    3    H3   GLY   1           HT3      GLY   1  52.633   8.586  -9.936
    4    HA2  GLY   1           HA1      GLY   1  53.502   8.737  -7.599
    5    HA3  GLY   1           HA2      GLY   1  52.957   7.161  -8.207
    6    H    TRP   2           HN       TRP   2  54.869   7.829  -6.055
    7    HA   TRP   2           HA       TRP   2  56.862   5.852  -6.716
    8    HB2  TRP   2           HB2      TRP   2  58.855   7.387  -6.569
    9    HB3  TRP   2           HB1      TRP   2  57.893   7.584  -8.053
   10    HD1  TRP   2           HD1      TRP   2  56.684   9.849  -8.437
   11    HE1  TRP   2           HE1      TRP   2  56.657  12.142  -7.210
   12    HE3  TRP   2           HE3      TRP   2  59.015   8.467  -4.094
   13    HZ2  TRP   2           HZ2      TRP   2  57.541  13.199  -4.681
   14    HZ3  TRP   2           HZ3      TRP   2  59.413  10.135  -2.287
   15    HH2  TRP   2           HH2      TRP   2  58.679  12.498  -2.578
   16    H    GLY   3           HN       GLY   3  55.584   8.421  -4.715
   17    HA2  GLY   3           HA1      GLY   3  57.254   8.081  -2.431
   18    HA3  GLY   3           HA2      GLY   3  55.599   8.718  -2.422
   19    H    SER   4           HN       SER   4  54.731   6.092  -3.751
   20    HA   SER   4           HA       SER   4  55.262   4.003  -1.825
   21    HB2  SER   4           HB2      SER   4  53.947   5.194  -0.246
   22    HB3  SER   4           HB1      SER   4  52.756   5.676  -1.475
   23    HG   SER   4           HG       SER   4  53.240   3.102  -0.369
   24    H    PHE   5           HN       PHE   5  54.559   2.050  -2.554
   25    HA   PHE   5           HA       PHE   5  53.540   1.971  -5.283
   26    HB2  PHE   5           HB2      PHE   5  53.868  -0.295  -3.278
   27    HB3  PHE   5           HB1      PHE   5  53.706  -0.448  -5.044
   28    HD1  PHE   5           HD1      PHE   5  55.541   0.177  -6.545
   29    HD2  PHE   5           HD2      PHE   5  55.931   0.585  -2.266
   30    HE1  PHE   5           HE1      PHE   5  58.002   0.475  -6.798
   31    HE2  PHE   5           HE2      PHE   5  58.392   0.884  -2.519
   32    HZ   PHE   5           HZ       PHE   5  59.421   0.872  -4.788
   33    H    PHE   6           HN       PHE   6  51.689   0.451  -5.841
   34    HA   PHE   6           HA       PHE   6  49.282   1.505  -4.684
   35    HB2  PHE   6           HB2      PHE   6  49.782  -0.934  -6.431
   36    HB3  PHE   6           HB1      PHE   6  48.166  -0.311  -6.020
   37    HD1  PHE   6           HD1      PHE   6  47.441   1.939  -6.798
   38    HD2  PHE   6           HD2      PHE   6  51.221   0.237  -7.999
   39    HE1  PHE   6           HE1      PHE   6  47.617   3.620  -8.629
   40    HE2  PHE   6           HE2      PHE   6  51.395   1.917  -9.830
   41    HZ   PHE   6           HZ       PHE   6  49.556   3.557 -10.193
   42    H    LYS   7           HN       LYS   7  50.253  -1.950  -4.765
   43    HA   LYS   7           HA       LYS   7  49.798  -3.652  -3.253
   44    HB2  LYS   7           HB2      LYS   7  50.433  -1.365  -1.349
   45    HB3  LYS   7           HB1      LYS   7  50.240  -3.057  -0.833
   46    HG2  LYS   7           HG2      LYS   7  52.084  -3.771  -2.233
   47    HG3  LYS   7           HG1      LYS   7  52.195  -2.165  -2.993
   48    HD2  LYS   7           HD2      LYS   7  52.891  -1.151  -0.895
   49    HD3  LYS   7           HD1      LYS   7  52.602  -2.672  -0.014
   50    HE2  LYS   7           HE2      LYS   7  54.372  -3.790  -1.299
   51    HE3  LYS   7           HE1      LYS   7  54.626  -2.320  -2.268
   52    HZ1  LYS   7           HZ1      LYS   7  55.633  -2.972   0.317
   53    HZ2  LYS   7           HZ2      LYS   7  54.776  -1.505   0.358
   54    HZ3  LYS   7           HZ3      LYS   7  56.073  -1.704  -0.720
   55    H    LYS   8           HN       LYS   8  48.650  -1.369  -0.858
   56    HA   LYS   8           HA       LYS   8  46.072  -2.735  -0.749
   57    HB2  LYS   8           HB2      LYS   8  47.369  -1.708   1.217
   58    HB3  LYS   8           HB1      LYS   8  46.830  -0.126   0.614
   59    HG2  LYS   8           HG2      LYS   8  45.095  -0.589   2.114
   60    HG3  LYS   8           HG1      LYS   8  44.412  -1.303   0.637
   61    HD2  LYS   8           HD2      LYS   8  45.462  -3.523   1.368
   62    HD3  LYS   8           HD1      LYS   8  45.826  -2.740   2.923
   63    HE2  LYS   8           HE2      LYS   8  43.446  -2.264   3.281
   64    HE3  LYS   8           HE1      LYS   8  43.047  -2.944   1.686
   65    HZ1  LYS   8           HZ1      LYS   8  44.603  -4.771   3.209
   66    HZ2  LYS   8           HZ2      LYS   8  43.058  -4.979   2.535
   67    HZ3  LYS   8           HZ3      LYS   8  43.228  -4.305   4.085
   68    H    ALA   9           HN       ALA   9  46.875   0.747  -1.160
   69    HA   ALA   9           HA       ALA   9  45.112   0.982  -3.476
   70    HB1  ALA   9           HB1      ALA   9  44.241   2.298  -0.880
   71    HB2  ALA   9           HB2      ALA   9  43.460   0.876  -1.614
   72    HB3  ALA   9           HB3      ALA   9  43.448   2.439  -2.466
   73    H    ALA  10           HN       ALA  10  45.197   3.058  -4.452
   74    HA   ALA  10           HA       ALA  10  47.731   4.409  -3.960
   75    HB1  ALA  10           HB1      ALA  10  46.927   5.930  -5.781
   76    HB2  ALA  10           HB2      ALA  10  45.388   5.036  -5.785
   77    HB3  ALA  10           HB3      ALA  10  46.900   4.206  -6.221
   78    H    HIS  11           HN       HIS  11  47.866   6.810  -3.765
   79    HA   HIS  11           HA       HIS  11  47.551   8.653  -2.391
   80    HB2  HIS  11           HB2      HIS  11  44.582   8.112  -2.735
   81    HB3  HIS  11           HB1      HIS  11  45.393   9.676  -2.477
   82    HD1  HIS  11           HD1      HIS  11  43.588   9.221  -4.977
   83    HD2  HIS  11           HD2      HIS  11  47.760   8.697  -4.906
   84    HE1  HIS  11           HE1      HIS  11  44.419   9.399  -7.387
   85    H    ALA  12           HN       ALA  12  47.892   6.145  -1.046
   86    HA   ALA  12           HA       ALA  12  46.008   5.672   1.018
   87    HB1  ALA  12           HB1      ALA  12  49.027   5.365   0.959
   88    HB2  ALA  12           HB2      ALA  12  47.799   4.119   0.624
   89    HB3  ALA  12           HB3      ALA  12  47.995   4.757   2.274
   90    H    GLY  13           HN       GLY  13  46.724   5.991   3.447
   91    HA2  GLY  13           HA1      GLY  13  46.470   8.817   3.947
   92    HA3  GLY  13           HA2      GLY  13  46.730   7.549   5.161
   93    H    LYS  14           HN       LYS  14  48.391   9.510   2.680
   94    HA   LYS  14           HA       LYS  14  50.530  10.181   4.503
   95    HB2  LYS  14           HB2      LYS  14  51.101   7.773   3.954
   96    HB3  LYS  14           HB1      LYS  14  51.312   8.280   2.261
   97    HG2  LYS  14           HG2      LYS  14  53.012   9.950   2.990
   98    HG3  LYS  14           HG1      LYS  14  52.827   9.383   4.668
   99    HD2  LYS  14           HD2      LYS  14  53.438   7.060   3.860
  100    HD3  LYS  14           HD1      LYS  14  53.830   7.779   2.280
  101    HE2  LYS  14           HE2      LYS  14  55.897   7.662   3.512
  102    HE3  LYS  14           HE1      LYS  14  55.396   9.370   3.522
  103    HZ1  LYS  14           HZ1      LYS  14  54.495   9.090   5.714
  104    HZ2  LYS  14           HZ2      LYS  14  56.101   8.538   5.720
  105    HZ3  LYS  14           HZ3      LYS  14  54.818   7.425   5.702
  106    H    HIS  15           HN       HIS  15  50.389   9.427   0.988
  107    HA   HIS  15           HA       HIS  15  51.602  11.983   0.312
  108    HB2  HIS  15           HB2      HIS  15  51.813   9.865  -1.041
  109    HB3  HIS  15           HB1      HIS  15  50.106  10.059  -1.510
  110    HD1  HIS  15           HD1      HIS  15  53.449  11.932  -1.686
  111    HD2  HIS  15           HD2      HIS  15  49.696  11.874  -3.586
  112    HE1  HIS  15           HE1      HIS  15  53.596  13.485  -3.711
  113    H    ALA  16           HN       ALA  16  48.470  11.059   1.213
  114    HA   ALA  16           HA       ALA  16  47.427  13.713   0.510
  115    HB1  ALA  16           HB1      ALA  16  47.108  12.409  -1.600
  116    HB2  ALA  16           HB2      ALA  16  45.581  12.944  -0.858
  117    HB3  ALA  16           HB3      ALA  16  46.110  11.253  -0.690
  118    H    GLY  17           HN       GLY  17  47.907  12.630   2.976
  119    HA2  GLY  17           HA1      GLY  17  45.517  11.308   4.016
  120    HA3  GLY  17           HA2      GLY  17  46.892  11.926   4.951
  121    H    LYS  18           HN       LYS  18  44.400  13.357   2.789
  122    HA   LYS  18           HA       LYS  18  43.074  15.236   3.099
  123    HB2  LYS  18           HB2      LYS  18  43.177  14.415   6.028
  124    HB3  LYS  18           HB1      LYS  18  41.942  15.433   5.250
  125    HG2  LYS  18           HG2      LYS  18  41.250  13.570   3.817
  126    HG3  LYS  18           HG1      LYS  18  42.548  12.545   4.476
  127    HD2  LYS  18           HD2      LYS  18  41.533  12.797   6.757
  128    HD3  LYS  18           HD1      LYS  18  40.188  13.702   6.021
  129    HE2  LYS  18           HE2      LYS  18  40.982  10.815   5.459
  130    HE3  LYS  18           HE1      LYS  18  39.495  11.384   6.254
  131    HZ1  LYS  18           HZ1      LYS  18  38.692  11.213   4.170
  132    HZ2  LYS  18           HZ2      LYS  18  40.213  11.369   3.430
  133    HZ3  LYS  18           HZ3      LYS  18  39.385  12.748   3.974
  134    H    ALA  19           HN       ALA  19  46.157  15.225   3.774
  135    HA   ALA  19           HA       ALA  19  46.268  18.091   4.263
  136    HB1  ALA  19           HB1      ALA  19  47.296  16.243   6.445
  137    HB2  ALA  19           HB2      ALA  19  45.869  17.300   6.570
  138    HB3  ALA  19           HB3      ALA  19  47.491  18.010   6.385
  139    H    ALA  20           HN       ALA  20  47.496  15.092   3.318
  140    HA   ALA  20           HA       ALA  20  49.478  14.453   2.300
  141    HB1  ALA  20           HB1      ALA  20  49.880  17.416   1.792
  142    HB2  ALA  20           HB2      ALA  20  48.767  16.395   0.848
  143    HB3  ALA  20           HB3      ALA  20  50.514  16.051   0.842
  144    H    LEU  21           HN       LEU  21  50.808  13.636   3.813
  145    HA   LEU  21           HA       LEU  21  52.583  13.542   5.296
  146    HB2  LEU  21           HB2      LEU  21  53.399  16.291   4.292
  147    HB3  LEU  21           HB1      LEU  21  54.436  15.005   4.948
  148    HG   LEU  21           HG       LEU  21  52.850  14.849   2.342
  149   HD11  LEU  21          HD11      LEU  21  54.791  16.413   2.279
  150   HD12  LEU  21          HD12      LEU  21  55.057  14.976   1.263
  151   HD13  LEU  21          HD13      LEU  21  55.847  15.100   2.853
  152   HD21  LEU  21          HD21      LEU  21  54.404  12.787   2.058
  153   HD22  LEU  21          HD22      LEU  21  53.040  12.621   3.185
  154   HD23  LEU  21          HD23      LEU  21  54.681  12.908   3.812
  155    H    THR  22           HN       THR  22  52.170  17.105   5.323
  156    HA   THR  22           HA       THR  22  50.668  17.122   7.791
  157    HB   THR  22           HB       THR  22  52.729  16.406   8.862
  158    HG1  THR  22           HG1      THR  22  52.902  19.161   9.253
  159   HG21  THR  22          HG21      THR  22  54.235  17.042   6.966
  160   HG22  THR  22          HG22      THR  22  54.846  17.590   8.545
  161   HG23  THR  22          HG23      THR  22  54.065  18.748   7.442
  162    H    HIS  23           HN       HIS  23  50.862  18.344   5.078
  163    HA   HIS  23           HA       HIS  23  51.567  21.168   5.601
  164    HB2  HIS  23           HB2      HIS  23  50.252  19.854   3.188
  165    HB3  HIS  23           HB1      HIS  23  50.899  21.511   3.264
  166    HD1  HIS  23           HD1      HIS  23  53.404  20.425   5.140
  167    HD2  HIS  23           HD2      HIS  23  52.332  19.245   1.247
  168    HE1  HIS  23           HE1      HIS  23  55.480  19.408   4.053
  169    H    TYR  24           HN       TYR  24  50.126  22.915   5.571
  170    HA   TYR  24           HA       TYR  24  47.272  22.559   5.303
  171    HB2  TYR  24           HB2      TYR  24  47.684  21.420   7.524
  172    HB3  TYR  24           HB1      TYR  24  48.249  22.986   8.152
  173    HD1  TYR  24           HD1      TYR  24  45.325  21.095   6.867
  174    HD2  TYR  24           HD2      TYR  24  46.697  24.836   8.525
  175    HE1  TYR  24           HE1      TYR  24  42.964  21.781   7.271
  176    HE2  TYR  24           HE2      TYR  24  44.336  25.523   8.930
  177    HH   TYR  24           HH       TYR  24  41.610  23.414   7.978
  178    H    LEU  25           HN       LEU  25  50.101  24.330   5.588
  179    HA   LEU  25           HA       LEU  25  49.200  26.852   6.539
  180    HB2  LEU  25           HB2      LEU  25  51.556  26.445   6.228
  181    HB3  LEU  25           HB1      LEU  25  51.330  26.085   4.503
  182    HG   LEU  25           HG       LEU  25  50.782  28.396   4.012
  183   HD11  LEU  25          HD11      LEU  25  50.702  28.683   7.042
  184   HD12  LEU  25          HD12      LEU  25  49.437  29.094   5.858
  185   HD13  LEU  25          HD13      LEU  25  50.904  30.092   5.975
  186   HD21  LEU  25          HD21      LEU  25  52.867  29.517   4.703
  187   HD22  LEU  25          HD22      LEU  25  53.191  27.823   4.260
  188   HD23  LEU  25          HD23      LEU  25  53.117  28.297   5.974
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  60.059   3.143 -10.893
    2    H2   GLY   1           HT2      GLY   1  60.552   4.651 -11.500
    3    H3   GLY   1           HT3      GLY   1  59.836   4.541  -9.962
    4    HA2  GLY   1           HA1      GLY   1  62.533   4.011 -10.817
    5    HA3  GLY   1           HA2      GLY   1  61.919   4.630  -9.271
    6    H    TRP   2           HN       TRP   2  62.316   3.338  -7.623
    7    HA   TRP   2           HA       TRP   2  63.139   0.605  -7.958
    8    HB2  TRP   2           HB2      TRP   2  62.078   1.974  -5.455
    9    HB3  TRP   2           HB1      TRP   2  63.069   0.496  -5.520
   10    HD1  TRP   2           HD1      TRP   2  63.260   4.278  -6.119
   11    HE1  TRP   2           HE1      TRP   2  65.750   5.030  -6.133
   12    HE3  TRP   2           HE3      TRP   2  65.495  -0.324  -5.917
   13    HZ2  TRP   2           HZ2      TRP   2  68.340   3.776  -6.065
   14    HZ3  TRP   2           HZ3      TRP   2  67.978  -0.522  -5.893
   15    HH2  TRP   2           HH2      TRP   2  69.401   1.521  -5.966
   16    H    GLY   3           HN       GLY   3  60.018   2.151  -7.467
   17    HA2  GLY   3           HA1      GLY   3  58.517  -0.056  -8.348
   18    HA3  GLY   3           HA2      GLY   3  58.616  -0.205  -6.583
   19    H    SER   4           HN       SER   4  58.837   2.870  -6.524
   20    HA   SER   4           HA       SER   4  57.348   4.606  -6.143
   21    HB2  SER   4           HB2      SER   4  55.603   3.357  -8.292
   22    HB3  SER   4           HB1      SER   4  55.710   5.068  -7.823
   23    HG   SER   4           HG       SER   4  57.596   5.236  -8.846
   24    H    PHE   5           HN       PHE   5  54.681   4.935  -6.059
   25    HA   PHE   5           HA       PHE   5  53.384   2.637  -4.746
   26    HB2  PHE   5           HB2      PHE   5  54.035   5.143  -3.142
   27    HB3  PHE   5           HB1      PHE   5  53.059   3.762  -2.589
   28    HD1  PHE   5           HD1      PHE   5  54.107   1.549  -2.186
   29    HD2  PHE   5           HD2      PHE   5  56.461   4.990  -3.307
   30    HE1  PHE   5           HE1      PHE   5  56.180   0.364  -1.476
   31    HE2  PHE   5           HE2      PHE   5  58.534   3.804  -2.595
   32    HZ   PHE   5           HZ       PHE   5  58.396   1.477  -1.713
   33    H    PHE   6           HN       PHE   6  52.903   4.309  -7.067
   34    HA   PHE   6           HA       PHE   6  50.857   6.261  -6.395
   35    HB2  PHE   6           HB2      PHE   6  52.195   6.333  -8.491
   36    HB3  PHE   6           HB1      PHE   6  51.398   4.835  -9.031
   37    HD1  PHE   6           HD1      PHE   6  49.346   4.973 -10.220
   38    HD2  PHE   6           HD2      PHE   6  50.629   8.313  -7.803
   39    HE1  PHE   6           HE1      PHE   6  47.434   6.323 -11.070
   40    HE2  PHE   6           HE2      PHE   6  48.715   9.662  -8.655
   41    HZ   PHE   6           HZ       PHE   6  47.163   8.692 -10.344
   42    H    LYS   7           HN       LYS   7  50.790   2.939  -7.760
   43    HA   LYS   7           HA       LYS   7  47.947   2.744  -7.901
   44    HB2  LYS   7           HB2      LYS   7  50.055   0.586  -7.486
   45    HB3  LYS   7           HB1      LYS   7  48.353   0.276  -7.911
   46    HG2  LYS   7           HG2      LYS   7  48.735   1.839  -9.930
   47    HG3  LYS   7           HG1      LYS   7  50.472   1.716  -9.557
   48    HD2  LYS   7           HD2      LYS   7  48.623  -0.654 -10.084
   49    HD3  LYS   7           HD1      LYS   7  49.746   0.047 -11.272
   50    HE2  LYS   7           HE2      LYS   7  51.596  -0.374  -9.499
   51    HE3  LYS   7           HE1      LYS   7  50.399  -1.416  -8.691
   52    HZ1  LYS   7           HZ1      LYS   7  51.357  -2.918 -10.078
   53    HZ2  LYS   7           HZ2      LYS   7  51.753  -1.770 -11.266
   54    HZ3  LYS   7           HZ3      LYS   7  50.159  -2.340 -11.130
   55    H    LYS   8           HN       LYS   8  49.328   0.301  -5.853
   56    HA   LYS   8           HA       LYS   8  47.271   0.585  -3.892
   57    HB2  LYS   8           HB2      LYS   8  48.682  -0.962  -2.524
   58    HB3  LYS   8           HB1      LYS   8  48.444  -1.527  -4.194
   59    HG2  LYS   8           HG2      LYS   8  50.669  -0.421  -4.772
   60    HG3  LYS   8           HG1      LYS   8  50.909  -0.171  -3.026
   61    HD2  LYS   8           HD2      LYS   8  50.676  -2.611  -2.645
   62    HD3  LYS   8           HD1      LYS   8  50.458  -2.859  -4.395
   63    HE2  LYS   8           HE2      LYS   8  52.799  -3.296  -3.758
   64    HE3  LYS   8           HE1      LYS   8  52.701  -1.857  -4.802
   65    HZ1  LYS   8           HZ1      LYS   8  54.060  -1.801  -2.592
   66    HZ2  LYS   8           HZ2      LYS   8  52.542  -1.523  -1.881
   67    HZ3  LYS   8           HZ3      LYS   8  53.139  -0.456  -3.061
   68    H    ALA   9           HN       ALA   9  47.041   1.803  -2.134
   69    HA   ALA   9           HA       ALA   9  49.251   2.821  -0.592
   70    HB1  ALA   9           HB1      ALA   9  49.618   4.317  -2.464
   71    HB2  ALA   9           HB2      ALA   9  48.916   5.244  -1.116
   72    HB3  ALA   9           HB3      ALA   9  47.896   4.764  -2.494
   73    H    ALA  10           HN       ALA  10  45.883   2.935  -1.605
   74    HA   ALA  10           HA       ALA  10  43.941   3.392  -0.417
   75    HB1  ALA  10           HB1      ALA  10  44.751   1.339   0.728
   76    HB2  ALA  10           HB2      ALA  10  43.815   2.405   1.803
   77    HB3  ALA  10           HB3      ALA  10  45.591   2.363   1.916
   78    H    HIS  11           HN       HIS  11  43.245   4.298   2.001
   79    HA   HIS  11           HA       HIS  11  44.040   7.089   1.858
   80    HB2  HIS  11           HB2      HIS  11  42.533   5.749   4.131
   81    HB3  HIS  11           HB1      HIS  11  42.446   7.446   3.597
   82    HD1  HIS  11           HD1      HIS  11  40.970   8.018   1.577
   83    HD2  HIS  11           HD2      HIS  11  41.254   3.886   2.299
   84    HE1  HIS  11           HE1      HIS  11  39.200   6.870   0.135
   85    H    ALA  12           HN       ALA  12  43.924   7.507   4.789
   86    HA   ALA  12           HA       ALA  12  45.476   7.858   6.477
   87    HB1  ALA  12           HB1      ALA  12  46.584   5.144   5.698
   88    HB2  ALA  12           HB2      ALA  12  45.088   5.358   6.638
   89    HB3  ALA  12           HB3      ALA  12  46.642   5.932   7.292
   90    H    GLY  13           HN       GLY  13  46.800   9.500   5.960
   91    HA2  GLY  13           HA1      GLY  13  48.831  10.484   5.403
   92    HA3  GLY  13           HA2      GLY  13  49.495   8.868   5.087
   93    H    LYS  14           HN       LYS  14  46.544   9.816   3.512
   94    HA   LYS  14           HA       LYS  14  47.792  10.959   1.148
   95    HB2  LYS  14           HB2      LYS  14  48.479   8.564   0.914
   96    HB3  LYS  14           HB1      LYS  14  46.760   8.104   0.922
   97    HG2  LYS  14           HG2      LYS  14  46.340   9.395  -1.094
   98    HG3  LYS  14           HG1      LYS  14  47.988  10.069  -1.058
   99    HD2  LYS  14           HD2      LYS  14  48.972   7.913  -1.504
  100    HD3  LYS  14           HD1      LYS  14  47.416   7.084  -1.255
  101    HE2  LYS  14           HE2      LYS  14  47.848   7.284  -3.657
  102    HE3  LYS  14           HE1      LYS  14  46.481   8.335  -3.216
  103    HZ1  LYS  14           HZ1      LYS  14  47.701  10.207  -3.538
  104    HZ2  LYS  14           HZ2      LYS  14  48.505   9.202  -4.647
  105    HZ3  LYS  14           HZ3      LYS  14  49.175   9.484  -3.111
  106    H    HIS  15           HN       HIS  15  46.303  12.358   0.501
  107    HA   HIS  15           HA       HIS  15  44.230  13.293   0.059
  108    HB2  HIS  15           HB2      HIS  15  44.165  11.360  -1.543
  109    HB3  HIS  15           HB1      HIS  15  43.313  10.414  -0.300
  110    HD1  HIS  15           HD1      HIS  15  42.411  13.972  -0.151
  111    HD2  HIS  15           HD2      HIS  15  41.115  10.618  -2.334
  112    HE1  HIS  15           HE1      HIS  15  40.113  14.532  -1.115
  113    H    ALA  16           HN       ALA  16  44.912  11.720   2.786
  114    HA   ALA  16           HA       ALA  16  42.610  12.780   4.186
  115    HB1  ALA  16           HB1      ALA  16  41.652  10.686   3.147
  116    HB2  ALA  16           HB2      ALA  16  41.571  10.746   4.925
  117    HB3  ALA  16           HB3      ALA  16  42.812   9.753   4.123
  118    H    GLY  17           HN       GLY  17  45.573  12.762   4.171
  119    HA2  GLY  17           HA1      GLY  17  46.332  11.294   6.612
  120    HA3  GLY  17           HA2      GLY  17  47.366  12.343   5.624
  121    H    LYS  18           HN       LYS  18  44.999  12.190   8.221
  122    HA   LYS  18           HA       LYS  18  44.531  13.670   9.932
  123    HB2  LYS  18           HB2      LYS  18  47.075  13.581  10.108
  124    HB3  LYS  18           HB1      LYS  18  47.108  15.107   9.195
  125    HG2  LYS  18           HG2      LYS  18  45.746  16.210  10.907
  126    HG3  LYS  18           HG1      LYS  18  45.578  14.679  11.799
  127    HD2  LYS  18           HD2      LYS  18  48.020  14.596  12.149
  128    HD3  LYS  18           HD1      LYS  18  48.212  16.111  11.234
  129    HE2  LYS  18           HE2      LYS  18  46.852  17.318  12.886
  130    HE3  LYS  18           HE1      LYS  18  46.559  15.806  13.780
  131    HZ1  LYS  18           HZ1      LYS  18  48.405  17.273  14.634
  132    HZ2  LYS  18           HZ2      LYS  18  49.289  16.847  13.246
  133    HZ3  LYS  18           HZ3      LYS  18  48.820  15.651  14.359
  134    H    ALA  19           HN       ALA  19  46.306  15.955   7.809
  135    HA   ALA  19           HA       ALA  19  43.707  17.352   7.235
  136    HB1  ALA  19           HB1      ALA  19  46.259  18.597   8.320
  137    HB2  ALA  19           HB2      ALA  19  44.660  18.555   9.102
  138    HB3  ALA  19           HB3      ALA  19  44.906  19.522   7.627
  139    H    ALA  20           HN       ALA  20  44.708  15.702   5.396
  140    HA   ALA  20           HA       ALA  20  45.479  15.620   3.214
  141    HB1  ALA  20           HB1      ALA  20  43.886  17.591   3.090
  142    HB2  ALA  20           HB2      ALA  20  45.163  17.556   1.850
  143    HB3  ALA  20           HB3      ALA  20  45.309  18.647   3.249
  144    H    LEU  21           HN       LEU  21  47.536  14.838   3.861
  145    HA   LEU  21           HA       LEU  21  49.852  14.916   4.042
  146    HB2  LEU  21           HB2      LEU  21  49.700  17.299   2.165
  147    HB3  LEU  21           HB1      LEU  21  50.978  16.065   2.286
  148    HG   LEU  21           HG       LEU  21  48.113  15.617   1.337
  149   HD11  LEU  21          HD11      LEU  21  49.628  16.786  -0.268
  150   HD12  LEU  21          HD12      LEU  21  49.177  15.159  -0.832
  151   HD13  LEU  21          HD13      LEU  21  50.786  15.442  -0.125
  152   HD21  LEU  21          HD21      LEU  21  49.141  13.305   0.731
  153   HD22  LEU  21          HD22      LEU  21  48.749  13.599   2.440
  154   HD23  LEU  21          HD23      LEU  21  50.435  13.721   1.880
  155    H    THR  22           HN       THR  22  48.341  16.448   6.002
  156    HA   THR  22           HA       THR  22  48.719  18.032   7.655
  157    HB   THR  22           HB       THR  22  51.651  17.796   6.856
  158    HG1  THR  22           HG1      THR  22  50.568  15.766   7.240
  159   HG21  THR  22          HG21      THR  22  50.223  18.503   9.454
  160   HG22  THR  22          HG22      THR  22  51.176  19.607   8.432
  161   HG23  THR  22          HG23      THR  22  51.979  18.270   9.291
  162    H    HIS  23           HN       HIS  23  47.695  19.822   6.815
  163    HA   HIS  23           HA       HIS  23  47.542  21.974   5.972
  164    HB2  HIS  23           HB2      HIS  23  50.561  22.168   6.230
  165    HB3  HIS  23           HB1      HIS  23  49.344  23.458   6.402
  166    HD1  HIS  23           HD1      HIS  23  51.527  22.385   8.605
  167    HD2  HIS  23           HD2      HIS  23  47.377  21.702   8.537
  168    HE1  HIS  23           HE1      HIS  23  50.810  21.818  10.991
  169    H    TYR  24           HN       TYR  24  49.834  23.304   4.524
  170    HA   TYR  24           HA       TYR  24  50.329  21.704   2.146
  171    HB2  TYR  24           HB2      TYR  24  48.968  23.017   0.574
  172    HB3  TYR  24           HB1      TYR  24  47.933  22.221   1.783
  173    HD1  TYR  24           HD1      TYR  24  47.239  23.575   3.867
  174    HD2  TYR  24           HD2      TYR  24  48.911  25.389   0.324
  175    HE1  TYR  24           HE1      TYR  24  46.325  25.784   4.565
  176    HE2  TYR  24           HE2      TYR  24  47.995  27.598   1.023
  177    HH   TYR  24           HH       TYR  24  46.882  28.723   2.621
  178    H    LEU  25           HN       LEU  25  51.877  23.203   4.019
  179    HA   LEU  25           HA       LEU  25  53.560  24.799   4.057
  180    HB2  LEU  25           HB2      LEU  25  53.411  24.829   1.025
  181    HB3  LEU  25           HB1      LEU  25  54.832  25.063   2.070
  182    HG   LEU  25           HG       LEU  25  53.254  22.478   1.698
  183   HD11  LEU  25          HD11      LEU  25  56.149  23.166   1.026
  184   HD12  LEU  25          HD12      LEU  25  54.818  23.187  -0.156
  185   HD13  LEU  25          HD13      LEU  25  55.284  21.661   0.633
  186   HD21  LEU  25          HD21      LEU  25  55.531  23.252   3.571
  187   HD22  LEU  25          HD22      LEU  25  55.226  21.561   3.108
  188   HD23  LEU  25          HD23      LEU  25  53.979  22.482   3.978
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  62.067  -2.660  -5.132
    2    H2   GLY   1           HT2      GLY   1  61.465  -4.223  -5.421
    3    H3   GLY   1           HT3      GLY   1  61.609  -3.644  -3.830
    4    HA2  GLY   1           HA1      GLY   1  59.332  -3.667  -4.746
    5    HA3  GLY   1           HA2      GLY   1  59.905  -2.123  -4.084
    6    H    TRP   2           HN       TRP   2  59.848  -3.983  -7.153
    7    HA   TRP   2           HA       TRP   2  60.079  -1.570  -8.768
    8    HB2  TRP   2           HB2      TRP   2  60.846  -3.811  -9.532
    9    HB3  TRP   2           HB1      TRP   2  59.155  -4.364  -9.552
   10    HD1  TRP   2           HD1      TRP   2  57.486  -3.063 -11.275
   11    HE1  TRP   2           HE1      TRP   2  57.948  -1.982 -13.594
   12    HE3  TRP   2           HE3      TRP   2  62.574  -2.600 -10.951
   13    HZ2  TRP   2           HZ2      TRP   2  60.232  -1.053 -15.079
   14    HZ3  TRP   2           HZ3      TRP   2  63.875  -1.615 -12.831
   15    HH2  TRP   2           HH2      TRP   2  62.709  -0.841 -14.893
   16    H    GLY   3           HN       GLY   3  57.431  -3.998  -8.575
   17    HA2  GLY   3           HA1      GLY   3  55.483  -2.401  -9.840
   18    HA3  GLY   3           HA2      GLY   3  55.141  -3.721  -8.704
   19    H    SER   4           HN       SER   4  56.791  -2.168  -6.632
   20    HA   SER   4           HA       SER   4  54.516  -0.860  -5.410
   21    HB2  SER   4           HB2      SER   4  56.052  -0.296  -3.625
   22    HB3  SER   4           HB1      SER   4  56.420  -1.947  -4.172
   23    HG   SER   4           HG       SER   4  57.860  -0.459  -5.701
   24    H    PHE   5           HN       PHE   5  53.979   1.263  -5.209
   25    HA   PHE   5           HA       PHE   5  53.849   3.483  -5.863
   26    HB2  PHE   5           HB2      PHE   5  55.984   3.473  -4.482
   27    HB3  PHE   5           HB1      PHE   5  56.884   3.372  -6.013
   28    HD1  PHE   5           HD1      PHE   5  57.129   5.297  -7.448
   29    HD2  PHE   5           HD2      PHE   5  54.491   5.450  -4.035
   30    HE1  PHE   5           HE1      PHE   5  56.902   7.762  -7.734
   31    HE2  PHE   5           HE2      PHE   5  54.265   7.915  -4.322
   32    HZ   PHE   5           HZ       PHE   5  55.404   9.056  -6.222
   33    H    PHE   6           HN       PHE   6  52.839   3.131  -7.857
   34    HA   PHE   6           HA       PHE   6  54.408   4.038 -10.145
   35    HB2  PHE   6           HB2      PHE   6  54.992   1.592 -10.053
   36    HB3  PHE   6           HB1      PHE   6  53.264   1.220 -10.268
   37    HD1  PHE   6           HD1      PHE   6  56.274   2.726 -11.852
   38    HD2  PHE   6           HD2      PHE   6  52.154   1.567 -12.405
   39    HE1  PHE   6           HE1      PHE   6  56.522   3.023 -14.314
   40    HE2  PHE   6           HE2      PHE   6  52.402   1.862 -14.867
   41    HZ   PHE   6           HZ       PHE   6  54.601   2.535 -15.825
   42    H    LYS   7           HN       LYS   7  51.512   3.214  -8.492
   43    HA   LYS   7           HA       LYS   7  49.944   4.975 -10.159
   44    HB2  LYS   7           HB2      LYS   7  48.334   3.247 -11.002
   45    HB3  LYS   7           HB1      LYS   7  49.947   3.134 -11.746
   46    HG2  LYS   7           HG2      LYS   7  50.553   1.355 -10.098
   47    HG3  LYS   7           HG1      LYS   7  48.898   1.432  -9.443
   48    HD2  LYS   7           HD2      LYS   7  47.995   0.853 -11.687
   49    HD3  LYS   7           HD1      LYS   7  49.656   0.732 -12.313
   50    HE2  LYS   7           HE2      LYS   7  50.103  -1.004 -10.507
   51    HE3  LYS   7           HE1      LYS   7  48.357  -0.990 -10.164
   52    HZ1  LYS   7           HZ1      LYS   7  48.525  -1.229 -12.886
   53    HZ2  LYS   7           HZ2      LYS   7  48.186  -2.480 -11.787
   54    HZ3  LYS   7           HZ3      LYS   7  49.779  -2.224 -12.323
   55    H    LYS   8           HN       LYS   8  50.291   2.558  -7.657
   56    HA   LYS   8           HA       LYS   8  47.619   2.840  -6.563
   57    HB2  LYS   8           HB2      LYS   8  50.188   1.941  -5.197
   58    HB3  LYS   8           HB1      LYS   8  48.527   1.654  -4.624
   59    HG2  LYS   8           HG2      LYS   8  48.029   0.337  -6.644
   60    HG3  LYS   8           HG1      LYS   8  49.661   0.664  -7.277
   61    HD2  LYS   8           HD2      LYS   8  50.639  -0.468  -5.279
   62    HD3  LYS   8           HD1      LYS   8  48.994  -0.850  -4.715
   63    HE2  LYS   8           HE2      LYS   8  48.565  -2.236  -6.640
   64    HE3  LYS   8           HE1      LYS   8  50.053  -1.685  -7.445
   65    HZ1  LYS   8           HZ1      LYS   8  50.364  -2.865  -4.796
   66    HZ2  LYS   8           HZ2      LYS   8  51.336  -3.020  -6.181
   67    HZ3  LYS   8           HZ3      LYS   8  49.906  -3.928  -6.036
   68    H    ALA   9           HN       ALA   9  46.782   4.491  -5.489
   69    HA   ALA   9           HA       ALA   9  48.417   6.779  -4.767
   70    HB1  ALA   9           HB1      ALA   9  45.575   6.159  -3.905
   71    HB2  ALA   9           HB2      ALA   9  46.005   6.852  -5.487
   72    HB3  ALA   9           HB3      ALA   9  46.358   7.754  -3.993
   73    H    ALA  10           HN       ALA  10  49.974   6.191  -3.279
   74    HA   ALA  10           HA       ALA  10  49.298   4.710  -0.866
   75    HB1  ALA  10           HB1      ALA  10  51.709   6.363  -1.676
   76    HB2  ALA  10           HB2      ALA  10  51.547   4.591  -1.705
   77    HB3  ALA  10           HB3      ALA  10  51.599   5.456  -0.150
   78    H    HIS  11           HN       HIS  11  48.779   5.412   1.139
   79    HA   HIS  11           HA       HIS  11  47.669   8.063   1.399
   80    HB2  HIS  11           HB2      HIS  11  48.427   6.135   3.627
   81    HB3  HIS  11           HB1      HIS  11  47.224   7.445   3.694
   82    HD1  HIS  11           HD1      HIS  11  45.294   7.183   1.635
   83    HD2  HIS  11           HD2      HIS  11  47.269   3.719   2.970
   84    HE1  HIS  11           HE1      HIS  11  43.849   5.181   0.978
   85    H    ALA  12           HN       ALA  12  50.560   6.507   2.869
   86    HA   ALA  12           HA       ALA  12  52.438   7.464   3.837
   87    HB1  ALA  12           HB1      ALA  12  53.321   9.507   2.665
   88    HB2  ALA  12           HB2      ALA  12  51.824   9.533   1.703
   89    HB3  ALA  12           HB3      ALA  12  52.936   8.148   1.583
   90    H    GLY  13           HN       GLY  13  51.330  10.693   3.047
   91    HA2  GLY  13           HA1      GLY  13  49.987  11.181   5.565
   92    HA3  GLY  13           HA2      GLY  13  51.670  11.741   5.614
   93    H    LYS  14           HN       LYS  14  48.618  11.981   3.775
   94    HA   LYS  14           HA       LYS  14  48.845  14.857   3.605
   95    HB2  LYS  14           HB2      LYS  14  50.580  14.137   1.904
   96    HB3  LYS  14           HB1      LYS  14  49.260  13.383   0.977
   97    HG2  LYS  14           HG2      LYS  14  48.117  15.537   0.767
   98    HG3  LYS  14           HG1      LYS  14  49.336  16.318   1.801
   99    HD2  LYS  14           HD2      LYS  14  51.094  15.616   0.111
  100    HD3  LYS  14           HD1      LYS  14  49.767  15.092  -0.954
  101    HE2  LYS  14           HE2      LYS  14  50.396  17.359  -1.580
  102    HE3  LYS  14           HE1      LYS  14  48.804  17.420  -0.787
  103    HZ1  LYS  14           HZ1      LYS  14  51.244  17.733   0.836
  104    HZ2  LYS  14           HZ2      LYS  14  49.682  18.348   1.101
  105    HZ3  LYS  14           HZ3      LYS  14  50.685  19.049  -0.077
  106    H    HIS  15           HN       HIS  15  47.596  11.967   1.875
  107    HA   HIS  15           HA       HIS  15  45.087  13.284   1.203
  108    HB2  HIS  15           HB2      HIS  15  45.831  10.332   1.223
  109    HB3  HIS  15           HB1      HIS  15  44.395  11.043   0.448
  110    HD1  HIS  15           HD1      HIS  15  47.195  13.349   0.147
  111    HD2  HIS  15           HD2      HIS  15  45.808  10.004  -1.991
  112    HE1  HIS  15           HE1      HIS  15  48.336  13.378  -2.139
  113    H    ALA  16           HN       ALA  16  46.342  11.987   4.075
  114    HA   ALA  16           HA       ALA  16  43.820  12.348   5.452
  115    HB1  ALA  16           HB1      ALA  16  43.466  10.024   6.163
  116    HB2  ALA  16           HB2      ALA  16  44.808   9.494   5.121
  117    HB3  ALA  16           HB3      ALA  16  43.332  10.175   4.396
  118    H    GLY  17           HN       GLY  17  46.548  13.268   5.633
  119    HA2  GLY  17           HA1      GLY  17  47.761  11.868   7.920
  120    HA3  GLY  17           HA2      GLY  17  48.350  13.344   7.128
  121    H    LYS  18           HN       LYS  18  46.088  12.014   9.500
  122    HA   LYS  18           HA       LYS  18  45.076  13.004  11.329
  123    HB2  LYS  18           HB2      LYS  18  47.541  13.721  11.655
  124    HB3  LYS  18           HB1      LYS  18  47.035  15.312  11.045
  125    HG2  LYS  18           HG2      LYS  18  45.212  15.299  12.829
  126    HG3  LYS  18           HG1      LYS  18  45.988  13.849  13.505
  127    HD2  LYS  18           HD2      LYS  18  48.138  15.148  13.677
  128    HD3  LYS  18           HD1      LYS  18  47.249  16.603  13.160
  129    HE2  LYS  18           HE2      LYS  18  46.764  14.935  15.664
  130    HE3  LYS  18           HE1      LYS  18  47.325  16.622  15.582
  131    HZ1  LYS  18           HZ1      LYS  18  44.981  16.558  16.069
  132    HZ2  LYS  18           HZ2      LYS  18  44.671  15.594  14.705
  133    HZ3  LYS  18           HZ3      LYS  18  45.203  17.196  14.513
  134    H    ALA  19           HN       ALA  19  43.729  13.370   9.023
  135    HA   ALA  19           HA       ALA  19  42.162  14.724   7.980
  136    HB1  ALA  19           HB1      ALA  19  40.858  16.134   9.403
  137    HB2  ALA  19           HB2      ALA  19  42.203  16.327  10.554
  138    HB3  ALA  19           HB3      ALA  19  41.388  14.753  10.390
  139    H    ALA  20           HN       ALA  20  44.977  15.398   7.603
  140    HA   ALA  20           HA       ALA  20  45.152  18.329   7.650
  141    HB1  ALA  20           HB1      ALA  20  47.199  17.141   7.905
  142    HB2  ALA  20           HB2      ALA  20  47.248  17.853   6.274
  143    HB3  ALA  20           HB3      ALA  20  46.874  16.124   6.482
  144    H    LEU  21           HN       LEU  21  45.202  15.889   5.007
  145    HA   LEU  21           HA       LEU  21  44.429  16.013   2.829
  146    HB2  LEU  21           HB2      LEU  21  42.622  18.286   3.716
  147    HB3  LEU  21           HB1      LEU  21  42.366  17.122   2.395
  148    HG   LEU  21           HG       LEU  21  42.429  16.469   5.377
  149   HD11  LEU  21          HD11      LEU  21  40.043  16.019   5.095
  150   HD12  LEU  21          HD12      LEU  21  40.150  16.376   3.354
  151   HD13  LEU  21          HD13      LEU  21  40.392  17.676   4.546
  152   HD21  LEU  21          HD21      LEU  21  42.190  14.751   2.872
  153   HD22  LEU  21          HD22      LEU  21  41.551  14.208   4.442
  154   HD23  LEU  21          HD23      LEU  21  43.287  14.543   4.259
  155    H    THR  22           HN       THR  22  46.104  18.480   4.313
  156    HA   THR  22           HA       THR  22  47.299  19.415   1.917
  157    HB   THR  22           HB       THR  22  45.336  20.594   1.248
  158    HG1  THR  22           HG1      THR  22  47.078  21.961   1.179
  159   HG21  THR  22          HG21      THR  22  44.170  22.150   2.924
  160   HG22  THR  22          HG22      THR  22  45.095  21.315   4.194
  161   HG23  THR  22          HG23      THR  22  43.941  20.406   3.189
  162    H    HIS  23           HN       HIS  23  46.810  19.302   5.233
  163    HA   HIS  23           HA       HIS  23  48.019  20.118   7.036
  164    HB2  HIS  23           HB2      HIS  23  49.887  19.101   5.692
  165    HB3  HIS  23           HB1      HIS  23  50.175  20.702   4.970
  166    HD1  HIS  23           HD1      HIS  23  51.518  22.381   6.299
  167    HD2  HIS  23           HD2      HIS  23  50.320  19.070   8.600
  168    HE1  HIS  23           HE1      HIS  23  52.683  22.568   8.565
  169    H    TYR  24           HN       TYR  24  46.506  21.863   7.266
  170    HA   TYR  24           HA       TYR  24  45.952  24.100   7.488
  171    HB2  TYR  24           HB2      TYR  24  48.977  24.417   7.343
  172    HB3  TYR  24           HB1      TYR  24  47.841  25.687   7.853
  173    HD1  TYR  24           HD1      TYR  24  46.830  25.655  10.044
  174    HD2  TYR  24           HD2      TYR  24  49.160  22.290   8.673
  175    HE1  TYR  24           HE1      TYR  24  46.811  24.704  12.348
  176    HE2  TYR  24           HE2      TYR  24  49.140  21.339  10.977
  177    HH   TYR  24           HH       TYR  24  47.853  21.454  12.986
  178    H    LEU  25           HN       LEU  25  45.923  26.249   6.434
  179    HA   LEU  25           HA       LEU  25  45.761  25.890   3.551
  180    HB2  LEU  25           HB2      LEU  25  44.136  27.307   4.624
  181    HB3  LEU  25           HB1      LEU  25  45.403  28.288   5.390
  182    HG   LEU  25           HG       LEU  25  46.078  29.223   3.258
  183   HD11  LEU  25          HD11      LEU  25  45.957  27.384   1.741
  184   HD12  LEU  25          HD12      LEU  25  44.722  28.524   1.161
  185   HD13  LEU  25          HD13      LEU  25  44.238  27.091   2.103
  186   HD21  LEU  25          HD21      LEU  25  44.009  30.137   4.372
  187   HD22  LEU  25          HD22      LEU  25  43.031  29.099   3.305
  188   HD23  LEU  25          HD23      LEU  25  44.039  30.392   2.610
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  62.785  -1.839  -8.317
    2    H2   GLY   1           HT2      GLY   1  62.600  -0.335  -9.086
    3    H3   GLY   1           HT3      GLY   1  63.244  -1.657  -9.938
    4    HA2  GLY   1           HA1      GLY   1  61.000  -1.267 -10.588
    5    HA3  GLY   1           HA2      GLY   1  61.183  -2.827  -9.764
    6    H    TRP   2           HN       TRP   2  61.083  -2.463  -7.198
    7    HA   TRP   2           HA       TRP   2  58.341  -1.675  -6.713
    8    HB2  TRP   2           HB2      TRP   2  58.911  -2.132  -4.327
    9    HB3  TRP   2           HB1      TRP   2  59.395  -3.456  -5.414
   10    HD1  TRP   2           HD1      TRP   2  60.850  -0.545  -3.382
   11    HE1  TRP   2           HE1      TRP   2  63.398  -0.920  -3.029
   12    HE3  TRP   2           HE3      TRP   2  61.479  -4.658  -6.365
   13    HZ2  TRP   2           HZ2      TRP   2  65.410  -2.771  -3.937
   14    HZ3  TRP   2           HZ3      TRP   2  63.722  -5.712  -6.607
   15    HH2  TRP   2           HH2      TRP   2  65.687  -4.773  -5.396
   16    H    GLY   3           HN       GLY   3  61.215   0.097  -7.004
   17    HA2  GLY   3           HA1      GLY   3  61.066   2.053  -5.007
   18    HA3  GLY   3           HA2      GLY   3  61.640   2.347  -6.660
   19    H    SER   4           HN       SER   4  58.924   1.510  -7.709
   20    HA   SER   4           HA       SER   4  57.070   2.691  -8.461
   21    HB2  SER   4           HB2      SER   4  55.584   3.511  -6.739
   22    HB3  SER   4           HB1      SER   4  56.388   2.052  -6.121
   23    HG   SER   4           HG       SER   4  56.404   3.806  -4.619
   24    H    PHE   5           HN       PHE   5  55.890   5.060  -7.950
   25    HA   PHE   5           HA       PHE   5  57.830   7.228  -7.715
   26    HB2  PHE   5           HB2      PHE   5  58.323   6.387 -10.019
   27    HB3  PHE   5           HB1      PHE   5  56.627   6.697 -10.461
   28    HD1  PHE   5           HD1      PHE   5  59.894   8.220  -9.675
   29    HD2  PHE   5           HD2      PHE   5  55.739   9.007 -10.543
   30    HE1  PHE   5           HE1      PHE   5  60.439  10.612 -10.111
   31    HE2  PHE   5           HE2      PHE   5  56.285  11.399 -10.980
   32    HZ   PHE   5           HZ       PHE   5  58.634  12.201 -10.766
   33    H    PHE   6           HN       PHE   6  54.772   6.505  -9.471
   34    HA   PHE   6           HA       PHE   6  53.580   9.022  -8.624
   35    HB2  PHE   6           HB2      PHE   6  52.241   6.536  -9.763
   36    HB3  PHE   6           HB1      PHE   6  51.565   8.184  -9.715
   37    HD1  PHE   6           HD1      PHE   6  52.402   9.941 -11.200
   38    HD2  PHE   6           HD2      PHE   6  54.091   5.970 -11.287
   39    HE1  PHE   6           HE1      PHE   6  53.540  10.473 -13.352
   40    HE2  PHE   6           HE2      PHE   6  55.229   6.502 -13.439
   41    HZ   PHE   6           HZ       PHE   6  55.013   8.776 -14.432
   42    H    LYS   7           HN       LYS   7  52.412   9.492  -6.869
   43    HA   LYS   7           HA       LYS   7  52.320   7.619  -4.675
   44    HB2  LYS   7           HB2      LYS   7  52.416  10.059  -4.342
   45    HB3  LYS   7           HB1      LYS   7  50.814  10.230  -5.100
   46    HG2  LYS   7           HG2      LYS   7  49.732   9.035  -3.329
   47    HG3  LYS   7           HG1      LYS   7  51.281   8.452  -2.674
   48    HD2  LYS   7           HD2      LYS   7  50.312  10.342  -1.340
   49    HD3  LYS   7           HD1      LYS   7  51.912  10.722  -2.018
   50    HE2  LYS   7           HE2      LYS   7  49.380  11.459  -3.527
   51    HE3  LYS   7           HE1      LYS   7  50.017  12.510  -2.239
   52    HZ1  LYS   7           HZ1      LYS   7  50.943  12.193  -4.898
   53    HZ2  LYS   7           HZ2      LYS   7  52.185  11.798  -3.808
   54    HZ3  LYS   7           HZ3      LYS   7  51.427  13.317  -3.724
   55    H    LYS   8           HN       LYS   8  50.979   5.986  -4.352
   56    HA   LYS   8           HA       LYS   8  48.677   5.554  -6.055
   57    HB2  LYS   8           HB2      LYS   8  50.109   3.781  -4.907
   58    HB3  LYS   8           HB1      LYS   8  49.263   4.198  -3.397
   59    HG2  LYS   8           HG2      LYS   8  47.069   3.804  -4.712
   60    HG3  LYS   8           HG1      LYS   8  48.088   3.046  -5.959
   61    HD2  LYS   8           HD2      LYS   8  48.009   2.216  -3.022
   62    HD3  LYS   8           HD1      LYS   8  47.163   1.377  -4.342
   63    HE2  LYS   8           HE2      LYS   8  49.483   1.186  -5.476
   64    HE3  LYS   8           HE1      LYS   8  50.156   1.647  -3.894
   65    HZ1  LYS   8           HZ1      LYS   8  49.525  -0.869  -4.637
   66    HZ2  LYS   8           HZ2      LYS   8  48.137  -0.414  -3.770
   67    HZ3  LYS   8           HZ3      LYS   8  49.666  -0.340  -3.032
   68    H    ALA   9           HN       ALA   9  46.910   6.789  -5.944
   69    HA   ALA   9           HA       ALA   9  46.129   8.343  -3.702
   70    HB1  ALA   9           HB1      ALA   9  44.430   7.182  -5.937
   71    HB2  ALA   9           HB2      ALA   9  45.285   8.744  -5.959
   72    HB3  ALA   9           HB3      ALA   9  43.930   8.485  -4.833
   73    H    ALA  10           HN       ALA  10  45.460   7.757  -1.756
   74    HA   ALA  10           HA       ALA  10  43.350   5.808  -1.401
   75    HB1  ALA  10           HB1      ALA  10  46.123   4.990  -0.467
   76    HB2  ALA  10           HB2      ALA  10  45.236   4.258  -1.826
   77    HB3  ALA  10           HB3      ALA  10  44.604   4.112  -0.169
   78    H    HIS  11           HN       HIS  11  44.893   8.502  -0.605
   79    HA   HIS  11           HA       HIS  11  44.983   8.334   2.298
   80    HB2  HIS  11           HB2      HIS  11  45.089  10.871   2.102
   81    HB3  HIS  11           HB1      HIS  11  46.357   9.983   1.226
   82    HD1  HIS  11           HD1      HIS  11  42.840  11.385   0.515
   83    HD2  HIS  11           HD2      HIS  11  46.486  10.659  -1.449
   84    HE1  HIS  11           HE1      HIS  11  42.634  12.332  -1.848
   85    H    ALA  12           HN       ALA  12  43.629   9.606   3.757
   86    HA   ALA  12           HA       ALA  12  41.023  10.528   2.846
   87    HB1  ALA  12           HB1      ALA  12  40.614   8.114   2.711
   88    HB2  ALA  12           HB2      ALA  12  39.680   8.837   4.044
   89    HB3  ALA  12           HB3      ALA  12  41.163   7.916   4.392
   90    H    GLY  13           HN       GLY  13  43.206  11.609   4.324
   91    HA2  GLY  13           HA1      GLY  13  43.626  12.754   6.289
   92    HA3  GLY  13           HA2      GLY  13  41.862  12.875   6.436
   93    H    LYS  14           HN       LYS  14  44.366  10.315   6.763
   94    HA   LYS  14           HA       LYS  14  43.830   9.961   9.584
   95    HB2  LYS  14           HB2      LYS  14  41.734   8.974   8.608
   96    HB3  LYS  14           HB1      LYS  14  42.747   7.780   7.760
   97    HG2  LYS  14           HG2      LYS  14  43.624   6.948   9.888
   98    HG3  LYS  14           HG1      LYS  14  42.738   8.208  10.780
   99    HD2  LYS  14           HD2      LYS  14  40.595   7.276  10.072
  100    HD3  LYS  14           HD1      LYS  14  41.418   6.089   9.031
  101    HE2  LYS  14           HE2      LYS  14  40.703   5.098  11.212
  102    HE3  LYS  14           HE1      LYS  14  42.469   5.049  10.994
  103    HZ1  LYS  14           HZ1      LYS  14  41.412   7.445  12.262
  104    HZ2  LYS  14           HZ2      LYS  14  42.797   6.533  12.634
  105    HZ3  LYS  14           HZ3      LYS  14  41.268   6.019  13.169
  106    H    HIS  15           HN       HIS  15  44.659   8.024   6.666
  107    HA   HIS  15           HA       HIS  15  46.648   6.435   7.931
  108    HB2  HIS  15           HB2      HIS  15  46.537   7.368   5.034
  109    HB3  HIS  15           HB1      HIS  15  47.462   5.980   5.657
  110    HD1  HIS  15           HD1      HIS  15  46.190   3.821   6.237
  111    HD2  HIS  15           HD2      HIS  15  43.713   6.947   4.907
  112    HE1  HIS  15           HE1      HIS  15  43.864   2.836   5.848
  113    H    ALA  16           HN       ALA  16  47.349   9.030   5.552
  114    HA   ALA  16           HA       ALA  16  50.060   9.331   6.179
  115    HB1  ALA  16           HB1      ALA  16  48.763  10.402   4.287
  116    HB2  ALA  16           HB2      ALA  16  49.947  11.460   5.091
  117    HB3  ALA  16           HB3      ALA  16  48.212  11.625   5.456
  118    H    GLY  17           HN       GLY  17  47.364  11.358   7.442
  119    HA2  GLY  17           HA1      GLY  17  47.196  12.544   9.419
  120    HA3  GLY  17           HA2      GLY  17  48.310  11.356  10.124
  121    H    LYS  18           HN       LYS  18  49.506  12.978   7.348
  122    HA   LYS  18           HA       LYS  18  50.686  15.230   8.856
  123    HB2  LYS  18           HB2      LYS  18  53.006  14.577   8.440
  124    HB3  LYS  18           HB1      LYS  18  52.194  13.327   9.414
  125    HG2  LYS  18           HG2      LYS  18  51.719  12.088   7.240
  126    HG3  LYS  18           HG1      LYS  18  52.792  13.253   6.426
  127    HD2  LYS  18           HD2      LYS  18  54.608  12.631   8.057
  128    HD3  LYS  18           HD1      LYS  18  53.538  11.361   8.697
  129    HE2  LYS  18           HE2      LYS  18  53.409  10.332   6.445
  130    HE3  LYS  18           HE1      LYS  18  54.479  11.602   5.804
  131    HZ1  LYS  18           HZ1      LYS  18  55.105   9.341   7.559
  132    HZ2  LYS  18           HZ2      LYS  18  55.963  10.785   7.810
  133    HZ3  LYS  18           HZ3      LYS  18  56.011  10.018   6.294
  134    H    ALA  19           HN       ALA  19  49.116  14.228   6.300
  135    HA   ALA  19           HA       ALA  19  50.088  16.405   4.615
  136    HB1  ALA  19           HB1      ALA  19  50.606  14.947   2.653
  137    HB2  ALA  19           HB2      ALA  19  50.506  13.530   3.726
  138    HB3  ALA  19           HB3      ALA  19  51.762  14.763   3.992
  139    H    ALA  20           HN       ALA  20  48.115  13.487   5.040
  140    HA   ALA  20           HA       ALA  20  46.234  14.158   2.932
  141    HB1  ALA  20           HB1      ALA  20  44.840  12.409   3.946
  142    HB2  ALA  20           HB2      ALA  20  45.904  12.380   5.374
  143    HB3  ALA  20           HB3      ALA  20  46.526  11.863   3.788
  144    H    LEU  21           HN       LEU  21  45.841  14.123   6.510
  145    HA   LEU  21           HA       LEU  21  43.427  15.653   6.474
  146    HB2  LEU  21           HB2      LEU  21  44.676  14.241   8.374
  147    HB3  LEU  21           HB1      LEU  21  45.351  15.824   8.808
  148    HG   LEU  21           HG       LEU  21  42.397  15.075   8.631
  149   HD11  LEU  21          HD11      LEU  21  42.394  15.438  11.026
  150   HD12  LEU  21          HD12      LEU  21  44.064  16.054  10.987
  151   HD13  LEU  21          HD13      LEU  21  43.741  14.336  10.651
  152   HD21  LEU  21          HD21      LEU  21  43.805  17.752   8.988
  153   HD22  LEU  21          HD22      LEU  21  42.158  17.476   9.609
  154   HD23  LEU  21          HD23      LEU  21  42.488  17.329   7.869
  155    H    THR  22           HN       THR  22  46.834  16.607   7.068
  156    HA   THR  22           HA       THR  22  46.363  19.388   7.419
  157    HB   THR  22           HB       THR  22  48.798  18.109   6.096
  158    HG1  THR  22           HG1      THR  22  49.570  18.051   8.255
  159   HG21  THR  22          HG21      THR  22  48.348  20.718   7.603
  160   HG22  THR  22          HG22      THR  22  48.771  20.534   5.883
  161   HG23  THR  22          HG23      THR  22  49.946  20.087   7.143
  162    H    HIS  23           HN       HIS  23  46.341  17.370   4.575
  163    HA   HIS  23           HA       HIS  23  45.902  17.845   2.356
  164    HB2  HIS  23           HB2      HIS  23  43.945  19.044   3.414
  165    HB3  HIS  23           HB1      HIS  23  44.900  20.544   3.342
  166    HD1  HIS  23           HD1      HIS  23  45.163  21.716   1.092
  167    HD2  HIS  23           HD2      HIS  23  43.192  18.009   0.823
  168    HE1  HIS  23           HE1      HIS  23  44.250  21.508  -1.285
  169    H    TYR  24           HN       TYR  24  47.104  18.464   0.657
  170    HA   TYR  24           HA       TYR  24  48.487  21.002   0.549
  171    HB2  TYR  24           HB2      TYR  24  49.866  19.721   2.268
  172    HB3  TYR  24           HB1      TYR  24  50.291  18.588   0.963
  173    HD1  TYR  24           HD1      TYR  24  51.894  19.187  -0.736
  174    HD2  TYR  24           HD2      TYR  24  50.481  22.154   2.061
  175    HE1  TYR  24           HE1      TYR  24  53.660  20.762  -1.514
  176    HE2  TYR  24           HE2      TYR  24  52.247  23.729   1.283
  177    HH   TYR  24           HH       TYR  24  54.424  23.608   0.321
  178    H    LEU  25           HN       LEU  25  49.168  17.606  -0.444
  179    HA   LEU  25           HA       LEU  25  49.430  16.698  -2.562
  180    HB2  LEU  25           HB2      LEU  25  47.627  18.918  -3.583
  181    HB3  LEU  25           HB1      LEU  25  47.809  17.264  -4.211
  182    HG   LEU  25           HG       LEU  25  46.631  18.030  -1.502
  183   HD11  LEU  25          HD11      LEU  25  44.518  17.203  -2.484
  184   HD12  LEU  25          HD12      LEU  25  45.354  16.881  -4.023
  185   HD13  LEU  25          HD13      LEU  25  45.173  18.554  -3.440
  186   HD21  LEU  25          HD21      LEU  25  47.201  15.358  -2.851
  187   HD22  LEU  25          HD22      LEU  25  45.973  15.522  -1.573
  188   HD23  LEU  25          HD23      LEU  25  47.675  15.895  -1.221
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1  58.580   0.324 -12.060
    2    H2   GLY   1           HT2      GLY   1  58.717   0.845 -10.448
    3    H3   GLY   1           HT3      GLY   1  60.110   0.617 -11.396
    4    HA2  GLY   1           HA1      GLY   1  58.847   2.328 -12.918
    5    HA3  GLY   1           HA2      GLY   1  58.223   2.799 -11.325
    6    H    TRP   2           HN       TRP   2  59.260   4.661 -10.908
    7    HA   TRP   2           HA       TRP   2  62.077   5.035 -11.579
    8    HB2  TRP   2           HB2      TRP   2  60.252   6.668  -9.769
    9    HB3  TRP   2           HB1      TRP   2  61.822   7.187 -10.429
   10    HD1  TRP   2           HD1      TRP   2  61.927   7.892 -12.948
   11    HE1  TRP   2           HE1      TRP   2  60.134   8.387 -14.765
   12    HE3  TRP   2           HE3      TRP   2  57.829   5.922 -10.596
   13    HZ2  TRP   2           HZ2      TRP   2  57.307   7.970 -15.119
   14    HZ3  TRP   2           HZ3      TRP   2  55.595   5.982 -11.692
   15    HH2  TRP   2           HH2      TRP   2  55.329   7.003 -13.950
   16    H    GLY   3           HN       GLY   3  60.202   4.200  -8.682
   17    HA2  GLY   3           HA1      GLY   3  62.443   2.919  -7.440
   18    HA3  GLY   3           HA2      GLY   3  62.236   4.539  -6.745
   19    H    SER   4           HN       SER   4  59.404   2.974  -7.965
   20    HA   SER   4           HA       SER   4  58.708   1.570  -5.515
   21    HB2  SER   4           HB2      SER   4  58.479   3.950  -4.763
   22    HB3  SER   4           HB1      SER   4  57.279   4.205  -6.048
   23    HG   SER   4           HG       SER   4  55.860   3.131  -4.907
   24    H    PHE   5           HN       PHE   5  56.923   0.280  -5.773
   25    HA   PHE   5           HA       PHE   5  54.980   0.744  -7.883
   26    HB2  PHE   5           HB2      PHE   5  56.865  -0.002  -9.289
   27    HB3  PHE   5           HB1      PHE   5  57.021  -1.477  -8.304
   28    HD1  PHE   5           HD1      PHE   5  55.720  -3.397  -8.832
   29    HD2  PHE   5           HD2      PHE   5  54.555   0.459 -10.388
   30    HE1  PHE   5           HE1      PHE   5  53.958  -4.487 -10.217
   31    HE2  PHE   5           HE2      PHE   5  52.795  -0.632 -11.772
   32    HZ   PHE   5           HZ       PHE   5  52.438  -3.093 -11.615
   33    H    PHE   6           HN       PHE   6  53.582   0.454  -6.109
   34    HA   PHE   6           HA       PHE   6  52.906  -2.375  -5.634
   35    HB2  PHE   6           HB2      PHE   6  53.749  -0.573  -3.326
   36    HB3  PHE   6           HB1      PHE   6  53.003  -2.181  -3.166
   37    HD1  PHE   6           HD1      PHE   6  54.192  -4.203  -4.148
   38    HD2  PHE   6           HD2      PHE   6  56.097  -0.348  -3.772
   39    HE1  PHE   6           HE1      PHE   6  56.424  -5.281  -4.401
   40    HE2  PHE   6           HE2      PHE   6  58.329  -1.427  -4.024
   41    HZ   PHE   6           HZ       PHE   6  58.494  -3.896  -4.308
   42    H    LYS   7           HN       LYS   7  51.202  -2.092  -3.496
   43    HA   LYS   7           HA       LYS   7  48.894  -0.965  -4.735
   44    HB2  LYS   7           HB2      LYS   7  47.799  -1.325  -2.564
   45    HB3  LYS   7           HB1      LYS   7  48.816  -2.722  -2.994
   46    HG2  LYS   7           HG2      LYS   7  50.680  -1.579  -1.609
   47    HG3  LYS   7           HG1      LYS   7  49.400  -0.513  -0.981
   48    HD2  LYS   7           HD2      LYS   7  49.388  -3.562  -0.832
   49    HD3  LYS   7           HD1      LYS   7  49.790  -2.468   0.512
   50    HE2  LYS   7           HE2      LYS   7  47.464  -1.396   0.100
   51    HE3  LYS   7           HE1      LYS   7  47.116  -2.840  -0.882
   52    HZ1  LYS   7           HZ1      LYS   7  47.811  -4.177   1.093
   53    HZ2  LYS   7           HZ2      LYS   7  46.388  -3.275   1.315
   54    HZ3  LYS   7           HZ3      LYS   7  47.850  -2.741   1.997
   55    H    LYS   8           HN       LYS   8  47.696   0.897  -4.348
   56    HA   LYS   8           HA       LYS   8  49.185   3.290  -3.960
   57    HB2  LYS   8           HB2      LYS   8  46.204   2.724  -3.752
   58    HB3  LYS   8           HB1      LYS   8  46.907   4.359  -3.717
   59    HG2  LYS   8           HG2      LYS   8  47.992   3.902  -5.928
   60    HG3  LYS   8           HG1      LYS   8  47.172   2.321  -5.970
   61    HD2  LYS   8           HD2      LYS   8  44.970   3.485  -5.800
   62    HD3  LYS   8           HD1      LYS   8  45.817   5.050  -5.846
   63    HE2  LYS   8           HE2      LYS   8  46.073   2.929  -8.017
   64    HE3  LYS   8           HE1      LYS   8  44.921   4.283  -8.090
   65    HZ1  LYS   8           HZ1      LYS   8  46.883   5.778  -7.757
   66    HZ2  LYS   8           HZ2      LYS   8  46.868   4.945  -9.238
   67    HZ3  LYS   8           HZ3      LYS   8  47.888   4.431  -7.981
   68    H    ALA   9           HN       ALA   9  46.364   3.215  -1.954
   69    HA   ALA   9           HA       ALA   9  47.673   2.631   0.556
   70    HB1  ALA   9           HB1      ALA   9  47.138   5.574   0.049
   71    HB2  ALA   9           HB2      ALA   9  48.752   4.832  -0.082
   72    HB3  ALA   9           HB3      ALA   9  47.893   4.831   1.479
   73    H    ALA  10           HN       ALA  10  45.103   4.213  -1.278
   74    HA   ALA  10           HA       ALA  10  42.830   4.387  -0.871
   75    HB1  ALA  10           HB1      ALA  10  41.751   2.518   0.187
   76    HB2  ALA  10           HB2      ALA  10  43.247   2.065   1.038
   77    HB3  ALA  10           HB3      ALA  10  43.141   1.890  -0.730
   78    H    HIS  11           HN       HIS  11  42.840   6.400   0.120
   79    HA   HIS  11           HA       HIS  11  42.520   7.909   1.851
   80    HB2  HIS  11           HB2      HIS  11  41.448   5.560   3.450
   81    HB3  HIS  11           HB1      HIS  11  40.984   7.275   3.562
   82    HD1  HIS  11           HD1      HIS  11  38.887   5.009   2.955
   83    HD2  HIS  11           HD2      HIS  11  40.791   7.398   0.065
   84    HE1  HIS  11           HE1      HIS  11  37.430   4.972   0.857
   85    H    ALA  12           HN       ALA  12  42.791   8.119   4.422
   86    HA   ALA  12           HA       ALA  12  44.399   8.312   6.080
   87    HB1  ALA  12           HB1      ALA  12  43.699   5.885   6.287
   88    HB2  ALA  12           HB2      ALA  12  45.314   6.272   6.927
   89    HB3  ALA  12           HB3      ALA  12  45.151   5.467   5.348
   90    H    GLY  13           HN       GLY  13  45.914   9.764   5.528
   91    HA2  GLY  13           HA1      GLY  13  48.057  10.465   4.968
   92    HA3  GLY  13           HA2      GLY  13  48.500   8.777   4.647
   93    H    LYS  14           HN       LYS  14  45.799  10.513   3.150
   94    HA   LYS  14           HA       LYS  14  47.275  11.159   0.724
   95    HB2  LYS  14           HB2      LYS  14  47.105   8.696   0.460
   96    HB3  LYS  14           HB1      LYS  14  45.335   8.814   0.615
   97    HG2  LYS  14           HG2      LYS  14  45.175  10.154  -1.397
   98    HG3  LYS  14           HG1      LYS  14  46.946  10.313  -1.493
   99    HD2  LYS  14           HD2      LYS  14  47.119   7.830  -1.764
  100    HD3  LYS  14           HD1      LYS  14  45.341   7.736  -1.777
  101    HE2  LYS  14           HE2      LYS  14  45.257   9.195  -3.762
  102    HE3  LYS  14           HE1      LYS  14  47.029   9.352  -3.738
  103    HZ1  LYS  14           HZ1      LYS  14  47.315   7.257  -4.511
  104    HZ2  LYS  14           HZ2      LYS  14  45.780   7.535  -5.186
  105    HZ3  LYS  14           HZ3      LYS  14  45.929   6.643  -3.747
  106    H    HIS  15           HN       HIS  15  43.948   9.923   1.232
  107    HA   HIS  15           HA       HIS  15  42.826  12.285  -0.066
  108    HB2  HIS  15           HB2      HIS  15  41.818   9.995  -0.199
  109    HB3  HIS  15           HB1      HIS  15  41.414  10.113   1.530
  110    HD1  HIS  15           HD1      HIS  15  38.987  10.639   1.743
  111    HD2  HIS  15           HD2      HIS  15  40.768  12.706  -1.457
  112    HE1  HIS  15           HE1      HIS  15  37.210  12.182   0.749
  113    H    ALA  16           HN       ALA  16  43.734  11.432   3.157
  114    HA   ALA  16           HA       ALA  16  42.857  14.062   4.126
  115    HB1  ALA  16           HB1      ALA  16  41.364  13.298   5.841
  116    HB2  ALA  16           HB2      ALA  16  41.696  11.593   5.454
  117    HB3  ALA  16           HB3      ALA  16  40.795  12.609   4.303
  118    H    GLY  17           HN       GLY  17  45.388  13.268   3.872
  119    HA2  GLY  17           HA1      GLY  17  46.377  11.861   6.218
  120    HA3  GLY  17           HA2      GLY  17  47.342  12.733   5.011
  121    H    LYS  18           HN       LYS  18  44.991  13.368   7.642
  122    HA   LYS  18           HA       LYS  18  45.057  14.889   9.375
  123    HB2  LYS  18           HB2      LYS  18  47.508  14.056   9.489
  124    HB3  LYS  18           HB1      LYS  18  47.932  15.578   8.674
  125    HG2  LYS  18           HG2      LYS  18  46.807  16.859  10.476
  126    HG3  LYS  18           HG1      LYS  18  46.397  15.336  11.300
  127    HD2  LYS  18           HD2      LYS  18  48.857  14.794  11.392
  128    HD3  LYS  18           HD1      LYS  18  49.192  16.412  10.730
  129    HE2  LYS  18           HE2      LYS  18  49.365  16.432  13.193
  130    HE3  LYS  18           HE1      LYS  18  47.998  17.436  12.656
  131    HZ1  LYS  18           HZ1      LYS  18  47.777  15.578  14.531
  132    HZ2  LYS  18           HZ2      LYS  18  47.432  14.619  13.171
  133    HZ3  LYS  18           HZ3      LYS  18  46.496  15.999  13.503
  134    H    ALA  19           HN       ALA  19  45.862  15.753   6.140
  135    HA   ALA  19           HA       ALA  19  44.425  18.240   6.353
  136    HB1  ALA  19           HB1      ALA  19  46.400  19.085   7.456
  137    HB2  ALA  19           HB2      ALA  19  46.354  19.750   5.804
  138    HB3  ALA  19           HB3      ALA  19  47.454  18.404   6.194
  139    H    ALA  20           HN       ALA  20  44.795  15.716   4.754
  140    HA   ALA  20           HA       ALA  20  44.727  15.090   2.523
  141    HB1  ALA  20           HB1      ALA  20  42.915  16.842   2.582
  142    HB2  ALA  20           HB2      ALA  20  43.673  16.611   0.987
  143    HB3  ALA  20           HB3      ALA  20  44.115  18.014   1.990
  144    H    LEU  21           HN       LEU  21  47.267  15.440   3.429
  145    HA   LEU  21           HA       LEU  21  49.434  15.841   2.725
  146    HB2  LEU  21           HB2      LEU  21  48.270  14.538   0.735
  147    HB3  LEU  21           HB1      LEU  21  48.436  16.078  -0.132
  148    HG   LEU  21           HG       LEU  21  50.690  14.479   1.172
  149   HD11  LEU  21          HD11      LEU  21  50.167  15.137  -1.758
  150   HD12  LEU  21          HD12      LEU  21  49.711  13.598  -0.989
  151   HD13  LEU  21          HD13      LEU  21  51.425  14.062  -1.104
  152   HD21  LEU  21          HD21      LEU  21  52.099  16.241  -0.126
  153   HD22  LEU  21          HD22      LEU  21  51.324  16.769   1.384
  154   HD23  LEU  21          HD23      LEU  21  50.604  17.205  -0.185
  155    H    THR  22           HN       THR  22  49.565  17.882   3.749
  156    HA   THR  22           HA       THR  22  50.217  20.038   1.918
  157    HB   THR  22           HB       THR  22  47.810  20.527   3.723
  158    HG1  THR  22           HG1      THR  22  47.197  19.227   2.003
  159   HG21  THR  22          HG21      THR  22  49.173  22.512   3.336
  160   HG22  THR  22          HG22      THR  22  47.689  22.632   2.361
  161   HG23  THR  22          HG23      THR  22  49.226  22.176   1.588
  162    H    HIS  23           HN       HIS  23  49.028  19.481   5.267
  163    HA   HIS  23           HA       HIS  23  49.913  20.174   7.297
  164    HB2  HIS  23           HB2      HIS  23  51.637  18.492   6.501
  165    HB3  HIS  23           HB1      HIS  23  52.603  19.866   5.912
  166    HD1  HIS  23           HD1      HIS  23  53.997  21.142   7.592
  167    HD2  HIS  23           HD2      HIS  23  51.259  18.516   9.406
  168    HE1  HIS  23           HE1      HIS  23  54.495  21.134  10.098
  169    H    TYR  24           HN       TYR  24  48.960  22.325   6.674
  170    HA   TYR  24           HA       TYR  24  50.503  24.439   5.591
  171    HB2  TYR  24           HB2      TYR  24  48.949  25.932   6.857
  172    HB3  TYR  24           HB1      TYR  24  48.101  24.643   5.968
  173    HD1  TYR  24           HD1      TYR  24  49.136  25.868   9.309
  174    HD2  TYR  24           HD2      TYR  24  47.055  22.766   7.148
  175    HE1  TYR  24           HE1      TYR  24  48.123  25.064  11.439
  176    HE2  TYR  24           HE2      TYR  24  46.042  21.962   9.278
  177    HH   TYR  24           HH       TYR  24  46.051  22.152  11.503
  178    H    LEU  25           HN       LEU  25  51.955  25.890   6.380
  179    HA   LEU  25           HA       LEU  25  53.437  25.096   8.757
  180    HB2  LEU  25           HB2      LEU  25  53.707  27.756   7.319
  181    HB3  LEU  25           HB1      LEU  25  54.956  26.820   8.174
  182    HG   LEU  25           HG       LEU  25  53.582  26.065   5.557
  183   HD11  LEU  25          HD11      LEU  25  55.841  26.324   4.615
  184   HD12  LEU  25          HD12      LEU  25  56.485  26.730   6.224
  185   HD13  LEU  25          HD13      LEU  25  55.341  27.831   5.418
  186   HD21  LEU  25          HD21      LEU  25  53.953  24.006   6.728
  187   HD22  LEU  25          HD22      LEU  25  55.520  24.561   7.365
  188   HD23  LEU  25          HD23      LEU  25  55.344  24.178   5.636
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  59.799   6.871  -6.855
    2    H2   GLY   1           HT2      GLY   1  58.906   5.533  -7.404
    3    H3   GLY   1           HT3      GLY   1  58.460   7.107  -7.864
    4    HA2  GLY   1           HA1      GLY   1  60.096   7.328  -9.358
    5    HA3  GLY   1           HA2      GLY   1  61.142   6.190  -8.488
    6    H    TRP   2           HN       TRP   2  60.987   5.936 -11.168
    7    HA   TRP   2           HA       TRP   2  58.894   4.297 -12.181
    8    HB2  TRP   2           HB2      TRP   2  61.844   4.350 -12.935
    9    HB3  TRP   2           HB1      TRP   2  60.543   3.624 -13.908
   10    HD1  TRP   2           HD1      TRP   2  61.749   7.029 -12.582
   11    HE1  TRP   2           HE1      TRP   2  60.767   8.926 -14.064
   12    HE3  TRP   2           HE3      TRP   2  58.678   4.218 -15.560
   13    HZ2  TRP   2           HZ2      TRP   2  58.898   9.158 -16.243
   14    HZ3  TRP   2           HZ3      TRP   2  57.304   5.297 -17.333
   15    HH2  TRP   2           HH2      TRP   2  57.411   7.762 -17.677
   16    H    GLY   3           HN       GLY   3  61.635   3.573 -10.118
   17    HA2  GLY   3           HA1      GLY   3  61.685   0.732 -10.586
   18    HA3  GLY   3           HA2      GLY   3  62.367   1.583  -9.186
   19    H    SER   4           HN       SER   4  60.374   2.644  -7.836
   20    HA   SER   4           HA       SER   4  59.207   0.501  -6.440
   21    HB2  SER   4           HB2      SER   4  59.383   2.951  -5.737
   22    HB3  SER   4           HB1      SER   4  57.926   3.242  -6.712
   23    HG   SER   4           HG       SER   4  58.147   1.275  -4.663
   24    H    PHE   5           HN       PHE   5  57.256  -0.558  -6.454
   25    HA   PHE   5           HA       PHE   5  56.016  -0.939  -9.015
   26    HB2  PHE   5           HB2      PHE   5  54.787  -1.602  -6.317
   27    HB3  PHE   5           HB1      PHE   5  54.518  -2.418  -7.877
   28    HD1  PHE   5           HD1      PHE   5  56.964  -1.830  -5.132
   29    HD2  PHE   5           HD2      PHE   5  56.117  -4.021  -8.754
   30    HE1  PHE   5           HE1      PHE   5  58.880  -3.351  -4.660
   31    HE2  PHE   5           HE2      PHE   5  58.034  -5.542  -8.282
   32    HZ   PHE   5           HZ       PHE   5  59.452  -5.168  -6.266
   33    H    PHE   6           HN       PHE   6  54.375   0.194  -6.030
   34    HA   PHE   6           HA       PHE   6  53.231   2.510  -7.443
   35    HB2  PHE   6           HB2      PHE   6  51.491   0.144  -6.638
   36    HB3  PHE   6           HB1      PHE   6  50.866   1.763  -7.032
   37    HD1  PHE   6           HD1      PHE   6  51.417   2.768  -9.325
   38    HD2  PHE   6           HD2      PHE   6  52.046  -1.398  -8.380
   39    HE1  PHE   6           HE1      PHE   6  51.504   2.228 -11.755
   40    HE2  PHE   6           HE2      PHE   6  52.132  -1.935 -10.811
   41    HZ   PHE   6           HZ       PHE   6  51.833  -0.127 -12.498
   42    H    LYS   7           HN       LYS   7  51.990   3.889  -6.041
   43    HA   LYS   7           HA       LYS   7  53.121   4.170  -3.459
   44    HB2  LYS   7           HB2      LYS   7  50.414   5.161  -4.437
   45    HB3  LYS   7           HB1      LYS   7  51.334   5.804  -3.053
   46    HG2  LYS   7           HG2      LYS   7  53.251   6.245  -4.693
   47    HG3  LYS   7           HG1      LYS   7  52.098   5.890  -5.999
   48    HD2  LYS   7           HD2      LYS   7  51.829   8.068  -3.880
   49    HD3  LYS   7           HD1      LYS   7  52.173   8.310  -5.608
   50    HE2  LYS   7           HE2      LYS   7  49.601   7.373  -4.297
   51    HE3  LYS   7           HE1      LYS   7  49.843   8.704  -5.452
   52    HZ1  LYS   7           HZ1      LYS   7  49.603   5.831  -5.937
   53    HZ2  LYS   7           HZ2      LYS   7  50.696   6.684  -6.919
   54    HZ3  LYS   7           HZ3      LYS   7  49.060   7.140  -6.867
   55    H    LYS   8           HN       LYS   8  49.681   3.351  -4.116
   56    HA   LYS   8           HA       LYS   8  48.185   2.104  -2.852
   57    HB2  LYS   8           HB2      LYS   8  49.680   0.279  -3.662
   58    HB3  LYS   8           HB1      LYS   8  50.660   0.460  -2.186
   59    HG2  LYS   8           HG2      LYS   8  48.770  -0.139  -0.781
   60    HG3  LYS   8           HG1      LYS   8  47.669  -0.130  -2.180
   61    HD2  LYS   8           HD2      LYS   8  48.903  -2.007  -3.192
   62    HD3  LYS   8           HD1      LYS   8  50.057  -1.998  -1.837
   63    HE2  LYS   8           HE2      LYS   8  48.295  -2.581  -0.258
   64    HE3  LYS   8           HE1      LYS   8  47.054  -2.424  -1.524
   65    HZ1  LYS   8           HZ1      LYS   8  49.236  -4.219  -2.169
   66    HZ2  LYS   8           HZ2      LYS   8  47.562  -4.420  -2.375
   67    HZ3  LYS   8           HZ3      LYS   8  48.278  -4.726  -0.865
   68    H    ALA   9           HN       ALA   9  47.539   3.524  -1.278
   69    HA   ALA   9           HA       ALA   9  48.379   2.877   1.433
   70    HB1  ALA   9           HB1      ALA   9  50.252   4.307   0.949
   71    HB2  ALA   9           HB2      ALA   9  49.124   5.223   1.977
   72    HB3  ALA   9           HB3      ALA   9  49.194   5.540   0.227
   73    H    ALA  10           HN       ALA  10  46.555   2.936   2.549
   74    HA   ALA  10           HA       ALA  10  44.150   4.105   1.564
   75    HB1  ALA  10           HB1      ALA  10  44.327   2.287   3.279
   76    HB2  ALA  10           HB2      ALA  10  43.222   3.604   3.738
   77    HB3  ALA  10           HB3      ALA  10  44.847   3.511   4.459
   78    H    HIS  11           HN       HIS  11  42.843   5.687   3.044
   79    HA   HIS  11           HA       HIS  11  44.067   8.251   2.778
   80    HB2  HIS  11           HB2      HIS  11  42.133   9.049   4.156
   81    HB3  HIS  11           HB1      HIS  11  41.649   7.998   2.803
   82    HD1  HIS  11           HD1      HIS  11  41.682   8.246   6.533
   83    HD2  HIS  11           HD2      HIS  11  40.849   5.336   3.613
   84    HE1  HIS  11           HE1      HIS  11  40.509   6.304   7.707
   85    H    ALA  12           HN       ALA  12  43.323   6.360   5.749
   86    HA   ALA  12           HA       ALA  12  44.208   6.543   7.887
   87    HB1  ALA  12           HB1      ALA  12  46.664   6.725   8.008
   88    HB2  ALA  12           HB2      ALA  12  46.707   7.246   6.307
   89    HB3  ALA  12           HB3      ALA  12  46.157   5.605   6.723
   90    H    GLY  13           HN       GLY  13  42.906   8.890   6.814
   91    HA2  GLY  13           HA1      GLY  13  43.762  10.788   8.811
   92    HA3  GLY  13           HA2      GLY  13  44.287  11.301   7.196
   93    H    LYS  14           HN       LYS  14  42.649  11.524   5.511
   94    HA   LYS  14           HA       LYS  14  39.837  11.570   6.279
   95    HB2  LYS  14           HB2      LYS  14  40.579  13.623   7.428
   96    HB3  LYS  14           HB1      LYS  14  41.267  14.234   5.904
   97    HG2  LYS  14           HG2      LYS  14  39.094  14.343   4.864
   98    HG3  LYS  14           HG1      LYS  14  38.339  13.453   6.210
   99    HD2  LYS  14           HD2      LYS  14  38.747  15.293   7.743
  100    HD3  LYS  14           HD1      LYS  14  39.706  16.160   6.519
  101    HE2  LYS  14           HE2      LYS  14  37.359  17.031   6.716
  102    HE3  LYS  14           HE1      LYS  14  37.737  16.415   5.090
  103    HZ1  LYS  14           HZ1      LYS  14  36.585  14.413   5.542
  104    HZ2  LYS  14           HZ2      LYS  14  35.561  15.670   6.046
  105    HZ3  LYS  14           HZ3      LYS  14  36.431  14.769   7.194
  106    H    HIS  15           HN       HIS  15  41.551  13.861   4.145
  107    HA   HIS  15           HA       HIS  15  39.928  12.997   1.877
  108    HB2  HIS  15           HB2      HIS  15  40.693  15.351   2.208
  109    HB3  HIS  15           HB1      HIS  15  42.368  14.816   1.934
  110    HD1  HIS  15           HD1      HIS  15  43.154  14.863  -0.434
  111    HD2  HIS  15           HD2      HIS  15  38.971  14.528  -0.174
  112    HE1  HIS  15           HE1      HIS  15  42.230  14.981  -2.814
  113    H    ALA  16           HN       ALA  16  43.403  12.805   2.749
  114    HA   ALA  16           HA       ALA  16  43.699  10.220   1.515
  115    HB1  ALA  16           HB1      ALA  16  43.530  11.400  -0.587
  116    HB2  ALA  16           HB2      ALA  16  45.230  10.938  -0.339
  117    HB3  ALA  16           HB3      ALA  16  44.711  12.617  -0.050
  118    H    GLY  17           HN       GLY  17  44.693  12.883   3.310
  119    HA2  GLY  17           HA1      GLY  17  46.831  11.430   4.558
  120    HA3  GLY  17           HA2      GLY  17  47.498  12.632   3.435
  121    H    LYS  18           HN       LYS  18  44.839  12.449   5.843
  122    HA   LYS  18           HA       LYS  18  44.195  13.982   7.465
  123    HB2  LYS  18           HB2      LYS  18  47.208  14.405   7.509
  124    HB3  LYS  18           HB1      LYS  18  46.090  15.123   8.694
  125    HG2  LYS  18           HG2      LYS  18  45.307  12.894   9.359
  126    HG3  LYS  18           HG1      LYS  18  46.338  12.138   8.120
  127    HD2  LYS  18           HD2      LYS  18  48.339  13.207   9.248
  128    HD3  LYS  18           HD1      LYS  18  47.249  13.717  10.561
  129    HE2  LYS  18           HE2      LYS  18  47.786  10.853   9.661
  130    HE3  LYS  18           HE1      LYS  18  48.330  11.606  11.179
  131    HZ1  LYS  18           HZ1      LYS  18  45.970  11.969  11.739
  132    HZ2  LYS  18           HZ2      LYS  18  46.357  10.322  11.579
  133    HZ3  LYS  18           HZ3      LYS  18  45.513  11.123  10.341
  134    H    ALA  19           HN       ALA  19  46.930  16.041   6.698
  135    HA   ALA  19           HA       ALA  19  45.071  18.222   5.973
  136    HB1  ALA  19           HB1      ALA  19  46.897  18.802   7.411
  137    HB2  ALA  19           HB2      ALA  19  47.232  19.532   5.822
  138    HB3  ALA  19           HB3      ALA  19  48.080  18.048   6.319
  139    H    ALA  20           HN       ALA  20  45.018  16.039   4.163
  140    HA   ALA  20           HA       ALA  20  45.108  15.631   1.887
  141    HB1  ALA  20           HB1      ALA  20  45.708  18.588   1.588
  142    HB2  ALA  20           HB2      ALA  20  44.080  17.939   1.898
  143    HB3  ALA  20           HB3      ALA  20  44.944  17.504   0.403
  144    H    LEU  21           HN       LEU  21  46.971  14.338   2.019
  145    HA   LEU  21           HA       LEU  21  49.164  13.753   1.540
  146    HB2  LEU  21           HB2      LEU  21  49.209  16.124  -0.356
  147    HB3  LEU  21           HB1      LEU  21  50.029  14.552  -0.521
  148    HG   LEU  21           HG       LEU  21  47.021  15.053  -0.637
  149   HD11  LEU  21          HD11      LEU  21  48.266  15.728  -2.666
  150   HD12  LEU  21          HD12      LEU  21  47.287  14.276  -2.981
  151   HD13  LEU  21          HD13      LEU  21  49.043  14.129  -2.728
  152   HD21  LEU  21          HD21      LEU  21  47.054  12.557  -1.337
  153   HD22  LEU  21          HD22      LEU  21  47.291  12.909   0.390
  154   HD23  LEU  21          HD23      LEU  21  48.689  12.503  -0.635
  155    H    THR  22           HN       THR  22  48.660  15.768   3.682
  156    HA   THR  22           HA       THR  22  49.883  17.217   5.025
  157    HB   THR  22           HB       THR  22  52.353  15.891   3.831
  158    HG1  THR  22           HG1      THR  22  50.875  14.926   6.036
  159   HG21  THR  22          HG21      THR  22  53.245  16.241   6.102
  160   HG22  THR  22          HG22      THR  22  51.694  16.948   6.614
  161   HG23  THR  22          HG23      THR  22  52.698  17.785   5.405
  162    H    HIS  23           HN       HIS  23  49.058  18.797   3.236
  163    HA   HIS  23           HA       HIS  23  51.056  19.859   1.418
  164    HB2  HIS  23           HB2      HIS  23  48.628  20.098   1.024
  165    HB3  HIS  23           HB1      HIS  23  48.491  21.118   2.474
  166    HD1  HIS  23           HD1      HIS  23  48.266  23.494   1.752
  167    HD2  HIS  23           HD2      HIS  23  51.125  21.416  -0.524
  168    HE1  HIS  23           HE1      HIS  23  49.294  25.163   0.115
  169    H    TYR  24           HN       TYR  24  49.382  21.783   3.918
  170    HA   TYR  24           HA       TYR  24  51.445  23.673   4.222
  171    HB2  TYR  24           HB2      TYR  24  49.464  22.708   6.324
  172    HB3  TYR  24           HB1      TYR  24  50.382  24.232   6.382
  173    HD1  TYR  24           HD1      TYR  24  47.606  22.408   4.766
  174    HD2  TYR  24           HD2      TYR  24  49.902  26.063   4.796
  175    HE1  TYR  24           HE1      TYR  24  45.866  23.513   3.365
  176    HE2  TYR  24           HE2      TYR  24  48.163  27.167   3.395
  177    HH   TYR  24           HH       TYR  24  45.788  26.930   2.949
  178    H    LEU  25           HN       LEU  25  52.584  24.056   6.434
  179    HA   LEU  25           HA       LEU  25  53.481  21.676   7.846
  180    HB2  LEU  25           HB2      LEU  25  55.973  22.167   7.075
  181    HB3  LEU  25           HB1      LEU  25  54.921  21.131   6.085
  182    HG   LEU  25           HG       LEU  25  54.376  23.001   4.609
  183   HD11  LEU  25          HD11      LEU  25  55.996  24.601   6.630
  184   HD12  LEU  25          HD12      LEU  25  54.336  24.902   6.058
  185   HD13  LEU  25          HD13      LEU  25  55.715  25.185   4.974
  186   HD21  LEU  25          HD21      LEU  25  56.439  21.709   4.153
  187   HD22  LEU  25          HD22      LEU  25  57.370  22.825   5.180
  188   HD23  LEU  25          HD23      LEU  25  56.635  23.410   3.667
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  55.387   1.362 -10.390
    2    H2   GLY   1           HT2      GLY   1  56.903   1.447 -11.155
    3    H3   GLY   1           HT3      GLY   1  55.707   2.605 -11.497
    4    HA2  GLY   1           HA1      GLY   1  56.693   3.865 -10.028
    5    HA3  GLY   1           HA2      GLY   1  55.917   2.795  -8.844
    6    H    TRP   2           HN       TRP   2  58.472   4.298  -8.728
    7    HA   TRP   2           HA       TRP   2  60.655   2.436  -9.007
    8    HB2  TRP   2           HB2      TRP   2  60.380   4.888  -7.221
    9    HB3  TRP   2           HB1      TRP   2  61.902   4.050  -7.611
   10    HD1  TRP   2           HD1      TRP   2  59.287   6.385  -9.072
   11    HE1  TRP   2           HE1      TRP   2  60.105   7.318 -11.358
   12    HE3  TRP   2           HE3      TRP   2  63.433   3.450  -9.703
   13    HZ2  TRP   2           HZ2      TRP   2  62.276   6.832 -13.187
   14    HZ3  TRP   2           HZ3      TRP   2  64.864   3.702 -11.726
   15    HH2  TRP   2           HH2      TRP   2  64.288   5.389 -13.467
   16    H    GLY   3           HN       GLY   3  60.876   0.593  -7.932
   17    HA2  GLY   3           HA1      GLY   3  61.039  -0.850  -6.128
   18    HA3  GLY   3           HA2      GLY   3  60.945   0.557  -5.052
   19    H    SER   4           HN       SER   4  58.749   1.519  -4.735
   20    HA   SER   4           HA       SER   4  56.967  -0.426  -3.722
   21    HB2  SER   4           HB2      SER   4  56.205   2.348  -4.702
   22    HB3  SER   4           HB1      SER   4  55.380   1.378  -3.463
   23    HG   SER   4           HG       SER   4  58.118   1.905  -3.157
   24    H    PHE   5           HN       PHE   5  55.019  -1.303  -4.422
   25    HA   PHE   5           HA       PHE   5  54.878  -1.740  -7.327
   26    HB2  PHE   5           HB2      PHE   5  53.157  -2.697  -5.006
   27    HB3  PHE   5           HB1      PHE   5  52.932  -3.194  -6.700
   28    HD1  PHE   5           HD1      PHE   5  54.890  -3.671  -3.656
   29    HD2  PHE   5           HD2      PHE   5  54.828  -4.363  -7.917
   30    HE1  PHE   5           HE1      PHE   5  56.672  -5.393  -3.402
   31    HE2  PHE   5           HE2      PHE   5  56.610  -6.086  -7.662
   32    HZ   PHE   5           HZ       PHE   5  57.586  -6.542  -5.416
   33    H    PHE   6           HN       PHE   6  54.560   0.704  -7.608
   34    HA   PHE   6           HA       PHE   6  53.148   2.443  -8.201
   35    HB2  PHE   6           HB2      PHE   6  51.015   0.286  -8.412
   36    HB3  PHE   6           HB1      PHE   6  51.053   1.855  -9.252
   37    HD1  PHE   6           HD1      PHE   6  52.771   2.305 -11.009
   38    HD2  PHE   6           HD2      PHE   6  52.351  -1.585  -9.183
   39    HE1  PHE   6           HE1      PHE   6  54.105   1.293 -12.857
   40    HE2  PHE   6           HE2      PHE   6  53.685  -2.595 -11.030
   41    HZ   PHE   6           HZ       PHE   6  54.576  -1.154 -12.857
   42    H    LYS   7           HN       LYS   7  50.977   3.551  -7.695
   43    HA   LYS   7           HA       LYS   7  50.788   3.718  -4.788
   44    HB2  LYS   7           HB2      LYS   7  48.943   4.990  -6.840
   45    HB3  LYS   7           HB1      LYS   7  49.263   5.533  -5.177
   46    HG2  LYS   7           HG2      LYS   7  51.341   5.429  -7.415
   47    HG3  LYS   7           HG1      LYS   7  50.489   6.895  -6.877
   48    HD2  LYS   7           HD2      LYS   7  51.399   6.315  -4.502
   49    HD3  LYS   7           HD1      LYS   7  52.509   5.211  -5.349
   50    HE2  LYS   7           HE2      LYS   7  53.266   7.137  -6.773
   51    HE3  LYS   7           HE1      LYS   7  52.246   8.216  -5.790
   52    HZ1  LYS   7           HZ1      LYS   7  53.843   6.586  -4.114
   53    HZ2  LYS   7           HZ2      LYS   7  53.809   8.280  -4.240
   54    HZ3  LYS   7           HZ3      LYS   7  54.835   7.370  -5.244
   55    H    LYS   8           HN       LYS   8  48.985   2.157  -7.372
   56    HA   LYS   8           HA       LYS   8  47.107   0.795  -7.313
   57    HB2  LYS   8           HB2      LYS   8  48.189   0.341  -4.506
   58    HB3  LYS   8           HB1      LYS   8  46.872  -0.616  -5.228
   59    HG2  LYS   8           HG2      LYS   8  48.291  -1.480  -6.944
   60    HG3  LYS   8           HG1      LYS   8  49.555  -0.269  -6.625
   61    HD2  LYS   8           HD2      LYS   8  50.123  -2.536  -5.716
   62    HD3  LYS   8           HD1      LYS   8  50.049  -1.281  -4.458
   63    HE2  LYS   8           HE2      LYS   8  47.605  -2.966  -5.104
   64    HE3  LYS   8           HE1      LYS   8  48.864  -3.566  -3.999
   65    HZ1  LYS   8           HZ1      LYS   8  46.838  -1.629  -3.524
   66    HZ2  LYS   8           HZ2      LYS   8  48.373  -0.959  -3.237
   67    HZ3  LYS   8           HZ3      LYS   8  47.893  -2.371  -2.424
   68    H    ALA   9           HN       ALA   9  46.826   1.421  -3.850
   69    HA   ALA   9           HA       ALA   9  44.859   3.554  -4.158
   70    HB1  ALA   9           HB1      ALA   9  43.503   1.635  -4.908
   71    HB2  ALA   9           HB2      ALA   9  42.915   2.283  -3.358
   72    HB3  ALA   9           HB3      ALA   9  43.873   0.783  -3.392
   73    H    ALA  10           HN       ALA  10  47.269   3.213  -2.703
   74    HA   ALA  10           HA       ALA  10  46.740   2.438   0.028
   75    HB1  ALA  10           HB1      ALA  10  48.846   4.300  -1.126
   76    HB2  ALA  10           HB2      ALA  10  49.007   2.541  -0.903
   77    HB3  ALA  10           HB3      ALA  10  48.859   3.610   0.513
   78    H    HIS  11           HN       HIS  11  47.675   4.525   1.577
   79    HA   HIS  11           HA       HIS  11  46.203   6.976   1.062
   80    HB2  HIS  11           HB2      HIS  11  44.561   6.756   2.893
   81    HB3  HIS  11           HB1      HIS  11  44.290   5.525   1.636
   82    HD1  HIS  11           HD1      HIS  11  44.114   5.697   5.107
   83    HD2  HIS  11           HD2      HIS  11  46.151   3.098   2.504
   84    HE1  HIS  11           HE1      HIS  11  44.663   3.576   6.424
   85    H    ALA  12           HN       ALA  12  48.829   6.653   1.581
   86    HA   ALA  12           HA       ALA  12  49.467   6.733   4.404
   87    HB1  ALA  12           HB1      ALA  12  51.058   6.149   2.544
   88    HB2  ALA  12           HB2      ALA  12  51.678   7.366   3.686
   89    HB3  ALA  12           HB3      ALA  12  51.069   7.869   2.091
   90    H    GLY  13           HN       GLY  13  51.036   8.852   4.889
   91    HA2  GLY  13           HA1      GLY  13  49.176  10.895   5.566
   92    HA3  GLY  13           HA2      GLY  13  50.944  11.044   5.613
   93    H    LYS  14           HN       LYS  14  48.096  11.216   3.474
   94    HA   LYS  14           HA       LYS  14  49.060  13.644   2.240
   95    HB2  LYS  14           HB2      LYS  14  50.575  11.929   1.156
   96    HB3  LYS  14           HB1      LYS  14  49.120  11.189   0.446
   97    HG2  LYS  14           HG2      LYS  14  48.563  13.288  -0.694
   98    HG3  LYS  14           HG1      LYS  14  49.942  14.104   0.080
   99    HD2  LYS  14           HD2      LYS  14  51.524  12.667  -1.080
  100    HD3  LYS  14           HD1      LYS  14  50.203  11.670  -1.735
  101    HE2  LYS  14           HE2      LYS  14  49.338  13.624  -2.984
  102    HE3  LYS  14           HE1      LYS  14  50.653  14.628  -2.325
  103    HZ1  LYS  14           HZ1      LYS  14  51.258  13.850  -4.497
  104    HZ2  LYS  14           HZ2      LYS  14  50.942  12.236  -4.074
  105    HZ3  LYS  14           HZ3      LYS  14  52.239  13.067  -3.357
  106    H    HIS  15           HN       HIS  15  47.319  10.766   0.972
  107    HA   HIS  15           HA       HIS  15  45.151  12.353  -0.063
  108    HB2  HIS  15           HB2      HIS  15  45.367   9.386   0.583
  109    HB3  HIS  15           HB1      HIS  15  43.992  10.126  -0.273
  110    HD1  HIS  15           HD1      HIS  15  46.270  12.239  -1.612
  111    HD2  HIS  15           HD2      HIS  15  46.006   8.055  -1.939
  112    HE1  HIS  15           HE1      HIS  15  47.473  11.565  -3.763
  113    H    ALA  16           HN       ALA  16  45.986  11.495   3.102
  114    HA   ALA  16           HA       ALA  16  43.562  12.656   4.173
  115    HB1  ALA  16           HB1      ALA  16  42.627  10.709   5.272
  116    HB2  ALA  16           HB2      ALA  16  43.918   9.672   4.619
  117    HB3  ALA  16           HB3      ALA  16  42.715  10.394   3.523
  118    H    GLY  17           HN       GLY  17  46.041  13.493   4.569
  119    HA2  GLY  17           HA1      GLY  17  47.350  12.195   6.822
  120    HA3  GLY  17           HA2      GLY  17  47.742  13.780   6.126
  121    H    LYS  18           HN       LYS  18  45.097  12.191   7.965
  122    HA   LYS  18           HA       LYS  18  43.935  12.906   9.829
  123    HB2  LYS  18           HB2      LYS  18  46.388  13.294  10.605
  124    HB3  LYS  18           HB1      LYS  18  46.067  15.018  10.313
  125    HG2  LYS  18           HG2      LYS  18  44.178  14.968  11.884
  126    HG3  LYS  18           HG1      LYS  18  44.391  13.216  12.123
  127    HD2  LYS  18           HD2      LYS  18  46.713  13.660  12.965
  128    HD3  LYS  18           HD1      LYS  18  46.387  15.406  12.841
  129    HE2  LYS  18           HE2      LYS  18  44.803  13.420  14.529
  130    HE3  LYS  18           HE1      LYS  18  45.992  14.591  15.148
  131    HZ1  LYS  18           HZ1      LYS  18  43.279  15.025  14.169
  132    HZ2  LYS  18           HZ2      LYS  18  44.426  16.201  13.738
  133    HZ3  LYS  18           HZ3      LYS  18  44.144  15.845  15.376
  134    H    ALA  19           HN       ALA  19  44.496  14.786   7.141
  135    HA   ALA  19           HA       ALA  19  42.078  16.303   7.513
  136    HB1  ALA  19           HB1      ALA  19  43.338  17.677   9.033
  137    HB2  ALA  19           HB2      ALA  19  43.162  18.580   7.509
  138    HB3  ALA  19           HB3      ALA  19  44.702  17.777   7.898
  139    H    ALA  20           HN       ALA  20  44.860  17.863   6.063
  140    HA   ALA  20           HA       ALA  20  44.512  16.654   3.432
  141    HB1  ALA  20           HB1      ALA  20  43.546  18.519   2.279
  142    HB2  ALA  20           HB2      ALA  20  43.601  19.531   3.742
  143    HB3  ALA  20           HB3      ALA  20  42.481  18.148   3.656
  144    H    LEU  21           HN       LEU  21  46.683  16.432   3.236
  145    HA   LEU  21           HA       LEU  21  48.895  17.064   2.944
  146    HB2  LEU  21           HB2      LEU  21  47.884  19.848   2.277
  147    HB3  LEU  21           HB1      LEU  21  49.297  18.989   1.618
  148    HG   LEU  21           HG       LEU  21  46.362  18.295   1.151
  149   HD11  LEU  21          HD11      LEU  21  48.542  19.151  -0.802
  150   HD12  LEU  21          HD12      LEU  21  47.348  20.267  -0.095
  151   HD13  LEU  21          HD13      LEU  21  46.809  18.937  -1.148
  152   HD21  LEU  21          HD21      LEU  21  48.953  16.877   0.398
  153   HD22  LEU  21          HD22      LEU  21  47.438  16.620  -0.500
  154   HD23  LEU  21          HD23      LEU  21  47.530  16.203   1.226
  155    H    THR  22           HN       THR  22  47.449  17.560   5.555
  156    HA   THR  22           HA       THR  22  47.926  18.505   7.613
  157    HB   THR  22           HB       THR  22  50.748  19.070   6.614
  158    HG1  THR  22           HG1      THR  22  51.112  17.003   6.461
  159   HG21  THR  22          HG21      THR  22  49.697  17.961   9.253
  160   HG22  THR  22          HG22      THR  22  50.033  19.684   8.963
  161   HG23  THR  22          HG23      THR  22  51.355  18.497   8.898
  162    H    HIS  23           HN       HIS  23  46.657  20.233   5.896
  163    HA   HIS  23           HA       HIS  23  46.260  22.488   5.523
  164    HB2  HIS  23           HB2      HIS  23  47.885  22.740   8.084
  165    HB3  HIS  23           HB1      HIS  23  46.858  24.014   7.384
  166    HD1  HIS  23           HD1      HIS  23  44.552  24.090   8.314
  167    HD2  HIS  23           HD2      HIS  23  46.211  20.233   8.545
  168    HE1  HIS  23           HE1      HIS  23  42.820  22.583   9.434
  169    H    TYR  24           HN       TYR  24  47.313  24.729   5.304
  170    HA   TYR  24           HA       TYR  24  49.871  24.333   3.809
  171    HB2  TYR  24           HB2      TYR  24  47.890  26.641   3.941
  172    HB3  TYR  24           HB1      TYR  24  49.381  26.641   2.967
  173    HD1  TYR  24           HD1      TYR  24  49.525  25.401   0.901
  174    HD2  TYR  24           HD2      TYR  24  46.086  24.954   3.473
  175    HE1  TYR  24           HE1      TYR  24  48.337  24.159  -0.902
  176    HE2  TYR  24           HE2      TYR  24  44.900  23.711   1.668
  177    HH   TYR  24           HH       TYR  24  46.333  23.406  -1.582
  178    H    LEU  25           HN       LEU  25  51.784  25.119   4.452
  179    HA   LEU  25           HA       LEU  25  52.013  26.191   7.154
  180    HB2  LEU  25           HB2      LEU  25  54.204  26.195   5.051
  181    HB3  LEU  25           HB1      LEU  25  54.358  26.059   6.819
  182    HG   LEU  25           HG       LEU  25  53.151  23.984   4.936
  183   HD11  LEU  25          HD11      LEU  25  55.655  23.977   6.681
  184   HD12  LEU  25          HD12      LEU  25  55.623  24.110   4.906
  185   HD13  LEU  25          HD13      LEU  25  55.074  22.613   5.697
  186   HD21  LEU  25          HD21      LEU  25  53.151  22.599   7.122
  187   HD22  LEU  25          HD22      LEU  25  51.893  23.847   6.969
  188   HD23  LEU  25          HD23      LEU  25  53.331  24.152   7.973
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1  65.376  -1.952 -11.631
    2    H2   GLY   1           HT2      GLY   1  65.428  -0.390 -10.965
    3    H3   GLY   1           HT3      GLY   1  65.170  -0.601 -12.631
    4    HA2  GLY   1           HA1      GLY   1  63.363  -1.459 -10.470
    5    HA3  GLY   1           HA2      GLY   1  63.150  -0.027 -11.497
    6    H    TRP   2           HN       TRP   2  62.873  -3.482 -11.230
    7    HA   TRP   2           HA       TRP   2  62.436  -4.064 -14.016
    8    HB2  TRP   2           HB2      TRP   2  61.397  -5.480 -11.529
    9    HB3  TRP   2           HB1      TRP   2  61.403  -6.149 -13.177
   10    HD1  TRP   2           HD1      TRP   2  63.712  -5.257 -10.276
   11    HE1  TRP   2           HE1      TRP   2  66.061  -6.302 -10.665
   12    HE3  TRP   2           HE3      TRP   2  63.057  -6.952 -15.063
   13    HZ2  TRP   2           HZ2      TRP   2  67.438  -7.682 -12.784
   14    HZ3  TRP   2           HZ3      TRP   2  64.903  -8.130 -16.248
   15    HH2  TRP   2           HH2      TRP   2  67.091  -8.496 -15.114
   16    H    GLY   3           HN       GLY   3  60.397  -2.822 -11.424
   17    HA2  GLY   3           HA1      GLY   3  58.493  -1.620 -13.041
   18    HA3  GLY   3           HA2      GLY   3  57.896  -3.279 -12.839
   19    H    SER   4           HN       SER   4  58.199  -4.037 -10.394
   20    HA   SER   4           HA       SER   4  56.383  -2.343  -8.897
   21    HB2  SER   4           HB2      SER   4  56.528  -4.863  -8.746
   22    HB3  SER   4           HB1      SER   4  58.057  -4.661  -7.864
   23    HG   SER   4           HG       SER   4  55.497  -3.627  -7.147
   24    H    PHE   5           HN       PHE   5  56.748  -0.857  -7.354
   25    HA   PHE   5           HA       PHE   5  59.195  -0.738  -5.823
   26    HB2  PHE   5           HB2      PHE   5  60.137   0.052  -7.955
   27    HB3  PHE   5           HB1      PHE   5  58.885   1.312  -8.053
   28    HD1  PHE   5           HD1      PHE   5  59.387   3.449  -7.167
   29    HD2  PHE   5           HD2      PHE   5  61.491  -0.008  -5.662
   30    HE1  PHE   5           HE1      PHE   5  60.796   4.926  -5.739
   31    HE2  PHE   5           HE2      PHE   5  62.899   1.472  -4.236
   32    HZ   PHE   5           HZ       PHE   5  62.494   3.930  -4.213
   33    H    PHE   6           HN       PHE   6  57.302   1.935  -7.267
   34    HA   PHE   6           HA       PHE   6  56.861   3.247  -4.786
   35    HB2  PHE   6           HB2      PHE   6  55.129   4.524  -5.987
   36    HB3  PHE   6           HB1      PHE   6  56.589   4.337  -6.986
   37    HD1  PHE   6           HD1      PHE   6  56.625   2.764  -8.896
   38    HD2  PHE   6           HD2      PHE   6  53.049   3.386  -6.560
   39    HE1  PHE   6           HE1      PHE   6  55.271   1.668 -10.678
   40    HE2  PHE   6           HE2      PHE   6  51.695   2.291  -8.342
   41    HZ   PHE   6           HZ       PHE   6  52.794   1.517 -10.441
   42    H    LYS   7           HN       LYS   7  54.203   3.813  -4.533
   43    HA   LYS   7           HA       LYS   7  52.604   1.377  -4.374
   44    HB2  LYS   7           HB2      LYS   7  52.420   1.347  -1.897
   45    HB3  LYS   7           HB1      LYS   7  54.066   0.957  -2.453
   46    HG2  LYS   7           HG2      LYS   7  54.602   3.462  -2.147
   47    HG3  LYS   7           HG1      LYS   7  53.055   3.576  -1.273
   48    HD2  LYS   7           HD2      LYS   7  55.348   1.690  -0.567
   49    HD3  LYS   7           HD1      LYS   7  54.964   3.206   0.280
   50    HE2  LYS   7           HE2      LYS   7  52.590   2.192   0.614
   51    HE3  LYS   7           HE1      LYS   7  53.342   0.642   0.162
   52    HZ1  LYS   7           HZ1      LYS   7  53.832   2.339   2.517
   53    HZ2  LYS   7           HZ2      LYS   7  55.096   1.372   1.924
   54    HZ3  LYS   7           HZ3      LYS   7  53.637   0.657   2.419
   55    H    LYS   8           HN       LYS   8  50.517   1.912  -4.469
   56    HA   LYS   8           HA       LYS   8  49.654   4.568  -4.811
   57    HB2  LYS   8           HB2      LYS   8  47.373   3.696  -4.485
   58    HB3  LYS   8           HB1      LYS   8  48.341   2.591  -5.490
   59    HG2  LYS   8           HG2      LYS   8  48.888   1.322  -3.322
   60    HG3  LYS   8           HG1      LYS   8  47.609   2.290  -2.551
   61    HD2  LYS   8           HD2      LYS   8  47.231   0.537  -5.021
   62    HD3  LYS   8           HD1      LYS   8  46.765   0.083  -3.366
   63    HE2  LYS   8           HE2      LYS   8  45.376   2.284  -3.358
   64    HE3  LYS   8           HE1      LYS   8  45.604   2.269  -5.124
   65    HZ1  LYS   8           HZ1      LYS   8  44.860  -0.259  -4.661
   66    HZ2  LYS   8           HZ2      LYS   8  43.780   0.989  -5.069
   67    HZ3  LYS   8           HZ3      LYS   8  43.989   0.539  -3.444
   68    H    ALA   9           HN       ALA   9  48.265   5.919  -3.510
   69    HA   ALA   9           HA       ALA   9  48.067   5.456  -0.642
   70    HB1  ALA   9           HB1      ALA   9  50.493   6.123  -0.954
   71    HB2  ALA   9           HB2      ALA   9  49.550   7.163   0.140
   72    HB3  ALA   9           HB3      ALA   9  49.905   7.704  -1.518
   73    H    ALA  10           HN       ALA  10  45.947   5.789  -1.975
   74    HA   ALA  10           HA       ALA  10  45.120   8.274  -2.954
   75    HB1  ALA  10           HB1      ALA  10  42.861   7.580  -2.445
   76    HB2  ALA  10           HB2      ALA  10  43.447   6.423  -1.225
   77    HB3  ALA  10           HB3      ALA  10  43.794   6.151  -2.950
   78    H    HIS  11           HN       HIS  11  44.110   7.186   0.307
   79    HA   HIS  11           HA       HIS  11  45.154   9.550   1.625
   80    HB2  HIS  11           HB2      HIS  11  42.941  10.577   2.165
   81    HB3  HIS  11           HB1      HIS  11  43.350  10.683   0.436
   82    HD1  HIS  11           HD1      HIS  11  42.551   7.242   1.020
   83    HD2  HIS  11           HD2      HIS  11  40.251  10.735   0.576
   84    HE1  HIS  11           HE1      HIS  11  40.182   6.519   0.390
   85    H    ALA  12           HN       ALA  12  45.818   7.381   2.616
   86    HA   ALA  12           HA       ALA  12  43.958   5.791   4.067
   87    HB1  ALA  12           HB1      ALA  12  46.860   6.430   4.699
   88    HB2  ALA  12           HB2      ALA  12  46.275   5.111   3.656
   89    HB3  ALA  12           HB3      ALA  12  45.918   5.093   5.400
   90    H    GLY  13           HN       GLY  13  45.612   8.825   4.877
   91    HA2  GLY  13           HA1      GLY  13  44.788   8.809   7.655
   92    HA3  GLY  13           HA2      GLY  13  45.429  10.191   6.746
   93    H    LYS  14           HN       LYS  14  44.006  11.724   7.455
   94    HA   LYS  14           HA       LYS  14  41.139  11.253   7.511
   95    HB2  LYS  14           HB2      LYS  14  42.773  13.821   7.577
   96    HB3  LYS  14           HB1      LYS  14  41.019  13.723   7.870
   97    HG2  LYS  14           HG2      LYS  14  41.507  12.053   9.716
   98    HG3  LYS  14           HG1      LYS  14  43.238  12.413   9.497
   99    HD2  LYS  14           HD2      LYS  14  42.848  14.780  10.011
  100    HD3  LYS  14           HD1      LYS  14  41.095  14.489  10.134
  101    HE2  LYS  14           HE2      LYS  14  41.393  13.059  12.064
  102    HE3  LYS  14           HE1      LYS  14  43.162  13.076  11.869
  103    HZ1  LYS  14           HZ1      LYS  14  43.323  15.093  12.807
  104    HZ2  LYS  14           HZ2      LYS  14  41.801  14.738  13.472
  105    HZ3  LYS  14           HZ3      LYS  14  41.917  15.689  12.069
  106    H    HIS  15           HN       HIS  15  43.259  13.258   5.402
  107    HA   HIS  15           HA       HIS  15  41.746  12.527   3.035
  108    HB2  HIS  15           HB2      HIS  15  40.175  14.152   4.193
  109    HB3  HIS  15           HB1      HIS  15  41.420  15.404   3.971
  110    HD1  HIS  15           HD1      HIS  15  39.196  13.022   1.967
  111    HD2  HIS  15           HD2      HIS  15  41.449  16.530   1.421
  112    HE1  HIS  15           HE1      HIS  15  38.744  13.856  -0.405
  113    H    ALA  16           HN       ALA  16  44.508  13.008   4.341
  114    HA   ALA  16           HA       ALA  16  45.799  13.868   1.885
  115    HB1  ALA  16           HB1      ALA  16  45.120  16.075   2.784
  116    HB2  ALA  16           HB2      ALA  16  46.889  15.877   2.750
  117    HB3  ALA  16           HB3      ALA  16  46.004  15.719   4.286
  118    H    GLY  17           HN       GLY  17  45.987  13.290   5.388
  119    HA2  GLY  17           HA1      GLY  17  47.452  11.909   6.550
  120    HA3  GLY  17           HA2      GLY  17  48.154  11.395   5.003
  121    H    LYS  18           HN       LYS  18  49.538  13.108   3.888
  122    HA   LYS  18           HA       LYS  18  51.584  13.914   5.814
  123    HB2  LYS  18           HB2      LYS  18  52.764  14.768   3.793
  124    HB3  LYS  18           HB1      LYS  18  52.228  13.081   3.611
  125    HG2  LYS  18           HG2      LYS  18  50.210  13.872   2.381
  126    HG3  LYS  18           HG1      LYS  18  50.794  15.546   2.526
  127    HD2  LYS  18           HD2      LYS  18  52.922  14.809   1.357
  128    HD3  LYS  18           HD1      LYS  18  52.131  13.244   1.047
  129    HE2  LYS  18           HE2      LYS  18  51.066  15.966   0.169
  130    HE3  LYS  18           HE1      LYS  18  51.885  14.788  -0.887
  131    HZ1  LYS  18           HZ1      LYS  18  50.141  13.189  -0.386
  132    HZ2  LYS  18           HZ2      LYS  18  49.480  14.606  -1.051
  133    HZ3  LYS  18           HZ3      LYS  18  49.360  14.311   0.618
  134    H    ALA  19           HN       ALA  19  48.865  15.188   5.957
  135    HA   ALA  19           HA       ALA  19  49.804  17.883   6.450
  136    HB1  ALA  19           HB1      ALA  19  48.560  19.084   4.790
  137    HB2  ALA  19           HB2      ALA  19  47.798  17.590   4.192
  138    HB3  ALA  19           HB3      ALA  19  49.537  17.869   3.933
  139    H    ALA  20           HN       ALA  20  47.489  15.350   6.438
  140    HA   ALA  20           HA       ALA  20  45.474  15.065   7.556
  141    HB1  ALA  20           HB1      ALA  20  45.390  16.136   9.828
  142    HB2  ALA  20           HB2      ALA  20  46.884  17.011   9.410
  143    HB3  ALA  20           HB3      ALA  20  46.888  15.233   9.499
  144    H    LEU  21           HN       LEU  21  44.187  16.000   5.894
  145    HA   LEU  21           HA       LEU  21  42.660  17.527   5.049
  146    HB2  LEU  21           HB2      LEU  21  41.749  16.987   7.399
  147    HB3  LEU  21           HB1      LEU  21  42.425  18.551   7.899
  148    HG   LEU  21           HG       LEU  21  41.089  19.504   5.812
  149   HD11  LEU  21          HD11      LEU  21  39.664  16.857   6.356
  150   HD12  LEU  21          HD12      LEU  21  40.355  17.409   4.813
  151   HD13  LEU  21          HD13      LEU  21  38.927  18.221   5.488
  152   HD21  LEU  21          HD21      LEU  21  40.588  20.062   8.164
  153   HD22  LEU  21          HD22      LEU  21  39.680  18.542   8.344
  154   HD23  LEU  21          HD23      LEU  21  39.082  19.812   7.249
  155    H    THR  22           HN       THR  22  45.188  18.343   4.579
  156    HA   THR  22           HA       THR  22  46.491  20.212   4.147
  157    HB   THR  22           HB       THR  22  43.900  21.798   4.376
  158    HG1  THR  22           HG1      THR  22  43.309  20.402   2.897
  159   HG21  THR  22          HG21      THR  22  44.993  23.207   2.662
  160   HG22  THR  22          HG22      THR  22  46.417  22.140   2.688
  161   HG23  THR  22          HG23      THR  22  45.996  23.098   4.128
  162    H    HIS  23           HN       HIS  23  47.740  20.277   6.002
  163    HA   HIS  23           HA       HIS  23  46.893  21.301   8.518
  164    HB2  HIS  23           HB2      HIS  23  48.991  20.004   8.105
  165    HB3  HIS  23           HB1      HIS  23  49.683  21.438   7.308
  166    HD1  HIS  23           HD1      HIS  23  47.574  21.248  10.513
  167    HD2  HIS  23           HD2      HIS  23  51.441  22.332   9.271
  168    HE1  HIS  23           HE1      HIS  23  48.748  22.309  12.519
  169    H    TYR  24           HN       TYR  24  48.590  22.926   5.803
  170    HA   TYR  24           HA       TYR  24  48.759  25.488   7.043
  171    HB2  TYR  24           HB2      TYR  24  50.016  24.873   5.013
  172    HB3  TYR  24           HB1      TYR  24  48.495  24.788   4.090
  173    HD1  TYR  24           HD1      TYR  24  50.769  27.070   5.987
  174    HD2  TYR  24           HD2      TYR  24  47.396  26.788   3.306
  175    HE1  TYR  24           HE1      TYR  24  50.885  29.525   5.580
  176    HE2  TYR  24           HE2      TYR  24  47.514  29.243   2.902
  177    HH   TYR  24           HH       TYR  24  48.275  31.206   4.054
  178    H    LEU  25           HN       LEU  25  47.521  27.387   6.788
  179    HA   LEU  25           HA       LEU  25  44.659  26.912   6.883
  180    HB2  LEU  25           HB2      LEU  25  46.001  29.614   6.542
  181    HB3  LEU  25           HB1      LEU  25  44.464  29.234   7.355
  182    HG   LEU  25           HG       LEU  25  47.254  28.410   8.280
  183   HD11  LEU  25          HD11      LEU  25  46.725  29.904  10.201
  184   HD12  LEU  25          HD12      LEU  25  45.185  30.342   9.421
  185   HD13  LEU  25          HD13      LEU  25  46.729  30.790   8.658
  186   HD21  LEU  25          HD21      LEU  25  45.787  26.635   8.929
  187   HD22  LEU  25          HD22      LEU  25  44.457  27.759   9.301
  188   HD23  LEU  25          HD23      LEU  25  45.886  27.685  10.360
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1  58.880   2.111 -12.687
    2    H2   GLY   1           HT2      GLY   1  58.910   2.759 -11.116
    3    H3   GLY   1           HT3      GLY   1  60.364   2.451 -11.941
    4    HA2  GLY   1           HA1      GLY   1  59.880   4.109 -13.547
    5    HA3  GLY   1           HA2      GLY   1  58.310   4.392 -12.771
    6    H    TRP   2           HN       TRP   2  61.207   3.667 -10.919
    7    HA   TRP   2           HA       TRP   2  62.253   4.923  -9.267
    8    HB2  TRP   2           HB2      TRP   2  61.941   7.192 -11.270
    9    HB3  TRP   2           HB1      TRP   2  63.164   7.052  -9.985
   10    HD1  TRP   2           HD1      TRP   2  64.930   4.974 -10.240
   11    HE1  TRP   2           HE1      TRP   2  65.955   3.884 -12.366
   12    HE3  TRP   2           HE3      TRP   2  61.536   6.616 -13.705
   13    HZ2  TRP   2           HZ2      TRP   2  65.356   3.761 -15.181
   14    HZ3  TRP   2           HZ3      TRP   2  61.784   6.000 -16.104
   15    HH2  TRP   2           HH2      TRP   2  63.689   4.576 -16.845
   16    H    GLY   3           HN       GLY   3  60.378   4.725  -7.869
   17    HA2  GLY   3           HA1      GLY   3  59.646   7.121  -6.627
   18    HA3  GLY   3           HA2      GLY   3  58.367   6.804  -7.816
   19    H    SER   4           HN       SER   4  58.324   3.992  -7.724
   20    HA   SER   4           HA       SER   4  57.236   2.323  -6.537
   21    HB2  SER   4           HB2      SER   4  58.671   3.512  -4.133
   22    HB3  SER   4           HB1      SER   4  58.032   1.861  -4.287
   23    HG   SER   4           HG       SER   4  60.410   2.494  -4.824
   24    H    PHE   5           HN       PHE   5  55.214   3.462  -6.993
   25    HA   PHE   5           HA       PHE   5  54.012   5.345  -5.260
   26    HB2  PHE   5           HB2      PHE   5  52.549   3.104  -6.701
   27    HB3  PHE   5           HB1      PHE   5  51.917   4.707  -6.256
   28    HD1  PHE   5           HD1      PHE   5  52.577   6.719  -7.494
   29    HD2  PHE   5           HD2      PHE   5  54.138   2.839  -8.559
   30    HE1  PHE   5           HE1      PHE   5  53.403   7.644  -9.656
   31    HE2  PHE   5           HE2      PHE   5  54.963   3.763 -10.721
   32    HZ   PHE   5           HZ       PHE   5  54.613   6.170 -11.261
   33    H    PHE   6           HN       PHE   6  52.268   5.062  -3.702
   34    HA   PHE   6           HA       PHE   6  53.002   3.340  -1.566
   35    HB2  PHE   6           HB2      PHE   6  50.308   4.617  -2.181
   36    HB3  PHE   6           HB1      PHE   6  50.781   3.918  -0.613
   37    HD1  PHE   6           HD1      PHE   6  51.470   6.639  -3.063
   38    HD2  PHE   6           HD2      PHE   6  52.318   5.072   0.868
   39    HE1  PHE   6           HE1      PHE   6  52.579   8.783  -2.449
   40    HE2  PHE   6           HE2      PHE   6  53.428   7.217   1.483
   41    HZ   PHE   6           HZ       PHE   6  53.498   9.095  -0.153
   42    H    LYS   7           HN       LYS   7  52.613   1.273  -1.076
   43    HA   LYS   7           HA       LYS   7  51.639  -0.570  -2.973
   44    HB2  LYS   7           HB2      LYS   7  52.968  -1.064  -0.867
   45    HB3  LYS   7           HB1      LYS   7  51.446  -0.911   0.042
   46    HG2  LYS   7           HG2      LYS   7  50.440  -2.680  -1.433
   47    HG3  LYS   7           HG1      LYS   7  52.030  -2.885  -2.208
   48    HD2  LYS   7           HD2      LYS   7  53.012  -3.395   0.045
   49    HD3  LYS   7           HD1      LYS   7  51.374  -3.317   0.738
   50    HE2  LYS   7           HE2      LYS   7  51.867  -5.647   0.279
   51    HE3  LYS   7           HE1      LYS   7  50.674  -5.098  -0.922
   52    HZ1  LYS   7           HZ1      LYS   7  52.109  -5.465  -2.561
   53    HZ2  LYS   7           HZ2      LYS   7  53.109  -6.258  -1.439
   54    HZ3  LYS   7           HZ3      LYS   7  53.354  -4.614  -1.785
   55    H    LYS   8           HN       LYS   8  49.700  -0.365  -3.936
   56    HA   LYS   8           HA       LYS   8  47.395  -0.152  -4.158
   57    HB2  LYS   8           HB2      LYS   8  47.474  -1.633  -1.499
   58    HB3  LYS   8           HB1      LYS   8  46.055  -1.491  -2.565
   59    HG2  LYS   8           HG2      LYS   8  47.109  -2.754  -4.308
   60    HG3  LYS   8           HG1      LYS   8  48.707  -2.628  -3.536
   61    HD2  LYS   8           HD2      LYS   8  47.666  -4.878  -3.208
   62    HD3  LYS   8           HD1      LYS   8  47.959  -4.033  -1.670
   63    HE2  LYS   8           HE2      LYS   8  45.649  -5.176  -1.990
   64    HE3  LYS   8           HE1      LYS   8  45.660  -3.502  -1.388
   65    HZ1  LYS   8           HZ1      LYS   8  44.132  -4.176  -3.365
   66    HZ2  LYS   8           HZ2      LYS   8  45.544  -3.997  -4.291
   67    HZ3  LYS   8           HZ3      LYS   8  44.941  -2.686  -3.394
   68    H    ALA   9           HN       ALA   9  45.273   0.274  -2.564
   69    HA   ALA   9           HA       ALA   9  45.351   3.030  -2.024
   70    HB1  ALA   9           HB1      ALA   9  43.612   0.984  -0.605
   71    HB2  ALA   9           HB2      ALA   9  43.301   1.616  -2.241
   72    HB3  ALA   9           HB3      ALA   9  43.264   2.712  -0.840
   73    H    ALA  10           HN       ALA  10  45.252   4.227  -0.023
   74    HA   ALA  10           HA       ALA  10  46.130   2.978   2.458
   75    HB1  ALA  10           HB1      ALA  10  48.287   4.270   2.582
   76    HB2  ALA  10           HB2      ALA  10  48.105   4.628   0.848
   77    HB3  ALA  10           HB3      ALA  10  48.290   2.944   1.396
   78    H    HIS  11           HN       HIS  11  47.228   6.162   1.397
   79    HA   HIS  11           HA       HIS  11  46.679   8.267   2.207
   80    HB2  HIS  11           HB2      HIS  11  43.859   7.123   2.102
   81    HB3  HIS  11           HB1      HIS  11  44.291   8.849   2.150
   82    HD1  HIS  11           HD1      HIS  11  42.706   7.929  -0.269
   83    HD2  HIS  11           HD2      HIS  11  46.902   7.704  -0.125
   84    HE1  HIS  11           HE1      HIS  11  43.550   7.913  -2.679
   85    H    ALA  12           HN       ALA  12  47.698   8.140   4.218
   86    HA   ALA  12           HA       ALA  12  46.267   7.029   6.529
   87    HB1  ALA  12           HB1      ALA  12  48.679   6.902   6.478
   88    HB2  ALA  12           HB2      ALA  12  48.201   8.002   7.793
   89    HB3  ALA  12           HB3      ALA  12  48.813   8.662   6.257
   90    H    GLY  13           HN       GLY  13  44.374   8.556   5.763
   91    HA2  GLY  13           HA1      GLY  13  43.963  10.449   7.815
   92    HA3  GLY  13           HA2      GLY  13  44.559  11.347   6.406
   93    H    LYS  14           HN       LYS  14  43.404  11.020   4.335
   94    HA   LYS  14           HA       LYS  14  40.683   9.930   4.470
   95    HB2  LYS  14           HB2      LYS  14  40.555  12.221   5.611
   96    HB3  LYS  14           HB1      LYS  14  40.955  12.927   4.027
   97    HG2  LYS  14           HG2      LYS  14  38.991  11.583   3.074
   98    HG3  LYS  14           HG1      LYS  14  38.529  11.237   4.759
   99    HD2  LYS  14           HD2      LYS  14  38.881  14.027   3.571
  100    HD3  LYS  14           HD1      LYS  14  37.319  13.220   3.843
  101    HE2  LYS  14           HE2      LYS  14  38.114  12.977   6.320
  102    HE3  LYS  14           HE1      LYS  14  39.322  14.214   5.896
  103    HZ1  LYS  14           HZ1      LYS  14  37.744  15.799   5.641
  104    HZ2  LYS  14           HZ2      LYS  14  36.919  14.831   6.767
  105    HZ3  LYS  14           HZ3      LYS  14  36.550  14.717   5.113
  106    H    HIS  15           HN       HIS  15  42.136  12.662   2.650
  107    HA   HIS  15           HA       HIS  15  41.462  11.289   0.109
  108    HB2  HIS  15           HB2      HIS  15  42.754  13.985   0.696
  109    HB3  HIS  15           HB1      HIS  15  42.292  13.395  -0.919
  110    HD1  HIS  15           HD1      HIS  15  39.642  11.931   0.508
  111    HD2  HIS  15           HD2      HIS  15  40.686  16.004   0.477
  112    HE1  HIS  15           HE1      HIS  15  37.497  13.269   0.864
  113    H    ALA  16           HN       ALA  16  44.345  12.475   1.865
  114    HA   ALA  16           HA       ALA  16  45.987  10.323   0.871
  115    HB1  ALA  16           HB1      ALA  16  45.866  11.610  -1.225
  116    HB2  ALA  16           HB2      ALA  16  47.511  11.639  -0.546
  117    HB3  ALA  16           HB3      ALA  16  46.450  13.058  -0.371
  118    H    GLY  17           HN       GLY  17  45.328  13.130   2.680
  119    HA2  GLY  17           HA1      GLY  17  47.274  12.516   4.670
  120    HA3  GLY  17           HA2      GLY  17  47.907  13.825   3.650
  121    H    LYS  18           HN       LYS  18  44.630  13.010   4.863
  122    HA   LYS  18           HA       LYS  18  43.087  14.328   5.984
  123    HB2  LYS  18           HB2      LYS  18  45.524  15.719   7.159
  124    HB3  LYS  18           HB1      LYS  18  43.886  15.644   7.853
  125    HG2  LYS  18           HG2      LYS  18  44.088  13.159   7.997
  126    HG3  LYS  18           HG1      LYS  18  45.755  13.279   7.383
  127    HD2  LYS  18           HD2      LYS  18  46.318  14.773   9.317
  128    HD3  LYS  18           HD1      LYS  18  44.676  14.513   9.955
  129    HE2  LYS  18           HE2      LYS  18  45.071  12.144  10.226
  130    HE3  LYS  18           HE1      LYS  18  46.613  12.243   9.343
  131    HZ1  LYS  18           HZ1      LYS  18  47.658  13.231  11.098
  132    HZ2  LYS  18           HZ2      LYS  18  46.538  12.277  11.949
  133    HZ3  LYS  18           HZ3      LYS  18  46.244  13.934  11.717
  134    H    ALA  19           HN       ALA  19  43.356  15.108   3.432
  135    HA   ALA  19           HA       ALA  19  43.108  16.913   1.993
  136    HB1  ALA  19           HB1      ALA  19  41.167  17.261   3.509
  137    HB2  ALA  19           HB2      ALA  19  41.800  18.784   2.838
  138    HB3  ALA  19           HB3      ALA  19  42.177  18.324   4.517
  139    H    ALA  20           HN       ALA  20  45.694  16.613   2.587
  140    HA   ALA  20           HA       ALA  20  46.716  19.303   2.278
  141    HB1  ALA  20           HB1      ALA  20  47.179  17.892   4.924
  142    HB2  ALA  20           HB2      ALA  20  46.440  19.490   4.657
  143    HB3  ALA  20           HB3      ALA  20  48.173  19.246   4.337
  144    H    LEU  21           HN       LEU  21  46.829  15.989   2.001
  145    HA   LEU  21           HA       LEU  21  48.423  14.513   1.180
  146    HB2  LEU  21           HB2      LEU  21  49.300  17.157  -0.028
  147    HB3  LEU  21           HB1      LEU  21  50.169  15.647  -0.383
  148    HG   LEU  21           HG       LEU  21  48.146  14.625  -1.280
  149   HD11  LEU  21          HD11      LEU  21  46.821  17.162  -0.244
  150   HD12  LEU  21          HD12      LEU  21  46.395  15.469   0.102
  151   HD13  LEU  21          HD13      LEU  21  46.067  16.155  -1.504
  152   HD21  LEU  21          HD21      LEU  21  48.518  17.477  -2.305
  153   HD22  LEU  21          HD22      LEU  21  47.737  16.152  -3.201
  154   HD23  LEU  21          HD23      LEU  21  49.469  16.056  -2.801
  155    H    THR  22           HN       THR  22  50.932  16.928   1.103
  156    HA   THR  22           HA       THR  22  52.517  15.359   3.023
  157    HB   THR  22           HB       THR  22  54.319  16.941   2.501
  158    HG1  THR  22           HG1      THR  22  53.917  18.744   1.293
  159   HG21  THR  22          HG21      THR  22  54.543  16.466   0.145
  160   HG22  THR  22          HG22      THR  22  52.780  16.326  -0.050
  161   HG23  THR  22          HG23      THR  22  53.673  15.097   0.877
  162    H    HIS  23           HN       HIS  23  50.189  16.397   4.226
  163    HA   HIS  23           HA       HIS  23  49.501  17.670   6.045
  164    HB2  HIS  23           HB2      HIS  23  52.451  17.622   6.783
  165    HB3  HIS  23           HB1      HIS  23  51.065  17.810   7.885
  166    HD1  HIS  23           HD1      HIS  23  52.064  15.274   5.152
  167    HD2  HIS  23           HD2      HIS  23  50.405  15.388   9.014
  168    HE1  HIS  23           HE1      HIS  23  51.672  12.857   5.884
  169    H    TYR  24           HN       TYR  24  50.666  19.655   7.567
  170    HA   TYR  24           HA       TYR  24  50.321  21.940   5.836
  171    HB2  TYR  24           HB2      TYR  24  51.367  21.661   8.680
  172    HB3  TYR  24           HB1      TYR  24  51.086  23.223   7.876
  173    HD1  TYR  24           HD1      TYR  24  49.496  20.199   9.299
  174    HD2  TYR  24           HD2      TYR  24  48.812  23.974   7.321
  175    HE1  TYR  24           HE1      TYR  24  47.077  20.067   9.881
  176    HE2  TYR  24           HE2      TYR  24  46.394  23.842   7.902
  177    HH   TYR  24           HH       TYR  24  44.785  21.278   8.906
  178    H    LEU  25           HN       LEU  25  53.082  21.829   8.026
  179    HA   LEU  25           HA       LEU  25  54.801  23.181   6.208
  180    HB2  LEU  25           HB2      LEU  25  54.943  22.725   8.822
  181    HB3  LEU  25           HB1      LEU  25  55.913  21.321   8.330
  182    HG   LEU  25           HG       LEU  25  56.457  24.252   7.667
  183   HD11  LEU  25          HD11      LEU  25  58.134  22.227   9.206
  184   HD12  LEU  25          HD12      LEU  25  57.015  23.370   9.987
  185   HD13  LEU  25          HD13      LEU  25  58.410  23.979   9.065
  186   HD21  LEU  25          HD21      LEU  25  57.134  23.028   5.725
  187   HD22  LEU  25          HD22      LEU  25  57.750  21.669   6.698
  188   HD23  LEU  25          HD23      LEU  25  58.617  23.223   6.684
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1  58.816  -3.629  -7.929
    2    H2   GLY   1           HT2      GLY   1  59.572  -2.944  -6.570
    3    H3   GLY   1           HT3      GLY   1  59.205  -4.603  -6.598
    4    HA2  GLY   1           HA1      GLY   1  61.421  -3.169  -7.694
    5    HA3  GLY   1           HA2      GLY   1  61.289  -4.863  -7.185
    6    H    TRP   2           HN       TRP   2  61.703  -6.215  -8.783
    7    HA   TRP   2           HA       TRP   2  61.538  -5.402 -11.560
    8    HB2  TRP   2           HB2      TRP   2  61.722  -8.231 -10.463
    9    HB3  TRP   2           HB1      TRP   2  62.243  -7.650 -12.063
   10    HD1  TRP   2           HD1      TRP   2  63.174  -7.472  -8.345
   11    HE1  TRP   2           HE1      TRP   2  65.649  -6.709  -8.106
   12    HE3  TRP   2           HE3      TRP   2  64.159  -6.379 -13.249
   13    HZ2  TRP   2           HZ2      TRP   2  67.747  -5.758  -9.836
   14    HZ3  TRP   2           HZ3      TRP   2  66.404  -5.547 -13.932
   15    HH2  TRP   2           HH2      TRP   2  68.197  -5.236 -12.231
   16    H    GLY   3           HN       GLY   3  59.980  -5.676 -13.055
   17    HA2  GLY   3           HA1      GLY   3  57.987  -6.415 -14.002
   18    HA3  GLY   3           HA2      GLY   3  57.813  -7.590 -12.682
   19    H    SER   4           HN       SER   4  57.304  -6.549 -10.478
   20    HA   SER   4           HA       SER   4  54.764  -5.350 -10.618
   21    HB2  SER   4           HB2      SER   4  55.055  -4.826  -8.239
   22    HB3  SER   4           HB1      SER   4  55.713  -6.438  -8.599
   23    HG   SER   4           HG       SER   4  56.991  -4.086  -7.858
   24    H    PHE   5           HN       PHE   5  54.129  -3.185  -9.711
   25    HA   PHE   5           HA       PHE   5  56.014  -0.988  -9.927
   26    HB2  PHE   5           HB2      PHE   5  55.728  -1.514 -12.342
   27    HB3  PHE   5           HB1      PHE   5  53.973  -1.274 -12.167
   28    HD1  PHE   5           HD1      PHE   5  53.018   0.943 -11.990
   29    HD2  PHE   5           HD2      PHE   5  57.301   0.402 -11.982
   30    HE1  PHE   5           HE1      PHE   5  53.329   3.398 -12.281
   31    HE2  PHE   5           HE2      PHE   5  57.611   2.857 -12.272
   32    HZ   PHE   5           HZ       PHE   5  55.625   4.360 -12.378
   33    H    PHE   6           HN       PHE   6  52.908  -2.384  -9.403
   34    HA   PHE   6           HA       PHE   6  51.348  -0.022  -9.011
   35    HB2  PHE   6           HB2      PHE   6  49.969  -1.522  -7.498
   36    HB3  PHE   6           HB1      PHE   6  50.247  -2.156  -9.138
   37    HD1  PHE   6           HD1      PHE   6  51.085  -2.514  -5.552
   38    HD2  PHE   6           HD2      PHE   6  51.792  -4.027  -9.531
   39    HE1  PHE   6           HE1      PHE   6  52.148  -4.551  -4.588
   40    HE2  PHE   6           HE2      PHE   6  52.857  -6.063  -8.568
   41    HZ   PHE   6           HZ       PHE   6  53.098  -6.291  -6.098
   42    H    LYS   7           HN       LYS   7  50.521   0.775  -6.903
   43    HA   LYS   7           HA       LYS   7  50.949   1.835  -4.891
   44    HB2  LYS   7           HB2      LYS   7  51.031  -0.572  -4.130
   45    HB3  LYS   7           HB1      LYS   7  52.800  -0.509  -4.313
   46    HG2  LYS   7           HG2      LYS   7  52.911   1.374  -2.715
   47    HG3  LYS   7           HG1      LYS   7  51.139   1.340  -2.543
   48    HD2  LYS   7           HD2      LYS   7  51.217  -0.906  -1.603
   49    HD3  LYS   7           HD1      LYS   7  52.968  -1.018  -1.916
   50    HE2  LYS   7           HE2      LYS   7  51.684   1.075  -0.110
   51    HE3  LYS   7           HE1      LYS   7  52.405  -0.443   0.475
   52    HZ1  LYS   7           HZ1      LYS   7  53.691   1.975  -0.245
   53    HZ2  LYS   7           HZ2      LYS   7  54.254   0.718  -1.242
   54    HZ3  LYS   7           HZ3      LYS   7  54.358   0.577   0.449
   55    H    LYS   8           HN       LYS   8  52.024   3.684  -4.948
   56    HA   LYS   8           HA       LYS   8  54.923   3.701  -4.636
   57    HB2  LYS   8           HB2      LYS   8  55.438   4.935  -6.708
   58    HB3  LYS   8           HB1      LYS   8  54.792   3.315  -7.073
   59    HG2  LYS   8           HG2      LYS   8  52.489   4.410  -7.272
   60    HG3  LYS   8           HG1      LYS   8  53.326   5.979  -7.214
   61    HD2  LYS   8           HD2      LYS   8  53.870   3.764  -9.243
   62    HD3  LYS   8           HD1      LYS   8  52.916   5.231  -9.556
   63    HE2  LYS   8           HE2      LYS   8  55.043   5.835 -10.373
   64    HE3  LYS   8           HE1      LYS   8  55.084   6.499  -8.724
   65    HZ1  LYS   8           HZ1      LYS   8  55.953   4.015  -8.295
   66    HZ2  LYS   8           HZ2      LYS   8  56.985   5.320  -8.633
   67    HZ3  LYS   8           HZ3      LYS   8  56.532   4.248  -9.871
   68    H    ALA   9           HN       ALA   9  52.451   4.669  -3.349
   69    HA   ALA   9           HA       ALA   9  53.386   7.336  -2.719
   70    HB1  ALA   9           HB1      ALA   9  51.468   8.608  -3.537
   71    HB2  ALA   9           HB2      ALA   9  50.776   7.137  -4.261
   72    HB3  ALA   9           HB3      ALA   9  52.297   7.812  -4.895
   73    H    ALA  10           HN       ALA  10  51.020   8.452  -1.750
   74    HA   ALA  10           HA       ALA  10  49.467   6.533  -0.244
   75    HB1  ALA  10           HB1      ALA  10  51.476   6.189   1.037
   76    HB2  ALA  10           HB2      ALA  10  50.367   7.179   2.016
   77    HB3  ALA  10           HB3      ALA  10  51.744   7.942   1.184
   78    H    HIS  11           HN       HIS  11  50.562   9.340   1.485
   79    HA   HIS  11           HA       HIS  11  49.447  11.281   2.078
   80    HB2  HIS  11           HB2      HIS  11  48.421  11.150  -0.786
   81    HB3  HIS  11           HB1      HIS  11  48.431  12.587   0.263
   82    HD1  HIS  11           HD1      HIS  11  50.017  12.470  -2.454
   83    HD2  HIS  11           HD2      HIS  11  51.664  11.604   1.319
   84    HE1  HIS  11           HE1      HIS  11  52.539  12.838  -2.621
   85    H    ALA  12           HN       ALA  12  46.966  10.214  -0.257
   86    HA   ALA  12           HA       ALA  12  44.701   9.834   0.067
   87    HB1  ALA  12           HB1      ALA  12  45.764   8.528   2.596
   88    HB2  ALA  12           HB2      ALA  12  45.540   7.747   1.012
   89    HB3  ALA  12           HB3      ALA  12  44.127   8.308   1.937
   90    H    GLY  13           HN       GLY  13  45.511  12.402   0.768
   91    HA2  GLY  13           HA1      GLY  13  43.301  13.285   2.313
   92    HA3  GLY  13           HA2      GLY  13  44.709  13.200   3.390
   93    H    LYS  14           HN       LYS  14  46.716  14.309   2.614
   94    HA   LYS  14           HA       LYS  14  46.419  16.396   0.606
   95    HB2  LYS  14           HB2      LYS  14  45.103  17.511   2.298
   96    HB3  LYS  14           HB1      LYS  14  46.294  17.128   3.558
   97    HG2  LYS  14           HG2      LYS  14  46.390  19.514   2.719
   98    HG3  LYS  14           HG1      LYS  14  47.927  18.635   2.575
   99    HD2  LYS  14           HD2      LYS  14  47.672  18.345   0.220
  100    HD3  LYS  14           HD1      LYS  14  45.940  18.754   0.272
  101    HE2  LYS  14           HE2      LYS  14  48.221  20.681   0.904
  102    HE3  LYS  14           HE1      LYS  14  47.327  20.623  -0.633
  103    HZ1  LYS  14           HZ1      LYS  14  46.373  21.434   2.044
  104    HZ2  LYS  14           HZ2      LYS  14  45.272  20.866   0.880
  105    HZ3  LYS  14           HZ3      LYS  14  46.216  22.242   0.560
  106    H    HIS  15           HN       HIS  15  48.118  15.707   3.707
  107    HA   HIS  15           HA       HIS  15  50.644  15.298   2.273
  108    HB2  HIS  15           HB2      HIS  15  50.525  17.781   2.356
  109    HB3  HIS  15           HB1      HIS  15  50.373  17.696   4.127
  110    HD1  HIS  15           HD1      HIS  15  52.587  18.445   5.030
  111    HD2  HIS  15           HD2      HIS  15  52.997  15.731   1.841
  112    HE1  HIS  15           HE1      HIS  15  55.076  17.921   4.790
  113    H    ALA  16           HN       ALA  16  48.545  14.528   4.600
  114    HA   ALA  16           HA       ALA  16  50.491  12.939   6.051
  115    HB1  ALA  16           HB1      ALA  16  49.133  15.157   7.618
  116    HB2  ALA  16           HB2      ALA  16  50.834  15.200   7.093
  117    HB3  ALA  16           HB3      ALA  16  50.284  13.948   8.234
  118    H    GLY  17           HN       GLY  17  47.262  14.380   5.840
  119    HA2  GLY  17           HA1      GLY  17  45.196  13.314   5.943
  120    HA3  GLY  17           HA2      GLY  17  46.029  11.759   6.134
  121    H    LYS  18           HN       LYS  18  47.235  11.598   8.347
  122    HA   LYS  18           HA       LYS  18  45.265  11.500  10.371
  123    HB2  LYS  18           HB2      LYS  18  47.490  10.281  10.307
  124    HB3  LYS  18           HB1      LYS  18  48.257  11.799  10.830
  125    HG2  LYS  18           HG2      LYS  18  46.936  11.825  12.879
  126    HG3  LYS  18           HG1      LYS  18  45.997  10.412  12.339
  127    HD2  LYS  18           HD2      LYS  18  48.000   9.009  12.386
  128    HD3  LYS  18           HD1      LYS  18  49.012  10.415  12.795
  129    HE2  LYS  18           HE2      LYS  18  48.412   9.001  14.791
  130    HE3  LYS  18           HE1      LYS  18  47.864  10.688  14.927
  131    HZ1  LYS  18           HZ1      LYS  18  46.175   8.969  15.534
  132    HZ2  LYS  18           HZ2      LYS  18  46.147   8.487  13.906
  133    HZ3  LYS  18           HZ3      LYS  18  45.671  10.059  14.337
  134    H    ALA  19           HN       ALA  19  47.013  14.189   9.125
  135    HA   ALA  19           HA       ALA  19  45.605  16.032  10.838
  136    HB1  ALA  19           HB1      ALA  19  48.525  15.507  11.471
  137    HB2  ALA  19           HB2      ALA  19  47.131  15.365  12.570
  138    HB3  ALA  19           HB3      ALA  19  47.647  16.966  11.986
  139    H    ALA  20           HN       ALA  20  45.145  16.774   8.702
  140    HA   ALA  20           HA       ALA  20  46.848  18.939   7.884
  141    HB1  ALA  20           HB1      ALA  20  46.989  16.392   6.242
  142    HB2  ALA  20           HB2      ALA  20  48.336  17.305   6.963
  143    HB3  ALA  20           HB3      ALA  20  47.422  17.993   5.599
  144    H    LEU  21           HN       LEU  21  45.335  16.868   5.475
  145    HA   LEU  21           HA       LEU  21  43.521  17.289   4.086
  146    HB2  LEU  21           HB2      LEU  21  42.452  18.009   6.835
  147    HB3  LEU  21           HB1      LEU  21  41.417  18.094   5.391
  148    HG   LEU  21           HG       LEU  21  41.774  15.734   4.919
  149   HD11  LEU  21          HD11      LEU  21  43.111  14.375   6.675
  150   HD12  LEU  21          HD12      LEU  21  43.797  15.938   7.186
  151   HD13  LEU  21          HD13      LEU  21  44.050  15.351   5.524
  152   HD21  LEU  21          HD21      LEU  21  40.068  16.423   6.654
  153   HD22  LEU  21          HD22      LEU  21  41.276  16.064   7.911
  154   HD23  LEU  21          HD23      LEU  21  40.672  14.762   6.859
  155    H    THR  22           HN       THR  22  42.471  19.902   6.192
  156    HA   THR  22           HA       THR  22  43.790  22.026   4.731
  157    HB   THR  22           HB       THR  22  42.228  21.347   2.932
  158    HG1  THR  22           HG1      THR  22  41.335  23.713   4.227
  159   HG21  THR  22          HG21      THR  22  40.529  20.371   4.564
  160   HG22  THR  22          HG22      THR  22  39.842  21.354   3.249
  161   HG23  THR  22          HG23      THR  22  39.998  22.040   4.883
  162    H    HIS  23           HN       HIS  23  42.804  20.954   7.448
  163    HA   HIS  23           HA       HIS  23  40.881  22.843   8.451
  164    HB2  HIS  23           HB2      HIS  23  41.432  20.711   9.587
  165    HB3  HIS  23           HB1      HIS  23  43.064  21.331   9.942
  166    HD1  HIS  23           HD1      HIS  23  43.322  22.506  12.127
  167    HD2  HIS  23           HD2      HIS  23  39.337  22.530  10.780
  168    HE1  HIS  23           HE1      HIS  23  41.915  23.637  13.935
  169    H    TYR  24           HN       TYR  24  44.386  22.654   9.234
  170    HA   TYR  24           HA       TYR  24  44.586  25.224  10.368
  171    HB2  TYR  24           HB2      TYR  24  46.733  23.833   8.722
  172    HB3  TYR  24           HB1      TYR  24  46.974  25.039  10.009
  173    HD1  TYR  24           HD1      TYR  24  46.207  21.520   9.248
  174    HD2  TYR  24           HD2      TYR  24  46.470  24.477  12.381
  175    HE1  TYR  24           HE1      TYR  24  46.197  19.708  10.960
  176    HE2  TYR  24           HE2      TYR  24  46.461  22.665  14.092
  177    HH   TYR  24           HH       TYR  24  45.600  20.203  14.179
  178    H    LEU  25           HN       LEU  25  44.614  27.251   9.628
  179    HA   LEU  25           HA       LEU  25  43.981  27.753   6.845
  180    HB2  LEU  25           HB2      LEU  25  44.994  29.835   8.809
  181    HB3  LEU  25           HB1      LEU  25  43.847  30.037   7.462
  182    HG   LEU  25           HG       LEU  25  43.367  28.502  10.055
  183   HD11  LEU  25          HD11      LEU  25  41.664  30.228  10.444
  184   HD12  LEU  25          HD12      LEU  25  42.038  30.982   8.876
  185   HD13  LEU  25          HD13      LEU  25  43.247  30.996  10.181
  186   HD21  LEU  25          HD21      LEU  25  41.727  28.768   7.500
  187   HD22  LEU  25          HD22      LEU  25  40.990  28.338   9.062
  188   HD23  LEU  25          HD23      LEU  25  42.219  27.278   8.339
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1  53.262   5.976 -13.265
    2    H2   GLY   1           HT2      GLY   1  52.447   5.504 -11.849
    3    H3   GLY   1           HT3      GLY   1  52.384   4.526 -13.237
    4    HA2  GLY   1           HA1      GLY   1  53.936   3.932 -11.303
    5    HA3  GLY   1           HA2      GLY   1  54.449   3.728 -12.989
    6    H    TRP   2           HN       TRP   2  55.120   5.161  -9.978
    7    HA   TRP   2           HA       TRP   2  57.627   6.245 -10.966
    8    HB2  TRP   2           HB2      TRP   2  57.198   8.611 -10.368
    9    HB3  TRP   2           HB1      TRP   2  56.158   8.072 -11.709
   10    HD1  TRP   2           HD1      TRP   2  53.585   7.899 -11.282
   11    HE1  TRP   2           HE1      TRP   2  52.010   8.680  -9.366
   12    HE3  TRP   2           HE3      TRP   2  57.108   8.955  -7.722
   13    HZ2  TRP   2           HZ2      TRP   2  52.277   9.630  -6.660
   14    HZ3  TRP   2           HZ3      TRP   2  56.425   9.797  -5.480
   15    HH2  TRP   2           HH2      TRP   2  54.016  10.135  -4.946
   16    H    GLY   3           HN       GLY   3  55.144   6.130  -8.425
   17    HA2  GLY   3           HA1      GLY   3  57.039   6.735  -6.287
   18    HA3  GLY   3           HA2      GLY   3  55.362   6.186  -6.106
   19    H    SER   4           HN       SER   4  58.276   4.771  -7.659
   20    HA   SER   4           HA       SER   4  59.157   2.632  -7.462
   21    HB2  SER   4           HB2      SER   4  59.727   3.704  -5.220
   22    HB3  SER   4           HB1      SER   4  58.335   2.832  -4.544
   23    HG   SER   4           HG       SER   4  60.803   1.901  -5.424
   24    H    PHE   5           HN       PHE   5  58.396   0.617  -5.472
   25    HA   PHE   5           HA       PHE   5  56.236  -0.608  -7.003
   26    HB2  PHE   5           HB2      PHE   5  58.098  -1.914  -6.016
   27    HB3  PHE   5           HB1      PHE   5  57.536  -1.471  -4.386
   28    HD1  PHE   5           HD1      PHE   5  56.310  -3.006  -7.603
   29    HD2  PHE   5           HD2      PHE   5  55.944  -2.857  -3.303
   30    HE1  PHE   5           HE1      PHE   5  54.686  -4.894  -7.674
   31    HE2  PHE   5           HE2      PHE   5  54.319  -4.744  -3.378
   32    HZ   PHE   5           HZ       PHE   5  53.750  -5.811  -5.555
   33    H    PHE   6           HN       PHE   6  56.548   0.134  -3.492
   34    HA   PHE   6           HA       PHE   6  53.862  -0.281  -2.801
   35    HB2  PHE   6           HB2      PHE   6  55.617   1.930  -1.672
   36    HB3  PHE   6           HB1      PHE   6  54.286   1.075  -0.854
   37    HD1  PHE   6           HD1      PHE   6  57.787   0.852  -2.024
   38    HD2  PHE   6           HD2      PHE   6  54.549  -1.254  -0.100
   39    HE1  PHE   6           HE1      PHE   6  59.384  -0.900  -1.256
   40    HE2  PHE   6           HE2      PHE   6  56.144  -3.007   0.668
   41    HZ   PHE   6           HZ       PHE   6  58.559  -2.839   0.076
   42    H    LYS   7           HN       LYS   7  51.979   0.717  -3.134
   43    HA   LYS   7           HA       LYS   7  51.888   2.981  -4.967
   44    HB2  LYS   7           HB2      LYS   7  49.693   1.662  -3.315
   45    HB3  LYS   7           HB1      LYS   7  49.442   2.814  -4.650
   46    HG2  LYS   7           HG2      LYS   7  50.693   1.238  -6.166
   47    HG3  LYS   7           HG1      LYS   7  50.744   0.064  -4.830
   48    HD2  LYS   7           HD2      LYS   7  48.269   0.068  -4.724
   49    HD3  LYS   7           HD1      LYS   7  48.214   1.241  -6.061
   50    HE2  LYS   7           HE2      LYS   7  47.859  -1.069  -6.888
   51    HE3  LYS   7           HE1      LYS   7  49.364  -0.377  -7.538
   52    HZ1  LYS   7           HZ1      LYS   7  50.552  -1.940  -6.529
   53    HZ2  LYS   7           HZ2      LYS   7  49.100  -2.741  -6.157
   54    HZ3  LYS   7           HZ3      LYS   7  49.797  -1.673  -5.033
   55    H    LYS   8           HN       LYS   8  49.477   3.336  -2.606
   56    HA   LYS   8           HA       LYS   8  50.251   6.002  -1.953
   57    HB2  LYS   8           HB2      LYS   8  48.421   4.064  -0.482
   58    HB3  LYS   8           HB1      LYS   8  48.534   5.808  -0.148
   59    HG2  LYS   8           HG2      LYS   8  47.794   6.352  -2.401
   60    HG3  LYS   8           HG1      LYS   8  47.851   4.636  -2.876
   61    HD2  LYS   8           HD2      LYS   8  46.054   4.082  -1.337
   62    HD3  LYS   8           HD1      LYS   8  46.078   5.724  -0.649
   63    HE2  LYS   8           HE2      LYS   8  44.223   5.453  -2.280
   64    HE3  LYS   8           HE1      LYS   8  45.404   6.664  -2.832
   65    HZ1  LYS   8           HZ1      LYS   8  44.649   4.945  -4.513
   66    HZ2  LYS   8           HZ2      LYS   8  45.567   3.813  -3.640
   67    HZ3  LYS   8           HZ3      LYS   8  46.324   5.157  -4.352
   68    H    ALA   9           HN       ALA   9  51.765   6.781  -0.645
   69    HA   ALA   9           HA       ALA   9  53.585   5.188   0.792
   70    HB1  ALA   9           HB1      ALA   9  52.726   8.032   1.429
   71    HB2  ALA   9           HB2      ALA   9  53.933   7.567   0.206
   72    HB3  ALA   9           HB3      ALA   9  54.245   7.251   1.929
   73    H    ALA  10           HN       ALA  10  51.017   7.233   2.265
   74    HA   ALA  10           HA       ALA  10  50.076   5.135   3.996
   75    HB1  ALA  10           HB1      ALA  10  52.175   5.331   5.150
   76    HB2  ALA  10           HB2      ALA  10  50.938   6.131   6.148
   77    HB3  ALA  10           HB3      ALA  10  52.062   7.106   5.170
   78    H    HIS  11           HN       HIS  11  48.351   6.336   2.715
   79    HA   HIS  11           HA       HIS  11  47.588   8.992   3.266
   80    HB2  HIS  11           HB2      HIS  11  45.297   8.267   2.652
   81    HB3  HIS  11           HB1      HIS  11  46.520   7.613   1.536
   82    HD1  HIS  11           HD1      HIS  11  43.823   6.624   3.867
   83    HD2  HIS  11           HD2      HIS  11  47.205   4.795   2.160
   84    HE1  HIS  11           HE1      HIS  11  43.546   4.099   4.147
   85    H    ALA  12           HN       ALA  12  47.763   9.702   5.345
   86    HA   ALA  12           HA       ALA  12  46.659   8.161   7.576
   87    HB1  ALA  12           HB1      ALA  12  48.636   9.720   7.714
   88    HB2  ALA  12           HB2      ALA  12  47.375  10.004   8.939
   89    HB3  ALA  12           HB3      ALA  12  47.500  11.074   7.522
   90    H    GLY  13           HN       GLY  13  44.849   8.950   5.315
   91    HA2  GLY  13           HA1      GLY  13  42.610   9.749   6.976
   92    HA3  GLY  13           HA2      GLY  13  43.139  11.066   5.912
   93    H    LYS  14           HN       LYS  14  42.686  11.024   3.758
   94    HA   LYS  14           HA       LYS  14  41.546   8.539   2.571
   95    HB2  LYS  14           HB2      LYS  14  40.004  11.166   2.680
   96    HB3  LYS  14           HB1      LYS  14  39.512   9.694   1.810
   97    HG2  LYS  14           HG2      LYS  14  39.637   8.473   4.058
   98    HG3  LYS  14           HG1      LYS  14  39.794  10.076   4.816
   99    HD2  LYS  14           HD2      LYS  14  37.659  10.765   3.673
  100    HD3  LYS  14           HD1      LYS  14  37.481   9.092   3.093
  101    HE2  LYS  14           HE2      LYS  14  37.567   8.306   5.476
  102    HE3  LYS  14           HE1      LYS  14  37.594  10.007   5.999
  103    HZ1  LYS  14           HZ1      LYS  14  35.511   9.732   4.170
  104    HZ2  LYS  14           HZ2      LYS  14  35.398  10.014   5.841
  105    HZ3  LYS  14           HZ3      LYS  14  35.381   8.425   5.242
  106    H    HIS  15           HN       HIS  15  43.657   8.823   1.494
  107    HA   HIS  15           HA       HIS  15  45.022   9.666  -0.204
  108    HB2  HIS  15           HB2      HIS  15  43.820   9.805  -2.402
  109    HB3  HIS  15           HB1      HIS  15  43.468   8.322  -1.484
  110    HD1  HIS  15           HD1      HIS  15  41.936  11.554  -2.687
  111    HD2  HIS  15           HD2      HIS  15  40.819   8.245  -0.346
  112    HE1  HIS  15           HE1      HIS  15  39.395  11.628  -2.427
  113    H    ALA  16           HN       ALA  16  45.677  11.633   0.765
  114    HA   ALA  16           HA       ALA  16  45.869  13.944   0.906
  115    HB1  ALA  16           HB1      ALA  16  46.547  13.691  -1.403
  116    HB2  ALA  16           HB2      ALA  16  45.537  15.150  -1.261
  117    HB3  ALA  16           HB3      ALA  16  44.852  13.654  -1.941
  118    H    GLY  17           HN       GLY  17  43.901  13.527   2.433
  119    HA2  GLY  17           HA1      GLY  17  41.315  14.440   1.528
  120    HA3  GLY  17           HA2      GLY  17  41.839  14.244   3.213
  121    H    LYS  18           HN       LYS  18  41.978  16.398   0.379
  122    HA   LYS  18           HA       LYS  18  42.085  18.707   0.256
  123    HB2  LYS  18           HB2      LYS  18  41.304  18.803   3.188
  124    HB3  LYS  18           HB1      LYS  18  40.965  19.996   1.911
  125    HG2  LYS  18           HG2      LYS  18  39.625  18.158   0.727
  126    HG3  LYS  18           HG1      LYS  18  39.769  17.214   2.227
  127    HD2  LYS  18           HD2      LYS  18  38.500  19.972   1.926
  128    HD3  LYS  18           HD1      LYS  18  37.651  18.442   2.245
  129    HE2  LYS  18           HE2      LYS  18  39.483  20.012   4.085
  130    HE3  LYS  18           HE1      LYS  18  37.832  19.424   4.392
  131    HZ1  LYS  18           HZ1      LYS  18  38.960  17.812   5.469
  132    HZ2  LYS  18           HZ2      LYS  18  40.378  18.007   4.553
  133    HZ3  LYS  18           HZ3      LYS  18  39.069  17.127   3.920
  134    H    ALA  19           HN       ALA  19  44.485  17.813   0.303
  135    HA   ALA  19           HA       ALA  19  46.675  18.316   0.845
  136    HB1  ALA  19           HB1      ALA  19  45.698  20.658   0.582
  137    HB2  ALA  19           HB2      ALA  19  47.184  20.525   1.551
  138    HB3  ALA  19           HB3      ALA  19  45.609  20.716   2.358
  139    H    ALA  20           HN       ALA  20  45.119  16.589   2.604
  140    HA   ALA  20           HA       ALA  20  45.827  17.246   5.355
  141    HB1  ALA  20           HB1      ALA  20  44.858  14.727   3.972
  142    HB2  ALA  20           HB2      ALA  20  43.943  15.825   5.034
  143    HB3  ALA  20           HB3      ALA  20  45.221  14.788   5.713
  144    H    LEU  21           HN       LEU  21  46.907  14.563   3.212
  145    HA   LEU  21           HA       LEU  21  49.099  13.759   4.777
  146    HB2  LEU  21           HB2      LEU  21  48.316  12.447   2.882
  147    HB3  LEU  21           HB1      LEU  21  48.738  13.751   1.752
  148    HG   LEU  21           HG       LEU  21  51.124  13.460   2.227
  149   HD11  LEU  21          HD11      LEU  21  51.260  12.885   4.528
  150   HD12  LEU  21          HD12      LEU  21  51.736  11.387   3.700
  151   HD13  LEU  21          HD13      LEU  21  50.092  11.554   4.361
  152   HD21  LEU  21          HD21      LEU  21  49.967  11.968   0.556
  153   HD22  LEU  21          HD22      LEU  21  49.813  10.736   1.832
  154   HD23  LEU  21          HD23      LEU  21  51.425  11.239   1.271
  155    H    THR  22           HN       THR  22  48.821  16.380   2.401
  156    HA   THR  22           HA       THR  22  51.527  17.041   2.049
  157    HB   THR  22           HB       THR  22  49.228  19.017   2.404
  158    HG1  THR  22           HG1      THR  22  50.123  18.280  -0.102
  159   HG21  THR  22          HG21      THR  22  50.675  20.352   0.784
  160   HG22  THR  22          HG22      THR  22  51.974  19.178   1.105
  161   HG23  THR  22          HG23      THR  22  51.332  20.182   2.428
  162    H    HIS  23           HN       HIS  23  49.290  18.352   4.546
  163    HA   HIS  23           HA       HIS  23  51.464  19.690   5.951
  164    HB2  HIS  23           HB2      HIS  23  48.608  19.039   6.780
  165    HB3  HIS  23           HB1      HIS  23  49.724  20.078   7.699
  166    HD1  HIS  23           HD1      HIS  23  46.943  20.736   5.909
  167    HD2  HIS  23           HD2      HIS  23  50.928  21.897   5.239
  168    HE1  HIS  23           HE1      HIS  23  46.892  22.787   4.389
  169    H    TYR  24           HN       TYR  24  49.208  17.166   7.154
  170    HA   TYR  24           HA       TYR  24  51.058  16.352   9.224
  171    HB2  TYR  24           HB2      TYR  24  48.618  14.927   8.090
  172    HB3  TYR  24           HB1      TYR  24  49.446  14.524   9.613
  173    HD1  TYR  24           HD1      TYR  24  47.193  16.888   7.912
  174    HD2  TYR  24           HD2      TYR  24  49.412  16.107  11.530
  175    HE1  TYR  24           HE1      TYR  24  45.863  18.626   9.103
  176    HE2  TYR  24           HE2      TYR  24  48.083  17.846  12.720
  177    HH   TYR  24           HH       TYR  24  45.301  19.306  11.471
  178    H    LEU  25           HN       LEU  25  52.668  14.927   9.210
  179    HA   LEU  25           HA       LEU  25  54.242  13.473   8.309
  180    HB2  LEU  25           HB2      LEU  25  51.912  11.986   7.053
  181    HB3  LEU  25           HB1      LEU  25  53.408  11.328   7.762
  182    HG   LEU  25           HG       LEU  25  51.118  12.677   9.261
  183   HD11  LEU  25          HD11      LEU  25  52.225   9.846   9.468
  184   HD12  LEU  25          HD12      LEU  25  50.824  10.284   8.461
  185   HD13  LEU  25          HD13      LEU  25  50.750  10.489  10.228
  186   HD21  LEU  25          HD21      LEU  25  53.867  11.712  10.158
  187   HD22  LEU  25          HD22      LEU  25  52.512  11.920  11.292
  188   HD23  LEU  25          HD23      LEU  25  53.140  13.319  10.391
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1  61.684   4.019  -6.586
    2    H2   GLY   1           HT2      GLY   1  60.514   2.786  -6.566
    3    H3   GLY   1           HT3      GLY   1  60.623   3.841  -7.894
    4    HA2  GLY   1           HA1      GLY   1  63.105   2.856  -7.743
    5    HA3  GLY   1           HA2      GLY   1  62.091   1.474  -7.282
    6    H    TRP   2           HN       TRP   2  63.481   1.137  -9.512
    7    HA   TRP   2           HA       TRP   2  62.485   2.121 -11.947
    8    HB2  TRP   2           HB2      TRP   2  64.471   0.657 -11.734
    9    HB3  TRP   2           HB1      TRP   2  63.409  -0.717 -11.342
   10    HD1  TRP   2           HD1      TRP   2  63.456   1.976 -14.148
   11    HE1  TRP   2           HE1      TRP   2  63.020   0.813 -16.432
   12    HE3  TRP   2           HE3      TRP   2  62.978  -2.851 -12.515
   13    HZ2  TRP   2           HZ2      TRP   2  62.532  -1.861 -17.386
   14    HZ3  TRP   2           HZ3      TRP   2  62.528  -4.693 -14.130
   15    HH2  TRP   2           HH2      TRP   2  62.304  -4.202 -16.562
   16    H    GLY   3           HN       GLY   3  61.604  -1.089 -10.589
   17    HA2  GLY   3           HA1      GLY   3  59.305  -1.359 -12.278
   18    HA3  GLY   3           HA2      GLY   3  59.659  -2.317 -10.826
   19    H    SER   4           HN       SER   4  59.836   0.533  -9.481
   20    HA   SER   4           HA       SER   4  58.388   1.688  -8.079
   21    HB2  SER   4           HB2      SER   4  56.528   2.761  -9.151
   22    HB3  SER   4           HB1      SER   4  57.804   2.603 -10.378
   23    HG   SER   4           HG       SER   4  55.477   1.881 -10.816
   24    H    PHE   5           HN       PHE   5  55.948   1.752  -7.284
   25    HA   PHE   5           HA       PHE   5  54.650  -0.893  -7.282
   26    HB2  PHE   5           HB2      PHE   5  55.899   0.216  -4.734
   27    HB3  PHE   5           HB1      PHE   5  54.813  -1.191  -4.829
   28    HD1  PHE   5           HD1      PHE   5  55.519  -3.235  -6.119
   29    HD2  PHE   5           HD2      PHE   5  58.227   0.036  -5.339
   30    HE1  PHE   5           HE1      PHE   5  57.454  -4.706  -6.666
   31    HE2  PHE   5           HE2      PHE   5  60.161  -1.436  -5.886
   32    HZ   PHE   5           HZ       PHE   5  59.778  -3.824  -6.488
   33    H    PHE   6           HN       PHE   6  52.557  -0.472  -7.381
   34    HA   PHE   6           HA       PHE   6  51.420   2.093  -7.026
   35    HB2  PHE   6           HB2      PHE   6  50.072  -0.620  -6.710
   36    HB3  PHE   6           HB1      PHE   6  49.249   0.930  -7.009
   37    HD1  PHE   6           HD1      PHE   6  51.379  -1.718  -8.466
   38    HD2  PHE   6           HD2      PHE   6  49.444   2.073  -9.180
   39    HE1  PHE   6           HE1      PHE   6  51.749  -1.991 -10.915
   40    HE2  PHE   6           HE2      PHE   6  49.815   1.801 -11.630
   41    HZ   PHE   6           HZ       PHE   6  51.013  -0.206 -12.492
   42    H    LYS   7           HN       LYS   7  49.257   2.004  -5.406
   43    HA   LYS   7           HA       LYS   7  49.938   1.103  -2.717
   44    HB2  LYS   7           HB2      LYS   7  50.088   3.378  -1.716
   45    HB3  LYS   7           HB1      LYS   7  51.446   3.028  -2.812
   46    HG2  LYS   7           HG2      LYS   7  50.166   4.201  -4.652
   47    HG3  LYS   7           HG1      LYS   7  48.968   4.691  -3.428
   48    HD2  LYS   7           HD2      LYS   7  50.690   5.883  -2.159
   49    HD3  LYS   7           HD1      LYS   7  51.950   5.316  -3.281
   50    HE2  LYS   7           HE2      LYS   7  51.385   7.564  -3.947
   51    HE3  LYS   7           HE1      LYS   7  50.656   6.473  -5.149
   52    HZ1  LYS   7           HZ1      LYS   7  49.224   7.589  -2.789
   53    HZ2  LYS   7           HZ2      LYS   7  48.550   6.661  -4.043
   54    HZ3  LYS   7           HZ3      LYS   7  49.131   8.225  -4.358
   55    H    LYS   8           HN       LYS   8  48.356   2.125  -1.082
   56    HA   LYS   8           HA       LYS   8  45.873   3.195  -2.179
   57    HB2  LYS   8           HB2      LYS   8  45.595   0.856  -2.875
   58    HB3  LYS   8           HB1      LYS   8  45.925   0.306  -1.215
   59    HG2  LYS   8           HG2      LYS   8  43.918   1.324  -0.375
   60    HG3  LYS   8           HG1      LYS   8  43.668   2.237  -1.881
   61    HD2  LYS   8           HD2      LYS   8  42.142   0.322  -1.833
   62    HD3  LYS   8           HD1      LYS   8  43.358   0.081  -3.108
   63    HE2  LYS   8           HE2      LYS   8  43.816  -1.041  -0.322
   64    HE3  LYS   8           HE1      LYS   8  42.817  -1.919  -1.501
   65    HZ1  LYS   8           HZ1      LYS   8  45.089  -1.089  -2.855
   66    HZ2  LYS   8           HZ2      LYS   8  44.682  -2.671  -2.389
   67    HZ3  LYS   8           HZ3      LYS   8  45.638  -1.703  -1.373
   68    H    ALA   9           HN       ALA   9  46.179   0.863   0.491
   69    HA   ALA   9           HA       ALA   9  45.229   2.929   2.376
   70    HB1  ALA   9           HB1      ALA   9  45.115   1.093   3.966
   71    HB2  ALA   9           HB2      ALA   9  46.023   0.037   2.860
   72    HB3  ALA   9           HB3      ALA   9  44.388   0.586   2.423
   73    H    ALA  10           HN       ALA  10  47.127   4.330   2.153
   74    HA   ALA  10           HA       ALA  10  48.989   3.856   4.315
   75    HB1  ALA  10           HB1      ALA  10  51.057   3.752   2.963
   76    HB2  ALA  10           HB2      ALA  10  50.072   3.628   1.485
   77    HB3  ALA  10           HB3      ALA  10  50.019   2.331   2.703
   78    H    HIS  11           HN       HIS  11  47.696   5.920   4.538
   79    HA   HIS  11           HA       HIS  11  47.572   8.238   4.417
   80    HB2  HIS  11           HB2      HIS  11  50.556   7.824   3.979
   81    HB3  HIS  11           HB1      HIS  11  49.800   9.397   4.335
   82    HD1  HIS  11           HD1      HIS  11  47.617   7.726   6.264
   83    HD2  HIS  11           HD2      HIS  11  51.802   7.948   6.603
   84    HE1  HIS  11           HE1      HIS  11  48.211   7.239   8.703
   85    H    ALA  12           HN       ALA  12  46.278   8.341   2.537
   86    HA   ALA  12           HA       ALA  12  47.539   9.823   0.370
   87    HB1  ALA  12           HB1      ALA  12  47.070   8.255  -1.432
   88    HB2  ALA  12           HB2      ALA  12  46.430   7.067  -0.270
   89    HB3  ALA  12           HB3      ALA  12  48.158   7.495  -0.247
   90    H    GLY  13           HN       GLY  13  46.099  11.342  -0.068
   91    HA2  GLY  13           HA1      GLY  13  44.064  12.364  -0.459
   92    HA3  GLY  13           HA2      GLY  13  43.433  10.767  -0.905
   93    H    LYS  14           HN       LYS  14  44.822  11.543   2.251
   94    HA   LYS  14           HA       LYS  14  42.250  12.062   3.512
   95    HB2  LYS  14           HB2      LYS  14  42.213   9.544   3.016
   96    HB3  LYS  14           HB1      LYS  14  43.533   9.391   4.198
   97    HG2  LYS  14           HG2      LYS  14  42.002  10.676   5.834
   98    HG3  LYS  14           HG1      LYS  14  40.692  10.381   4.668
   99    HD2  LYS  14           HD2      LYS  14  42.395   8.270   6.068
  100    HD3  LYS  14           HD1      LYS  14  40.677   8.620   6.372
  101    HE2  LYS  14           HE2      LYS  14  41.947   7.371   3.914
  102    HE3  LYS  14           HE1      LYS  14  40.636   6.732   4.933
  103    HZ1  LYS  14           HZ1      LYS  14  39.364   7.572   3.294
  104    HZ2  LYS  14           HZ2      LYS  14  40.536   8.689   2.779
  105    HZ3  LYS  14           HZ3      LYS  14  39.566   9.034   4.130
  106    H    HIS  15           HN       HIS  15  42.462  12.742   5.644
  107    HA   HIS  15           HA       HIS  15  43.597  13.744   7.398
  108    HB2  HIS  15           HB2      HIS  15  45.421  11.346   6.960
  109    HB3  HIS  15           HB1      HIS  15  45.490  12.423   8.374
  110    HD1  HIS  15           HD1      HIS  15  43.738   9.477   7.004
  111    HD2  HIS  15           HD2      HIS  15  42.908  12.445   9.865
  112    HE1  HIS  15           HE1      HIS  15  41.819   8.619   8.457
  113    H    ALA  16           HN       ALA  16  46.561  12.400   5.983
  114    HA   ALA  16           HA       ALA  16  47.404  15.191   5.197
  115    HB1  ALA  16           HB1      ALA  16  48.463  14.566   7.325
  116    HB2  ALA  16           HB2      ALA  16  49.661  14.638   6.011
  117    HB3  ALA  16           HB3      ALA  16  49.069  13.063   6.590
  118    H    GLY  17           HN       GLY  17  46.326  13.904   3.225
  119    HA2  GLY  17           HA1      GLY  17  48.139  12.027   1.910
  120    HA3  GLY  17           HA2      GLY  17  46.664  12.744   1.232
  121    H    LYS  18           HN       LYS  18  49.879  13.891   2.371
  122    HA   LYS  18           HA       LYS  18  51.357  15.384   1.387
  123    HB2  LYS  18           HB2      LYS  18  50.183  14.581  -1.296
  124    HB3  LYS  18           HB1      LYS  18  51.849  15.078  -0.918
  125    HG2  LYS  18           HG2      LYS  18  50.484  12.515   0.027
  126    HG3  LYS  18           HG1      LYS  18  51.725  12.637  -1.243
  127    HD2  LYS  18           HD2      LYS  18  53.228  13.731   0.554
  128    HD3  LYS  18           HD1      LYS  18  52.031  13.156   1.740
  129    HE2  LYS  18           HE2      LYS  18  52.318  10.830   0.822
  130    HE3  LYS  18           HE1      LYS  18  53.626  11.446  -0.217
  131    HZ1  LYS  18           HZ1      LYS  18  54.922  10.983   1.527
  132    HZ2  LYS  18           HZ2      LYS  18  53.623  10.887   2.617
  133    HZ3  LYS  18           HZ3      LYS  18  54.297  12.396   2.224
  134    H    ALA  19           HN       ALA  19  50.027  17.081   2.386
  135    HA   ALA  19           HA       ALA  19  48.962  19.134   2.271
  136    HB1  ALA  19           HB1      ALA  19  49.402  20.513   0.370
  137    HB2  ALA  19           HB2      ALA  19  49.633  19.100  -0.686
  138    HB3  ALA  19           HB3      ALA  19  50.826  19.469   0.584
  139    H    ALA  20           HN       ALA  20  47.365  16.773   1.967
  140    HA   ALA  20           HA       ALA  20  45.411  17.301  -0.164
  141    HB1  ALA  20           HB1      ALA  20  45.808  15.014   0.496
  142    HB2  ALA  20           HB2      ALA  20  44.150  15.454   0.973
  143    HB3  ALA  20           HB3      ALA  20  45.443  15.391   2.196
  144    H    LEU  21           HN       LEU  21  44.469  16.604   3.168
  145    HA   LEU  21           HA       LEU  21  42.420  18.697   3.044
  146    HB2  LEU  21           HB2      LEU  21  43.211  17.117   5.513
  147    HB3  LEU  21           HB1      LEU  21  41.618  17.782   5.076
  148    HG   LEU  21           HG       LEU  21  43.073  15.483   3.694
  149   HD11  LEU  21          HD11      LEU  21  41.189  14.142   4.531
  150   HD12  LEU  21          HD12      LEU  21  40.462  15.590   5.269
  151   HD13  LEU  21          HD13      LEU  21  42.005  14.954   5.887
  152   HD21  LEU  21          HD21      LEU  21  40.504  16.984   3.033
  153   HD22  LEU  21          HD22      LEU  21  40.816  15.332   2.446
  154   HD23  LEU  21          HD23      LEU  21  41.895  16.663   1.970
  155    H    THR  22           HN       THR  22  45.413  19.351   3.051
  156    HA   THR  22           HA       THR  22  46.823  20.903   4.055
  157    HB   THR  22           HB       THR  22  45.710  22.992   4.872
  158    HG1  THR  22           HG1      THR  22  43.227  22.479   4.180
  159   HG21  THR  22          HG21      THR  22  44.504  21.839   2.322
  160   HG22  THR  22          HG22      THR  22  46.113  22.590   2.449
  161   HG23  THR  22          HG23      THR  22  44.650  23.566   2.729
  162    H    HIS  23           HN       HIS  23  47.226  19.018   5.607
  163    HA   HIS  23           HA       HIS  23  46.089  18.951   8.207
  164    HB2  HIS  23           HB2      HIS  23  48.210  17.817   8.868
  165    HB3  HIS  23           HB1      HIS  23  47.526  17.164   7.359
  166    HD1  HIS  23           HD1      HIS  23  50.424  19.139   8.741
  167    HD2  HIS  23           HD2      HIS  23  48.994  17.880   4.990
  168    HE1  HIS  23           HE1      HIS  23  52.302  19.505   7.047
  169    H    TYR  24           HN       TYR  24  45.922  20.603   9.578
  170    HA   TYR  24           HA       TYR  24  47.707  22.875   9.518
  171    HB2  TYR  24           HB2      TYR  24  46.510  23.596  11.531
  172    HB3  TYR  24           HB1      TYR  24  45.355  22.976  10.327
  173    HD1  TYR  24           HD1      TYR  24  44.234  20.807  10.644
  174    HD2  TYR  24           HD2      TYR  24  46.996  22.348  13.582
  175    HE1  TYR  24           HE1      TYR  24  43.416  19.128  12.296
  176    HE2  TYR  24           HE2      TYR  24  46.178  20.670  15.232
  177    HH   TYR  24           HH       TYR  24  43.852  18.161  14.333
  178    H    LEU  25           HN       LEU  25  49.431  23.430  10.783
  179    HA   LEU  25           HA       LEU  25  50.944  21.246  11.938
  180    HB2  LEU  25           HB2      LEU  25  51.454  24.199  12.434
  181    HB3  LEU  25           HB1      LEU  25  52.630  22.864  12.364
  182    HG   LEU  25           HG       LEU  25  51.001  23.977  10.037
  183   HD11  LEU  25          HD11      LEU  25  53.181  24.684   9.177
  184   HD12  LEU  25          HD12      LEU  25  54.005  23.927  10.562
  185   HD13  LEU  25          HD13      LEU  25  52.956  25.342  10.815
  186   HD21  LEU  25          HD21      LEU  25  51.204  21.626   9.629
  187   HD22  LEU  25          HD22      LEU  25  52.858  21.574  10.284
  188   HD23  LEU  25          HD23      LEU  25  52.541  22.365   8.721
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1  57.743   5.197  -8.460
    2    H2   GLY   1           HT2      GLY   1  57.760   6.826  -8.942
    3    H3   GLY   1           HT3      GLY   1  57.974   6.417  -7.306
    4    HA2  GLY   1           HA1      GLY   1  59.795   5.689  -9.504
    5    HA3  GLY   1           HA2      GLY   1  60.029   7.051  -8.393
    6    H    TRP   2           HN       TRP   2  58.488   4.813  -6.574
    7    HA   TRP   2           HA       TRP   2  60.638   2.933  -6.054
    8    HB2  TRP   2           HB2      TRP   2  61.658   4.994  -5.099
    9    HB3  TRP   2           HB1      TRP   2  60.247   5.172  -4.029
   10    HD1  TRP   2           HD1      TRP   2  62.672   2.264  -4.918
   11    HE1  TRP   2           HE1      TRP   2  63.336   1.029  -2.728
   12    HE3  TRP   2           HE3      TRP   2  59.971   5.043  -1.574
   13    HZ2  TRP   2           HZ2      TRP   2  62.754   1.245   0.083
   14    HZ3  TRP   2           HZ3      TRP   2  60.041   4.511   0.858
   15    HH2  TRP   2           HH2      TRP   2  61.428   2.617   1.689
   16    H    GLY   3           HN       GLY   3  60.140   1.467  -4.308
   17    HA2  GLY   3           HA1      GLY   3  57.464   0.661  -4.217
   18    HA3  GLY   3           HA2      GLY   3  58.681   0.238  -2.998
   19    H    SER   4           HN       SER   4  55.962   2.250  -3.821
   20    HA   SER   4           HA       SER   4  55.410   2.770  -1.026
   21    HB2  SER   4           HB2      SER   4  55.679   5.195  -1.020
   22    HB3  SER   4           HB1      SER   4  57.238   4.429  -1.399
   23    HG   SER   4           HG       SER   4  56.076   4.718  -3.696
   24    H    PHE   5           HN       PHE   5  54.959   4.028  -4.356
   25    HA   PHE   5           HA       PHE   5  52.289   4.962  -3.963
   26    HB2  PHE   5           HB2      PHE   5  52.125   4.735  -6.470
   27    HB3  PHE   5           HB1      PHE   5  53.555   5.636  -5.912
   28    HD1  PHE   5           HD1      PHE   5  55.800   4.691  -6.099
   29    HD2  PHE   5           HD2      PHE   5  52.338   2.439  -7.350
   30    HE1  PHE   5           HE1      PHE   5  57.282   3.065  -7.269
   31    HE2  PHE   5           HE2      PHE   5  53.820   0.813  -8.521
   32    HZ   PHE   5           HZ       PHE   5  56.294   1.109  -8.456
   33    H    PHE   6           HN       PHE   6  50.681   3.805  -5.852
   34    HA   PHE   6           HA       PHE   6  50.567   0.904  -5.496
   35    HB2  PHE   6           HB2      PHE   6  49.731   1.558  -3.294
   36    HB3  PHE   6           HB1      PHE   6  48.559   2.673  -4.036
   37    HD1  PHE   6           HD1      PHE   6  46.412   1.884  -4.690
   38    HD2  PHE   6           HD2      PHE   6  49.589  -0.945  -3.953
   39    HE1  PHE   6           HE1      PHE   6  44.792   0.004  -4.920
   40    HE2  PHE   6           HE2      PHE   6  47.967  -2.824  -4.184
   41    HZ   PHE   6           HZ       PHE   6  45.582  -2.350  -4.722
   42    H    LYS   7           HN       LYS   7  47.778   3.098  -5.632
   43    HA   LYS   7           HA       LYS   7  47.648   3.183  -8.522
   44    HB2  LYS   7           HB2      LYS   7  47.140   0.780  -8.227
   45    HB3  LYS   7           HB1      LYS   7  45.805   1.201  -7.127
   46    HG2  LYS   7           HG2      LYS   7  44.588   2.313  -8.881
   47    HG3  LYS   7           HG1      LYS   7  45.986   2.251  -9.980
   48    HD2  LYS   7           HD2      LYS   7  45.827  -0.146 -10.187
   49    HD3  LYS   7           HD1      LYS   7  44.635  -0.241  -8.867
   50    HE2  LYS   7           HE2      LYS   7  43.561  -0.418 -11.112
   51    HE3  LYS   7           HE1      LYS   7  43.004   1.015 -10.216
   52    HZ1  LYS   7           HZ1      LYS   7  45.355   1.363 -11.907
   53    HZ2  LYS   7           HZ2      LYS   7  44.049   2.411 -11.626
   54    HZ3  LYS   7           HZ3      LYS   7  43.884   1.118 -12.715
   55    H    LYS   8           HN       LYS   8  45.051   2.585  -6.130
   56    HA   LYS   8           HA       LYS   8  43.511   4.840  -6.997
   57    HB2  LYS   8           HB2      LYS   8  43.464   3.326  -4.356
   58    HB3  LYS   8           HB1      LYS   8  42.208   4.457  -4.913
   59    HG2  LYS   8           HG2      LYS   8  41.816   3.049  -6.911
   60    HG3  LYS   8           HG1      LYS   8  43.076   1.916  -6.362
   61    HD2  LYS   8           HD2      LYS   8  41.795   1.437  -4.318
   62    HD3  LYS   8           HD1      LYS   8  40.553   2.620  -4.798
   63    HE2  LYS   8           HE2      LYS   8  41.311   0.103  -6.346
   64    HE3  LYS   8           HE1      LYS   8  39.838   0.323  -5.370
   65    HZ1  LYS   8           HZ1      LYS   8  39.511   2.383  -6.871
   66    HZ2  LYS   8           HZ2      LYS   8  39.132   0.846  -7.487
   67    HZ3  LYS   8           HZ3      LYS   8  40.589   1.602  -7.923
   68    H    ALA   9           HN       ALA   9  44.720   4.490  -3.657
   69    HA   ALA   9           HA       ALA   9  44.752   7.290  -3.158
   70    HB1  ALA   9           HB1      ALA   9  44.734   5.729  -1.330
   71    HB2  ALA   9           HB2      ALA   9  46.249   6.659  -1.228
   72    HB3  ALA   9           HB3      ALA   9  46.264   4.998  -1.867
   73    H    ALA  10           HN       ALA  10  47.133   8.027  -2.104
   74    HA   ALA  10           HA       ALA  10  49.356   7.527  -3.909
   75    HB1  ALA  10           HB1      ALA  10  47.845   8.976  -5.317
   76    HB2  ALA  10           HB2      ALA  10  49.462   9.658  -5.015
   77    HB3  ALA  10           HB3      ALA  10  48.056  10.263  -4.105
   78    H    HIS  11           HN       HIS  11  47.756   9.497  -1.451
   79    HA   HIS  11           HA       HIS  11  50.063  10.912  -0.526
   80    HB2  HIS  11           HB2      HIS  11  47.576   9.986   0.966
   81    HB3  HIS  11           HB1      HIS  11  48.766  11.151   1.596
   82    HD1  HIS  11           HD1      HIS  11  48.525  13.558   0.902
   83    HD2  HIS  11           HD2      HIS  11  46.188  10.958  -1.435
   84    HE1  HIS  11           HE1      HIS  11  47.093  15.003  -0.643
   85    H    ALA  12           HN       ALA  12  51.922   9.917  -0.031
   86    HA   ALA  12           HA       ALA  12  52.216   7.255   0.855
   87    HB1  ALA  12           HB1      ALA  12  53.965   9.646   1.532
   88    HB2  ALA  12           HB2      ALA  12  54.064   8.677   0.042
   89    HB3  ALA  12           HB3      ALA  12  54.446   7.935   1.614
   90    H    GLY  13           HN       GLY  13  50.800   9.871   2.477
   91    HA2  GLY  13           HA1      GLY  13  51.597   9.197   5.181
   92    HA3  GLY  13           HA2      GLY  13  50.245  10.241   4.700
   93    H    LYS  14           HN       LYS  14  48.182   9.415   4.487
   94    HA   LYS  14           HA       LYS  14  47.690   6.542   4.688
   95    HB2  LYS  14           HB2      LYS  14  48.298   7.243   7.068
   96    HB3  LYS  14           HB1      LYS  14  46.820   8.236   7.059
   97    HG2  LYS  14           HG2      LYS  14  45.554   6.112   6.374
   98    HG3  LYS  14           HG1      LYS  14  47.042   5.214   6.757
   99    HD2  LYS  14           HD2      LYS  14  45.535   7.034   8.689
  100    HD3  LYS  14           HD1      LYS  14  45.466   5.257   8.686
  101    HE2  LYS  14           HE2      LYS  14  48.069   5.363   8.897
  102    HE3  LYS  14           HE1      LYS  14  47.808   7.059   9.373
  103    HZ1  LYS  14           HZ1      LYS  14  47.312   6.340  11.392
  104    HZ2  LYS  14           HZ2      LYS  14  47.459   4.718  10.909
  105    HZ3  LYS  14           HZ3      LYS  14  45.965   5.514  10.774
  106    H    HIS  15           HN       HIS  15  46.832   7.810   2.659
  107    HA   HIS  15           HA       HIS  15  44.970   8.520   1.477
  108    HB2  HIS  15           HB2      HIS  15  44.066   6.404   2.487
  109    HB3  HIS  15           HB1      HIS  15  43.400   7.378   3.820
  110    HD1  HIS  15           HD1      HIS  15  43.260   9.423   0.855
  111    HD2  HIS  15           HD2      HIS  15  40.938   6.245   2.332
  112    HE1  HIS  15           HE1      HIS  15  40.988   9.539  -0.305
  113    H    ALA  16           HN       ALA  16  45.833  10.715   2.109
  114    HA   ALA  16           HA       ALA  16  45.466  12.873   2.888
  115    HB1  ALA  16           HB1      ALA  16  43.511  12.486   1.349
  116    HB2  ALA  16           HB2      ALA  16  43.223  13.702   2.617
  117    HB3  ALA  16           HB3      ALA  16  42.543  12.064   2.780
  118    H    GLY  17           HN       GLY  17  46.365  11.671   4.962
  119    HA2  GLY  17           HA1      GLY  17  44.478  11.395   7.156
  120    HA3  GLY  17           HA2      GLY  17  46.249  11.391   7.267
  121    H    LYS  18           HN       LYS  18  43.347  13.416   7.111
  122    HA   LYS  18           HA       LYS  18  42.991  15.594   7.827
  123    HB2  LYS  18           HB2      LYS  18  45.444  15.205   9.579
  124    HB3  LYS  18           HB1      LYS  18  44.044  16.266   9.871
  125    HG2  LYS  18           HG2      LYS  18  42.573  14.258  10.009
  126    HG3  LYS  18           HG1      LYS  18  44.000  13.217   9.783
  127    HD2  LYS  18           HD2      LYS  18  45.012  14.089  11.838
  128    HD3  LYS  18           HD1      LYS  18  43.662  15.232  12.049
  129    HE2  LYS  18           HE2      LYS  18  42.083  13.406  12.349
  130    HE3  LYS  18           HE1      LYS  18  43.331  12.203  11.945
  131    HZ1  LYS  18           HZ1      LYS  18  44.606  13.182  13.893
  132    HZ2  LYS  18           HZ2      LYS  18  43.242  12.242  14.268
  133    HZ3  LYS  18           HZ3      LYS  18  43.156  13.937  14.345
  134    H    ALA  19           HN       ALA  19  44.112  15.614   5.442
  135    HA   ALA  19           HA       ALA  19  45.164  17.109   4.022
  136    HB1  ALA  19           HB1      ALA  19  46.434  18.628   6.306
  137    HB2  ALA  19           HB2      ALA  19  44.678  18.733   6.045
  138    HB3  ALA  19           HB3      ALA  19  45.798  19.229   4.756
  139    H    ALA  20           HN       ALA  20  46.302  14.817   4.096
  140    HA   ALA  20           HA       ALA  20  48.290  13.624   3.961
  141    HB1  ALA  20           HB1      ALA  20  50.090  14.769   2.807
  142    HB2  ALA  20           HB2      ALA  20  49.418  16.354   3.261
  143    HB3  ALA  20           HB3      ALA  20  48.531  15.301   2.132
  144    H    LEU  21           HN       LEU  21  47.723  14.203   6.586
  145    HA   LEU  21           HA       LEU  21  48.696  14.583   8.683
  146    HB2  LEU  21           HB2      LEU  21  51.086  13.319   7.287
  147    HB3  LEU  21           HB1      LEU  21  50.755  13.316   9.031
  148    HG   LEU  21           HG       LEU  21  48.819  12.112   7.004
  149   HD11  LEU  21          HD11      LEU  21  51.027  10.703   8.568
  150   HD12  LEU  21          HD12      LEU  21  51.032  10.993   6.811
  151   HD13  LEU  21          HD13      LEU  21  49.812   9.917   7.533
  152   HD21  LEU  21          HD21      LEU  21  49.203  11.891  10.026
  153   HD22  LEU  21          HD22      LEU  21  48.188  10.764   9.096
  154   HD23  LEU  21          HD23      LEU  21  47.776  12.490   9.149
  155    H    THR  22           HN       THR  22  49.047  16.796   6.700
  156    HA   THR  22           HA       THR  22  50.947  18.334   8.281
  157    HB   THR  22           HB       THR  22  51.718  17.731   5.391
  158    HG1  THR  22           HG1      THR  22  53.655  17.011   6.752
  159   HG21  THR  22          HG21      THR  22  52.309  19.995   5.921
  160   HG22  THR  22          HG22      THR  22  53.793  19.035   6.117
  161   HG23  THR  22          HG23      THR  22  52.865  19.540   7.549
  162    H    HIS  23           HN       HIS  23  49.810  18.296   4.863
  163    HA   HIS  23           HA       HIS  23  47.975  20.530   5.391
  164    HB2  HIS  23           HB2      HIS  23  50.529  20.945   3.788
  165    HB3  HIS  23           HB1      HIS  23  49.110  22.011   3.662
  166    HD1  HIS  23           HD1      HIS  23  48.191  22.387   6.489
  167    HD2  HIS  23           HD2      HIS  23  52.263  22.328   5.440
  168    HE1  HIS  23           HE1      HIS  23  49.475  23.577   8.351
  169    H    TYR  24           HN       TYR  24  47.224  21.405   3.090
  170    HA   TYR  24           HA       TYR  24  45.949  19.188   1.821
  171    HB2  TYR  24           HB2      TYR  24  46.414  22.034   0.849
  172    HB3  TYR  24           HB1      TYR  24  45.314  20.866   0.076
  173    HD1  TYR  24           HD1      TYR  24  43.203  20.242   1.109
  174    HD2  TYR  24           HD2      TYR  24  45.951  22.880   3.138
  175    HE1  TYR  24           HE1      TYR  24  41.427  20.825   2.756
  176    HE2  TYR  24           HE2      TYR  24  44.175  23.463   4.786
  177    HH   TYR  24           HH       TYR  24  41.853  23.293   5.195
  178    H    LEU  25           HN       LEU  25  49.047  20.737   1.295
  179    HA   LEU  25           HA       LEU  25  49.439  19.766  -1.408
  180    HB2  LEU  25           HB2      LEU  25  51.639  20.352   0.602
  181    HB3  LEU  25           HB1      LEU  25  51.683  20.517  -1.170
  182    HG   LEU  25           HG       LEU  25  50.021  22.191   0.765
  183   HD11  LEU  25          HD11      LEU  25  52.333  22.936  -1.082
  184   HD12  LEU  25          HD12      LEU  25  52.476  22.689   0.675
  185   HD13  LEU  25          HD13      LEU  25  51.481  24.022   0.041
  186   HD21  LEU  25          HD21      LEU  25  50.141  22.058  -2.277
  187   HD22  LEU  25          HD22      LEU  25  49.593  23.522  -1.423
  188   HD23  LEU  25          HD23      LEU  25  48.709  21.993  -1.223
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1  54.967  -0.386 -14.760
    2    H2   GLY   1           HT2      GLY   1  56.179  -0.597 -13.587
    3    H3   GLY   1           HT3      GLY   1  56.120   0.830 -14.507
    4    HA2  GLY   1           HA1      GLY   1  54.006   1.391 -13.539
    5    HA3  GLY   1           HA2      GLY   1  54.111  -0.081 -12.555
    6    H    TRP   2           HN       TRP   2  53.785   1.775 -10.926
    7    HA   TRP   2           HA       TRP   2  56.122   3.410 -10.337
    8    HB2  TRP   2           HB2      TRP   2  53.796   4.050  -9.708
    9    HB3  TRP   2           HB1      TRP   2  53.757   2.689  -8.561
   10    HD1  TRP   2           HD1      TRP   2  54.839   3.039  -6.259
   11    HE1  TRP   2           HE1      TRP   2  56.138   4.963  -5.086
   12    HE3  TRP   2           HE3      TRP   2  55.561   6.104 -10.297
   13    HZ2  TRP   2           HZ2      TRP   2  57.317   7.482  -5.832
   14    HZ3  TRP   2           HZ3      TRP   2  56.775   8.262 -10.042
   15    HH2  TRP   2           HH2      TRP   2  57.653   8.953  -7.816
   16    H    GLY   3           HN       GLY   3  57.255   3.322  -8.224
   17    HA2  GLY   3           HA1      GLY   3  58.359   0.657  -7.849
   18    HA3  GLY   3           HA2      GLY   3  58.799   2.128  -6.960
   19    H    SER   4           HN       SER   4  55.524   0.804  -7.262
   20    HA   SER   4           HA       SER   4  54.894   1.034  -4.533
   21    HB2  SER   4           HB2      SER   4  52.998  -0.348  -4.990
   22    HB3  SER   4           HB1      SER   4  53.335   0.536  -6.494
   23    HG   SER   4           HG       SER   4  54.798  -1.566  -6.695
   24    H    PHE   5           HN       PHE   5  56.513   0.340  -3.150
   25    HA   PHE   5           HA       PHE   5  57.881  -2.132  -3.292
   26    HB2  PHE   5           HB2      PHE   5  57.028  -0.683  -0.755
   27    HB3  PHE   5           HB1      PHE   5  58.397  -1.804  -0.942
   28    HD1  PHE   5           HD1      PHE   5  57.245   1.633  -1.348
   29    HD2  PHE   5           HD2      PHE   5  60.304  -1.185  -2.504
   30    HE1  PHE   5           HE1      PHE   5  58.708   3.517  -2.066
   31    HE2  PHE   5           HE2      PHE   5  61.767   0.700  -3.224
   32    HZ   PHE   5           HZ       PHE   5  60.974   3.051  -2.994
   33    H    PHE   6           HN       PHE   6  54.902  -1.299  -1.463
   34    HA   PHE   6           HA       PHE   6  53.762  -3.921  -1.931
   35    HB2  PHE   6           HB2      PHE   6  55.466  -4.547  -0.235
   36    HB3  PHE   6           HB1      PHE   6  54.766  -3.353   0.886
   37    HD1  PHE   6           HD1      PHE   6  54.321  -6.640  -0.723
   38    HD2  PHE   6           HD2      PHE   6  52.486  -3.666   1.811
   39    HE1  PHE   6           HE1      PHE   6  52.617  -8.307  -0.001
   40    HE2  PHE   6           HE2      PHE   6  50.781  -5.334   2.533
   41    HZ   PHE   6           HZ       PHE   6  50.804  -7.634   1.571
   42    H    LYS   7           HN       LYS   7  53.881  -1.152   0.344
   43    HA   LYS   7           HA       LYS   7  51.022  -1.284   0.886
   44    HB2  LYS   7           HB2      LYS   7  53.047   0.942   1.353
   45    HB3  LYS   7           HB1      LYS   7  51.397   0.887   2.020
   46    HG2  LYS   7           HG2      LYS   7  51.974  -1.312   3.108
   47    HG3  LYS   7           HG1      LYS   7  53.651  -1.096   2.551
   48    HD2  LYS   7           HD2      LYS   7  53.892   0.940   3.850
   49    HD3  LYS   7           HD1      LYS   7  52.162   0.934   4.268
   50    HE2  LYS   7           HE2      LYS   7  53.552   0.061   6.136
   51    HE3  LYS   7           HE1      LYS   7  52.453  -1.187   5.501
   52    HZ1  LYS   7           HZ1      LYS   7  54.202  -2.211   4.339
   53    HZ2  LYS   7           HZ2      LYS   7  54.846  -1.863   5.873
   54    HZ3  LYS   7           HZ3      LYS   7  55.245  -0.888   4.540
   55    H    LYS   8           HN       LYS   8  49.435   0.291   0.317
   56    HA   LYS   8           HA       LYS   8  49.650   1.086  -2.503
   57    HB2  LYS   8           HB2      LYS   8  47.435   1.726  -0.520
   58    HB3  LYS   8           HB1      LYS   8  47.331   1.703  -2.297
   59    HG2  LYS   8           HG2      LYS   8  47.832  -0.730  -2.289
   60    HG3  LYS   8           HG1      LYS   8  47.906  -0.703  -0.511
   61    HD2  LYS   8           HD2      LYS   8  45.531   0.225  -0.533
   62    HD3  LYS   8           HD1      LYS   8  45.493  -0.130  -2.277
   63    HE2  LYS   8           HE2      LYS   8  45.935  -2.128  -0.016
   64    HE3  LYS   8           HE1      LYS   8  44.512  -2.013  -1.079
   65    HZ1  LYS   8           HZ1      LYS   8  46.231  -3.741  -1.678
   66    HZ2  LYS   8           HZ2      LYS   8  47.253  -2.460  -2.126
   67    HZ3  LYS   8           HZ3      LYS   8  45.771  -2.689  -2.926
   68    H    ALA   9           HN       ALA   9  51.371   2.621  -2.433
   69    HA   ALA   9           HA       ALA   9  51.007   5.072  -0.827
   70    HB1  ALA   9           HB1      ALA   9  53.112   5.761  -1.806
   71    HB2  ALA   9           HB2      ALA   9  53.020   4.460  -3.019
   72    HB3  ALA   9           HB3      ALA   9  53.245   4.060  -1.299
   73    H    ALA  10           HN       ALA  10  49.321   4.003  -3.330
   74    HA   ALA  10           HA       ALA  10  49.557   6.012  -5.347
   75    HB1  ALA  10           HB1      ALA  10  47.202   5.345  -5.912
   76    HB2  ALA  10           HB2      ALA  10  47.193   4.332  -4.448
   77    HB3  ALA  10           HB3      ALA  10  48.331   3.979  -5.771
   78    H    HIS  11           HN       HIS  11  48.043   6.012  -2.184
   79    HA   HIS  11           HA       HIS  11  46.214   8.167  -2.561
   80    HB2  HIS  11           HB2      HIS  11  47.804   7.386  -0.084
   81    HB3  HIS  11           HB1      HIS  11  46.380   8.455  -0.105
   82    HD1  HIS  11           HD1      HIS  11  47.374   4.873  -1.067
   83    HD2  HIS  11           HD2      HIS  11  43.980   7.084   0.063
   84    HE1  HIS  11           HE1      HIS  11  45.434   3.225  -0.838
   85    H    ALA  12           HN       ALA  12  46.722  10.071  -3.431
   86    HA   ALA  12           HA       ALA  12  49.393  11.237  -3.097
   87    HB1  ALA  12           HB1      ALA  12  46.885  12.515  -4.234
   88    HB2  ALA  12           HB2      ALA  12  47.972  11.455  -5.163
   89    HB3  ALA  12           HB3      ALA  12  48.572  13.000  -4.515
   90    H    GLY  13           HN       GLY  13  49.085  13.872  -2.762
   91    HA2  GLY  13           HA1      GLY  13  48.582  14.067   0.097
   92    HA3  GLY  13           HA2      GLY  13  49.078  15.378  -0.992
   93    H    LYS  14           HN       LYS  14  46.285  13.376  -0.014
   94    HA   LYS  14           HA       LYS  14  44.586  15.697   0.241
   95    HB2  LYS  14           HB2      LYS  14  44.741  15.447  -2.289
   96    HB3  LYS  14           HB1      LYS  14  43.903  13.888  -2.105
   97    HG2  LYS  14           HG2      LYS  14  42.050  15.077  -0.895
   98    HG3  LYS  14           HG1      LYS  14  42.860  16.621  -1.231
   99    HD2  LYS  14           HD2      LYS  14  42.181  14.702  -3.496
  100    HD3  LYS  14           HD1      LYS  14  40.956  15.817  -2.854
  101    HE2  LYS  14           HE2      LYS  14  43.669  16.606  -4.014
  102    HE3  LYS  14           HE1      LYS  14  42.085  16.834  -4.784
  103    HZ1  LYS  14           HZ1      LYS  14  42.155  18.821  -3.790
  104    HZ2  LYS  14           HZ2      LYS  14  43.352  18.357  -2.677
  105    HZ3  LYS  14           HZ3      LYS  14  41.722  17.986  -2.378
  106    H    HIS  15           HN       HIS  15  43.940  12.393  -1.008
  107    HA   HIS  15           HA       HIS  15  41.883  11.933   0.975
  108    HB2  HIS  15           HB2      HIS  15  43.400  10.020  -0.845
  109    HB3  HIS  15           HB1      HIS  15  41.977   9.579   0.130
  110    HD1  HIS  15           HD1      HIS  15  40.411  12.316  -0.312
  111    HD2  HIS  15           HD2      HIS  15  42.152  10.002  -3.360
  112    HE1  HIS  15           HE1      HIS  15  39.172  12.857  -2.481
  113    H    ALA  16           HN       ALA  16  45.339  11.562   0.899
  114    HA   ALA  16           HA       ALA  16  45.640   9.505   2.858
  115    HB1  ALA  16           HB1      ALA  16  47.492  11.881   2.511
  116    HB2  ALA  16           HB2      ALA  16  47.412  10.543   1.340
  117    HB3  ALA  16           HB3      ALA  16  47.899  10.226   3.021
  118    H    GLY  17           HN       GLY  17  45.530  13.079   3.185
  119    HA2  GLY  17           HA1      GLY  17  44.753  14.337   4.981
  120    HA3  GLY  17           HA2      GLY  17  44.265  12.841   5.800
  121    H    LYS  18           HN       LYS  18  46.760  11.509   5.837
  122    HA   LYS  18           HA       LYS  18  47.917  12.778   8.171
  123    HB2  LYS  18           HB2      LYS  18  49.567  10.937   8.054
  124    HB3  LYS  18           HB1      LYS  18  47.900  10.334   7.886
  125    HG2  LYS  18           HG2      LYS  18  48.238  10.487   5.350
  126    HG3  LYS  18           HG1      LYS  18  49.965  10.753   5.686
  127    HD2  LYS  18           HD2      LYS  18  48.354   8.352   6.665
  128    HD3  LYS  18           HD1      LYS  18  49.411   8.345   5.235
  129    HE2  LYS  18           HE2      LYS  18  51.280   9.169   6.845
  130    HE3  LYS  18           HE1      LYS  18  50.185   8.661   8.154
  131    HZ1  LYS  18           HZ1      LYS  18  50.776   6.823   5.923
  132    HZ2  LYS  18           HZ2      LYS  18  50.303   6.467   7.515
  133    HZ3  LYS  18           HZ3      LYS  18  51.887   6.992   7.194
  134    H    ALA  19           HN       ALA  19  48.044  13.861   5.148
  135    HA   ALA  19           HA       ALA  19  50.564  15.282   5.599
  136    HB1  ALA  19           HB1      ALA  19  51.598  14.528   3.454
  137    HB2  ALA  19           HB2      ALA  19  50.334  13.280   3.325
  138    HB3  ALA  19           HB3      ALA  19  51.492  13.239   4.676
  139    H    ALA  20           HN       ALA  20  47.722  15.859   5.251
  140    HA   ALA  20           HA       ALA  20  48.016  17.980   3.267
  141    HB1  ALA  20           HB1      ALA  20  47.499  16.223   1.699
  142    HB2  ALA  20           HB2      ALA  20  46.043  17.228   1.899
  143    HB3  ALA  20           HB3      ALA  20  46.153  15.647   2.711
  144    H    LEU  21           HN       LEU  21  45.072  16.187   4.195
  145    HA   LEU  21           HA       LEU  21  43.864  18.644   5.216
  146    HB2  LEU  21           HB2      LEU  21  42.844  15.810   5.617
  147    HB3  LEU  21           HB1      LEU  21  41.907  17.323   5.559
  148    HG   LEU  21           HG       LEU  21  43.429  16.042   3.246
  149   HD11  LEU  21          HD11      LEU  21  41.275  14.951   3.880
  150   HD12  LEU  21          HD12      LEU  21  41.185  15.737   2.285
  151   HD13  LEU  21          HD13      LEU  21  40.450  16.519   3.705
  152   HD21  LEU  21          HD21      LEU  21  41.978  18.705   3.544
  153   HD22  LEU  21          HD22      LEU  21  42.172  17.924   1.956
  154   HD23  LEU  21          HD23      LEU  21  43.606  18.396   2.895
  155    H    THR  22           HN       THR  22  45.730  18.996   6.759
  156    HA   THR  22           HA       THR  22  44.813  18.301   9.425
  157    HB   THR  22           HB       THR  22  47.491  17.113   8.574
  158    HG1  THR  22           HG1      THR  22  45.115  15.770   9.350
  159   HG21  THR  22          HG21      THR  22  47.300  16.052  10.864
  160   HG22  THR  22          HG22      THR  22  45.903  17.113  11.172
  161   HG23  THR  22          HG23      THR  22  47.513  17.819  10.889
  162    H    HIS  23           HN       HIS  23  48.017  18.912   7.906
  163    HA   HIS  23           HA       HIS  23  48.928  20.762   9.819
  164    HB2  HIS  23           HB2      HIS  23  50.435  21.598   8.023
  165    HB3  HIS  23           HB1      HIS  23  50.381  19.819   8.089
  166    HD1  HIS  23           HD1      HIS  23  48.430  22.618   6.289
  167    HD2  HIS  23           HD2      HIS  23  49.868  18.726   5.612
  168    HE1  HIS  23           HE1      HIS  23  47.896  22.021   3.863
  169    H    TYR  24           HN       TYR  24  49.381  23.140   9.377
  170    HA   TYR  24           HA       TYR  24  47.465  24.595   7.744
  171    HB2  TYR  24           HB2      TYR  24  46.035  23.820   9.688
  172    HB3  TYR  24           HB1      TYR  24  47.079  24.786  10.757
  173    HD1  TYR  24           HD1      TYR  24  46.732  27.138  10.982
  174    HD2  TYR  24           HD2      TYR  24  44.892  25.006   7.711
  175    HE1  TYR  24           HE1      TYR  24  45.432  29.178  10.384
  176    HE2  TYR  24           HE2      TYR  24  43.591  27.045   7.115
  177    HH   TYR  24           HH       TYR  24  43.875  30.047   9.032
  178    H    LEU  25           HN       LEU  25  48.023  26.738   7.513
  179    HA   LEU  25           HA       LEU  25  50.713  27.424   8.345
  180    HB2  LEU  25           HB2      LEU  25  49.899  28.247   6.230
  181    HB3  LEU  25           HB1      LEU  25  48.481  28.994   6.996
  182    HG   LEU  25           HG       LEU  25  49.855  30.659   8.098
  183   HD11  LEU  25          HD11      LEU  25  51.802  29.463   8.789
  184   HD12  LEU  25          HD12      LEU  25  52.401  30.632   7.589
  185   HD13  LEU  25          HD13      LEU  25  52.164  28.928   7.131
  186   HD21  LEU  25          HD21      LEU  25  50.849  31.792   6.151
  187   HD22  LEU  25          HD22      LEU  25  49.305  31.032   5.695
  188   HD23  LEU  25          HD23      LEU  25  50.845  30.265   5.239
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1  54.505  -4.815  -5.888
    2    H2   GLY   1           HT2      GLY   1  54.912  -4.191  -4.361
    3    H3   GLY   1           HT3      GLY   1  56.106  -4.899  -5.339
    4    HA2  GLY   1           HA1      GLY   1  54.737  -2.812  -6.673
    5    HA3  GLY   1           HA2      GLY   1  55.492  -2.270  -5.161
    6    H    TRP   2           HN       TRP   2  57.443  -1.455  -5.438
    7    HA   TRP   2           HA       TRP   2  59.532  -1.070  -6.365
    8    HB2  TRP   2           HB2      TRP   2  59.975  -3.265  -5.337
    9    HB3  TRP   2           HB1      TRP   2  59.415  -4.081  -6.816
   10    HD1  TRP   2           HD1      TRP   2  61.964  -1.254  -6.016
   11    HE1  TRP   2           HE1      TRP   2  64.118  -1.648  -7.418
   12    HE3  TRP   2           HE3      TRP   2  60.541  -5.494  -8.508
   13    HZ2  TRP   2           HZ2      TRP   2  65.064  -3.559  -9.352
   14    HZ3  TRP   2           HZ3      TRP   2  62.086  -6.587 -10.128
   15    HH2  TRP   2           HH2      TRP   2  64.344  -5.624 -10.551
   16    H    GLY   3           HN       GLY   3  59.714  -3.672  -8.563
   17    HA2  GLY   3           HA1      GLY   3  59.722  -1.848 -10.823
   18    HA3  GLY   3           HA2      GLY   3  59.910  -3.613 -10.877
   19    H    SER   4           HN       SER   4  57.463  -4.252  -9.508
   20    HA   SER   4           HA       SER   4  55.686  -4.263 -11.771
   21    HB2  SER   4           HB2      SER   4  54.980  -4.756  -8.857
   22    HB3  SER   4           HB1      SER   4  54.105  -5.337 -10.290
   23    HG   SER   4           HG       SER   4  56.715  -6.002 -10.437
   24    H    PHE   5           HN       PHE   5  55.600  -1.992 -12.325
   25    HA   PHE   5           HA       PHE   5  54.500   0.043 -12.372
   26    HB2  PHE   5           HB2      PHE   5  52.478  -1.114 -10.424
   27    HB3  PHE   5           HB1      PHE   5  52.228   0.115 -11.687
   28    HD1  PHE   5           HD1      PHE   5  52.368  -0.541 -14.119
   29    HD2  PHE   5           HD2      PHE   5  52.395  -3.464 -10.942
   30    HE1  PHE   5           HE1      PHE   5  51.803  -2.330 -15.759
   31    HE2  PHE   5           HE2      PHE   5  51.827  -5.252 -12.584
   32    HZ   PHE   5           HZ       PHE   5  51.468  -4.672 -14.980
   33    H    PHE   6           HN       PHE   6  54.524   2.002 -11.328
   34    HA   PHE   6           HA       PHE   6  56.009   2.065  -8.815
   35    HB2  PHE   6           HB2      PHE   6  56.291   3.738 -10.652
   36    HB3  PHE   6           HB1      PHE   6  54.649   4.335 -10.319
   37    HD1  PHE   6           HD1      PHE   6  58.054   3.862  -8.842
   38    HD2  PHE   6           HD2      PHE   6  54.208   5.782  -8.449
   39    HE1  PHE   6           HE1      PHE   6  58.952   5.287  -7.006
   40    HE2  PHE   6           HE2      PHE   6  55.106   7.206  -6.613
   41    HZ   PHE   6           HZ       PHE   6  57.470   6.938  -5.872
   42    H    LYS   7           HN       LYS   7  52.644   2.474  -9.829
   43    HA   LYS   7           HA       LYS   7  50.720   2.844  -8.593
   44    HB2  LYS   7           HB2      LYS   7  51.699   0.598  -7.684
   45    HB3  LYS   7           HB1      LYS   7  52.142   1.542  -6.246
   46    HG2  LYS   7           HG2      LYS   7  50.011   0.810  -5.609
   47    HG3  LYS   7           HG1      LYS   7  49.582   2.350  -6.385
   48    HD2  LYS   7           HD2      LYS   7  49.178   1.080  -8.533
   49    HD3  LYS   7           HD1      LYS   7  49.464  -0.431  -7.639
   50    HE2  LYS   7           HE2      LYS   7  47.365   1.633  -6.853
   51    HE3  LYS   7           HE1      LYS   7  47.023   0.196  -7.845
   52    HZ1  LYS   7           HZ1      LYS   7  46.609  -0.651  -5.796
   53    HZ2  LYS   7           HZ2      LYS   7  47.692   0.389  -5.000
   54    HZ3  LYS   7           HZ3      LYS   7  48.275  -0.963  -5.848
   55    H    LYS   8           HN       LYS   8  51.099   2.934  -5.462
   56    HA   LYS   8           HA       LYS   8  52.501   5.386  -4.919
   57    HB2  LYS   8           HB2      LYS   8  50.462   6.815  -4.490
   58    HB3  LYS   8           HB1      LYS   8  50.789   6.499  -6.211
   59    HG2  LYS   8           HG2      LYS   8  49.110   4.708  -6.237
   60    HG3  LYS   8           HG1      LYS   8  48.825   4.919  -4.492
   61    HD2  LYS   8           HD2      LYS   8  48.108   7.274  -4.920
   62    HD3  LYS   8           HD1      LYS   8  48.319   6.998  -6.666
   63    HE2  LYS   8           HE2      LYS   8  46.414   5.492  -4.820
   64    HE3  LYS   8           HE1      LYS   8  45.958   6.691  -6.054
   65    HZ1  LYS   8           HZ1      LYS   8  47.403   5.024  -7.526
   66    HZ2  LYS   8           HZ2      LYS   8  45.731   4.833  -7.294
   67    HZ3  LYS   8           HZ3      LYS   8  46.829   3.922  -6.371
   68    H    ALA   9           HN       ALA   9  52.356   6.021  -2.717
   69    HA   ALA   9           HA       ALA   9  51.761   3.804  -0.945
   70    HB1  ALA   9           HB1      ALA   9  52.487   6.707  -0.443
   71    HB2  ALA   9           HB2      ALA   9  53.568   5.295  -0.399
   72    HB3  ALA   9           HB3      ALA   9  52.309   5.492   0.844
   73    H    ALA  10           HN       ALA  10  50.387   4.067   1.035
   74    HA   ALA  10           HA       ALA  10  47.676   4.582   0.234
   75    HB1  ALA  10           HB1      ALA  10  48.186   2.968   1.968
   76    HB2  ALA  10           HB2      ALA  10  47.179   4.262   2.662
   77    HB3  ALA  10           HB3      ALA  10  48.932   4.230   2.976
   78    H    HIS  11           HN       HIS  11  46.174   6.061   1.408
   79    HA   HIS  11           HA       HIS  11  47.211   8.790   1.213
   80    HB2  HIS  11           HB2      HIS  11  44.513   7.670   2.066
   81    HB3  HIS  11           HB1      HIS  11  44.870   9.404   1.875
   82    HD1  HIS  11           HD1      HIS  11  43.723  10.077  -0.250
   83    HD2  HIS  11           HD2      HIS  11  45.751   6.415  -0.635
   84    HE1  HIS  11           HE1      HIS  11  43.608   9.398  -2.710
   85    H    ALA  12           HN       ALA  12  48.487   7.152   3.248
   86    HA   ALA  12           HA       ALA  12  47.439   7.776   5.852
   87    HB1  ALA  12           HB1      ALA  12  49.066   5.987   5.478
   88    HB2  ALA  12           HB2      ALA  12  49.703   7.171   6.643
   89    HB3  ALA  12           HB3      ALA  12  50.281   7.178   4.959
   90    H    GLY  13           HN       GLY  13  49.054   9.673   3.467
   91    HA2  GLY  13           HA1      GLY  13  48.806  12.063   5.033
   92    HA3  GLY  13           HA2      GLY  13  50.491  11.507   5.064
   93    H    LYS  14           HN       LYS  14  47.886  12.828   3.132
   94    HA   LYS  14           HA       LYS  14  49.744  14.089   1.326
   95    HB2  LYS  14           HB2      LYS  14  49.965  11.834   0.386
   96    HB3  LYS  14           HB1      LYS  14  48.198  11.708   0.221
   97    HG2  LYS  14           HG2      LYS  14  48.141  13.489  -1.412
   98    HG3  LYS  14           HG1      LYS  14  49.843  13.907  -1.100
   99    HD2  LYS  14           HD2      LYS  14  50.560  11.716  -1.975
  100    HD3  LYS  14           HD1      LYS  14  48.862  11.252  -2.242
  101    HE2  LYS  14           HE2      LYS  14  48.584  13.107  -3.841
  102    HE3  LYS  14           HE1      LYS  14  50.260  13.629  -3.548
  103    HZ1  LYS  14           HZ1      LYS  14  50.054  10.845  -4.221
  104    HZ2  LYS  14           HZ2      LYS  14  51.040  12.054  -4.893
  105    HZ3  LYS  14           HZ3      LYS  14  49.446  11.849  -5.445
  106    H    HIS  15           HN       HIS  15  46.682  12.676   0.240
  107    HA   HIS  15           HA       HIS  15  45.569  15.419  -0.047
  108    HB2  HIS  15           HB2      HIS  15  45.412  13.786  -1.913
  109    HB3  HIS  15           HB1      HIS  15  44.447  12.711  -0.875
  110    HD1  HIS  15           HD1      HIS  15  42.116  12.879  -1.795
  111    HD2  HIS  15           HD2      HIS  15  43.962  16.641  -1.448
  112    HE1  HIS  15           HE1      HIS  15  40.347  14.646  -2.318
  113    H    ALA  16           HN       ALA  16  45.539  12.846   2.195
  114    HA   ALA  16           HA       ALA  16  42.858  12.888   3.131
  115    HB1  ALA  16           HB1      ALA  16  45.421  12.523   4.721
  116    HB2  ALA  16           HB2      ALA  16  44.548  11.245   3.843
  117    HB3  ALA  16           HB3      ALA  16  43.789  12.042   5.242
  118    H    GLY  17           HN       GLY  17  45.645  14.974   3.922
  119    HA2  GLY  17           HA1      GLY  17  45.599  17.169   4.711
  120    HA3  GLY  17           HA2      GLY  17  43.825  17.114   4.741
  121    H    LYS  18           HN       LYS  18  43.842  14.603   6.353
  122    HA   LYS  18           HA       LYS  18  43.627  15.784   8.930
  123    HB2  LYS  18           HB2      LYS  18  42.639  13.576   8.138
  124    HB3  LYS  18           HB1      LYS  18  44.252  12.861   8.375
  125    HG2  LYS  18           HG2      LYS  18  44.228  13.487  10.743
  126    HG3  LYS  18           HG1      LYS  18  42.670  14.323  10.535
  127    HD2  LYS  18           HD2      LYS  18  41.549  12.235  10.000
  128    HD3  LYS  18           HD1      LYS  18  43.097  11.357   9.975
  129    HE2  LYS  18           HE2      LYS  18  41.927  10.976  12.114
  130    HE3  LYS  18           HE1      LYS  18  43.428  11.895  12.381
  131    HZ1  LYS  18           HZ1      LYS  18  40.653  12.961  12.267
  132    HZ2  LYS  18           HZ2      LYS  18  42.039  13.943  12.275
  133    HZ3  LYS  18           HZ3      LYS  18  41.697  12.943  13.604
  134    H    ALA  19           HN       ALA  19  46.389  14.785   7.125
  135    HA   ALA  19           HA       ALA  19  48.173  15.708   9.238
  136    HB1  ALA  19           HB1      ALA  19  49.415  13.560   9.458
  137    HB2  ALA  19           HB2      ALA  19  48.125  12.753   8.535
  138    HB3  ALA  19           HB3      ALA  19  47.766  13.478  10.120
  139    H    ALA  20           HN       ALA  20  47.932  16.822   6.862
  140    HA   ALA  20           HA       ALA  20  50.547  16.330   5.646
  141    HB1  ALA  20           HB1      ALA  20  48.051  15.817   3.988
  142    HB2  ALA  20           HB2      ALA  20  49.183  14.567   4.558
  143    HB3  ALA  20           HB3      ALA  20  49.733  15.806   3.403
  144    H    LEU  21           HN       LEU  21  47.404  17.600   4.447
  145    HA   LEU  21           HA       LEU  21  48.695  20.084   3.586
  146    HB2  LEU  21           HB2      LEU  21  45.710  19.559   3.804
  147    HB3  LEU  21           HB1      LEU  21  46.559  20.675   2.707
  148    HG   LEU  21           HG       LEU  21  46.698  17.627   2.662
  149   HD11  LEU  21          HD11      LEU  21  45.568  19.660   0.686
  150   HD12  LEU  21          HD12      LEU  21  44.606  18.611   1.754
  151   HD13  LEU  21          HD13      LEU  21  45.600  17.894   0.462
  152   HD21  LEU  21          HD21      LEU  21  47.986  18.152   0.461
  153   HD22  LEU  21          HD22      LEU  21  48.865  18.366   1.990
  154   HD23  LEU  21          HD23      LEU  21  48.213  19.784   1.135
  155    H    THR  22           HN       THR  22  48.935  19.484   6.426
  156    HA   THR  22           HA       THR  22  48.661  20.530   8.479
  157    HB   THR  22           HB       THR  22  48.799  22.920   8.491
  158    HG1  THR  22           HG1      THR  22  48.358  23.802   6.154
  159   HG21  THR  22          HG21      THR  22  50.684  21.630   7.359
  160   HG22  THR  22          HG22      THR  22  50.563  23.349   6.911
  161   HG23  THR  22          HG23      THR  22  49.957  22.094   5.802
  162    H    HIS  23           HN       HIS  23  46.509  19.123   8.170
  163    HA   HIS  23           HA       HIS  23  44.255  18.951   8.675
  164    HB2  HIS  23           HB2      HIS  23  44.999  20.028  10.763
  165    HB3  HIS  23           HB1      HIS  23  44.764  21.631  10.030
  166    HD1  HIS  23           HD1      HIS  23  42.259  19.078   9.031
  167    HD2  HIS  23           HD2      HIS  23  42.674  21.910  12.111
  168    HE1  HIS  23           HE1      HIS  23  39.951  19.414  10.072
  169    H    TYR  24           HN       TYR  24  44.225  22.512   8.538
  170    HA   TYR  24           HA       TYR  24  43.140  22.590   5.835
  171    HB2  TYR  24           HB2      TYR  24  41.180  21.698   7.120
  172    HB3  TYR  24           HB1      TYR  24  41.219  23.169   8.124
  173    HD1  TYR  24           HD1      TYR  24  40.517  25.326   7.235
  174    HD2  TYR  24           HD2      TYR  24  40.623  21.828   4.707
  175    HE1  TYR  24           HE1      TYR  24  39.212  26.543   5.495
  176    HE2  TYR  24           HE2      TYR  24  39.319  23.046   2.968
  177    HH   TYR  24           HH       TYR  24  37.834  24.837   2.760
  178    H    LEU  25           HN       LEU  25  44.389  23.932   8.692
  179    HA   LEU  25           HA       LEU  25  43.722  26.722   8.140
  180    HB2  LEU  25           HB2      LEU  25  46.042  25.736   9.832
  181    HB3  LEU  25           HB1      LEU  25  45.096  27.234  10.006
  182    HG   LEU  25           HG       LEU  25  44.096  24.389  10.474
  183   HD11  LEU  25          HD11      LEU  25  45.581  25.397  12.240
  184   HD12  LEU  25          HD12      LEU  25  43.922  25.088  12.806
  185   HD13  LEU  25          HD13      LEU  25  44.426  26.743  12.387
  186   HD21  LEU  25          HD21      LEU  25  42.038  25.703  11.346
  187   HD22  LEU  25          HD22      LEU  25  42.235  25.602   9.582
  188   HD23  LEU  25          HD23      LEU  25  42.689  27.093  10.443
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1  56.826   6.030  -9.308
    2    H2   GLY   1           HT2      GLY   1  56.610   5.055 -10.684
    3    H3   GLY   1           HT3      GLY   1  58.156   5.242 -10.003
    4    HA2  GLY   1           HA1      GLY   1  55.873   4.041  -8.592
    5    HA3  GLY   1           HA2      GLY   1  57.058   3.107  -9.526
    6    H    TRP   2           HN       TRP   2  57.820   6.029  -7.689
    7    HA   TRP   2           HA       TRP   2  60.066   4.955  -6.392
    8    HB2  TRP   2           HB2      TRP   2  58.151   7.111  -5.415
    9    HB3  TRP   2           HB1      TRP   2  59.772   6.807  -4.745
   10    HD1  TRP   2           HD1      TRP   2  58.004   8.065  -7.902
   11    HE1  TRP   2           HE1      TRP   2  59.697   9.365  -9.389
   12    HE3  TRP   2           HE3      TRP   2  62.296   7.066  -5.298
   13    HZ2  TRP   2           HZ2      TRP   2  62.530   9.881  -9.414
   14    HZ3  TRP   2           HZ3      TRP   2  64.483   7.971  -6.072
   15    HH2  TRP   2           HH2      TRP   2  64.603   9.377  -8.125
   16    H    GLY   3           HN       GLY   3  56.871   5.531  -4.836
   17    HA2  GLY   3           HA1      GLY   3  57.522   3.946  -2.531
   18    HA3  GLY   3           HA2      GLY   3  55.903   4.491  -3.010
   19    H    SER   4           HN       SER   4  56.528   3.098  -5.722
   20    HA   SER   4           HA       SER   4  55.877   1.072  -6.650
   21    HB2  SER   4           HB2      SER   4  58.054   0.345  -5.815
   22    HB3  SER   4           HB1      SER   4  57.364   0.025  -4.208
   23    HG   SER   4           HG       SER   4  57.485  -1.874  -5.470
   24    H    PHE   5           HN       PHE   5  54.880  -1.232  -5.978
   25    HA   PHE   5           HA       PHE   5  52.888  -2.213  -5.294
   26    HB2  PHE   5           HB2      PHE   5  53.549  -0.725  -2.720
   27    HB3  PHE   5           HB1      PHE   5  52.403  -2.077  -2.875
   28    HD1  PHE   5           HD1      PHE   5  55.913  -1.125  -2.567
   29    HD2  PHE   5           HD2      PHE   5  53.246  -4.336  -3.670
   30    HE1  PHE   5           HE1      PHE   5  57.783  -2.756  -2.340
   31    HE2  PHE   5           HE2      PHE   5  55.117  -5.966  -3.443
   32    HZ   PHE   5           HZ       PHE   5  57.399  -5.167  -2.836
   33    H    PHE   6           HN       PHE   6  52.769   0.441  -6.586
   34    HA   PHE   6           HA       PHE   6  50.932   2.207  -5.402
   35    HB2  PHE   6           HB2      PHE   6  52.105   2.620  -7.547
   36    HB3  PHE   6           HB1      PHE   6  51.079   1.396  -8.333
   37    HD1  PHE   6           HD1      PHE   6  51.148   4.757  -6.760
   38    HD2  PHE   6           HD2      PHE   6  48.718   1.823  -8.789
   39    HE1  PHE   6           HE1      PHE   6  49.374   6.471  -7.113
   40    HE2  PHE   6           HE2      PHE   6  46.944   3.538  -9.143
   41    HZ   PHE   6           HZ       PHE   6  47.284   5.868  -8.326
   42    H    LYS   7           HN       LYS   7  50.453  -1.040  -6.471
   43    HA   LYS   7           HA       LYS   7  47.647  -0.906  -7.092
   44    HB2  LYS   7           HB2      LYS   7  49.154  -2.819  -7.663
   45    HB3  LYS   7           HB1      LYS   7  49.218  -3.243  -5.935
   46    HG2  LYS   7           HG2      LYS   7  46.807  -3.608  -5.880
   47    HG3  LYS   7           HG1      LYS   7  46.644  -3.030  -7.556
   48    HD2  LYS   7           HD2      LYS   7  48.043  -4.902  -8.355
   49    HD3  LYS   7           HD1      LYS   7  48.247  -5.475  -6.681
   50    HE2  LYS   7           HE2      LYS   7  46.475  -6.783  -7.706
   51    HE3  LYS   7           HE1      LYS   7  45.731  -5.680  -6.523
   52    HZ1  LYS   7           HZ1      LYS   7  44.852  -5.899  -8.997
   53    HZ2  LYS   7           HZ2      LYS   7  46.034  -4.708  -9.268
   54    HZ3  LYS   7           HZ3      LYS   7  44.788  -4.433  -8.147
   55    H    LYS   8           HN       LYS   8  49.120  -2.448  -4.204
   56    HA   LYS   8           HA       LYS   8  46.764  -2.481  -2.657
   57    HB2  LYS   8           HB2      LYS   8  48.953  -3.646  -2.151
   58    HB3  LYS   8           HB1      LYS   8  49.574  -2.084  -1.568
   59    HG2  LYS   8           HG2      LYS   8  47.699  -1.962   0.066
   60    HG3  LYS   8           HG1      LYS   8  47.124  -3.551  -0.496
   61    HD2  LYS   8           HD2      LYS   8  49.206  -4.612   0.211
   62    HD3  LYS   8           HD1      LYS   8  49.902  -3.033   0.646
   63    HE2  LYS   8           HE2      LYS   8  48.183  -2.719   2.377
   64    HE3  LYS   8           HE1      LYS   8  47.414  -4.258   1.916
   65    HZ1  LYS   8           HZ1      LYS   8  49.481  -5.398   2.492
   66    HZ2  LYS   8           HZ2      LYS   8  48.855  -4.550   3.825
   67    HZ3  LYS   8           HZ3      LYS   8  50.182  -3.929   2.966
   68    H    ALA   9           HN       ALA   9  49.434  -0.074  -2.549
   69    HA   ALA   9           HA       ALA   9  48.243   1.667  -0.670
   70    HB1  ALA   9           HB1      ALA   9  50.566   1.874  -1.409
   71    HB2  ALA   9           HB2      ALA   9  49.698   3.409  -1.657
   72    HB3  ALA   9           HB3      ALA   9  50.024   2.335  -3.039
   73    H    ALA  10           HN       ALA  10  47.627   4.031  -1.302
   74    HA   ALA  10           HA       ALA  10  46.127   4.353  -3.771
   75    HB1  ALA  10           HB1      ALA  10  43.895   4.374  -2.884
   76    HB2  ALA  10           HB2      ALA  10  44.491   4.117  -1.227
   77    HB3  ALA  10           HB3      ALA  10  44.633   2.819  -2.436
   78    H    HIS  11           HN       HIS  11  46.509   5.338  -0.355
   79    HA   HIS  11           HA       HIS  11  45.604   8.000  -0.583
   80    HB2  HIS  11           HB2      HIS  11  47.985   7.084   1.071
   81    HB3  HIS  11           HB1      HIS  11  46.904   8.460   1.397
   82    HD1  HIS  11           HD1      HIS  11  44.172   7.058   0.789
   83    HD2  HIS  11           HD2      HIS  11  47.200   5.484   3.245
   84    HE1  HIS  11           HE1      HIS  11  43.080   5.355   2.349
   85    H    ALA  12           HN       ALA  12  46.281   9.745  -1.639
   86    HA   ALA  12           HA       ALA  12  48.476   9.654  -3.455
   87    HB1  ALA  12           HB1      ALA  12  48.067  12.000  -3.798
   88    HB2  ALA  12           HB2      ALA  12  47.241  12.138  -2.227
   89    HB3  ALA  12           HB3      ALA  12  46.496  11.205  -3.547
   90    H    GLY  13           HN       GLY  13  48.524   9.792  -0.103
   91    HA2  GLY  13           HA1      GLY  13  51.375  10.254  -0.055
   92    HA3  GLY  13           HA2      GLY  13  50.494  11.672   0.546
   93    H    LYS  14           HN       LYS  14  48.962  11.351   2.328
   94    HA   LYS  14           HA       LYS  14  49.428   8.896   3.961
   95    HB2  LYS  14           HB2      LYS  14  50.098  11.730   4.848
   96    HB3  LYS  14           HB1      LYS  14  49.872  10.373   5.978
   97    HG2  LYS  14           HG2      LYS  14  51.658   9.109   4.742
   98    HG3  LYS  14           HG1      LYS  14  51.934  10.551   3.738
   99    HD2  LYS  14           HD2      LYS  14  52.339  11.853   5.881
  100    HD3  LYS  14           HD1      LYS  14  52.302  10.300   6.750
  101    HE2  LYS  14           HE2      LYS  14  54.179   9.461   5.422
  102    HE3  LYS  14           HE1      LYS  14  54.174  10.939   4.430
  103    HZ1  LYS  14           HZ1      LYS  14  55.309  12.035   5.980
  104    HZ2  LYS  14           HZ2      LYS  14  55.604  10.536   6.726
  105    HZ3  LYS  14           HZ3      LYS  14  54.303  11.502   7.237
  106    H    HIS  15           HN       HIS  15  48.334  11.778   5.530
  107    HA   HIS  15           HA       HIS  15  45.669  10.593   5.886
  108    HB2  HIS  15           HB2      HIS  15  46.858  13.243   6.799
  109    HB3  HIS  15           HB1      HIS  15  45.273  12.604   7.297
  110    HD1  HIS  15           HD1      HIS  15  45.417  10.038   8.377
  111    HD2  HIS  15           HD2      HIS  15  48.865  12.442   8.511
  112    HE1  HIS  15           HE1      HIS  15  46.983   9.029  10.127
  113    H    ALA  16           HN       ALA  16  45.912  10.923   3.219
  114    HA   ALA  16           HA       ALA  16  44.962  11.969   1.377
  115    HB1  ALA  16           HB1      ALA  16  42.962  12.855   3.485
  116    HB2  ALA  16           HB2      ALA  16  42.918  11.329   2.570
  117    HB3  ALA  16           HB3      ALA  16  42.696  12.880   1.726
  118    H    GLY  17           HN       GLY  17  46.754  13.555   3.401
  119    HA2  GLY  17           HA1      GLY  17  46.431  16.145   1.959
  120    HA3  GLY  17           HA2      GLY  17  46.367  16.166   3.733
  121    H    LYS  18           HN       LYS  18  48.347  13.706   2.387
  122    HA   LYS  18           HA       LYS  18  50.644  13.403   2.468
  123    HB2  LYS  18           HB2      LYS  18  50.834  16.360   1.791
  124    HB3  LYS  18           HB1      LYS  18  51.997  15.071   1.399
  125    HG2  LYS  18           HG2      LYS  18  50.260  13.968  -0.018
  126    HG3  LYS  18           HG1      LYS  18  49.154  15.322   0.324
  127    HD2  LYS  18           HD2      LYS  18  50.785  16.904  -0.672
  128    HD3  LYS  18           HD1      LYS  18  51.879  15.546  -1.030
  129    HE2  LYS  18           HE2      LYS  18  50.622  16.041  -3.047
  130    HE3  LYS  18           HE1      LYS  18  50.018  14.502  -2.387
  131    HZ1  LYS  18           HZ1      LYS  18  48.113  15.733  -2.865
  132    HZ2  LYS  18           HZ2      LYS  18  48.763  17.184  -2.266
  133    HZ3  LYS  18           HZ3      LYS  18  48.311  15.945  -1.194
  134    H    ALA  19           HN       ALA  19  49.021  14.957   4.752
  135    HA   ALA  19           HA       ALA  19  51.177  14.847   6.656
  136    HB1  ALA  19           HB1      ALA  19  51.193  17.309   7.211
  137    HB2  ALA  19           HB2      ALA  19  50.340  17.594   5.674
  138    HB3  ALA  19           HB3      ALA  19  51.973  16.888   5.669
  139    H    ALA  20           HN       ALA  20  48.223  16.801   6.000
  140    HA   ALA  20           HA       ALA  20  46.649  15.337   7.919
  141    HB1  ALA  20           HB1      ALA  20  47.994  16.400   9.608
  142    HB2  ALA  20           HB2      ALA  20  46.411  17.212   9.584
  143    HB3  ALA  20           HB3      ALA  20  47.821  17.986   8.822
  144    H    LEU  21           HN       LEU  21  45.562  15.514   5.776
  145    HA   LEU  21           HA       LEU  21  43.895  16.399   4.443
  146    HB2  LEU  21           HB2      LEU  21  43.294  17.784   7.082
  147    HB3  LEU  21           HB1      LEU  21  42.278  18.014   5.645
  148    HG   LEU  21           HG       LEU  21  41.991  15.513   5.509
  149   HD11  LEU  21          HD11      LEU  21  43.868  14.622   6.676
  150   HD12  LEU  21          HD12      LEU  21  42.498  14.319   7.764
  151   HD13  LEU  21          HD13      LEU  21  43.605  15.673   8.086
  152   HD21  LEU  21          HD21      LEU  21  40.366  15.412   7.343
  153   HD22  LEU  21          HD22      LEU  21  40.342  17.038   6.620
  154   HD23  LEU  21          HD23      LEU  21  41.175  16.764   8.170
  155    H    THR  22           HN       THR  22  43.412  19.456   5.816
  156    HA   THR  22           HA       THR  22  44.399  20.786   3.446
  157    HB   THR  22           HB       THR  22  43.723  22.850   4.533
  158    HG1  THR  22           HG1      THR  22  42.887  22.306   6.851
  159   HG21  THR  22          HG21      THR  22  41.411  22.329   5.046
  160   HG22  THR  22          HG22      THR  22  41.828  20.642   5.431
  161   HG23  THR  22          HG23      THR  22  41.949  21.230   3.755
  162    H    HIS  23           HN       HIS  23  45.922  19.711   6.308
  163    HA   HIS  23           HA       HIS  23  48.047  20.059   7.164
  164    HB2  HIS  23           HB2      HIS  23  48.602  19.513   4.744
  165    HB3  HIS  23           HB1      HIS  23  48.705  21.265   4.449
  166    HD1  HIS  23           HD1      HIS  23  51.296  20.006   3.944
  167    HD2  HIS  23           HD2      HIS  23  50.125  21.025   7.853
  168    HE1  HIS  23           HE1      HIS  23  53.417  20.147   5.362
  169    H    TYR  24           HN       TYR  24  47.988  21.530   8.754
  170    HA   TYR  24           HA       TYR  24  47.183  24.197   8.619
  171    HB2  TYR  24           HB2      TYR  24  49.403  23.014  10.334
  172    HB3  TYR  24           HB1      TYR  24  48.585  24.565  10.635
  173    HD1  TYR  24           HD1      TYR  24  46.210  24.638  11.309
  174    HD2  TYR  24           HD2      TYR  24  48.261  20.888  10.707
  175    HE1  TYR  24           HE1      TYR  24  44.373  23.442  12.495
  176    HE2  TYR  24           HE2      TYR  24  46.423  19.692  11.892
  177    HH   TYR  24           HH       TYR  24  44.241  19.916  12.598
  178    H    LEU  25           HN       LEU  25  50.586  23.034   8.424
  179    HA   LEU  25           HA       LEU  25  51.558  25.667   7.649
  180    HB2  LEU  25           HB2      LEU  25  52.763  22.878   7.726
  181    HB3  LEU  25           HB1      LEU  25  53.664  24.256   7.053
  182    HG   LEU  25           HG       LEU  25  53.338  25.488   9.205
  183   HD11  LEU  25          HD11      LEU  25  51.926  22.896   9.951
  184   HD12  LEU  25          HD12      LEU  25  51.347  24.570  10.133
  185   HD13  LEU  25          HD13      LEU  25  52.639  23.958  11.189
  186   HD21  LEU  25          HD21      LEU  25  54.577  22.708   9.457
  187   HD22  LEU  25          HD22      LEU  25  54.918  24.090  10.525
  188   HD23  LEU  25          HD23      LEU  25  55.384  24.156   8.809
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1  53.742  -3.916  -4.138
    2    H2   GLY   1           HT2      GLY   1  53.592  -4.818  -5.571
    3    H3   GLY   1           HT3      GLY   1  52.768  -3.342  -5.400
    4    HA2  GLY   1           HA1      GLY   1  54.439  -2.518  -6.546
    5    HA3  GLY   1           HA2      GLY   1  55.230  -2.535  -4.958
    6    H    TRP   2           HN       TRP   2  56.798  -2.572  -7.167
    7    HA   TRP   2           HA       TRP   2  58.130  -5.190  -6.865
    8    HB2  TRP   2           HB2      TRP   2  57.257  -4.260  -9.630
    9    HB3  TRP   2           HB1      TRP   2  58.150  -5.745  -9.225
   10    HD1  TRP   2           HD1      TRP   2  54.682  -4.256  -9.312
   11    HE1  TRP   2           HE1      TRP   2  52.911  -6.052  -8.677
   12    HE3  TRP   2           HE3      TRP   2  57.829  -7.956  -7.692
   13    HZ2  TRP   2           HZ2      TRP   2  52.897  -8.727  -7.611
   14    HZ3  TRP   2           HZ3      TRP   2  56.915 -10.122  -6.872
   15    HH2  TRP   2           HH2      TRP   2  54.455 -10.510  -6.829
   16    H    GLY   3           HN       GLY   3  57.985  -1.853  -7.700
   17    HA2  GLY   3           HA1      GLY   3  60.677  -1.316  -7.229
   18    HA3  GLY   3           HA2      GLY   3  60.588  -1.671  -8.965
   19    H    SER   4           HN       SER   4  58.989  -0.435 -10.249
   20    HA   SER   4           HA       SER   4  59.330   2.383  -9.743
   21    HB2  SER   4           HB2      SER   4  59.075   1.334 -12.009
   22    HB3  SER   4           HB1      SER   4  57.364   1.028 -11.632
   23    HG   SER   4           HG       SER   4  57.751   3.524 -11.020
   24    H    PHE   5           HN       PHE   5  57.439   3.936  -9.790
   25    HA   PHE   5           HA       PHE   5  55.764   3.360  -7.471
   26    HB2  PHE   5           HB2      PHE   5  54.860   5.624  -7.881
   27    HB3  PHE   5           HB1      PHE   5  56.641   5.620  -7.915
   28    HD1  PHE   5           HD1      PHE   5  53.556   5.903  -9.943
   29    HD2  PHE   5           HD2      PHE   5  57.871   5.897 -10.021
   30    HE1  PHE   5           HE1      PHE   5  53.516   6.823 -12.260
   31    HE2  PHE   5           HE2      PHE   5  57.831   6.817 -12.336
   32    HZ   PHE   5           HZ       PHE   5  55.652   7.222 -13.477
   33    H    PHE   6           HN       PHE   6  53.410   3.602  -7.456
   34    HA   PHE   6           HA       PHE   6  51.969   3.209  -9.989
   35    HB2  PHE   6           HB2      PHE   6  52.203   0.953  -7.958
   36    HB3  PHE   6           HB1      PHE   6  50.969   1.023  -9.239
   37    HD1  PHE   6           HD1      PHE   6  54.336   0.026  -8.442
   38    HD2  PHE   6           HD2      PHE   6  51.821   1.369 -11.683
   39    HE1  PHE   6           HE1      PHE   6  55.961  -0.902 -10.086
   40    HE2  PHE   6           HE2      PHE   6  53.445   0.440 -13.327
   41    HZ   PHE   6           HZ       PHE   6  55.553  -0.623 -12.530
   42    H    LYS   7           HN       LYS   7  50.033   4.130  -9.825
   43    HA   LYS   7           HA       LYS   7  49.182   5.228  -7.272
   44    HB2  LYS   7           HB2      LYS   7  47.712   5.021  -9.930
   45    HB3  LYS   7           HB1      LYS   7  47.228   6.034  -8.547
   46    HG2  LYS   7           HG2      LYS   7  49.261   7.348  -8.707
   47    HG3  LYS   7           HG1      LYS   7  49.932   6.246  -9.934
   48    HD2  LYS   7           HD2      LYS   7  47.999   6.836 -11.438
   49    HD3  LYS   7           HD1      LYS   7  47.491   8.047 -10.236
   50    HE2  LYS   7           HE2      LYS   7  49.588   9.256 -10.478
   51    HE3  LYS   7           HE1      LYS   7  50.250   7.981 -11.530
   52    HZ1  LYS   7           HZ1      LYS   7  47.757   9.434 -12.213
   53    HZ2  LYS   7           HZ2      LYS   7  48.772   8.531 -13.234
   54    HZ3  LYS   7           HZ3      LYS   7  49.283  10.040 -12.641
   55    H    LYS   8           HN       LYS   8  48.701   3.702  -5.764
   56    HA   LYS   8           HA       LYS   8  46.132   2.350  -6.057
   57    HB2  LYS   8           HB2      LYS   8  47.708   0.805  -7.285
   58    HB3  LYS   8           HB1      LYS   8  48.600   0.594  -5.759
   59    HG2  LYS   8           HG2      LYS   8  46.516  -0.216  -4.666
   60    HG3  LYS   8           HG1      LYS   8  45.650  -0.041  -6.212
   61    HD2  LYS   8           HD2      LYS   8  47.308  -1.623  -7.255
   62    HD3  LYS   8           HD1      LYS   8  48.016  -1.877  -5.641
   63    HE2  LYS   8           HE2      LYS   8  46.443  -3.671  -6.004
   64    HE3  LYS   8           HE1      LYS   8  45.690  -2.549  -4.844
   65    HZ1  LYS   8           HZ1      LYS   8  44.090  -2.034  -6.292
   66    HZ2  LYS   8           HZ2      LYS   8  44.571  -3.414  -7.162
   67    HZ3  LYS   8           HZ3      LYS   8  45.164  -1.882  -7.596
   68    H    ALA   9           HN       ALA   9  49.176   2.869  -4.333
   69    HA   ALA   9           HA       ALA   9  47.760   3.343  -1.843
   70    HB1  ALA   9           HB1      ALA   9  49.550   0.894  -1.897
   71    HB2  ALA   9           HB2      ALA   9  47.774   0.813  -1.996
   72    HB3  ALA   9           HB3      ALA   9  48.557   1.493  -0.549
   73    H    ALA  10           HN       ALA  10  48.846   5.192  -1.482
   74    HA   ALA  10           HA       ALA  10  51.651   4.986  -0.676
   75    HB1  ALA  10           HB1      ALA  10  52.471   6.679  -2.302
   76    HB2  ALA  10           HB2      ALA  10  50.913   6.575  -3.157
   77    HB3  ALA  10           HB3      ALA  10  51.985   5.156  -3.083
   78    H    HIS  11           HN       HIS  11  48.726   6.832  -1.320
   79    HA   HIS  11           HA       HIS  11  49.631   9.196   0.161
   80    HB2  HIS  11           HB2      HIS  11  46.864   8.324  -0.760
   81    HB3  HIS  11           HB1      HIS  11  47.271   9.920  -0.087
   82    HD1  HIS  11           HD1      HIS  11  50.218   9.216  -1.826
   83    HD2  HIS  11           HD2      HIS  11  46.335  10.200  -3.110
   84    HE1  HIS  11           HE1      HIS  11  50.406  10.091  -4.219
   85    H    ALA  12           HN       ALA  12  50.188   7.126   1.801
   86    HA   ALA  12           HA       ALA  12  48.187   6.185   3.536
   87    HB1  ALA  12           HB1      ALA  12  50.015   6.061   5.242
   88    HB2  ALA  12           HB2      ALA  12  51.054   6.985   4.132
   89    HB3  ALA  12           HB3      ALA  12  50.461   5.373   3.664
   90    H    GLY  13           HN       GLY  13  47.991   6.836   5.917
   91    HA2  GLY  13           HA1      GLY  13  46.889   9.510   5.970
   92    HA3  GLY  13           HA2      GLY  13  47.019   8.390   7.341
   93    H    LYS  14           HN       LYS  14  48.892  10.651   5.305
   94    HA   LYS  14           HA       LYS  14  50.121  11.831   7.662
   95    HB2  LYS  14           HB2      LYS  14  51.423   9.657   7.341
   96    HB3  LYS  14           HB1      LYS  14  52.008  10.336   5.804
   97    HG2  LYS  14           HG2      LYS  14  52.757  12.390   7.164
   98    HG3  LYS  14           HG1      LYS  14  52.454  11.411   8.618
   99    HD2  LYS  14           HD2      LYS  14  54.366  10.729   6.339
  100    HD3  LYS  14           HD1      LYS  14  54.821  11.242   7.981
  101    HE2  LYS  14           HE2      LYS  14  53.537   8.636   7.100
  102    HE3  LYS  14           HE1      LYS  14  55.025   8.879   8.044
  103    HZ1  LYS  14           HZ1      LYS  14  52.262   9.513   8.960
  104    HZ2  LYS  14           HZ2      LYS  14  53.684   9.749   9.860
  105    HZ3  LYS  14           HZ3      LYS  14  53.185   8.176   9.448
  106    H    HIS  15           HN       HIS  15  51.068  11.212   4.243
  107    HA   HIS  15           HA       HIS  15  51.765  14.016   3.851
  108    HB2  HIS  15           HB2      HIS  15  51.377  11.758   1.846
  109    HB3  HIS  15           HB1      HIS  15  52.123  13.337   1.502
  110    HD1  HIS  15           HD1      HIS  15  53.106  10.004   2.178
  111    HD2  HIS  15           HD2      HIS  15  54.330  13.721   3.720
  112    HE1  HIS  15           HE1      HIS  15  55.427   9.678   3.197
  113    H    ALA  16           HN       ALA  16  48.847  12.243   3.828
  114    HA   ALA  16           HA       ALA  16  47.332  14.588   3.031
  115    HB1  ALA  16           HB1      ALA  16  48.070  13.818   0.797
  116    HB2  ALA  16           HB2      ALA  16  46.308  13.671   1.007
  117    HB3  ALA  16           HB3      ALA  16  47.344  12.226   1.118
  118    H    GLY  17           HN       GLY  17  47.197  13.305   5.355
  119    HA2  GLY  17           HA1      GLY  17  45.199  11.153   5.292
  120    HA3  GLY  17           HA2      GLY  17  45.901  11.925   6.727
  121    H    LYS  18           HN       LYS  18  44.436  13.740   4.082
  122    HA   LYS  18           HA       LYS  18  42.685  15.263   4.151
  123    HB2  LYS  18           HB2      LYS  18  41.595  12.877   4.120
  124    HB3  LYS  18           HB1      LYS  18  41.151  13.229   5.805
  125    HG2  LYS  18           HG2      LYS  18  40.102  15.394   4.979
  126    HG3  LYS  18           HG1      LYS  18  40.385  14.821   3.319
  127    HD2  LYS  18           HD2      LYS  18  39.062  12.765   3.834
  128    HD3  LYS  18           HD1      LYS  18  38.720  13.419   5.454
  129    HE2  LYS  18           HE2      LYS  18  36.827  13.962   4.048
  130    HE3  LYS  18           HE1      LYS  18  37.738  15.468   4.314
  131    HZ1  LYS  18           HZ1      LYS  18  38.242  13.733   1.964
  132    HZ2  LYS  18           HZ2      LYS  18  38.658  15.366   2.186
  133    HZ3  LYS  18           HZ3      LYS  18  37.035  14.924   1.945
  134    H    ALA  19           HN       ALA  19  44.648  15.419   6.304
  135    HA   ALA  19           HA       ALA  19  43.193  17.252   8.026
  136    HB1  ALA  19           HB1      ALA  19  43.495  16.098  10.137
  137    HB2  ALA  19           HB2      ALA  19  44.287  14.730   9.318
  138    HB3  ALA  19           HB3      ALA  19  42.561  15.056   9.038
  139    H    ALA  20           HN       ALA  20  46.067  15.355   7.251
  140    HA   ALA  20           HA       ALA  20  47.869  17.011   8.849
  141    HB1  ALA  20           HB1      ALA  20  48.403  15.065   6.576
  142    HB2  ALA  20           HB2      ALA  20  48.408  14.682   8.314
  143    HB3  ALA  20           HB3      ALA  20  49.638  15.778   7.641
  144    H    LEU  21           HN       LEU  21  47.303  16.604   5.320
  145    HA   LEU  21           HA       LEU  21  48.954  18.895   4.656
  146    HB2  LEU  21           HB2      LEU  21  48.181  16.799   3.222
  147    HB3  LEU  21           HB1      LEU  21  46.790  17.826   2.820
  148    HG   LEU  21           HG       LEU  21  49.734  18.535   2.410
  149   HD11  LEU  21          HD11      LEU  21  49.261  18.296   0.047
  150   HD12  LEU  21          HD12      LEU  21  47.526  18.060   0.363
  151   HD13  LEU  21          HD13      LEU  21  48.698  16.815   0.857
  152   HD21  LEU  21          HD21      LEU  21  48.617  20.475   1.079
  153   HD22  LEU  21          HD22      LEU  21  48.623  20.596   2.852
  154   HD23  LEU  21          HD23      LEU  21  47.144  20.086   2.002
  155    H    THR  22           HN       THR  22  45.401  18.350   4.412
  156    HA   THR  22           HA       THR  22  44.627  20.952   3.757
  157    HB   THR  22           HB       THR  22  42.450  20.425   4.586
  158    HG1  THR  22           HG1      THR  22  43.889  18.745   6.346
  159   HG21  THR  22          HG21      THR  22  43.719  17.711   4.060
  160   HG22  THR  22          HG22      THR  22  43.421  18.908   2.776
  161   HG23  THR  22          HG23      THR  22  42.056  18.228   3.694
  162    H    HIS  23           HN       HIS  23  46.213  19.935   6.604
  163    HA   HIS  23           HA       HIS  23  45.144  21.555   8.624
  164    HB2  HIS  23           HB2      HIS  23  47.036  19.933   8.880
  165    HB3  HIS  23           HB1      HIS  23  48.107  21.114   8.090
  166    HD1  HIS  23           HD1      HIS  23  47.021  20.070  11.364
  167    HD2  HIS  23           HD2      HIS  23  47.961  23.767   9.592
  168    HE1  HIS  23           HE1      HIS  23  47.445  21.735  13.255
  169    H    TYR  24           HN       TYR  24  47.596  22.445   6.157
  170    HA   TYR  24           HA       TYR  24  47.710  25.212   7.076
  171    HB2  TYR  24           HB2      TYR  24  49.563  23.962   5.869
  172    HB3  TYR  24           HB1      TYR  24  48.590  24.100   4.386
  173    HD1  TYR  24           HD1      TYR  24  48.240  26.264   3.295
  174    HD2  TYR  24           HD2      TYR  24  50.528  25.959   6.943
  175    HE1  TYR  24           HE1      TYR  24  49.096  28.579   2.953
  176    HE2  TYR  24           HE2      TYR  24  51.384  28.275   6.599
  177    HH   TYR  24           HH       TYR  24  50.476  30.159   3.693
  178    H    LEU  25           HN       LEU  25  46.551  26.937   6.457
  179    HA   LEU  25           HA       LEU  25  44.150  26.486   4.855
  180    HB2  LEU  25           HB2      LEU  25  45.242  29.194   5.683
  181    HB3  LEU  25           HB1      LEU  25  43.548  28.696   5.454
  182    HG   LEU  25           HG       LEU  25  45.435  27.765   7.664
  183   HD11  LEU  25          HD11      LEU  25  42.872  29.421   7.708
  184   HD12  LEU  25          HD12      LEU  25  44.519  30.056   7.940
  185   HD13  LEU  25          HD13      LEU  25  43.821  28.933   9.133
  186   HD21  LEU  25          HD21      LEU  25  44.041  25.887   7.134
  187   HD22  LEU  25          HD22      LEU  25  42.614  26.920   6.875
  188   HD23  LEU  25          HD23      LEU  25  43.255  26.677   8.519
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1  53.817   0.028  -8.369
    2    H2   GLY   1           HT2      GLY   1  53.503  -1.526  -8.978
    3    H3   GLY   1           HT3      GLY   1  52.239  -0.405  -8.807
    4    HA2  GLY   1           HA1      GLY   1  52.567  -0.129 -10.967
    5    HA3  GLY   1           HA2      GLY   1  53.782   1.005 -10.347
    6    H    TRP   2           HN       TRP   2  55.873   0.717 -10.837
    7    HA   TRP   2           HA       TRP   2  56.961  -1.909 -11.477
    8    HB2  TRP   2           HB2      TRP   2  55.698  -1.390 -13.577
    9    HB3  TRP   2           HB1      TRP   2  56.685   0.079 -13.764
   10    HD1  TRP   2           HD1      TRP   2  58.898  -0.194 -14.990
   11    HE1  TRP   2           HE1      TRP   2  60.397  -2.173 -15.762
   12    HE3  TRP   2           HE3      TRP   2  56.366  -4.042 -12.756
   13    HZ2  TRP   2           HZ2      TRP   2  60.460  -5.033 -15.434
   14    HZ3  TRP   2           HZ3      TRP   2  57.164  -6.387 -12.999
   15    HH2  TRP   2           HH2      TRP   2  59.207  -6.886 -14.334
   16    H    GLY   3           HN       GLY   3  57.222   0.963 -10.137
   17    HA2  GLY   3           HA1      GLY   3  60.031   0.882  -9.804
   18    HA3  GLY   3           HA2      GLY   3  59.691   2.040 -11.104
   19    H    SER   4           HN       SER   4  57.171   1.698  -8.807
   20    HA   SER   4           HA       SER   4  58.171   3.624  -6.868
   21    HB2  SER   4           HB2      SER   4  56.934   5.555  -7.478
   22    HB3  SER   4           HB1      SER   4  57.694   5.012  -8.991
   23    HG   SER   4           HG       SER   4  55.163   5.417  -8.588
   24    H    PHE   5           HN       PHE   5  57.217   3.034  -5.042
   25    HA   PHE   5           HA       PHE   5  54.344   2.818  -4.818
   26    HB2  PHE   5           HB2      PHE   5  54.182   0.418  -4.293
   27    HB3  PHE   5           HB1      PHE   5  54.750   0.661  -5.962
   28    HD1  PHE   5           HD1      PHE   5  55.611  -0.592  -2.619
   29    HD2  PHE   5           HD2      PHE   5  57.175   0.380  -6.524
   30    HE1  PHE   5           HE1      PHE   5  57.669  -1.903  -2.121
   31    HE2  PHE   5           HE2      PHE   5  59.233  -0.930  -6.025
   32    HZ   PHE   5           HZ       PHE   5  59.506  -2.021  -3.801
   33    H    PHE   6           HN       PHE   6  53.993   3.630  -2.870
   34    HA   PHE   6           HA       PHE   6  56.111   3.508  -0.814
   35    HB2  PHE   6           HB2      PHE   6  53.306   4.675  -0.629
   36    HB3  PHE   6           HB1      PHE   6  54.688   5.012   0.440
   37    HD1  PHE   6           HD1      PHE   6  56.722   6.188  -0.476
   38    HD2  PHE   6           HD2      PHE   6  53.077   5.787  -2.755
   39    HE1  PHE   6           HE1      PHE   6  57.480   8.000  -2.009
   40    HE2  PHE   6           HE2      PHE   6  53.838   7.597  -4.289
   41    HZ   PHE   6           HZ       PHE   6  56.067   8.659  -3.953
   42    H    LYS   7           HN       LYS   7  54.595   3.463   1.514
   43    HA   LYS   7           HA       LYS   7  54.277   0.600   1.864
   44    HB2  LYS   7           HB2      LYS   7  53.403   2.843   3.726
   45    HB3  LYS   7           HB1      LYS   7  53.722   1.147   4.161
   46    HG2  LYS   7           HG2      LYS   7  56.097   1.476   3.315
   47    HG3  LYS   7           HG1      LYS   7  55.732   3.213   3.176
   48    HD2  LYS   7           HD2      LYS   7  55.140   3.274   5.590
   49    HD3  LYS   7           HD1      LYS   7  55.543   1.545   5.724
   50    HE2  LYS   7           HE2      LYS   7  57.439   3.809   4.967
   51    HE3  LYS   7           HE1      LYS   7  57.463   2.853   6.468
   52    HZ1  LYS   7           HZ1      LYS   7  58.799   1.450   5.414
   53    HZ2  LYS   7           HZ2      LYS   7  58.583   2.238   3.924
   54    HZ3  LYS   7           HZ3      LYS   7  57.503   1.019   4.409
   55    H    LYS   8           HN       LYS   8  52.125   0.225   3.476
   56    HA   LYS   8           HA       LYS   8  49.977   0.051   1.542
   57    HB2  LYS   8           HB2      LYS   8  50.391  -1.562   3.441
   58    HB3  LYS   8           HB1      LYS   8  49.801  -0.307   4.557
   59    HG2  LYS   8           HG2      LYS   8  47.643  -0.233   3.374
   60    HG3  LYS   8           HG1      LYS   8  48.227  -1.441   2.202
   61    HD2  LYS   8           HD2      LYS   8  48.480  -3.104   3.987
   62    HD3  LYS   8           HD1      LYS   8  48.001  -1.901   5.209
   63    HE2  LYS   8           HE2      LYS   8  45.803  -1.642   3.967
   64    HE3  LYS   8           HE1      LYS   8  46.286  -3.024   2.955
   65    HZ1  LYS   8           HZ1      LYS   8  45.431  -2.961   5.733
   66    HZ2  LYS   8           HZ2      LYS   8  46.733  -3.998   5.398
   67    HZ3  LYS   8           HZ3      LYS   8  45.261  -4.183   4.570
   68    H    ALA   9           HN       ALA   9  49.420   2.102   0.829
   69    HA   ALA   9           HA       ALA   9  47.521   3.503   2.539
   70    HB1  ALA   9           HB1      ALA   9  49.603   4.417   3.468
   71    HB2  ALA   9           HB2      ALA   9  48.706   5.667   2.571
   72    HB3  ALA   9           HB3      ALA   9  50.132   4.892   1.837
   73    H    ALA  10           HN       ALA  10  49.758   4.085  -0.221
   74    HA   ALA  10           HA       ALA  10  49.315   4.928  -2.340
   75    HB1  ALA  10           HB1      ALA  10  48.258   2.679  -2.477
   76    HB2  ALA  10           HB2      ALA  10  47.460   3.881  -3.520
   77    HB3  ALA  10           HB3      ALA  10  46.711   3.404  -1.976
   78    H    HIS  11           HN       HIS  11  49.030   6.955  -0.754
   79    HA   HIS  11           HA       HIS  11  47.924   8.966  -0.401
   80    HB2  HIS  11           HB2      HIS  11  46.607   8.190  -3.034
   81    HB3  HIS  11           HB1      HIS  11  46.569   9.813  -2.303
   82    HD1  HIS  11           HD1      HIS  11  49.772   8.302  -1.538
   83    HD2  HIS  11           HD2      HIS  11  48.148  10.367  -4.821
   84    HE1  HIS  11           HE1      HIS  11  51.725   9.078  -2.993
   85    H    ALA  12           HN       ALA  12  46.903   7.799   1.450
   86    HA   ALA  12           HA       ALA  12  44.214   6.780   1.192
   87    HB1  ALA  12           HB1      ALA  12  45.560   6.117   3.071
   88    HB2  ALA  12           HB2      ALA  12  44.190   7.065   3.697
   89    HB3  ALA  12           HB3      ALA  12  45.804   7.808   3.564
   90    H    GLY  13           HN       GLY  13  45.603   9.968   1.930
   91    HA2  GLY  13           HA1      GLY  13  43.128  11.193   2.720
   92    HA3  GLY  13           HA2      GLY  13  44.589  12.036   2.171
   93    H    LYS  14           HN       LYS  14  43.471  13.562   0.976
   94    HA   LYS  14           HA       LYS  14  41.692  12.611  -1.218
   95    HB2  LYS  14           HB2      LYS  14  42.553  15.467  -0.636
   96    HB3  LYS  14           HB1      LYS  14  41.109  14.902  -1.510
   97    HG2  LYS  14           HG2      LYS  14  41.689  14.516   1.462
   98    HG3  LYS  14           HG1      LYS  14  40.492  15.628   0.756
   99    HD2  LYS  14           HD2      LYS  14  39.469  13.511  -0.366
  100    HD3  LYS  14           HD1      LYS  14  40.461  12.587   0.789
  101    HE2  LYS  14           HE2      LYS  14  38.346  14.673   1.471
  102    HE3  LYS  14           HE1      LYS  14  38.237  12.919   1.743
  103    HZ1  LYS  14           HZ1      LYS  14  40.525  13.470   2.986
  104    HZ2  LYS  14           HZ2      LYS  14  39.012  13.501   3.762
  105    HZ3  LYS  14           HZ3      LYS  14  39.721  14.946   3.218
  106    H    HIS  15           HN       HIS  15  44.754  14.406  -0.756
  107    HA   HIS  15           HA       HIS  15  45.846  13.290  -3.215
  108    HB2  HIS  15           HB2      HIS  15  46.123  15.444  -4.408
  109    HB3  HIS  15           HB1      HIS  15  44.406  15.015  -4.217
  110    HD1  HIS  15           HD1      HIS  15  44.794  17.918  -4.656
  111    HD2  HIS  15           HD2      HIS  15  45.259  16.244  -0.827
  112    HE1  HIS  15           HE1      HIS  15  44.447  19.794  -2.956
  113    H    ALA  16           HN       ALA  16  46.474  13.465  -0.383
  114    HA   ALA  16           HA       ALA  16  49.245  14.414  -0.661
  115    HB1  ALA  16           HB1      ALA  16  47.469  15.660   1.463
  116    HB2  ALA  16           HB2      ALA  16  47.954  16.478  -0.042
  117    HB3  ALA  16           HB3      ALA  16  49.187  16.005   1.152
  118    H    GLY  17           HN       GLY  17  46.691  13.465   1.690
  119    HA2  GLY  17           HA1      GLY  17  46.690  11.724   3.221
  120    HA3  GLY  17           HA2      GLY  17  48.109  11.051   2.398
  121    H    LYS  18           HN       LYS  18  50.228  11.898   2.938
  122    HA   LYS  18           HA       LYS  18  50.761  11.923   5.677
  123    HB2  LYS  18           HB2      LYS  18  52.428  11.704   3.785
  124    HB3  LYS  18           HB1      LYS  18  52.366  13.474   3.613
  125    HG2  LYS  18           HG2      LYS  18  53.132  13.775   5.915
  126    HG3  LYS  18           HG1      LYS  18  53.070  12.019   6.199
  127    HD2  LYS  18           HD2      LYS  18  54.834  11.626   4.579
  128    HD3  LYS  18           HD1      LYS  18  54.809  13.331   4.068
  129    HE2  LYS  18           HE2      LYS  18  55.453  13.987   6.410
  130    HE3  LYS  18           HE1      LYS  18  55.611  12.260   6.809
  131    HZ1  LYS  18           HZ1      LYS  18  57.739  13.233   6.187
  132    HZ2  LYS  18           HZ2      LYS  18  57.117  13.696   4.675
  133    HZ3  LYS  18           HZ3      LYS  18  57.273  12.050   5.065
  134    H    ALA  19           HN       ALA  19  50.832  14.855   3.586
  135    HA   ALA  19           HA       ALA  19  50.812  16.622   5.887
  136    HB1  ALA  19           HB1      ALA  19  50.629  18.403   4.260
  137    HB2  ALA  19           HB2      ALA  19  50.114  17.255   3.001
  138    HB3  ALA  19           HB3      ALA  19  51.772  17.187   3.644
  139    H    ALA  20           HN       ALA  20  48.385  14.909   4.127
  140    HA   ALA  20           HA       ALA  20  46.068  14.971   4.222
  141    HB1  ALA  20           HB1      ALA  20  46.398  14.405   6.536
  142    HB2  ALA  20           HB2      ALA  20  45.113  15.637   6.460
  143    HB3  ALA  20           HB3      ALA  20  46.761  16.096   6.954
  144    H    LEU  21           HN       LEU  21  45.404  16.342   2.656
  145    HA   LEU  21           HA       LEU  21  44.525  18.268   1.725
  146    HB2  LEU  21           HB2      LEU  21  44.155  19.310   4.552
  147    HB3  LEU  21           HB1      LEU  21  43.195  19.686   3.104
  148    HG   LEU  21           HG       LEU  21  43.366  16.980   4.503
  149   HD11  LEU  21          HD11      LEU  21  42.025  18.746   5.669
  150   HD12  LEU  21          HD12      LEU  21  41.020  17.401   5.076
  151   HD13  LEU  21          HD13      LEU  21  41.053  18.945   4.191
  152   HD21  LEU  21          HD21      LEU  21  43.064  16.492   2.187
  153   HD22  LEU  21          HD22      LEU  21  42.016  17.909   1.934
  154   HD23  LEU  21          HD23      LEU  21  41.413  16.504   2.846
  155    H    THR  22           HN       THR  22  45.879  19.807   4.674
  156    HA   THR  22           HA       THR  22  48.167  20.879   3.158
  157    HB   THR  22           HB       THR  22  47.535  23.281   3.648
  158    HG1  THR  22           HG1      THR  22  45.253  21.933   4.525
  159   HG21  THR  22          HG21      THR  22  47.176  22.080   1.395
  160   HG22  THR  22          HG22      THR  22  46.220  23.554   1.678
  161   HG23  THR  22          HG23      THR  22  45.464  21.956   1.864
  162    H    HIS  23           HN       HIS  23  47.401  19.325   5.674
  163    HA   HIS  23           HA       HIS  23  48.134  19.224   7.877
  164    HB2  HIS  23           HB2      HIS  23  50.324  19.567   6.625
  165    HB3  HIS  23           HB1      HIS  23  50.195  21.296   7.026
  166    HD1  HIS  23           HD1      HIS  23  52.603  20.038   8.208
  167    HD2  HIS  23           HD2      HIS  23  48.868  19.887  10.131
  168    HE1  HIS  23           HE1      HIS  23  53.038  19.561  10.679
  169    H    TYR  24           HN       TYR  24  45.951  20.521   8.005
  170    HA   TYR  24           HA       TYR  24  46.271  23.313   8.893
  171    HB2  TYR  24           HB2      TYR  24  43.831  23.185   9.288
  172    HB3  TYR  24           HB1      TYR  24  44.265  22.623   7.656
  173    HD1  TYR  24           HD1      TYR  24  42.868  21.677  10.913
  174    HD2  TYR  24           HD2      TYR  24  44.365  20.164   7.156
  175    HE1  TYR  24           HE1      TYR  24  41.796  19.475  11.372
  176    HE2  TYR  24           HE2      TYR  24  43.293  17.962   7.617
  177    HH   TYR  24           HH       TYR  24  41.441  17.043   9.034
  178    H    LEU  25           HN       LEU  25  47.140  20.522  10.332
  179    HA   LEU  25           HA       LEU  25  45.860  20.835  12.939
  180    HB2  LEU  25           HB2      LEU  25  48.469  19.376  12.405
  181    HB3  LEU  25           HB1      LEU  25  47.242  19.040  13.648
  182    HG   LEU  25           HG       LEU  25  46.875  18.709  10.635
  183   HD11  LEU  25          HD11      LEU  25  48.340  17.008  11.740
  184   HD12  LEU  25          HD12      LEU  25  46.814  16.309  11.148
  185   HD13  LEU  25          HD13      LEU  25  47.023  16.652  12.882
  186   HD21  LEU  25          HD21      LEU  25  44.726  17.530  11.464
  187   HD22  LEU  25          HD22      LEU  25  44.741  19.306  11.545
  188   HD23  LEU  25          HD23      LEU  25  45.011  18.347  13.020
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1  60.938   4.655  -5.359
    2    H2   GLY   1           HT2      GLY   1  61.168   3.427  -6.511
    3    H3   GLY   1           HT3      GLY   1  62.438   3.875  -5.474
    4    HA2  GLY   1           HA1      GLY   1  61.744   2.632  -3.830
    5    HA3  GLY   1           HA2      GLY   1  60.058   3.117  -4.103
    6    H    TRP   2           HN       TRP   2  61.027   2.227  -7.072
    7    HA   TRP   2           HA       TRP   2  60.578   0.356  -8.366
    8    HB2  TRP   2           HB2      TRP   2  61.506  -1.192  -5.915
    9    HB3  TRP   2           HB1      TRP   2  61.490  -1.761  -7.602
   10    HD1  TRP   2           HD1      TRP   2  63.538   0.179  -5.137
   11    HE1  TRP   2           HE1      TRP   2  65.718   1.063  -6.244
   12    HE3  TRP   2           HE3      TRP   2  62.424  -0.833 -10.029
   13    HZ2  TRP   2           HZ2      TRP   2  66.801   1.286  -8.903
   14    HZ3  TRP   2           HZ3      TRP   2  64.046  -0.277 -11.835
   15    HH2  TRP   2           HH2      TRP   2  66.231   0.780 -11.278
   16    H    GLY   3           HN       GLY   3  59.434  -1.925  -8.297
   17    HA2  GLY   3           HA1      GLY   3  57.540  -3.166  -7.759
   18    HA3  GLY   3           HA2      GLY   3  57.319  -2.178  -6.303
   19    H    SER   4           HN       SER   4  56.744   0.238  -6.908
   20    HA   SER   4           HA       SER   4  54.988   1.570  -7.643
   21    HB2  SER   4           HB2      SER   4  56.201   1.782  -9.678
   22    HB3  SER   4           HB1      SER   4  55.801   0.126 -10.184
   23    HG   SER   4           HG       SER   4  53.544   1.479  -9.684
   24    H    PHE   5           HN       PHE   5  53.471   0.491  -6.262
   25    HA   PHE   5           HA       PHE   5  51.990  -1.808  -6.878
   26    HB2  PHE   5           HB2      PHE   5  51.004   0.740  -5.535
   27    HB3  PHE   5           HB1      PHE   5  50.220  -0.856  -5.437
   28    HD1  PHE   5           HD1      PHE   5  51.260  -2.706  -4.192
   29    HD2  PHE   5           HD2      PHE   5  53.127   1.180  -4.391
   30    HE1  PHE   5           HE1      PHE   5  52.780  -3.341  -2.322
   31    HE2  PHE   5           HE2      PHE   5  54.646   0.547  -2.522
   32    HZ   PHE   5           HZ       PHE   5  54.521  -1.738  -1.536
   33    H    PHE   6           HN       PHE   6  49.399  -1.502  -7.162
   34    HA   PHE   6           HA       PHE   6  48.762   0.355  -9.372
   35    HB2  PHE   6           HB2      PHE   6  49.885  -1.592 -10.492
   36    HB3  PHE   6           HB1      PHE   6  48.621  -2.653  -9.822
   37    HD1  PHE   6           HD1      PHE   6  49.104   0.457 -11.885
   38    HD2  PHE   6           HD2      PHE   6  46.553  -2.903 -10.967
   39    HE1  PHE   6           HE1      PHE   6  47.598   1.084 -13.769
   40    HE2  PHE   6           HE2      PHE   6  45.049  -2.275 -12.853
   41    HZ   PHE   6           HZ       PHE   6  45.595  -0.307 -14.280
   42    H    LYS   7           HN       LYS   7  47.944  -2.060  -6.982
   43    HA   LYS   7           HA       LYS   7  45.134  -2.245  -7.486
   44    HB2  LYS   7           HB2      LYS   7  46.780  -2.530  -4.944
   45    HB3  LYS   7           HB1      LYS   7  45.032  -2.860  -5.018
   46    HG2  LYS   7           HG2      LYS   7  45.329  -4.639  -6.594
   47    HG3  LYS   7           HG1      LYS   7  47.013  -4.168  -6.926
   48    HD2  LYS   7           HD2      LYS   7  46.853  -6.171  -5.433
   49    HD3  LYS   7           HD1      LYS   7  47.678  -4.802  -4.653
   50    HE2  LYS   7           HE2      LYS   7  45.797  -4.290  -3.295
   51    HE3  LYS   7           HE1      LYS   7  44.689  -5.247  -4.310
   52    HZ1  LYS   7           HZ1      LYS   7  45.499  -7.220  -3.469
   53    HZ2  LYS   7           HZ2      LYS   7  45.545  -6.223  -2.095
   54    HZ3  LYS   7           HZ3      LYS   7  46.971  -6.548  -2.961
   55    H    LYS   8           HN       LYS   8  46.150  -0.822  -4.421
   56    HA   LYS   8           HA       LYS   8  45.216   1.857  -5.062
   57    HB2  LYS   8           HB2      LYS   8  43.040   0.631  -4.982
   58    HB3  LYS   8           HB1      LYS   8  43.406   0.154  -3.306
   59    HG2  LYS   8           HG2      LYS   8  43.462   2.474  -2.588
   60    HG3  LYS   8           HG1      LYS   8  43.313   3.044  -4.269
   61    HD2  LYS   8           HD2      LYS   8  41.077   2.105  -4.454
   62    HD3  LYS   8           HD1      LYS   8  41.224   1.331  -2.857
   63    HE2  LYS   8           HE2      LYS   8  39.907   3.507  -2.867
   64    HE3  LYS   8           HE1      LYS   8  41.282   3.472  -1.739
   65    HZ1  LYS   8           HZ1      LYS   8  42.360   5.036  -2.895
   66    HZ2  LYS   8           HZ2      LYS   8  40.848   5.390  -3.583
   67    HZ3  LYS   8           HZ3      LYS   8  41.943   4.381  -4.402
   68    H    ALA   9           HN       ALA   9  45.884   3.310  -3.572
   69    HA   ALA   9           HA       ALA   9  46.345   2.635  -0.797
   70    HB1  ALA   9           HB1      ALA   9  48.769   2.806  -2.622
   71    HB2  ALA   9           HB2      ALA   9  48.248   1.399  -1.663
   72    HB3  ALA   9           HB3      ALA   9  48.829   2.870  -0.844
   73    H    ALA  10           HN       ALA  10  48.489   4.609  -2.829
   74    HA   ALA  10           HA       ALA  10  48.812   6.899  -2.906
   75    HB1  ALA  10           HB1      ALA  10  46.408   6.728  -3.743
   76    HB2  ALA  10           HB2      ALA  10  46.903   8.303  -3.080
   77    HB3  ALA  10           HB3      ALA  10  45.905   7.200  -2.104
   78    H    HIS  11           HN       HIS  11  49.743   8.305  -1.554
   79    HA   HIS  11           HA       HIS  11  48.641   8.921   1.059
   80    HB2  HIS  11           HB2      HIS  11  50.587   7.984   2.363
   81    HB3  HIS  11           HB1      HIS  11  49.491   6.750   1.698
   82    HD1  HIS  11           HD1      HIS  11  52.396   8.687   0.071
   83    HD2  HIS  11           HD2      HIS  11  51.105   4.738   0.725
   84    HE1  HIS  11           HE1      HIS  11  54.096   7.136  -1.039
   85    H    ALA  12           HN       ALA  12  49.446  10.393  -1.222
   86    HA   ALA  12           HA       ALA  12  52.073  11.430  -1.130
   87    HB1  ALA  12           HB1      ALA  12  50.545  11.952  -2.940
   88    HB2  ALA  12           HB2      ALA  12  51.074  13.468  -2.170
   89    HB3  ALA  12           HB3      ALA  12  49.457  12.807  -1.822
   90    H    GLY  13           HN       GLY  13  52.595  13.771  -0.507
   91    HA2  GLY  13           HA1      GLY  13  52.830  15.374   1.147
   92    HA3  GLY  13           HA2      GLY  13  51.211  14.943   1.730
   93    H    LYS  14           HN       LYS  14  51.665  14.996   3.898
   94    HA   LYS  14           HA       LYS  14  53.982  13.705   5.044
   95    HB2  LYS  14           HB2      LYS  14  52.688  15.531   6.152
   96    HB3  LYS  14           HB1      LYS  14  51.327  14.402   6.363
   97    HG2  LYS  14           HG2      LYS  14  52.694  12.927   7.744
   98    HG3  LYS  14           HG1      LYS  14  54.141  13.917   7.434
   99    HD2  LYS  14           HD2      LYS  14  52.973  15.868   8.508
  100    HD3  LYS  14           HD1      LYS  14  51.625  14.781   8.925
  101    HE2  LYS  14           HE2      LYS  14  54.523  14.352   9.774
  102    HE3  LYS  14           HE1      LYS  14  53.260  15.064  10.806
  103    HZ1  LYS  14           HZ1      LYS  14  52.838  12.443   9.506
  104    HZ2  LYS  14           HZ2      LYS  14  52.108  13.077  10.903
  105    HZ3  LYS  14           HZ3      LYS  14  53.721  12.548  10.950
  106    H    HIS  15           HN       HIS  15  50.587  12.733   4.529
  107    HA   HIS  15           HA       HIS  15  51.321   9.930   4.476
  108    HB2  HIS  15           HB2      HIS  15  51.435  10.299   6.927
  109    HB3  HIS  15           HB1      HIS  15  49.758  10.895   6.905
  110    HD1  HIS  15           HD1      HIS  15  48.092   9.153   7.509
  111    HD2  HIS  15           HD2      HIS  15  51.491   7.497   5.670
  112    HE1  HIS  15           HE1      HIS  15  47.737   6.626   7.384
  113    H    ALA  16           HN       ALA  16  49.342  12.544   3.878
  114    HA   ALA  16           HA       ALA  16  47.475  10.914   2.354
  115    HB1  ALA  16           HB1      ALA  16  45.452  11.387   3.543
  116    HB2  ALA  16           HB2      ALA  16  46.298  12.462   4.683
  117    HB3  ALA  16           HB3      ALA  16  46.598  10.707   4.722
  118    H    GLY  17           HN       GLY  17  48.590  13.967   3.665
  119    HA2  GLY  17           HA1      GLY  17  48.739  16.030   2.604
  120    HA3  GLY  17           HA2      GLY  17  48.079  15.292   1.131
  121    H    LYS  18           HN       LYS  18  45.704  14.822   1.146
  122    HA   LYS  18           HA       LYS  18  44.295  17.247   1.831
  123    HB2  LYS  18           HB2      LYS  18  42.274  15.974   1.088
  124    HB3  LYS  18           HB1      LYS  18  43.610  15.914  -0.086
  125    HG2  LYS  18           HG2      LYS  18  44.299  13.700   0.857
  126    HG3  LYS  18           HG1      LYS  18  42.891  13.754   1.946
  127    HD2  LYS  18           HD2      LYS  18  41.360  13.804   0.039
  128    HD3  LYS  18           HD1      LYS  18  42.728  13.902  -1.096
  129    HE2  LYS  18           HE2      LYS  18  43.528  11.689  -0.354
  130    HE3  LYS  18           HE1      LYS  18  42.194  11.589   0.821
  131    HZ1  LYS  18           HZ1      LYS  18  40.864  10.852  -0.773
  132    HZ2  LYS  18           HZ2      LYS  18  42.164  10.853  -1.866
  133    HZ3  LYS  18           HZ3      LYS  18  41.164  12.220  -1.730
  134    H    ALA  19           HN       ALA  19  45.472  15.024   3.879
  135    HA   ALA  19           HA       ALA  19  43.629  15.786   5.998
  136    HB1  ALA  19           HB1      ALA  19  42.745  13.601   6.528
  137    HB2  ALA  19           HB2      ALA  19  43.668  12.856   5.201
  138    HB3  ALA  19           HB3      ALA  19  42.335  13.979   4.839
  139    H    ALA  20           HN       ALA  20  46.246  16.304   5.855
  140    HA   ALA  20           HA       ALA  20  47.277  14.955   8.196
  141    HB1  ALA  20           HB1      ALA  20  48.691  14.338   5.579
  142    HB2  ALA  20           HB2      ALA  20  47.682  13.185   6.484
  143    HB3  ALA  20           HB3      ALA  20  49.180  13.817   7.207
  144    H    LEU  21           HN       LEU  21  48.054  16.770   5.218
  145    HA   LEU  21           HA       LEU  21  50.311  18.146   6.396
  146    HB2  LEU  21           HB2      LEU  21  49.993  17.858   3.947
  147    HB3  LEU  21           HB1      LEU  21  48.566  18.912   4.019
  148    HG   LEU  21           HG       LEU  21  50.014  20.774   4.873
  149   HD11  LEU  21          HD11      LEU  21  52.141  18.617   4.612
  150   HD12  LEU  21          HD12      LEU  21  51.884  19.788   5.929
  151   HD13  LEU  21          HD13      LEU  21  52.578  20.328   4.387
  152   HD21  LEU  21          HD21      LEU  21  49.507  20.475   2.447
  153   HD22  LEU  21          HD22      LEU  21  50.988  19.504   2.276
  154   HD23  LEU  21          HD23      LEU  21  51.099  21.225   2.714
  155    H    THR  22           HN       THR  22  49.626  18.968   8.399
  156    HA   THR  22           HA       THR  22  48.637  20.509   9.827
  157    HB   THR  22           HB       THR  22  48.568  22.819   9.053
  158    HG1  THR  22           HG1      THR  22  48.231  23.290   7.026
  159   HG21  THR  22          HG21      THR  22  50.817  21.286   7.681
  160   HG22  THR  22          HG22      THR  22  50.799  21.790   9.388
  161   HG23  THR  22          HG23      THR  22  50.838  23.016   8.098
  162    H    HIS  23           HN       HIS  23  46.916  18.838   7.803
  163    HA   HIS  23           HA       HIS  23  44.656  18.589   7.352
  164    HB2  HIS  23           HB2      HIS  23  44.430  20.314   9.850
  165    HB3  HIS  23           HB1      HIS  23  43.087  19.415   9.105
  166    HD1  HIS  23           HD1      HIS  23  43.408  16.733   8.941
  167    HD2  HIS  23           HD2      HIS  23  45.989  18.776  11.559
  168    HE1  HIS  23           HE1      HIS  23  44.468  14.989  10.478
  169    H    TYR  24           HN       TYR  24  44.248  21.807   8.806
  170    HA   TYR  24           HA       TYR  24  44.061  23.126   6.181
  171    HB2  TYR  24           HB2      TYR  24  41.587  22.622   7.882
  172    HB3  TYR  24           HB1      TYR  24  41.674  23.846   6.593
  173    HD1  TYR  24           HD1      TYR  24  41.323  20.288   7.357
  174    HD2  TYR  24           HD2      TYR  24  42.171  23.130   4.220
  175    HE1  TYR  24           HE1      TYR  24  40.851  18.540   5.644
  176    HE2  TYR  24           HE2      TYR  24  41.701  21.382   2.509
  177    HH   TYR  24           HH       TYR  24  41.661  18.355   2.845
  178    H    LEU  25           HN       LEU  25  45.867  23.819   7.924
  179    HA   LEU  25           HA       LEU  25  46.629  25.522   9.307
  180    HB2  LEU  25           HB2      LEU  25  44.255  27.150   8.341
  181    HB3  LEU  25           HB1      LEU  25  45.887  27.713   8.775
  182    HG   LEU  25           HG       LEU  25  45.155  25.974   6.376
  183   HD11  LEU  25          HD11      LEU  25  45.812  27.936   5.065
  184   HD12  LEU  25          HD12      LEU  25  46.239  28.820   6.549
  185   HD13  LEU  25          HD13      LEU  25  44.541  28.398   6.221
  186   HD21  LEU  25          HD21      LEU  25  47.336  25.276   7.073
  187   HD22  LEU  25          HD22      LEU  25  47.818  26.934   7.504
  188   HD23  LEU  25          HD23      LEU  25  47.628  26.475   5.794
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1  56.087   5.242 -11.113
    2    H2   GLY   1           HT2      GLY   1  55.416   4.506 -12.491
    3    H3   GLY   1           HT3      GLY   1  56.553   3.670 -11.542
    4    HA2  GLY   1           HA1      GLY   1  55.012   3.759  -9.672
    5    HA3  GLY   1           HA2      GLY   1  53.822   4.464 -10.784
    6    H    TRP   2           HN       TRP   2  53.102   2.211  -9.515
    7    HA   TRP   2           HA       TRP   2  52.428   0.013  -9.846
    8    HB2  TRP   2           HB2      TRP   2  52.616   0.633 -12.814
    9    HB3  TRP   2           HB1      TRP   2  51.494  -0.473 -11.984
   10    HD1  TRP   2           HD1      TRP   2  50.164   1.067  -9.824
   11    HE1  TRP   2           HE1      TRP   2  48.770   3.230 -10.194
   12    HE3  TRP   2           HE3      TRP   2  52.117   2.527 -14.327
   13    HZ2  TRP   2           HZ2      TRP   2  48.557   5.297 -12.188
   14    HZ3  TRP   2           HZ3      TRP   2  51.303   4.598 -15.445
   15    HH2  TRP   2           HH2      TRP   2  49.527   5.983 -14.380
   16    H    GLY   3           HN       GLY   3  55.268   0.466  -9.594
   17    HA2  GLY   3           HA1      GLY   3  56.254  -2.100 -10.175
   18    HA3  GLY   3           HA2      GLY   3  56.712  -1.076 -11.551
   19    H    SER   4           HN       SER   4  56.349   0.369  -8.408
   20    HA   SER   4           HA       SER   4  59.116   0.011  -7.578
   21    HB2  SER   4           HB2      SER   4  58.295   2.623  -8.900
   22    HB3  SER   4           HB1      SER   4  59.703   2.468  -7.826
   23    HG   SER   4           HG       SER   4  59.194   1.078 -10.262
   24    H    PHE   5           HN       PHE   5  57.423   3.095  -7.311
   25    HA   PHE   5           HA       PHE   5  57.466   3.046  -4.451
   26    HB2  PHE   5           HB2      PHE   5  55.573   4.641  -6.220
   27    HB3  PHE   5           HB1      PHE   5  56.108   5.042  -4.569
   28    HD1  PHE   5           HD1      PHE   5  58.340   5.931  -4.142
   29    HD2  PHE   5           HD2      PHE   5  57.130   4.819  -8.132
   30    HE1  PHE   5           HE1      PHE   5  60.322   7.121  -5.074
   31    HE2  PHE   5           HE2      PHE   5  59.112   6.008  -9.065
   32    HZ   PHE   5           HZ       PHE   5  60.644   7.249  -7.543
   33    H    PHE   6           HN       PHE   6  55.805   2.780  -2.917
   34    HA   PHE   6           HA       PHE   6  53.144   1.941  -3.669
   35    HB2  PHE   6           HB2      PHE   6  54.346  -0.106  -4.360
   36    HB3  PHE   6           HB1      PHE   6  55.035  -0.251  -2.726
   37    HD1  PHE   6           HD1      PHE   6  53.853  -1.504  -1.097
   38    HD2  PHE   6           HD2      PHE   6  51.719   0.116  -4.481
   39    HE1  PHE   6           HE1      PHE   6  51.783  -2.671  -0.351
   40    HE2  PHE   6           HE2      PHE   6  49.649  -1.052  -3.733
   41    HZ   PHE   6           HZ       PHE   6  49.665  -2.386  -1.630
   42    H    LYS   7           HN       LYS   7  55.233   0.583  -1.108
   43    HA   LYS   7           HA       LYS   7  55.030   0.723   1.197
   44    HB2  LYS   7           HB2      LYS   7  54.261   3.592   0.516
   45    HB3  LYS   7           HB1      LYS   7  54.757   3.006   2.124
   46    HG2  LYS   7           HG2      LYS   7  56.939   2.288   1.186
   47    HG3  LYS   7           HG1      LYS   7  56.447   2.895  -0.414
   48    HD2  LYS   7           HD2      LYS   7  56.244   5.175   0.476
   49    HD3  LYS   7           HD1      LYS   7  56.638   4.594   2.112
   50    HE2  LYS   7           HE2      LYS   7  58.660   5.526   1.137
   51    HE3  LYS   7           HE1      LYS   7  58.842   3.756   1.205
   52    HZ1  LYS   7           HZ1      LYS   7  58.676   5.507  -1.083
   53    HZ2  LYS   7           HZ2      LYS   7  57.659   4.151  -1.195
   54    HZ3  LYS   7           HZ3      LYS   7  59.329   3.947  -0.954
   55    H    LYS   8           HN       LYS   8  52.922   3.068   2.000
   56    HA   LYS   8           HA       LYS   8  50.877   1.207   2.817
   57    HB2  LYS   8           HB2      LYS   8  50.793   4.245   2.625
   58    HB3  LYS   8           HB1      LYS   8  49.648   3.224   3.528
   59    HG2  LYS   8           HG2      LYS   8  51.602   2.324   4.851
   60    HG3  LYS   8           HG1      LYS   8  52.639   3.521   4.037
   61    HD2  LYS   8           HD2      LYS   8  51.235   5.354   4.910
   62    HD3  LYS   8           HD1      LYS   8  50.163   4.170   5.698
   63    HE2  LYS   8           HE2      LYS   8  51.703   4.976   7.381
   64    HE3  LYS   8           HE1      LYS   8  52.193   3.316   6.965
   65    HZ1  LYS   8           HZ1      LYS   8  53.965   5.173   7.051
   66    HZ2  LYS   8           HZ2      LYS   8  53.360   5.617   5.526
   67    HZ3  LYS   8           HZ3      LYS   8  54.002   4.063   5.769
   68    H    ALA   9           HN       ALA   9  48.859   0.771   2.023
   69    HA   ALA   9           HA       ALA   9  48.498   1.057  -0.829
   70    HB1  ALA   9           HB1      ALA   9  46.337  -0.000  -0.446
   71    HB2  ALA   9           HB2      ALA   9  46.457   0.324   1.301
   72    HB3  ALA   9           HB3      ALA   9  47.583  -0.817   0.527
   73    H    ALA  10           HN       ALA  10  47.074   2.325  -2.012
   74    HA   ALA  10           HA       ALA  10  46.005   4.322  -2.517
   75    HB1  ALA  10           HB1      ALA  10  44.173   4.982  -1.004
   76    HB2  ALA  10           HB2      ALA  10  44.808   3.881   0.242
   77    HB3  ALA  10           HB3      ALA  10  44.181   3.225  -1.289
   78    H    HIS  11           HN       HIS  11  45.321   6.585  -1.328
   79    HA   HIS  11           HA       HIS  11  47.132   7.533   0.696
   80    HB2  HIS  11           HB2      HIS  11  48.494   9.042  -0.824
   81    HB3  HIS  11           HB1      HIS  11  48.893   7.310  -0.927
   82    HD1  HIS  11           HD1      HIS  11  49.817   8.183  -3.393
   83    HD2  HIS  11           HD2      HIS  11  45.660   7.886  -2.839
   84    HE1  HIS  11           HE1      HIS  11  48.739   8.178  -5.708
   85    H    ALA  12           HN       ALA  12  44.320   7.626  -0.164
   86    HA   ALA  12           HA       ALA  12  43.797  10.323  -1.138
   87    HB1  ALA  12           HB1      ALA  12  41.440   9.774  -0.439
   88    HB2  ALA  12           HB2      ALA  12  42.048   8.217   0.174
   89    HB3  ALA  12           HB3      ALA  12  42.171   8.602  -1.560
   90    H    GLY  13           HN       GLY  13  45.198  11.483   0.381
   91    HA2  GLY  13           HA1      GLY  13  45.307  12.973   2.155
   92    HA3  GLY  13           HA2      GLY  13  43.629  12.561   2.559
   93    H    LYS  14           HN       LYS  14  47.022  11.556   2.894
   94    HA   LYS  14           HA       LYS  14  46.579  10.764   5.649
   95    HB2  LYS  14           HB2      LYS  14  45.565   8.792   4.579
   96    HB3  LYS  14           HB1      LYS  14  47.041   8.548   3.614
   97    HG2  LYS  14           HG2      LYS  14  48.350   8.025   5.545
   98    HG3  LYS  14           HG1      LYS  14  47.105   8.643   6.656
   99    HD2  LYS  14           HD2      LYS  14  47.147   6.144   6.568
  100    HD3  LYS  14           HD1      LYS  14  45.589   6.817   6.034
  101    HE2  LYS  14           HE2      LYS  14  46.065   6.398   3.740
  102    HE3  LYS  14           HE1      LYS  14  47.802   6.162   4.053
  103    HZ1  LYS  14           HZ1      LYS  14  47.154   4.198   5.417
  104    HZ2  LYS  14           HZ2      LYS  14  46.809   4.038   3.761
  105    HZ3  LYS  14           HZ3      LYS  14  45.562   4.381   4.863
  106    H    HIS  15           HN       HIS  15  48.477  11.215   2.808
  107    HA   HIS  15           HA       HIS  15  50.857  11.733   4.416
  108    HB2  HIS  15           HB2      HIS  15  50.916   9.230   4.220
  109    HB3  HIS  15           HB1      HIS  15  50.972   9.413   2.449
  110    HD1  HIS  15           HD1      HIS  15  53.271   9.429   1.502
  111    HD2  HIS  15           HD2      HIS  15  53.177  10.990   5.405
  112    HE1  HIS  15           HE1      HIS  15  55.676   9.992   2.155
  113    H    ALA  16           HN       ALA  16  48.949  11.829   1.598
  114    HA   ALA  16           HA       ALA  16  50.507  14.018   0.510
  115    HB1  ALA  16           HB1      ALA  16  51.886  12.045  -0.208
  116    HB2  ALA  16           HB2      ALA  16  51.241  13.011  -1.556
  117    HB3  ALA  16           HB3      ALA  16  50.479  11.461  -1.126
  118    H    GLY  17           HN       GLY  17  48.023  14.234   1.244
  119    HA2  GLY  17           HA1      GLY  17  46.574  14.556  -1.306
  120    HA3  GLY  17           HA2      GLY  17  45.840  13.421  -0.155
  121    H    LYS  18           HN       LYS  18  47.107  16.748  -0.452
  122    HA   LYS  18           HA       LYS  18  46.415  18.720   0.538
  123    HB2  LYS  18           HB2      LYS  18  44.327  18.198  -0.672
  124    HB3  LYS  18           HB1      LYS  18  43.746  17.265   0.729
  125    HG2  LYS  18           HG2      LYS  18  43.668  19.221   2.122
  126    HG3  LYS  18           HG1      LYS  18  44.572  20.190   0.933
  127    HD2  LYS  18           HD2      LYS  18  42.723  20.109  -0.638
  128    HD3  LYS  18           HD1      LYS  18  41.837  18.959   0.391
  129    HE2  LYS  18           HE2      LYS  18  42.647  21.753   1.300
  130    HE3  LYS  18           HE1      LYS  18  41.059  21.368   0.595
  131    HZ1  LYS  18           HZ1      LYS  18  40.392  20.419   2.483
  132    HZ2  LYS  18           HZ2      LYS  18  41.728  21.162   3.225
  133    HZ3  LYS  18           HZ3      LYS  18  41.837  19.555   2.686
  134    H    ALA  19           HN       ALA  19  44.206  16.601   2.378
  135    HA   ALA  19           HA       ALA  19  44.548  17.791   4.864
  136    HB1  ALA  19           HB1      ALA  19  44.209  14.826   4.297
  137    HB2  ALA  19           HB2      ALA  19  42.904  16.032   4.398
  138    HB3  ALA  19           HB3      ALA  19  43.864  15.635   5.843
  139    H    ALA  20           HN       ALA  20  46.632  15.350   3.325
  140    HA   ALA  20           HA       ALA  20  48.286  14.884   5.637
  141    HB1  ALA  20           HB1      ALA  20  49.044  14.661   2.705
  142    HB2  ALA  20           HB2      ALA  20  48.159  13.414   3.617
  143    HB3  ALA  20           HB3      ALA  20  49.824  13.845   4.080
  144    H    LEU  21           HN       LEU  21  48.641  17.032   2.787
  145    HA   LEU  21           HA       LEU  21  51.154  18.147   3.610
  146    HB2  LEU  21           HB2      LEU  21  49.036  19.610   1.997
  147    HB3  LEU  21           HB1      LEU  21  50.804  19.779   1.908
  148    HG   LEU  21           HG       LEU  21  49.162  17.346   1.077
  149   HD11  LEU  21          HD11      LEU  21  49.916  17.891  -1.166
  150   HD12  LEU  21          HD12      LEU  21  50.963  19.191  -0.548
  151   HD13  LEU  21          HD13      LEU  21  49.193  19.355  -0.457
  152   HD21  LEU  21          HD21      LEU  21  51.495  16.583   0.226
  153   HD22  LEU  21          HD22      LEU  21  51.193  16.458   1.974
  154   HD23  LEU  21          HD23      LEU  21  52.164  17.806   1.333
  155    H    THR  22           HN       THR  22  47.906  19.691   3.676
  156    HA   THR  22           HA       THR  22  48.647  21.879   5.304
  157    HB   THR  22           HB       THR  22  45.949  20.453   5.316
  158    HG1  THR  22           HG1      THR  22  45.568  21.446   3.480
  159   HG21  THR  22          HG21      THR  22  46.117  22.067   7.114
  160   HG22  THR  22          HG22      THR  22  45.147  22.799   5.815
  161   HG23  THR  22          HG23      THR  22  46.849  23.272   6.030
  162    H    HIS  23           HN       HIS  23  46.961  18.877   6.351
  163    HA   HIS  23           HA       HIS  23  46.857  17.876   8.438
  164    HB2  HIS  23           HB2      HIS  23  49.208  17.390   7.936
  165    HB3  HIS  23           HB1      HIS  23  49.698  18.964   8.602
  166    HD1  HIS  23           HD1      HIS  23  50.776  18.550  10.815
  167    HD2  HIS  23           HD2      HIS  23  47.307  16.235  10.286
  168    HE1  HIS  23           HE1      HIS  23  50.397  17.242  12.977
  169    H    TYR  24           HN       TYR  24  49.116  20.347   9.610
  170    HA   TYR  24           HA       TYR  24  47.650  20.967  11.924
  171    HB2  TYR  24           HB2      TYR  24  49.388  22.906  10.349
  172    HB3  TYR  24           HB1      TYR  24  49.018  22.965  12.090
  173    HD1  TYR  24           HD1      TYR  24  50.025  21.369  13.657
  174    HD2  TYR  24           HD2      TYR  24  50.919  21.214   9.437
  175    HE1  TYR  24           HE1      TYR  24  51.954  19.860  14.121
  176    HE2  TYR  24           HE2      TYR  24  52.848  19.706   9.901
  177    HH   TYR  24           HH       TYR  24  54.276  19.579  12.809
  178    H    LEU  25           HN       LEU  25  45.523  21.426  11.873
  179    HA   LEU  25           HA       LEU  25  43.556  22.541  11.346
  180    HB2  LEU  25           HB2      LEU  25  45.285  24.959  10.726
  181    HB3  LEU  25           HB1      LEU  25  43.653  24.910  11.436
  182    HG   LEU  25           HG       LEU  25  46.237  23.944  12.740
  183   HD11  LEU  25          HD11      LEU  25  44.312  26.212  13.429
  184   HD12  LEU  25          HD12      LEU  25  45.916  26.410  12.680
  185   HD13  LEU  25          HD13      LEU  25  45.779  25.774  14.338
  186   HD21  LEU  25          HD21      LEU  25  43.313  23.758  13.582
  187   HD22  LEU  25          HD22      LEU  25  44.643  23.692  14.765
  188   HD23  LEU  25          HD23      LEU  25  44.520  22.453  13.494
  Start of MODEL   21
    1    H1   GLY   1           HT1      GLY   1  60.040  -1.904 -10.585
    2    H2   GLY   1           HT2      GLY   1  59.720  -0.680  -9.452
    3    H3   GLY   1           HT3      GLY   1  58.452  -1.634 -10.060
    4    HA2  GLY   1           HA1      GLY   1  60.609  -2.383  -8.218
    5    HA3  GLY   1           HA2      GLY   1  58.856  -2.447  -7.956
    6    H    TRP   2           HN       TRP   2  58.952  -4.638  -7.369
    7    HA   TRP   2           HA       TRP   2  60.144  -6.663  -9.007
    8    HB2  TRP   2           HB2      TRP   2  59.422  -6.934  -6.614
    9    HB3  TRP   2           HB1      TRP   2  57.733  -6.945  -7.173
   10    HD1  TRP   2           HD1      TRP   2  56.948  -9.012  -8.676
   11    HE1  TRP   2           HE1      TRP   2  57.850 -11.439  -8.927
   12    HE3  TRP   2           HE3      TRP   2  61.579  -8.372  -6.589
   13    HZ2  TRP   2           HZ2      TRP   2  60.264 -12.874  -8.297
   14    HZ3  TRP   2           HZ3      TRP   2  63.165 -10.284  -6.424
   15    HH2  TRP   2           HH2      TRP   2  62.513 -12.532  -7.276
   16    H    GLY   3           HN       GLY   3  57.100  -4.932  -9.181
   17    HA2  GLY   3           HA1      GLY   3  56.606  -5.775 -11.863
   18    HA3  GLY   3           HA2      GLY   3  55.609  -6.750 -10.766
   19    H    SER   4           HN       SER   4  56.626  -3.306 -10.886
   20    HA   SER   4           HA       SER   4  53.878  -2.427 -11.379
   21    HB2  SER   4           HB2      SER   4  55.112  -1.804  -8.669
   22    HB3  SER   4           HB1      SER   4  53.531  -1.261  -9.275
   23    HG   SER   4           HG       SER   4  54.094  -3.489  -7.984
   24    H    PHE   5           HN       PHE   5  53.716  -0.154 -11.718
   25    HA   PHE   5           HA       PHE   5  56.167   0.960 -12.822
   26    HB2  PHE   5           HB2      PHE   5  53.562   2.442 -12.324
   27    HB3  PHE   5           HB1      PHE   5  54.795   2.761 -13.570
   28    HD1  PHE   5           HD1      PHE   5  55.083   1.206 -15.491
   29    HD2  PHE   5           HD2      PHE   5  51.930   0.664 -12.595
   30    HE1  PHE   5           HE1      PHE   5  53.922  -0.357 -17.046
   31    HE2  PHE   5           HE2      PHE   5  50.770  -0.899 -14.151
   32    HZ   PHE   5           HZ       PHE   5  51.819  -1.486 -16.332
   33    H    PHE   6           HN       PHE   6  54.324   1.351  -9.829
   34    HA   PHE   6           HA       PHE   6  56.592   2.623  -8.544
   35    HB2  PHE   6           HB2      PHE   6  55.571   4.517  -9.933
   36    HB3  PHE   6           HB1      PHE   6  54.145   4.399  -8.877
   37    HD1  PHE   6           HD1      PHE   6  57.812   5.090  -8.958
   38    HD2  PHE   6           HD2      PHE   6  54.195   5.231  -6.607
   39    HE1  PHE   6           HE1      PHE   6  58.980   6.468  -7.243
   40    HE2  PHE   6           HE2      PHE   6  55.365   6.610  -4.891
   41    HZ   PHE   6           HZ       PHE   6  57.744   7.265  -5.233
   42    H    LYS   7           HN       LYS   7  55.931   3.444  -6.290
   43    HA   LYS   7           HA       LYS   7  54.597   1.293  -4.946
   44    HB2  LYS   7           HB2      LYS   7  55.288   4.113  -4.031
   45    HB3  LYS   7           HB1      LYS   7  54.706   2.819  -2.955
   46    HG2  LYS   7           HG2      LYS   7  56.627   1.417  -3.527
   47    HG3  LYS   7           HG1      LYS   7  57.185   2.618  -4.717
   48    HD2  LYS   7           HD2      LYS   7  57.395   4.297  -2.865
   49    HD3  LYS   7           HD1      LYS   7  56.961   3.020  -1.703
   50    HE2  LYS   7           HE2      LYS   7  58.911   1.676  -2.481
   51    HE3  LYS   7           HE1      LYS   7  59.361   2.995  -3.587
   52    HZ1  LYS   7           HZ1      LYS   7  58.915   3.845  -0.865
   53    HZ2  LYS   7           HZ2      LYS   7  60.203   4.193  -1.918
   54    HZ3  LYS   7           HZ3      LYS   7  60.198   2.748  -1.024
   55    H    LYS   8           HN       LYS   8  52.512   0.839  -4.810
   56    HA   LYS   8           HA       LYS   8  50.450   2.487  -5.847
   57    HB2  LYS   8           HB2      LYS   8  50.263   0.035  -5.425
   58    HB3  LYS   8           HB1      LYS   8  50.210   0.366  -3.676
   59    HG2  LYS   8           HG2      LYS   8  48.160   1.645  -3.911
   60    HG3  LYS   8           HG1      LYS   8  48.254   1.557  -5.687
   61    HD2  LYS   8           HD2      LYS   8  47.969  -0.876  -5.621
   62    HD3  LYS   8           HD1      LYS   8  47.987  -0.856  -3.840
   63    HE2  LYS   8           HE2      LYS   8  45.971   0.675  -3.917
   64    HE3  LYS   8           HE1      LYS   8  45.905   0.405  -5.676
   65    HZ1  LYS   8           HZ1      LYS   8  44.596  -1.112  -3.971
   66    HZ2  LYS   8           HZ2      LYS   8  46.074  -1.953  -3.947
   67    HZ3  LYS   8           HZ3      LYS   8  45.241  -1.734  -5.412
   68    H    ALA   9           HN       ALA   9  51.639   2.074  -2.501
   69    HA   ALA   9           HA       ALA   9  49.669   3.809  -1.315
   70    HB1  ALA   9           HB1      ALA   9  51.082   3.752   0.643
   71    HB2  ALA   9           HB2      ALA   9  52.475   3.208  -0.324
   72    HB3  ALA   9           HB3      ALA   9  51.074   2.132  -0.094
   73    H    ALA  10           HN       ALA  10  49.967   5.923  -0.424
   74    HA   ALA  10           HA       ALA  10  52.233   7.567  -1.076
   75    HB1  ALA  10           HB1      ALA  10  51.524   7.446  -3.365
   76    HB2  ALA  10           HB2      ALA  10  51.040   9.045  -2.749
   77    HB3  ALA  10           HB3      ALA  10  49.829   7.751  -2.919
   78    H    HIS  11           HN       HIS  11  49.794   6.790   0.775
   79    HA   HIS  11           HA       HIS  11  48.270   9.129   1.266
   80    HB2  HIS  11           HB2      HIS  11  49.250   7.012   3.222
   81    HB3  HIS  11           HB1      HIS  11  47.958   8.193   3.550
   82    HD1  HIS  11           HD1      HIS  11  48.337   4.801   2.546
   83    HD2  HIS  11           HD2      HIS  11  45.988   7.974   1.099
   84    HE1  HIS  11           HE1      HIS  11  46.390   3.777   1.247
   85    H    ALA  12           HN       ALA  12  49.009  11.113   1.617
   86    HA   ALA  12           HA       ALA  12  51.639  11.727   2.529
   87    HB1  ALA  12           HB1      ALA  12  50.836  13.999   2.756
   88    HB2  ALA  12           HB2      ALA  12  49.146  13.440   2.800
   89    HB3  ALA  12           HB3      ALA  12  50.102  13.275   1.307
   90    H    GLY  13           HN       GLY  13  48.524  11.496   4.270
   91    HA2  GLY  13           HA1      GLY  13  49.877  10.759   6.722
   92    HA3  GLY  13           HA2      GLY  13  49.309  12.440   6.777
   93    H    LYS  14           HN       LYS  14  46.932  12.458   5.546
   94    HA   LYS  14           HA       LYS  14  45.249  10.212   6.307
   95    HB2  LYS  14           HB2      LYS  14  45.769  11.271   8.547
   96    HB3  LYS  14           HB1      LYS  14  44.944  12.739   7.970
   97    HG2  LYS  14           HG2      LYS  14  42.870  11.476   7.612
   98    HG3  LYS  14           HG1      LYS  14  43.684   9.964   8.083
   99    HD2  LYS  14           HD2      LYS  14  44.128  10.909  10.336
  100    HD3  LYS  14           HD1      LYS  14  43.288  12.407   9.867
  101    HE2  LYS  14           HE2      LYS  14  41.214  11.105   9.448
  102    HE3  LYS  14           HE1      LYS  14  42.055   9.618   9.948
  103    HZ1  LYS  14           HZ1      LYS  14  40.688  10.792  11.702
  104    HZ2  LYS  14           HZ2      LYS  14  41.873  12.009  11.698
  105    HZ3  LYS  14           HZ3      LYS  14  42.286  10.418  12.128
  106    H    HIS  15           HN       HIS  15  43.429  10.251   5.127
  107    HA   HIS  15           HA       HIS  15  41.945  11.007   3.508
  108    HB2  HIS  15           HB2      HIS  15  41.070  12.181   5.530
  109    HB3  HIS  15           HB1      HIS  15  42.085  13.586   5.121
  110    HD1  HIS  15           HD1      HIS  15  40.744  15.346   3.987
  111    HD2  HIS  15           HD2      HIS  15  39.431  11.484   2.969
  112    HE1  HIS  15           HE1      HIS  15  38.850  15.608   2.292
  113    H    ALA  16           HN       ALA  16  44.988  11.720   3.386
  114    HA   ALA  16           HA       ALA  16  46.383  12.878   1.935
  115    HB1  ALA  16           HB1      ALA  16  43.886  12.664   0.221
  116    HB2  ALA  16           HB2      ALA  16  45.256  11.528   0.275
  117    HB3  ALA  16           HB3      ALA  16  45.483  13.166  -0.385
  118    H    GLY  17           HN       GLY  17  44.926  14.463   3.860
  119    HA2  GLY  17           HA1      GLY  17  44.059  16.901   2.448
  120    HA3  GLY  17           HA2      GLY  17  44.143  16.648   4.203
  121    H    LYS  18           HN       LYS  18  46.820  15.993   2.000
  122    HA   LYS  18           HA       LYS  18  48.925  16.941   1.850
  123    HB2  LYS  18           HB2      LYS  18  47.659  19.541   2.781
  124    HB3  LYS  18           HB1      LYS  18  49.117  19.326   1.785
  125    HG2  LYS  18           HG2      LYS  18  47.725  18.292  -0.003
  126    HG3  LYS  18           HG1      LYS  18  46.271  18.574   0.986
  127    HD2  LYS  18           HD2      LYS  18  46.656  20.994   0.931
  128    HD3  LYS  18           HD1      LYS  18  48.183  20.758   0.047
  129    HE2  LYS  18           HE2      LYS  18  46.475  21.353  -1.570
  130    HE3  LYS  18           HE1      LYS  18  46.853  19.627  -1.786
  131    HZ1  LYS  18           HZ1      LYS  18  44.913  19.460   0.010
  132    HZ2  LYS  18           HZ2      LYS  18  44.618  19.466  -1.664
  133    HZ3  LYS  18           HZ3      LYS  18  44.432  20.893  -0.761
  134    H    ALA  19           HN       ALA  19  47.307  16.521   4.687
  135    HA   ALA  19           HA       ALA  19  49.667  16.351   6.275
  136    HB1  ALA  19           HB1      ALA  19  49.064  18.275   7.876
  137    HB2  ALA  19           HB2      ALA  19  48.083  18.921   6.539
  138    HB3  ALA  19           HB3      ALA  19  49.840  18.720   6.340
  139    H    ALA  20           HN       ALA  20  46.376  17.647   6.900
  140    HA   ALA  20           HA       ALA  20  45.405  15.099   7.902
  141    HB1  ALA  20           HB1      ALA  20  46.812  15.621   9.809
  142    HB2  ALA  20           HB2      ALA  20  45.108  15.852  10.265
  143    HB3  ALA  20           HB3      ALA  20  46.131  17.262   9.907
  144    H    LEU  21           HN       LEU  21  43.574  15.378   6.718
  145    HA   LEU  21           HA       LEU  21  41.522  16.265   6.097
  146    HB2  LEU  21           HB2      LEU  21  41.757  17.173   8.987
  147    HB3  LEU  21           HB1      LEU  21  40.324  17.566   8.011
  148    HG   LEU  21           HG       LEU  21  39.887  15.200   7.602
  149   HD11  LEU  21          HD11      LEU  21  42.553  14.827   9.021
  150   HD12  LEU  21          HD12      LEU  21  42.053  14.220   7.423
  151   HD13  LEU  21          HD13      LEU  21  41.362  13.510   8.899
  152   HD21  LEU  21          HD21      LEU  21  39.289  14.533   9.851
  153   HD22  LEU  21          HD22      LEU  21  39.148  16.306   9.771
  154   HD23  LEU  21          HD23      LEU  21  40.563  15.558  10.554
  155    H    THR  22           HN       THR  22  42.283  18.983   8.252
  156    HA   THR  22           HA       THR  22  43.176  20.695   6.045
  157    HB   THR  22           HB       THR  22  40.568  21.531   7.383
  158    HG1  THR  22           HG1      THR  22  40.155  20.770   4.887
  159   HG21  THR  22          HG21      THR  22  40.459  23.139   5.636
  160   HG22  THR  22          HG22      THR  22  41.653  22.270   4.645
  161   HG23  THR  22          HG23      THR  22  42.173  23.135   6.109
  162    H    HIS  23           HN       HIS  23  44.365  19.884   8.441
  163    HA   HIS  23           HA       HIS  23  43.970  21.968  10.470
  164    HB2  HIS  23           HB2      HIS  23  46.075  19.801  10.109
  165    HB3  HIS  23           HB1      HIS  23  45.997  20.896  11.508
  166    HD1  HIS  23           HD1      HIS  23  42.700  19.938  10.090
  167    HD2  HIS  23           HD2      HIS  23  45.282  18.568  13.113
  168    HE1  HIS  23           HE1      HIS  23  41.377  18.300  11.536
  169    H    TYR  24           HN       TYR  24  45.986  23.156  11.286
  170    HA   TYR  24           HA       TYR  24  47.457  24.897  10.845
  171    HB2  TYR  24           HB2      TYR  24  48.441  23.095   8.600
  172    HB3  TYR  24           HB1      TYR  24  49.359  24.357   9.455
  173    HD1  TYR  24           HD1      TYR  24  49.779  24.097  11.958
  174    HD2  TYR  24           HD2      TYR  24  48.284  20.879   9.500
  175    HE1  TYR  24           HE1      TYR  24  50.451  22.451  13.703
  176    HE2  TYR  24           HE2      TYR  24  48.957  19.233  11.246
  177    HH   TYR  24           HH       TYR  24  49.647  20.132  14.400
  178    H    LEU  25           HN       LEU  25  45.841  26.375  10.175
  179    HA   LEU  25           HA       LEU  25  45.058  26.542   7.372
  180    HB2  LEU  25           HB2      LEU  25  44.839  28.783   9.409
  181    HB3  LEU  25           HB1      LEU  25  43.777  28.427   8.027
  182    HG   LEU  25           HG       LEU  25  44.088  26.751  10.558
  183   HD11  LEU  25          HD11      LEU  25  41.774  28.383   9.422
  184   HD12  LEU  25          HD12      LEU  25  42.746  28.798  10.854
  185   HD13  LEU  25          HD13      LEU  25  41.694  27.362  10.876
  186   HD21  LEU  25          HD21      LEU  25  42.111  25.485   9.478
  187   HD22  LEU  25          HD22      LEU  25  43.715  25.200   8.768
  188   HD23  LEU  25          HD23      LEU  25  42.564  26.292   7.958
  Start of MODEL   22
    1    H1   GLY   1           HT1      GLY   1  63.179   1.851 -14.898
    2    H2   GLY   1           HT2      GLY   1  62.440   0.752 -13.832
    3    H3   GLY   1           HT3      GLY   1  63.360   2.045 -13.224
    4    HA2  GLY   1           HA1      GLY   1  61.525   3.172 -13.031
    5    HA3  GLY   1           HA2      GLY   1  61.530   3.249 -14.804
    6    H    TRP   2           HN       TRP   2  61.172   0.265 -12.946
    7    HA   TRP   2           HA       TRP   2  58.948  -0.678 -14.373
    8    HB2  TRP   2           HB2      TRP   2  59.506  -1.197 -11.428
    9    HB3  TRP   2           HB1      TRP   2  58.619  -2.249 -12.558
   10    HD1  TRP   2           HD1      TRP   2  60.046  -3.429 -14.510
   11    HE1  TRP   2           HE1      TRP   2  62.554  -4.099 -14.662
   12    HE3  TRP   2           HE3      TRP   2  61.888  -0.534 -10.710
   13    HZ2  TRP   2           HZ2      TRP   2  65.006  -3.445 -13.301
   14    HZ3  TRP   2           HZ3      TRP   2  64.314  -0.574 -10.154
   15    HH2  TRP   2           HH2      TRP   2  65.874  -2.026 -11.445
   16    H    GLY   3           HN       GLY   3  59.107   1.862 -12.050
   17    HA2  GLY   3           HA1      GLY   3  57.467   3.235 -11.179
   18    HA3  GLY   3           HA2      GLY   3  56.408   2.652 -12.478
   19    H    SER   4           HN       SER   4  57.679   0.158 -10.509
   20    HA   SER   4           HA       SER   4  55.044  -0.544  -9.547
   21    HB2  SER   4           HB2      SER   4  56.579  -2.331  -9.883
   22    HB3  SER   4           HB1      SER   4  57.844  -1.532  -8.924
   23    HG   SER   4           HG       SER   4  55.689  -1.736  -7.400
   24    H    PHE   5           HN       PHE   5  54.045   0.847  -8.198
   25    HA   PHE   5           HA       PHE   5  55.447   2.359  -6.168
   26    HB2  PHE   5           HB2      PHE   5  53.123   2.833  -5.328
   27    HB3  PHE   5           HB1      PHE   5  53.349   3.182  -7.059
   28    HD1  PHE   5           HD1      PHE   5  52.397   1.693  -8.787
   29    HD2  PHE   5           HD2      PHE   5  51.739   0.967  -4.583
   30    HE1  PHE   5           HE1      PHE   5  50.555   0.112  -9.348
   31    HE2  PHE   5           HE2      PHE   5  49.897  -0.615  -5.145
   32    HZ   PHE   5           HZ       PHE   5  49.353  -1.095  -7.529
   33    H    PHE   6           HN       PHE   6  56.150   1.748  -4.238
   34    HA   PHE   6           HA       PHE   6  55.638  -0.962  -3.281
   35    HB2  PHE   6           HB2      PHE   6  56.984   1.391  -1.893
   36    HB3  PHE   6           HB1      PHE   6  57.071  -0.316  -1.398
   37    HD1  PHE   6           HD1      PHE   6  58.175  -2.003  -2.902
   38    HD2  PHE   6           HD2      PHE   6  58.330   2.234  -3.711
   39    HE1  PHE   6           HE1      PHE   6  60.073  -2.373  -4.472
   40    HE2  PHE   6           HE2      PHE   6  60.229   1.863  -5.281
   41    HZ   PHE   6           HZ       PHE   6  61.137  -0.432  -5.617
   42    H    LYS   7           HN       LYS   7  54.622  -1.580  -1.334
   43    HA   LYS   7           HA       LYS   7  52.150  -0.184  -0.822
   44    HB2  LYS   7           HB2      LYS   7  53.588  -2.405   0.682
   45    HB3  LYS   7           HB1      LYS   7  51.949  -1.830   1.076
   46    HG2  LYS   7           HG2      LYS   7  51.180  -2.393  -1.196
   47    HG3  LYS   7           HG1      LYS   7  52.822  -2.921  -1.635
   48    HD2  LYS   7           HD2      LYS   7  52.695  -4.602   0.261
   49    HD3  LYS   7           HD1      LYS   7  50.979  -4.165   0.448
   50    HE2  LYS   7           HE2      LYS   7  52.286  -5.271  -2.076
   51    HE3  LYS   7           HE1      LYS   7  51.188  -6.153  -0.988
   52    HZ1  LYS   7           HZ1      LYS   7  49.505  -4.409  -1.465
   53    HZ2  LYS   7           HZ2      LYS   7  49.934  -5.332  -2.826
   54    HZ3  LYS   7           HZ3      LYS   7  50.548  -3.759  -2.635
   55    H    LYS   8           HN       LYS   8  51.443   0.909   1.042
   56    HA   LYS   8           HA       LYS   8  53.331   1.566   3.176
   57    HB2  LYS   8           HB2      LYS   8  54.057   3.056   1.246
   58    HB3  LYS   8           HB1      LYS   8  52.464   3.842   1.355
   59    HG2  LYS   8           HG2      LYS   8  52.896   4.453   3.700
   60    HG3  LYS   8           HG1      LYS   8  54.464   3.611   3.648
   61    HD2  LYS   8           HD2      LYS   8  55.239   5.144   1.869
   62    HD3  LYS   8           HD1      LYS   8  53.669   5.982   1.901
   63    HE2  LYS   8           HE2      LYS   8  55.181   7.285   3.256
   64    HE3  LYS   8           HE1      LYS   8  54.083   6.440   4.373
   65    HZ1  LYS   8           HZ1      LYS   8  56.908   6.232   4.135
   66    HZ2  LYS   8           HZ2      LYS   8  56.188   4.709   3.913
   67    HZ3  LYS   8           HZ3      LYS   8  55.884   5.598   5.329
   68    H    ALA   9           HN       ALA   9  50.296   2.141   1.446
   69    HA   ALA   9           HA       ALA   9  48.179   2.668   2.232
   70    HB1  ALA   9           HB1      ALA   9  47.488   1.628   4.286
   71    HB2  ALA   9           HB2      ALA   9  49.167   1.545   4.871
   72    HB3  ALA   9           HB3      ALA   9  48.652   0.540   3.496
   73    H    ALA  10           HN       ALA  10  48.421   4.921   2.055
   74    HA   ALA  10           HA       ALA  10  48.095   6.319   4.586
   75    HB1  ALA  10           HB1      ALA  10  50.564   7.019   2.968
   76    HB2  ALA  10           HB2      ALA  10  50.596   6.028   4.446
   77    HB3  ALA  10           HB3      ALA  10  50.044   7.718   4.519
   78    H    HIS  11           HN       HIS  11  46.143   6.498   3.129
   79    HA   HIS  11           HA       HIS  11  46.100   9.156   2.001
   80    HB2  HIS  11           HB2      HIS  11  47.268   7.996   0.137
   81    HB3  HIS  11           HB1      HIS  11  45.900   6.864   0.008
   82    HD1  HIS  11           HD1      HIS  11  44.265   7.507  -1.749
   83    HD2  HIS  11           HD2      HIS  11  46.048  10.871   0.035
   84    HE1  HIS  11           HE1      HIS  11  43.322   9.576  -2.913
   85    H    ALA  12           HN       ALA  12  44.021   9.903   1.690
   86    HA   ALA  12           HA       ALA  12  41.745   8.158   1.411
   87    HB1  ALA  12           HB1      ALA  12  40.758   8.575   3.676
   88    HB2  ALA  12           HB2      ALA  12  42.335   9.218   4.194
   89    HB3  ALA  12           HB3      ALA  12  42.187   7.515   3.698
   90    H    GLY  13           HN       GLY  13  43.027  11.243   2.649
   91    HA2  GLY  13           HA1      GLY  13  40.591  12.724   2.272
   92    HA3  GLY  13           HA2      GLY  13  42.224  13.404   2.428
   93    H    LYS  14           HN       LYS  14  43.588  13.501   0.524
   94    HA   LYS  14           HA       LYS  14  42.215  13.194  -2.096
   95    HB2  LYS  14           HB2      LYS  14  43.227  15.870  -1.045
   96    HB3  LYS  14           HB1      LYS  14  42.782  15.546  -2.737
   97    HG2  LYS  14           HG2      LYS  14  40.494  14.800  -1.866
   98    HG3  LYS  14           HG1      LYS  14  40.974  15.468  -0.288
   99    HD2  LYS  14           HD2      LYS  14  41.378  17.677  -1.356
  100    HD3  LYS  14           HD1      LYS  14  40.852  17.005  -2.919
  101    HE2  LYS  14           HE2      LYS  14  38.632  16.480  -1.948
  102    HE3  LYS  14           HE1      LYS  14  39.155  17.160  -0.388
  103    HZ1  LYS  14           HZ1      LYS  14  39.643  19.258  -1.681
  104    HZ2  LYS  14           HZ2      LYS  14  38.001  18.867  -1.491
  105    HZ3  LYS  14           HZ3      LYS  14  38.781  18.575  -2.972
  106    H    HIS  15           HN       HIS  15  45.079  14.106  -0.192
  107    HA   HIS  15           HA       HIS  15  46.794  12.537  -1.937
  108    HB2  HIS  15           HB2      HIS  15  46.475  14.616  -3.313
  109    HB3  HIS  15           HB1      HIS  15  47.201  15.551  -1.985
  110    HD1  HIS  15           HD1      HIS  15  48.372  12.082  -3.034
  111    HD2  HIS  15           HD2      HIS  15  49.624  16.083  -3.347
  112    HE1  HIS  15           HE1      HIS  15  50.781  12.061  -3.882
  113    H    ALA  16           HN       ALA  16  46.097  12.735   0.876
  114    HA   ALA  16           HA       ALA  16  48.752  12.580   1.977
  115    HB1  ALA  16           HB1      ALA  16  48.776  14.984   1.893
  116    HB2  ALA  16           HB2      ALA  16  48.513  14.505   3.586
  117    HB3  ALA  16           HB3      ALA  16  47.146  15.077   2.600
  118    H    GLY  17           HN       GLY  17  45.342  13.381   2.747
  119    HA2  GLY  17           HA1      GLY  17  43.857  12.170   4.076
  120    HA3  GLY  17           HA2      GLY  17  45.122  10.965   4.386
  121    H    LYS  18           HN       LYS  18  47.112  12.778   5.374
  122    HA   LYS  18           HA       LYS  18  46.561  12.749   8.122
  123    HB2  LYS  18           HB2      LYS  18  48.329  14.650   6.539
  124    HB3  LYS  18           HB1      LYS  18  48.375  14.469   8.308
  125    HG2  LYS  18           HG2      LYS  18  48.802  11.997   7.965
  126    HG3  LYS  18           HG1      LYS  18  48.962  12.324   6.224
  127    HD2  LYS  18           HD2      LYS  18  50.640  13.625   8.417
  128    HD3  LYS  18           HD1      LYS  18  51.174  12.281   7.380
  129    HE2  LYS  18           HE2      LYS  18  52.056  14.136   6.238
  130    HE3  LYS  18           HE1      LYS  18  50.500  13.927   5.401
  131    HZ1  LYS  18           HZ1      LYS  18  50.250  15.533   7.756
  132    HZ2  LYS  18           HZ2      LYS  18  49.797  15.882   6.156
  133    HZ3  LYS  18           HZ3      LYS  18  51.384  16.188   6.679
  134    H    ALA  19           HN       ALA  19  46.075  15.417   5.784
  135    HA   ALA  19           HA       ALA  19  43.788  16.423   7.215
  136    HB1  ALA  19           HB1      ALA  19  44.819  18.607   7.923
  137    HB2  ALA  19           HB2      ALA  19  46.418  17.885   7.617
  138    HB3  ALA  19           HB3      ALA  19  45.355  17.200   8.870
  139    H    ALA  20           HN       ALA  20  44.023  15.746   4.633
  140    HA   ALA  20           HA       ALA  20  43.791  16.542   2.465
  141    HB1  ALA  20           HB1      ALA  20  42.953  19.045   3.970
  142    HB2  ALA  20           HB2      ALA  20  41.893  17.705   3.470
  143    HB3  ALA  20           HB3      ALA  20  42.663  18.738   2.242
  144    H    LEU  21           HN       LEU  21  45.931  16.445   1.798
  145    HA   LEU  21           HA       LEU  21  47.980  17.287   1.097
  146    HB2  LEU  21           HB2      LEU  21  46.153  19.699   0.830
  147    HB3  LEU  21           HB1      LEU  21  47.870  19.787   0.369
  148    HG   LEU  21           HG       LEU  21  47.580  17.950  -1.225
  149   HD11  LEU  21          HD11      LEU  21  45.957  16.529  -0.215
  150   HD12  LEU  21          HD12      LEU  21  45.137  17.184  -1.650
  151   HD13  LEU  21          HD13      LEU  21  44.778  17.852  -0.039
  152   HD21  LEU  21          HD21      LEU  21  46.190  19.099  -2.847
  153   HD22  LEU  21          HD22      LEU  21  46.999  20.338  -1.858
  154   HD23  LEU  21          HD23      LEU  21  45.290  19.935  -1.559
  155    H    THR  22           HN       THR  22  47.361  17.257   3.974
  156    HA   THR  22           HA       THR  22  48.285  18.027   5.958
  157    HB   THR  22           HB       THR  22  50.514  19.081   4.162
  158    HG1  THR  22           HG1      THR  22  51.041  17.074   3.917
  159   HG21  THR  22          HG21      THR  22  50.706  19.951   6.409
  160   HG22  THR  22          HG22      THR  22  51.874  18.615   6.253
  161   HG23  THR  22          HG23      THR  22  50.336  18.358   7.113
  162    H    HIS  23           HN       HIS  23  46.839  19.562   6.636
  163    HA   HIS  23           HA       HIS  23  46.537  22.162   5.538
  164    HB2  HIS  23           HB2      HIS  23  44.947  21.140   7.133
  165    HB3  HIS  23           HB1      HIS  23  46.164  21.268   8.425
  166    HD1  HIS  23           HD1      HIS  23  45.404  23.903   5.756
  167    HD2  HIS  23           HD2      HIS  23  44.956  23.328   9.898
  168    HE1  HIS  23           HE1      HIS  23  44.654  26.130   6.758
  169    H    TYR  24           HN       TYR  24  47.986  21.572   8.760
  170    HA   TYR  24           HA       TYR  24  50.448  22.962   8.108
  171    HB2  TYR  24           HB2      TYR  24  48.754  24.862   8.190
  172    HB3  TYR  24           HB1      TYR  24  48.526  24.477   9.913
  173    HD1  TYR  24           HD1      TYR  24  50.432  24.692  11.517
  174    HD2  TYR  24           HD2      TYR  24  50.765  25.959   7.404
  175    HE1  TYR  24           HE1      TYR  24  52.472  26.005  12.085
  176    HE2  TYR  24           HE2      TYR  24  52.804  27.272   7.973
  177    HH   TYR  24           HH       TYR  24  53.805  28.206  10.695
  178    H    LEU  25           HN       LEU  25  51.929  22.096   9.396
  179    HA   LEU  25           HA       LEU  25  51.132  20.495  11.688
  180    HB2  LEU  25           HB2      LEU  25  53.964  21.416  11.093
  181    HB3  LEU  25           HB1      LEU  25  53.420  19.899  11.850
  182    HG   LEU  25           HG       LEU  25  53.039  20.726   8.937
  183   HD11  LEU  25          HD11      LEU  25  54.537  18.875   8.457
  184   HD12  LEU  25          HD12      LEU  25  54.557  18.386  10.168
  185   HD13  LEU  25          HD13      LEU  25  55.320  19.915   9.670
  186   HD21  LEU  25          HD21      LEU  25  51.064  19.504   9.546
  187   HD22  LEU  25          HD22      LEU  25  51.991  18.360  10.548
  188   HD23  LEU  25          HD23      LEU  25  52.136  18.314   8.774
  Start of MODEL   23
    1    H1   GLY   1           HT1      GLY   1  59.315  -4.415  -9.498
    2    H2   GLY   1           HT2      GLY   1  58.649  -2.860  -9.344
    3    H3   GLY   1           HT3      GLY   1  59.900  -3.148 -10.458
    4    HA2  GLY   1           HA1      GLY   1  57.849  -2.968 -11.601
    5    HA3  GLY   1           HA2      GLY   1  58.488  -4.620 -11.702
    6    H    TRP   2           HN       TRP   2  56.966  -3.118  -8.864
    7    HA   TRP   2           HA       TRP   2  54.356  -4.274  -9.335
    8    HB2  TRP   2           HB2      TRP   2  55.705  -6.358  -8.893
    9    HB3  TRP   2           HB1      TRP   2  56.071  -5.715  -7.274
   10    HD1  TRP   2           HD1      TRP   2  53.069  -6.783  -9.450
   11    HE1  TRP   2           HE1      TRP   2  51.098  -7.483  -7.904
   12    HE3  TRP   2           HE3      TRP   2  55.117  -5.550  -4.923
   13    HZ2  TRP   2           HZ2      TRP   2  50.521  -7.492  -5.083
   14    HZ3  TRP   2           HZ3      TRP   2  53.838  -5.913  -2.817
   15    HH2  TRP   2           HH2      TRP   2  51.544  -6.883  -2.893
   16    H    GLY   3           HN       GLY   3  56.607  -2.381  -7.699
   17    HA2  GLY   3           HA1      GLY   3  54.533  -1.047  -6.187
   18    HA3  GLY   3           HA2      GLY   3  55.570  -2.022  -5.128
   19    H    SER   4           HN       SER   4  57.452  -1.176  -7.711
   20    HA   SER   4           HA       SER   4  58.999   0.695  -6.143
   21    HB2  SER   4           HB2      SER   4  60.442   0.822  -8.057
   22    HB3  SER   4           HB1      SER   4  59.865  -0.858  -7.959
   23    HG   SER   4           HG       SER   4  59.374  -0.411  -9.987
   24    H    PHE   5           HN       PHE   5  57.943   2.538  -5.568
   25    HA   PHE   5           HA       PHE   5  56.918   4.605  -5.831
   26    HB2  PHE   5           HB2      PHE   5  58.457   4.455  -8.453
   27    HB3  PHE   5           HB1      PHE   5  57.673   5.927  -7.827
   28    HD1  PHE   5           HD1      PHE   5  60.435   3.508  -7.355
   29    HD2  PHE   5           HD2      PHE   5  58.519   7.056  -5.814
   30    HE1  PHE   5           HE1      PHE   5  62.420   3.955  -5.917
   31    HE2  PHE   5           HE2      PHE   5  60.504   7.503  -4.375
   32    HZ   PHE   5           HZ       PHE   5  62.435   5.927  -4.393
   33    H    PHE   6           HN       PHE   6  55.588   6.015  -7.497
   34    HA   PHE   6           HA       PHE   6  53.541   6.146  -8.584
   35    HB2  PHE   6           HB2      PHE   6  54.481   3.682 -10.097
   36    HB3  PHE   6           HB1      PHE   6  53.342   4.932 -10.653
   37    HD1  PHE   6           HD1      PHE   6  54.165   7.295 -11.025
   38    HD2  PHE   6           HD2      PHE   6  56.860   4.008 -10.272
   39    HE1  PHE   6           HE1      PHE   6  56.061   8.646 -11.908
   40    HE2  PHE   6           HE2      PHE   6  58.756   5.362 -11.157
   41    HZ   PHE   6           HZ       PHE   6  58.370   7.712 -11.886
   42    H    LYS   7           HN       LYS   7  51.579   4.689  -9.393
   43    HA   LYS   7           HA       LYS   7  49.816   3.374  -8.667
   44    HB2  LYS   7           HB2      LYS   7  51.972   1.558  -7.524
   45    HB3  LYS   7           HB1      LYS   7  50.316   1.107  -7.999
   46    HG2  LYS   7           HG2      LYS   7  50.844   1.796 -10.351
   47    HG3  LYS   7           HG1      LYS   7  52.524   2.107  -9.850
   48    HD2  LYS   7           HD2      LYS   7  52.852  -0.217  -9.249
   49    HD3  LYS   7           HD1      LYS   7  51.124  -0.574  -9.487
   50    HE2  LYS   7           HE2      LYS   7  52.387  -1.331 -11.446
   51    HE3  LYS   7           HE1      LYS   7  51.365   0.053 -11.899
   52    HZ1  LYS   7           HZ1      LYS   7  53.175   1.141 -12.519
   53    HZ2  LYS   7           HZ2      LYS   7  54.149  -0.189 -12.105
   54    HZ3  LYS   7           HZ3      LYS   7  53.826   1.022 -10.957
   55    H    LYS   8           HN       LYS   8  49.164   1.920  -6.529
   56    HA   LYS   8           HA       LYS   8  48.751   3.882  -4.495
   57    HB2  LYS   8           HB2      LYS   8  47.959   1.935  -3.124
   58    HB3  LYS   8           HB1      LYS   8  47.231   2.008  -4.747
   59    HG2  LYS   8           HG2      LYS   8  48.956   0.379  -5.554
   60    HG3  LYS   8           HG1      LYS   8  49.573   0.251  -3.889
   61    HD2  LYS   8           HD2      LYS   8  47.303  -0.485  -3.137
   62    HD3  LYS   8           HD1      LYS   8  46.755  -0.442  -4.829
   63    HE2  LYS   8           HE2      LYS   8  49.109  -2.109  -3.844
   64    HE3  LYS   8           HE1      LYS   8  47.456  -2.738  -4.042
   65    HZ1  LYS   8           HZ1      LYS   8  49.437  -2.059  -6.051
   66    HZ2  LYS   8           HZ2      LYS   8  47.859  -1.539  -6.402
   67    HZ3  LYS   8           HZ3      LYS   8  48.169  -3.183  -6.109
   68    H    ALA   9           HN       ALA   9  49.361   3.613  -2.172
   69    HA   ALA   9           HA       ALA   9  51.788   2.186  -1.502
   70    HB1  ALA   9           HB1      ALA   9  52.915   3.846  -2.827
   71    HB2  ALA   9           HB2      ALA   9  53.186   4.248  -1.114
   72    HB3  ALA   9           HB3      ALA   9  51.990   5.162  -2.065
   73    H    ALA  10           HN       ALA  10  50.542   5.445  -0.642
   74    HA   ALA  10           HA       ALA  10  49.265   4.456   1.784
   75    HB1  ALA  10           HB1      ALA  10  50.784   5.741   3.335
   76    HB2  ALA  10           HB2      ALA  10  51.930   5.895   1.982
   77    HB3  ALA  10           HB3      ALA  10  51.514   4.285   2.619
   78    H    HIS  11           HN       HIS  11  50.316   6.951  -0.395
   79    HA   HIS  11           HA       HIS  11  49.221   9.234   0.925
   80    HB2  HIS  11           HB2      HIS  11  49.247   8.792  -2.081
   81    HB3  HIS  11           HB1      HIS  11  49.375  10.329  -1.191
   82    HD1  HIS  11           HD1      HIS  11  51.464   9.380   0.972
   83    HD2  HIS  11           HD2      HIS  11  51.839   8.838  -3.182
   84    HE1  HIS  11           HE1      HIS  11  53.946   9.053   0.468
   85    H    ALA  12           HN       ALA  12  47.218   8.973   1.829
   86    HA   ALA  12           HA       ALA  12  44.958   9.172   0.019
   87    HB1  ALA  12           HB1      ALA  12  45.352   6.586   1.557
   88    HB2  ALA  12           HB2      ALA  12  45.225   6.785  -0.208
   89    HB3  ALA  12           HB3      ALA  12  43.810   7.093   0.828
   90    H    GLY  13           HN       GLY  13  44.935  11.100   1.373
   91    HA2  GLY  13           HA1      GLY  13  44.134  12.326   3.165
   92    HA3  GLY  13           HA2      GLY  13  42.936  11.030   3.337
   93    H    LYS  14           HN       LYS  14  46.443  11.520   3.969
   94    HA   LYS  14           HA       LYS  14  46.126  11.159   6.814
   95    HB2  LYS  14           HB2      LYS  14  45.701   8.808   6.112
   96    HB3  LYS  14           HB1      LYS  14  47.286   8.779   5.307
   97    HG2  LYS  14           HG2      LYS  14  48.434   9.159   7.423
   98    HG3  LYS  14           HG1      LYS  14  46.885   9.397   8.265
   99    HD2  LYS  14           HD2      LYS  14  46.234   7.068   7.754
  100    HD3  LYS  14           HD1      LYS  14  47.769   6.824   6.885
  101    HE2  LYS  14           HE2      LYS  14  47.920   5.931   9.184
  102    HE3  LYS  14           HE1      LYS  14  49.023   7.313   8.972
  103    HZ1  LYS  14           HZ1      LYS  14  47.815   8.596  10.355
  104    HZ2  LYS  14           HZ2      LYS  14  47.291   7.106  10.983
  105    HZ3  LYS  14           HZ3      LYS  14  46.325   7.949   9.868
  106    H    HIS  15           HN       HIS  15  48.661   9.797   4.694
  107    HA   HIS  15           HA       HIS  15  50.691  11.417   6.058
  108    HB2  HIS  15           HB2      HIS  15  51.011   9.038   5.213
  109    HB3  HIS  15           HB1      HIS  15  51.011   9.703   3.563
  110    HD1  HIS  15           HD1      HIS  15  52.509  11.817   6.267
  111    HD2  HIS  15           HD2      HIS  15  53.845   8.978   3.468
  112    HE1  HIS  15           HE1      HIS  15  55.051  12.030   6.119
  113    H    ALA  16           HN       ALA  16  48.578  11.835   3.406
  114    HA   ALA  16           HA       ALA  16  50.247  13.413   1.678
  115    HB1  ALA  16           HB1      ALA  16  48.165  14.141   0.666
  116    HB2  ALA  16           HB2      ALA  16  47.243  13.604   2.093
  117    HB3  ALA  16           HB3      ALA  16  48.050  12.407   1.049
  118    H    GLY  17           HN       GLY  17  48.180  14.202   4.470
  119    HA2  GLY  17           HA1      GLY  17  49.695  16.657   4.924
  120    HA3  GLY  17           HA2      GLY  17  48.047  16.959   4.337
  121    H    LYS  18           HN       LYS  18  49.241  14.358   6.470
  122    HA   LYS  18           HA       LYS  18  48.577  13.761   8.609
  123    HB2  LYS  18           HB2      LYS  18  48.052  16.722   9.044
  124    HB3  LYS  18           HB1      LYS  18  48.471  15.496  10.265
  125    HG2  LYS  18           HG2      LYS  18  50.654  15.135   8.994
  126    HG3  LYS  18           HG1      LYS  18  50.241  16.578   8.034
  127    HD2  LYS  18           HD2      LYS  18  50.088  17.912  10.129
  128    HD3  LYS  18           HD1      LYS  18  50.550  16.472  11.068
  129    HE2  LYS  18           HE2      LYS  18  52.566  17.746  10.737
  130    HE3  LYS  18           HE1      LYS  18  52.659  16.355   9.630
  131    HZ1  LYS  18           HZ1      LYS  18  53.248  18.278   8.404
  132    HZ2  LYS  18           HZ2      LYS  18  51.907  19.156   8.970
  133    HZ3  LYS  18           HZ3      LYS  18  51.685  17.856   7.899
  134    H    ALA  19           HN       ALA  19  46.660  13.094   6.985
  135    HA   ALA  19           HA       ALA  19  44.370  12.804   6.736
  136    HB1  ALA  19           HB1      ALA  19  43.093  12.670   8.820
  137    HB2  ALA  19           HB2      ALA  19  44.380  13.546   9.682
  138    HB3  ALA  19           HB3      ALA  19  44.694  11.923   9.023
  139    H    ALA  20           HN       ALA  20  44.857  15.043   5.548
  140    HA   ALA  20           HA       ALA  20  42.479  16.622   5.968
  141    HB1  ALA  20           HB1      ALA  20  45.117  17.863   6.822
  142    HB2  ALA  20           HB2      ALA  20  43.711  17.531   7.863
  143    HB3  ALA  20           HB3      ALA  20  43.599  18.757   6.577
  144    H    LEU  21           HN       LEU  21  45.663  16.144   4.568
  145    HA   LEU  21           HA       LEU  21  46.389  16.456   2.394
  146    HB2  LEU  21           HB2      LEU  21  43.843  15.827   1.968
  147    HB3  LEU  21           HB1      LEU  21  43.695  17.537   1.517
  148    HG   LEU  21           HG       LEU  21  45.600  15.486   0.301
  149   HD11  LEU  21          HD11      LEU  21  43.231  17.036  -0.837
  150   HD12  LEU  21          HD12      LEU  21  43.242  15.303  -0.428
  151   HD13  LEU  21          HD13      LEU  21  44.269  15.912  -1.748
  152   HD21  LEU  21          HD21      LEU  21  45.332  18.499  -0.058
  153   HD22  LEU  21          HD22      LEU  21  46.038  17.463  -1.322
  154   HD23  LEU  21          HD23      LEU  21  46.800  17.553   0.282
  155    H    THR  22           HN       THR  22  43.904  19.043   2.662
  156    HA   THR  22           HA       THR  22  45.532  21.065   1.525
  157    HB   THR  22           HB       THR  22  43.974  22.677   2.674
  158    HG1  THR  22           HG1      THR  22  43.460  21.712   4.546
  159   HG21  THR  22          HG21      THR  22  43.364  21.683   0.513
  160   HG22  THR  22          HG22      THR  22  41.918  21.831   1.542
  161   HG23  THR  22          HG23      THR  22  42.708  20.249   1.336
  162    H    HIS  23           HN       HIS  23  45.606  19.619   4.678
  163    HA   HIS  23           HA       HIS  23  46.845  20.118   6.578
  164    HB2  HIS  23           HB2      HIS  23  48.675  19.729   4.928
  165    HB3  HIS  23           HB1      HIS  23  48.686  21.472   4.567
  166    HD1  HIS  23           HD1      HIS  23  50.218  22.863   5.959
  167    HD2  HIS  23           HD2      HIS  23  49.139  19.288   7.894
  168    HE1  HIS  23           HE1      HIS  23  51.529  22.757   8.150
  169    H    TYR  24           HN       TYR  24  44.946  21.610   7.023
  170    HA   TYR  24           HA       TYR  24  45.013  24.388   6.579
  171    HB2  TYR  24           HB2      TYR  24  43.661  24.544   8.697
  172    HB3  TYR  24           HB1      TYR  24  43.066  23.323   7.546
  173    HD1  TYR  24           HD1      TYR  24  44.839  23.867  10.761
  174    HD2  TYR  24           HD2      TYR  24  43.269  20.934   8.013
  175    HE1  TYR  24           HE1      TYR  24  45.092  22.103  12.500
  176    HE2  TYR  24           HE2      TYR  24  43.522  19.168   9.753
  177    HH   TYR  24           HH       TYR  24  44.125  19.764  12.986
  178    H    LEU  25           HN       LEU  25  45.248  26.037   8.455
  179    HA   LEU  25           HA       LEU  25  47.395  25.500  10.361
  180    HB2  LEU  25           HB2      LEU  25  48.813  27.451   9.248
  181    HB3  LEU  25           HB1      LEU  25  48.980  25.780   8.662
  182    HG   LEU  25           HG       LEU  25  47.431  26.214   6.821
  183   HD11  LEU  25          HD11      LEU  25  46.698  28.673   6.486
  184   HD12  LEU  25          HD12      LEU  25  47.110  28.909   8.202
  185   HD13  LEU  25          HD13      LEU  25  45.843  27.747   7.738
  186   HD21  LEU  25          HD21      LEU  25  49.881  26.853   6.649
  187   HD22  LEU  25          HD22      LEU  25  49.406  28.527   7.023
  188   HD23  LEU  25          HD23      LEU  25  48.809  27.742   5.541
  Start of MODEL   24
    1    H1   GLY   1           HT1      GLY   1  58.070   2.255 -13.560
    2    H2   GLY   1           HT2      GLY   1  58.309   1.817 -15.184
    3    H3   GLY   1           HT3      GLY   1  58.960   0.863 -13.937
    4    HA2  GLY   1           HA1      GLY   1  56.080   1.343 -14.161
    5    HA3  GLY   1           HA2      GLY   1  56.882   0.064 -15.093
    6    H    TRP   2           HN       TRP   2  56.469  -1.831 -14.187
    7    HA   TRP   2           HA       TRP   2  55.850  -2.133 -11.386
    8    HB2  TRP   2           HB2      TRP   2  55.963  -4.555 -11.862
    9    HB3  TRP   2           HB1      TRP   2  55.034  -3.695 -13.112
   10    HD1  TRP   2           HD1      TRP   2  58.194  -5.694 -12.558
   11    HE1  TRP   2           HE1      TRP   2  59.401  -6.117 -14.823
   12    HE3  TRP   2           HE3      TRP   2  55.428  -2.584 -15.539
   13    HZ2  TRP   2           HZ2      TRP   2  59.171  -5.209 -17.546
   14    HZ3  TRP   2           HZ3      TRP   2  55.940  -2.379 -17.968
   15    HH2  TRP   2           HH2      TRP   2  57.806  -3.687 -18.972
   16    H    GLY   3           HN       GLY   3  58.812  -2.330 -13.293
   17    HA2  GLY   3           HA1      GLY   3  60.482  -3.781 -11.588
   18    HA3  GLY   3           HA2      GLY   3  61.017  -2.416 -12.588
   19    H    SER   4           HN       SER   4  60.152  -0.200 -11.586
   20    HA   SER   4           HA       SER   4  61.545   0.005  -9.033
   21    HB2  SER   4           HB2      SER   4  59.828   2.092 -10.427
   22    HB3  SER   4           HB1      SER   4  61.086   2.373  -9.203
   23    HG   SER   4           HG       SER   4  61.467   1.201 -11.776
   24    H    PHE   5           HN       PHE   5  60.087  -1.634  -7.974
   25    HA   PHE   5           HA       PHE   5  57.361  -1.165  -7.420
   26    HB2  PHE   5           HB2      PHE   5  59.406  -2.316  -5.482
   27    HB3  PHE   5           HB1      PHE   5  57.652  -2.620  -5.502
   28    HD1  PHE   5           HD1      PHE   5  56.614  -3.900  -7.378
   29    HD2  PHE   5           HD2      PHE   5  60.891  -3.433  -7.039
   30    HE1  PHE   5           HE1      PHE   5  56.945  -5.764  -8.998
   31    HE2  PHE   5           HE2      PHE   5  61.223  -5.299  -8.658
   32    HZ   PHE   5           HZ       PHE   5  59.249  -6.418  -9.688
   33    H    PHE   6           HN       PHE   6  56.734   0.899  -6.970
   34    HA   PHE   6           HA       PHE   6  58.175   2.564  -5.064
   35    HB2  PHE   6           HB2      PHE   6  55.417   2.799  -6.328
   36    HB3  PHE   6           HB1      PHE   6  56.151   4.042  -5.287
   37    HD1  PHE   6           HD1      PHE   6  58.301   5.149  -5.979
   38    HD2  PHE   6           HD2      PHE   6  56.124   2.518  -8.618
   39    HE1  PHE   6           HE1      PHE   6  59.576   6.045  -7.923
   40    HE2  PHE   6           HE2      PHE   6  57.399   3.414 -10.562
   41    HZ   PHE   6           HZ       PHE   6  59.155   5.146 -10.209
   42    H    LYS   7           HN       LYS   7  54.915   1.034  -5.004
   43    HA   LYS   7           HA       LYS   7  53.574   0.468  -3.193
   44    HB2  LYS   7           HB2      LYS   7  56.305  -0.156  -1.998
   45    HB3  LYS   7           HB1      LYS   7  54.748  -0.685  -1.316
   46    HG2  LYS   7           HG2      LYS   7  54.253  -2.036  -3.237
   47    HG3  LYS   7           HG1      LYS   7  55.568  -1.302  -4.182
   48    HD2  LYS   7           HD2      LYS   7  56.155  -3.580  -3.325
   49    HD3  LYS   7           HD1      LYS   7  57.248  -2.314  -2.716
   50    HE2  LYS   7           HE2      LYS   7  56.326  -4.056  -1.009
   51    HE3  LYS   7           HE1      LYS   7  56.266  -2.336  -0.557
   52    HZ1  LYS   7           HZ1      LYS   7  53.970  -3.384  -2.021
   53    HZ2  LYS   7           HZ2      LYS   7  54.030  -2.278  -0.731
   54    HZ3  LYS   7           HZ3      LYS   7  54.162  -3.946  -0.432
   55    H    LYS   8           HN       LYS   8  53.405   3.003  -3.248
   56    HA   LYS   8           HA       LYS   8  53.409   3.828  -0.438
   57    HB2  LYS   8           HB2      LYS   8  55.772   4.310  -1.146
   58    HB3  LYS   8           HB1      LYS   8  55.128   5.406  -2.392
   59    HG2  LYS   8           HG2      LYS   8  54.043   6.781  -0.677
   60    HG3  LYS   8           HG1      LYS   8  54.568   5.653   0.595
   61    HD2  LYS   8           HD2      LYS   8  56.907   6.160   0.172
   62    HD3  LYS   8           HD1      LYS   8  56.482   7.139  -1.252
   63    HE2  LYS   8           HE2      LYS   8  55.546   7.753   1.583
   64    HE3  LYS   8           HE1      LYS   8  56.961   8.509   0.813
   65    HZ1  LYS   8           HZ1      LYS   8  55.105   9.933   0.486
   66    HZ2  LYS   8           HZ2      LYS   8  54.125   8.661  -0.072
   67    HZ3  LYS   8           HZ3      LYS   8  55.434   9.205  -1.010
   68    H    ALA   9           HN       ALA   9  51.230   4.166  -0.640
   69    HA   ALA   9           HA       ALA   9  50.433   6.707  -1.774
   70    HB1  ALA   9           HB1      ALA   9  50.589   5.267  -3.841
   71    HB2  ALA   9           HB2      ALA   9  48.979   5.963  -3.536
   72    HB3  ALA   9           HB3      ALA   9  49.298   4.254  -3.154
   73    H    ALA  10           HN       ALA  10  48.855   7.443  -0.510
   74    HA   ALA  10           HA       ALA  10  46.640   5.743   0.315
   75    HB1  ALA  10           HB1      ALA  10  48.620   6.614   2.448
   76    HB2  ALA  10           HB2      ALA  10  48.389   4.945   1.873
   77    HB3  ALA  10           HB3      ALA  10  47.070   5.786   2.722
   78    H    HIS  11           HN       HIS  11  45.323   6.950   2.094
   79    HA   HIS  11           HA       HIS  11  45.654   9.811   2.298
   80    HB2  HIS  11           HB2      HIS  11  43.597  10.394   0.925
   81    HB3  HIS  11           HB1      HIS  11  45.028   9.919  -0.019
   82    HD1  HIS  11           HD1      HIS  11  45.078   7.072  -0.366
   83    HD2  HIS  11           HD2      HIS  11  41.396   9.082  -0.079
   84    HE1  HIS  11           HE1      HIS  11  43.291   5.531  -1.346
   85    H    ALA  12           HN       ALA  12  45.255   7.824   4.159
   86    HA   ALA  12           HA       ALA  12  42.486   7.403   4.820
   87    HB1  ALA  12           HB1      ALA  12  44.827   7.476   6.746
   88    HB2  ALA  12           HB2      ALA  12  44.482   6.098   5.672
   89    HB3  ALA  12           HB3      ALA  12  43.301   6.577   6.915
   90    H    GLY  13           HN       GLY  13  41.700   9.613   4.394
   91    HA2  GLY  13           HA1      GLY  13  41.093  10.975   6.790
   92    HA3  GLY  13           HA2      GLY  13  42.480  11.811   6.065
   93    H    LYS  14           HN       LYS  14  42.277  12.727   3.949
   94    HA   LYS  14           HA       LYS  14  39.733  12.757   2.576
   95    HB2  LYS  14           HB2      LYS  14  39.221  14.158   4.636
   96    HB3  LYS  14           HB1      LYS  14  40.421  15.330   4.042
   97    HG2  LYS  14           HG2      LYS  14  39.162  15.621   1.958
   98    HG3  LYS  14           HG1      LYS  14  37.998  14.370   2.456
   99    HD2  LYS  14           HD2      LYS  14  37.503  15.795   4.508
  100    HD3  LYS  14           HD1      LYS  14  38.474  17.084   3.754
  101    HE2  LYS  14           HE2      LYS  14  36.989  17.069   1.782
  102    HE3  LYS  14           HE1      LYS  14  36.034  15.748   2.497
  103    HZ1  LYS  14           HZ1      LYS  14  35.823  18.525   2.952
  104    HZ2  LYS  14           HZ2      LYS  14  36.240  17.764   4.412
  105    HZ3  LYS  14           HZ3      LYS  14  34.854  17.273   3.561
  106    H    HIS  15           HN       HIS  15  42.215  15.260   3.290
  107    HA   HIS  15           HA       HIS  15  42.511  15.940   0.498
  108    HB2  HIS  15           HB2      HIS  15  43.021  17.481   2.400
  109    HB3  HIS  15           HB1      HIS  15  44.428  16.468   2.804
  110    HD1  HIS  15           HD1      HIS  15  46.154  16.081   0.652
  111    HD2  HIS  15           HD2      HIS  15  43.583  19.403   0.490
  112    HE1  HIS  15           HE1      HIS  15  47.134  17.720  -1.044
  113    H    ALA  16           HN       ALA  16  44.829  14.399   2.779
  114    HA   ALA  16           HA       ALA  16  45.586  12.392   0.809
  115    HB1  ALA  16           HB1      ALA  16  46.741  14.429  -0.083
  116    HB2  ALA  16           HB2      ALA  16  47.857  13.127   0.400
  117    HB3  ALA  16           HB3      ALA  16  47.631  14.545   1.454
  118    H    GLY  17           HN       GLY  17  45.415  13.739   3.881
  119    HA2  GLY  17           HA1      GLY  17  46.196  11.348   5.198
  120    HA3  GLY  17           HA2      GLY  17  47.578  12.460   5.231
  121    H    LYS  18           HN       LYS  18  44.032  12.942   5.484
  122    HA   LYS  18           HA       LYS  18  42.787  14.054   7.089
  123    HB2  LYS  18           HB2      LYS  18  43.766  12.164   8.488
  124    HB3  LYS  18           HB1      LYS  18  44.999  13.321   9.041
  125    HG2  LYS  18           HG2      LYS  18  43.152  14.851   9.800
  126    HG3  LYS  18           HG1      LYS  18  41.979  13.582   9.370
  127    HD2  LYS  18           HD2      LYS  18  43.250  12.014  10.911
  128    HD3  LYS  18           HD1      LYS  18  44.194  13.421  11.457
  129    HE2  LYS  18           HE2      LYS  18  41.209  12.931  11.753
  130    HE3  LYS  18           HE1      LYS  18  42.411  13.220  13.033
  131    HZ1  LYS  18           HZ1      LYS  18  41.364  15.152  11.036
  132    HZ2  LYS  18           HZ2      LYS  18  42.764  15.453  11.952
  133    HZ3  LYS  18           HZ3      LYS  18  41.267  15.238  12.726
  134    H    ALA  19           HN       ALA  19  42.674  16.179   6.760
  135    HA   ALA  19           HA       ALA  19  43.258  18.423   6.792
  136    HB1  ALA  19           HB1      ALA  19  44.919  17.597   9.197
  137    HB2  ALA  19           HB2      ALA  19  43.176  17.957   9.236
  138    HB3  ALA  19           HB3      ALA  19  44.341  19.235   8.815
  139    H    ALA  20           HN       ALA  20  44.817  16.688   5.112
  140    HA   ALA  20           HA       ALA  20  46.802  16.694   3.908
  141    HB1  ALA  20           HB1      ALA  20  46.125  18.901   3.268
  142    HB2  ALA  20           HB2      ALA  20  47.863  18.976   3.644
  143    HB3  ALA  20           HB3      ALA  20  46.671  19.584   4.818
  144    H    LEU  21           HN       LEU  21  47.339  15.335   6.018
  145    HA   LEU  21           HA       LEU  21  48.978  14.723   7.536
  146    HB2  LEU  21           HB2      LEU  21  50.308  15.150   5.345
  147    HB3  LEU  21           HB1      LEU  21  50.825  16.667   6.113
  148    HG   LEU  21           HG       LEU  21  51.453  15.073   8.167
  149   HD11  LEU  21          HD11      LEU  21  51.498  13.166   5.779
  150   HD12  LEU  21          HD12      LEU  21  50.517  12.994   7.253
  151   HD13  LEU  21          HD13      LEU  21  52.286  12.855   7.342
  152   HD21  LEU  21          HD21      LEU  21  53.726  14.778   7.202
  153   HD22  LEU  21          HD22      LEU  21  53.081  16.404   6.870
  154   HD23  LEU  21          HD23      LEU  21  53.085  15.168   5.589
  155    H    THR  22           HN       THR  22  47.242  16.763   8.384
  156    HA   THR  22           HA       THR  22  47.055  18.424   9.993
  157    HB   THR  22           HB       THR  22  48.478  18.235  11.937
  158    HG1  THR  22           HG1      THR  22  50.487  18.244  10.982
  159   HG21  THR  22          HG21      THR  22  46.934  16.310  11.386
  160   HG22  THR  22          HG22      THR  22  48.324  15.860  12.402
  161   HG23  THR  22          HG23      THR  22  48.327  15.472  10.664
  162    H    HIS  23           HN       HIS  23  47.712  19.630   7.788
  163    HA   HIS  23           HA       HIS  23  49.444  21.826   8.685
  164    HB2  HIS  23           HB2      HIS  23  50.269  20.022   6.376
  165    HB3  HIS  23           HB1      HIS  23  50.898  21.671   6.602
  166    HD1  HIS  23           HD1      HIS  23  51.703  18.261   7.387
  167    HD2  HIS  23           HD2      HIS  23  52.057  21.926   9.416
  168    HE1  HIS  23           HE1      HIS  23  53.374  17.920   9.290
  169    H    TYR  24           HN       TYR  24  48.733  23.697   7.871
  170    HA   TYR  24           HA       TYR  24  46.401  23.662   6.131
  171    HB2  TYR  24           HB2      TYR  24  48.111  26.054   6.904
  172    HB3  TYR  24           HB1      TYR  24  46.404  26.052   6.400
  173    HD1  TYR  24           HD1      TYR  24  44.633  25.331   7.921
  174    HD2  TYR  24           HD2      TYR  24  48.775  25.205   9.126
  175    HE1  TYR  24           HE1      TYR  24  43.934  24.995  10.288
  176    HE2  TYR  24           HE2      TYR  24  48.076  24.867  11.493
  177    HH   TYR  24           HH       TYR  24  46.366  24.798  12.911
  178    H    LEU  25           HN       LEU  25  46.666  23.049   4.065
  179    HA   LEU  25           HA       LEU  25  47.525  22.995   1.904
  180    HB2  LEU  25           HB2      LEU  25  47.851  25.905   2.707
  181    HB3  LEU  25           HB1      LEU  25  48.307  25.342   1.083
  182    HG   LEU  25           HG       LEU  25  46.042  24.528   0.671
  183   HD11  LEU  25          HD11      LEU  25  45.308  23.721   2.791
  184   HD12  LEU  25          HD12      LEU  25  44.259  25.118   2.460
  185   HD13  LEU  25          HD13      LEU  25  45.624  25.279   3.592
  186   HD21  LEU  25          HD21      LEU  25  46.032  27.324   1.900
  187   HD22  LEU  25          HD22      LEU  25  44.824  26.691   0.755
  188   HD23  LEU  25          HD23      LEU  25  46.511  26.921   0.234
  Start of MODEL   25
    1    H1   GLY   1           HT1      GLY   1  58.571   4.713  -9.211
    2    H2   GLY   1           HT2      GLY   1  57.427   3.631  -8.572
    3    H3   GLY   1           HT3      GLY   1  57.545   5.211  -7.959
    4    HA2  GLY   1           HA1      GLY   1  57.168   5.524 -10.636
    5    HA3  GLY   1           HA2      GLY   1  56.069   4.219 -10.145
    6    H    TRP   2           HN       TRP   2  54.854   6.386 -11.046
    7    HA   TRP   2           HA       TRP   2  54.386   8.413  -9.030
    8    HB2  TRP   2           HB2      TRP   2  52.458   7.675 -11.255
    9    HB3  TRP   2           HB1      TRP   2  52.748   9.268 -10.517
   10    HD1  TRP   2           HD1      TRP   2  55.940   9.205 -10.627
   11    HE1  TRP   2           HE1      TRP   2  57.163   9.504 -12.899
   12    HE3  TRP   2           HE3      TRP   2  52.128   7.876 -13.778
   13    HZ2  TRP   2           HZ2      TRP   2  56.543   9.200 -15.694
   14    HZ3  TRP   2           HZ3      TRP   2  52.467   7.889 -16.244
   15    HH2  TRP   2           HH2      TRP   2  54.670   8.549 -17.205
   16    H    GLY   3           HN       GLY   3  52.240   8.841  -8.048
   17    HA2  GLY   3           HA1      GLY   3  50.370   8.175  -6.840
   18    HA3  GLY   3           HA2      GLY   3  50.406   6.616  -7.685
   19    H    SER   4           HN       SER   4  53.358   6.418  -6.813
   20    HA   SER   4           HA       SER   4  54.462   5.290  -5.115
   21    HB2  SER   4           HB2      SER   4  54.089   7.523  -4.015
   22    HB3  SER   4           HB1      SER   4  52.618   6.857  -3.272
   23    HG   SER   4           HG       SER   4  53.963   5.235  -2.335
   24    H    PHE   5           HN       PHE   5  53.159   3.419  -6.063
   25    HA   PHE   5           HA       PHE   5  50.906   2.437  -4.505
   26    HB2  PHE   5           HB2      PHE   5  51.315   1.856  -6.902
   27    HB3  PHE   5           HB1      PHE   5  52.747   0.926  -6.401
   28    HD1  PHE   5           HD1      PHE   5  52.526  -1.283  -5.487
   29    HD2  PHE   5           HD2      PHE   5  49.033   1.206  -5.989
   30    HE1  PHE   5           HE1      PHE   5  51.063  -3.229  -4.960
   31    HE2  PHE   5           HE2      PHE   5  47.572  -0.741  -5.461
   32    HZ   PHE   5           HZ       PHE   5  48.586  -2.960  -4.952
   33    H    PHE   6           HN       PHE   6  54.121   0.925  -5.036
   34    HA   PHE   6           HA       PHE   6  55.413  -0.371  -3.614
   35    HB2  PHE   6           HB2      PHE   6  55.488   1.873  -2.430
   36    HB3  PHE   6           HB1      PHE   6  54.185   1.279  -1.373
   37    HD1  PHE   6           HD1      PHE   6  57.649   0.482  -2.592
   38    HD2  PHE   6           HD2      PHE   6  54.691  -0.117   0.495
   39    HE1  PHE   6           HE1      PHE   6  59.340  -0.707  -1.201
   40    HE2  PHE   6           HE2      PHE   6  56.383  -1.305   1.885
   41    HZ   PHE   6           HZ       PHE   6  58.719  -1.560   1.056
   42    H    LYS   7           HN       LYS   7  55.346  -1.792  -1.557
   43    HA   LYS   7           HA       LYS   7  53.136  -3.611  -1.870
   44    HB2  LYS   7           HB2      LYS   7  55.369  -4.345  -1.143
   45    HB3  LYS   7           HB1      LYS   7  55.208  -3.389   0.349
   46    HG2  LYS   7           HG2      LYS   7  53.399  -4.757   1.144
   47    HG3  LYS   7           HG1      LYS   7  53.218  -5.556  -0.436
   48    HD2  LYS   7           HD2      LYS   7  54.408  -7.028   1.153
   49    HD3  LYS   7           HD1      LYS   7  55.474  -6.558  -0.190
   50    HE2  LYS   7           HE2      LYS   7  56.699  -5.035   1.156
   51    HE3  LYS   7           HE1      LYS   7  55.427  -4.969   2.402
   52    HZ1  LYS   7           HZ1      LYS   7  57.087  -7.354   1.751
   53    HZ2  LYS   7           HZ2      LYS   7  55.895  -7.266   2.958
   54    HZ3  LYS   7           HZ3      LYS   7  57.310  -6.335   3.088
   55    H    LYS   8           HN       LYS   8  51.190  -3.675  -0.951
   56    HA   LYS   8           HA       LYS   8  49.409  -3.085   0.407
   57    HB2  LYS   8           HB2      LYS   8  51.002  -4.103   2.119
   58    HB3  LYS   8           HB1      LYS   8  51.492  -2.442   2.529
   59    HG2  LYS   8           HG2      LYS   8  49.208  -1.864   3.158
   60    HG3  LYS   8           HG1      LYS   8  48.612  -3.445   2.599
   61    HD2  LYS   8           HD2      LYS   8  49.948  -4.591   4.309
   62    HD3  LYS   8           HD1      LYS   8  50.646  -3.039   4.834
   63    HE2  LYS   8           HE2      LYS   8  48.499  -2.240   5.599
   64    HE3  LYS   8           HE1      LYS   8  47.658  -3.620   4.854
   65    HZ1  LYS   8           HZ1      LYS   8  48.256  -3.634   7.381
   66    HZ2  LYS   8           HZ2      LYS   8  49.781  -4.136   6.825
   67    HZ3  LYS   8           HZ3      LYS   8  48.397  -5.051   6.460
   68    H    ALA   9           HN       ALA   9  48.246  -1.306   1.357
   69    HA   ALA   9           HA       ALA   9  47.631   0.926   1.400
   70    HB1  ALA   9           HB1      ALA   9  49.202   2.504   2.252
   71    HB2  ALA   9           HB2      ALA   9  50.586   1.557   1.657
   72    HB3  ALA   9           HB3      ALA   9  49.602   0.944   3.007
   73    H    ALA  10           HN       ALA  10  47.968   3.116   0.315
   74    HA   ALA  10           HA       ALA  10  49.485   3.123  -2.180
   75    HB1  ALA  10           HB1      ALA  10  47.659   1.710  -2.927
   76    HB2  ALA  10           HB2      ALA  10  47.480   3.325  -3.653
   77    HB3  ALA  10           HB3      ALA  10  46.461   2.851  -2.272
   78    H    HIS  11           HN       HIS  11  46.445   4.502  -0.823
   79    HA   HIS  11           HA       HIS  11  47.201   7.187  -1.723
   80    HB2  HIS  11           HB2      HIS  11  45.125   7.873  -0.539
   81    HB3  HIS  11           HB1      HIS  11  44.846   6.520  -1.662
   82    HD1  HIS  11           HD1      HIS  11  44.962   4.030  -0.481
   83    HD2  HIS  11           HD2      HIS  11  44.371   7.320   2.071
   84    HE1  HIS  11           HE1      HIS  11  44.013   3.130   1.715
   85    H    ALA  12           HN       ALA  12  46.560   5.758   1.523
   86    HA   ALA  12           HA       ALA  12  47.369   6.375   3.606
   87    HB1  ALA  12           HB1      ALA  12  49.756   6.856   3.754
   88    HB2  ALA  12           HB2      ALA  12  49.815   7.215   2.011
   89    HB3  ALA  12           HB3      ALA  12  49.471   5.560   2.569
   90    H    GLY  13           HN       GLY  13  48.244   8.216   4.962
   91    HA2  GLY  13           HA1      GLY  13  46.775  10.617   4.236
   92    HA3  GLY  13           HA2      GLY  13  47.768  10.372   5.687
   93    H    LYS  14           HN       LYS  14  47.667  11.494   2.373
   94    HA   LYS  14           HA       LYS  14  49.873  13.300   2.828
   95    HB2  LYS  14           HB2      LYS  14  51.208  11.238   2.597
   96    HB3  LYS  14           HB1      LYS  14  50.435  10.907   1.028
   97    HG2  LYS  14           HG2      LYS  14  51.392  12.892   0.042
   98    HG3  LYS  14           HG1      LYS  14  51.958  13.475   1.628
   99    HD2  LYS  14           HD2      LYS  14  53.506  11.579   1.811
  100    HD3  LYS  14           HD1      LYS  14  52.897  10.906   0.278
  101    HE2  LYS  14           HE2      LYS  14  53.629  13.007  -0.883
  102    HE3  LYS  14           HE1      LYS  14  54.340  13.566   0.649
  103    HZ1  LYS  14           HZ1      LYS  14  56.106  12.546  -0.408
  104    HZ2  LYS  14           HZ2      LYS  14  55.154  11.301  -1.064
  105    HZ3  LYS  14           HZ3      LYS  14  55.536  11.300   0.591
  106    H    HIS  15           HN       HIS  15  49.149  11.463  -0.147
  107    HA   HIS  15           HA       HIS  15  48.638  13.940  -1.598
  108    HB2  HIS  15           HB2      HIS  15  49.670  11.887  -2.611
  109    HB3  HIS  15           HB1      HIS  15  48.097  11.070  -2.453
  110    HD1  HIS  15           HD1      HIS  15  47.972  14.716  -3.226
  111    HD2  HIS  15           HD2      HIS  15  47.903  11.087  -5.353
  112    HE1  HIS  15           HE1      HIS  15  47.228  15.245  -5.613
  113    H    ALA  16           HN       ALA  16  46.737  11.644   0.195
  114    HA   ALA  16           HA       ALA  16  44.218  11.889  -1.048
  115    HB1  ALA  16           HB1      ALA  16  43.273  11.312   1.121
  116    HB2  ALA  16           HB2      ALA  16  44.786  11.778   1.934
  117    HB3  ALA  16           HB3      ALA  16  44.757  10.370   0.845
  118    H    GLY  17           HN       GLY  17  45.411  13.804   1.758
  119    HA2  GLY  17           HA1      GLY  17  43.278  15.791   1.339
  120    HA3  GLY  17           HA2      GLY  17  44.518  15.796   2.609
  121    H    LYS  18           HN       LYS  18  45.520  15.328  -0.688
  122    HA   LYS  18           HA       LYS  18  46.841  16.651  -2.059
  123    HB2  LYS  18           HB2      LYS  18  45.277  18.982  -0.886
  124    HB3  LYS  18           HB1      LYS  18  46.104  18.915  -2.461
  125    HG2  LYS  18           HG2      LYS  18  44.578  16.995  -3.092
  126    HG3  LYS  18           HG1      LYS  18  43.674  17.298  -1.589
  127    HD2  LYS  18           HD2      LYS  18  43.190  19.599  -2.310
  128    HD3  LYS  18           HD1      LYS  18  44.153  19.358  -3.787
  129    HE2  LYS  18           HE2      LYS  18  41.709  17.696  -3.041
  130    HE3  LYS  18           HE1      LYS  18  41.677  19.084  -4.155
  131    HZ1  LYS  18           HZ1      LYS  18  42.728  16.404  -4.552
  132    HZ2  LYS  18           HZ2      LYS  18  43.705  17.657  -5.153
  133    HZ3  LYS  18           HZ3      LYS  18  42.097  17.503  -5.679
  134    H    ALA  19           HN       ALA  19  47.216  16.492   1.119
  135    HA   ALA  19           HA       ALA  19  49.801  17.851   1.047
  136    HB1  ALA  19           HB1      ALA  19  47.581  18.965   2.796
  137    HB2  ALA  19           HB2      ALA  19  48.419  19.803   1.469
  138    HB3  ALA  19           HB3      ALA  19  49.304  19.378   2.953
  139    H    ALA  20           HN       ALA  20  47.598  17.398   3.817
  140    HA   ALA  20           HA       ALA  20  48.671  14.800   4.524
  141    HB1  ALA  20           HB1      ALA  20  49.646  17.153   6.178
  142    HB2  ALA  20           HB2      ALA  20  50.646  16.245   5.018
  143    HB3  ALA  20           HB3      ALA  20  49.990  15.430   6.458
  144    H    LEU  21           HN       LEU  21  46.100  15.785   4.214
  145    HA   LEU  21           HA       LEU  21  44.062  15.831   5.309
  146    HB2  LEU  21           HB2      LEU  21  45.489  14.714   7.746
  147    HB3  LEU  21           HB1      LEU  21  43.792  14.495   7.267
  148    HG   LEU  21           HG       LEU  21  46.223  13.441   5.750
  149   HD11  LEU  21          HD11      LEU  21  45.709  12.291   7.921
  150   HD12  LEU  21          HD12      LEU  21  45.467  11.241   6.505
  151   HD13  LEU  21          HD13      LEU  21  44.064  11.969   7.323
  152   HD21  LEU  21          HD21      LEU  21  44.526  13.857   4.123
  153   HD22  LEU  21          HD22      LEU  21  43.223  13.355   5.226
  154   HD23  LEU  21          HD23      LEU  21  44.327  12.141   4.537
  155    H    THR  22           HN       THR  22  46.116  16.330   8.207
  156    HA   THR  22           HA       THR  22  44.538  18.743   8.860
  157    HB   THR  22           HB       THR  22  45.674  18.707  10.975
  158    HG1  THR  22           HG1      THR  22  47.621  17.926  11.183
  159   HG21  THR  22          HG21      THR  22  44.002  16.881  10.556
  160   HG22  THR  22          HG22      THR  22  45.243  16.433  11.751
  161   HG23  THR  22          HG23      THR  22  45.345  15.812  10.086
  162    H    HIS  23           HN       HIS  23  46.495  18.573   6.507
  163    HA   HIS  23           HA       HIS  23  48.133  19.918   5.551
  164    HB2  HIS  23           HB2      HIS  23  46.875  21.927   7.461
  165    HB3  HIS  23           HB1      HIS  23  47.976  22.347   6.126
  166    HD1  HIS  23           HD1      HIS  23  45.346  23.615   5.767
  167    HD2  HIS  23           HD2      HIS  23  45.947  19.604   4.658
  168    HE1  HIS  23           HE1      HIS  23  43.558  23.027   4.040
  169    H    TYR  24           HN       TYR  24  49.137  18.268   7.544
  170    HA   TYR  24           HA       TYR  24  50.662  19.692   9.527
  171    HB2  TYR  24           HB2      TYR  24  50.115  17.233   9.562
  172    HB3  TYR  24           HB1      TYR  24  51.310  17.003   8.263
  173    HD1  TYR  24           HD1      TYR  24  53.715  17.365   8.674
  174    HD2  TYR  24           HD2      TYR  24  50.811  17.810  11.834
  175    HE1  TYR  24           HE1      TYR  24  55.547  17.315  10.363
  176    HE2  TYR  24           HE2      TYR  24  52.640  17.761  13.524
  177    HH   TYR  24           HH       TYR  24  55.914  16.883  12.637
  178    H    LEU  25           HN       LEU  25  52.065  21.248   8.997
  179    HA   LEU  25           HA       LEU  25  53.573  21.184   6.500
  180    HB2  LEU  25           HB2      LEU  25  54.152  22.912   8.932
  181    HB3  LEU  25           HB1      LEU  25  54.512  23.258   7.225
  182    HG   LEU  25           HG       LEU  25  51.723  23.018   8.446
  183   HD11  LEU  25          HD11      LEU  25  51.615  25.457   7.969
  184   HD12  LEU  25          HD12      LEU  25  53.310  25.417   7.422
  185   HD13  LEU  25          HD13      LEU  25  52.913  25.071   9.123
  186   HD21  LEU  25          HD21      LEU  25  51.124  24.036   6.128
  187   HD22  LEU  25          HD22      LEU  25  51.538  22.309   6.173
  188   HD23  LEU  25          HD23      LEU  25  52.740  23.498   5.613
  Start of MODEL   26
    1    H1   GLY   1           HT1      GLY   1  60.360  -0.273 -14.322
    2    H2   GLY   1           HT2      GLY   1  61.802  -0.118 -15.206
    3    H3   GLY   1           HT3      GLY   1  61.051   1.258 -14.548
    4    HA2  GLY   1           HA1      GLY   1  63.084   0.068 -13.429
    5    HA3  GLY   1           HA2      GLY   1  61.825   0.926 -12.519
    6    H    TRP   2           HN       TRP   2  61.317  -2.121 -14.239
    7    HA   TRP   2           HA       TRP   2  60.640  -4.186 -13.439
    8    HB2  TRP   2           HB2      TRP   2  63.033  -4.129 -12.635
    9    HB3  TRP   2           HB1      TRP   2  62.433  -3.550 -11.063
   10    HD1  TRP   2           HD1      TRP   2  61.397  -6.433 -13.465
   11    HE1  TRP   2           HE1      TRP   2  61.037  -8.596 -12.067
   12    HE3  TRP   2           HE3      TRP   2  62.499  -4.583  -8.820
   13    HZ2  TRP   2           HZ2      TRP   2  61.215  -9.384  -9.302
   14    HZ3  TRP   2           HZ3      TRP   2  62.399  -6.058  -6.817
   15    HH2  TRP   2           HH2      TRP   2  61.759  -8.454  -7.053
   16    H    GLY   3           HN       GLY   3  60.906  -4.271 -10.189
   17    HA2  GLY   3           HA1      GLY   3  58.043  -4.041  -9.807
   18    HA3  GLY   3           HA2      GLY   3  59.260  -4.350  -8.553
   19    H    SER   4           HN       SER   4  57.935  -1.760 -10.640
   20    HA   SER   4           HA       SER   4  59.012   0.391  -9.057
   21    HB2  SER   4           HB2      SER   4  57.370   1.790 -10.279
   22    HB3  SER   4           HB1      SER   4  58.261   0.709 -11.373
   23    HG   SER   4           HG       SER   4  55.607   0.843 -10.849
   24    H    PHE   5           HN       PHE   5  58.122   1.652  -7.450
   25    HA   PHE   5           HA       PHE   5  56.325   0.308  -5.641
   26    HB2  PHE   5           HB2      PHE   5  57.057   3.260  -5.700
   27    HB3  PHE   5           HB1      PHE   5  56.470   2.323  -4.305
   28    HD1  PHE   5           HD1      PHE   5  57.891   0.508  -3.319
   29    HD2  PHE   5           HD2      PHE   5  59.368   3.145  -6.401
   30    HE1  PHE   5           HE1      PHE   5  60.227  -0.168  -2.779
   31    HE2  PHE   5           HE2      PHE   5  61.704   2.468  -5.860
   32    HZ   PHE   5           HZ       PHE   5  62.136   0.840  -4.024
   33    H    PHE   6           HN       PHE   6  54.186   0.643  -5.151
   34    HA   PHE   6           HA       PHE   6  52.415   1.266  -7.257
   35    HB2  PHE   6           HB2      PHE   6  51.821   1.581  -4.291
   36    HB3  PHE   6           HB1      PHE   6  50.662   1.229  -5.596
   37    HD1  PHE   6           HD1      PHE   6  53.485  -0.126  -3.585
   38    HD2  PHE   6           HD2      PHE   6  50.479  -0.997  -6.557
   39    HE1  PHE   6           HE1      PHE   6  53.930  -2.563  -3.321
   40    HE2  PHE   6           HE2      PHE   6  50.924  -3.434  -6.293
   41    HZ   PHE   6           HZ       PHE   6  52.720  -4.208  -4.748
   42    H    LYS   7           HN       LYS   7  54.011   3.355  -4.927
   43    HA   LYS   7           HA       LYS   7  54.114   5.659  -4.790
   44    HB2  LYS   7           HB2      LYS   7  54.302   5.327  -7.367
   45    HB3  LYS   7           HB1      LYS   7  52.610   5.868  -7.423
   46    HG2  LYS   7           HG2      LYS   7  53.207   7.977  -6.320
   47    HG3  LYS   7           HG1      LYS   7  54.892   7.433  -6.132
   48    HD2  LYS   7           HD2      LYS   7  55.203   7.368  -8.544
   49    HD3  LYS   7           HD1      LYS   7  53.479   7.719  -8.818
   50    HE2  LYS   7           HE2      LYS   7  53.794   9.903  -7.597
   51    HE3  LYS   7           HE1      LYS   7  55.539   9.558  -7.524
   52    HZ1  LYS   7           HZ1      LYS   7  53.866   9.925  -9.956
   53    HZ2  LYS   7           HZ2      LYS   7  55.457   9.331  -9.996
   54    HZ3  LYS   7           HZ3      LYS   7  55.147  10.900  -9.425
   55    H    LYS   8           HN       LYS   8  51.316   3.890  -4.755
   56    HA   LYS   8           HA       LYS   8  49.918   5.782  -3.124
   57    HB2  LYS   8           HB2      LYS   8  47.943   6.123  -4.726
   58    HB3  LYS   8           HB1      LYS   8  49.412   7.065  -5.072
   59    HG2  LYS   8           HG2      LYS   8  50.096   5.476  -6.789
   60    HG3  LYS   8           HG1      LYS   8  48.741   4.395  -6.380
   61    HD2  LYS   8           HD2      LYS   8  47.119   6.070  -7.095
   62    HD3  LYS   8           HD1      LYS   8  48.414   7.262  -7.363
   63    HE2  LYS   8           HE2      LYS   8  49.408   5.753  -9.090
   64    HE3  LYS   8           HE1      LYS   8  48.047   4.629  -8.859
   65    HZ1  LYS   8           HZ1      LYS   8  46.708   5.919 -10.062
   66    HZ2  LYS   8           HZ2      LYS   8  48.106   6.726 -10.593
   67    HZ3  LYS   8           HZ3      LYS   8  47.208   7.344  -9.289
   68    H    ALA   9           HN       ALA   9  48.360   4.763  -1.961
   69    HA   ALA   9           HA       ALA   9  46.883   2.490  -2.959
   70    HB1  ALA   9           HB1      ALA   9  49.199   1.923  -1.079
   71    HB2  ALA   9           HB2      ALA   9  49.007   1.327  -2.746
   72    HB3  ALA   9           HB3      ALA   9  47.897   0.774  -1.468
   73    H    ALA  10           HN       ALA  10  47.999   4.593  -0.407
   74    HA   ALA  10           HA       ALA  10  45.360   4.602   0.807
   75    HB1  ALA  10           HB1      ALA  10  45.875   3.636   2.937
   76    HB2  ALA  10           HB2      ALA  10  47.595   3.459   2.510
   77    HB3  ALA  10           HB3      ALA  10  46.367   2.457   1.698
   78    H    HIS  11           HN       HIS  11  45.105   6.680   1.250
   79    HA   HIS  11           HA       HIS  11  46.977   8.068   2.993
   80    HB2  HIS  11           HB2      HIS  11  47.585   9.860   1.377
   81    HB3  HIS  11           HB1      HIS  11  48.263   8.279   0.921
   82    HD1  HIS  11           HD1      HIS  11  45.979   6.895  -0.481
   83    HD2  HIS  11           HD2      HIS  11  46.765  10.995  -1.001
   84    HE1  HIS  11           HE1      HIS  11  44.952   7.591  -2.715
   85    H    ALA  12           HN       ALA  12  44.002   7.483   1.703
   86    HA   ALA  12           HA       ALA  12  42.737  10.011   1.539
   87    HB1  ALA  12           HB1      ALA  12  41.660   7.889   0.909
   88    HB2  ALA  12           HB2      ALA  12  40.663   8.796   2.073
   89    HB3  ALA  12           HB3      ALA  12  41.620   7.398   2.619
   90    H    GLY  13           HN       GLY  13  44.326   8.615   4.163
   91    HA2  GLY  13           HA1      GLY  13  43.643  10.774   5.922
   92    HA3  GLY  13           HA2      GLY  13  42.737   9.320   6.384
   93    H    LYS  14           HN       LYS  14  46.040  10.459   5.595
   94    HA   LYS  14           HA       LYS  14  47.108   9.230   8.003
   95    HB2  LYS  14           HB2      LYS  14  46.819   7.204   6.579
   96    HB3  LYS  14           HB1      LYS  14  47.861   7.951   5.344
   97    HG2  LYS  14           HG2      LYS  14  49.740   8.025   6.900
   98    HG3  LYS  14           HG1      LYS  14  48.709   7.441   8.230
   99    HD2  LYS  14           HD2      LYS  14  48.299   5.335   6.944
  100    HD3  LYS  14           HD1      LYS  14  49.417   5.914   5.686
  101    HE2  LYS  14           HE2      LYS  14  50.168   5.550   8.618
  102    HE3  LYS  14           HE1      LYS  14  50.508   4.362   7.337
  103    HZ1  LYS  14           HZ1      LYS  14  51.982   5.793   6.296
  104    HZ2  LYS  14           HZ2      LYS  14  52.301   6.081   7.940
  105    HZ3  LYS  14           HZ3      LYS  14  51.360   7.179   7.049
  106    H    HIS  15           HN       HIS  15  47.745  11.472   8.144
  107    HA   HIS  15           HA       HIS  15  49.246  13.222   7.848
  108    HB2  HIS  15           HB2      HIS  15  50.767  11.402   8.648
  109    HB3  HIS  15           HB1      HIS  15  51.114  10.992   6.952
  110    HD1  HIS  15           HD1      HIS  15  52.705  12.498   5.636
  111    HD2  HIS  15           HD2      HIS  15  51.843  13.933   9.493
  112    HE1  HIS  15           HE1      HIS  15  54.266  14.471   6.082
  113    H    ALA  16           HN       ALA  16  47.566  12.342   5.520
  114    HA   ALA  16           HA       ALA  16  48.748  14.121   3.573
  115    HB1  ALA  16           HB1      ALA  16  50.223  12.234   3.130
  116    HB2  ALA  16           HB2      ALA  16  49.092  12.446   1.771
  117    HB3  ALA  16           HB3      ALA  16  48.825  11.147   2.959
  118    H    GLY  17           HN       GLY  17  46.227  13.139   5.091
  119    HA2  GLY  17           HA1      GLY  17  44.378  12.441   2.930
  120    HA3  GLY  17           HA2      GLY  17  43.966  12.801   4.619
  121    H    LYS  18           HN       LYS  18  45.891  14.922   2.545
  122    HA   LYS  18           HA       LYS  18  45.519  17.147   1.979
  123    HB2  LYS  18           HB2      LYS  18  42.796  15.949   1.337
  124    HB3  LYS  18           HB1      LYS  18  43.326  17.573   0.833
  125    HG2  LYS  18           HG2      LYS  18  45.103  16.683  -0.512
  126    HG3  LYS  18           HG1      LYS  18  44.920  15.059   0.193
  127    HD2  LYS  18           HD2      LYS  18  43.913  15.231  -2.093
  128    HD3  LYS  18           HD1      LYS  18  42.716  14.809  -0.846
  129    HE2  LYS  18           HE2      LYS  18  43.173  17.712  -1.615
  130    HE3  LYS  18           HE1      LYS  18  42.104  16.671  -2.585
  131    HZ1  LYS  18           HZ1      LYS  18  40.534  17.062  -1.092
  132    HZ2  LYS  18           HZ2      LYS  18  41.608  17.892  -0.072
  133    HZ3  LYS  18           HZ3      LYS  18  41.439  16.207   0.059
  134    H    ALA  19           HN       ALA  19  44.695  16.082   4.763
  135    HA   ALA  19           HA       ALA  19  43.728  18.654   5.735
  136    HB1  ALA  19           HB1      ALA  19  41.656  17.736   6.782
  137    HB2  ALA  19           HB2      ALA  19  41.887  16.240   5.846
  138    HB3  ALA  19           HB3      ALA  19  41.584  17.779   5.004
  139    H    ALA  20           HN       ALA  20  44.540  15.258   6.201
  140    HA   ALA  20           HA       ALA  20  44.637  15.243   9.056
  141    HB1  ALA  20           HB1      ALA  20  44.735  13.187   7.785
  142    HB2  ALA  20           HB2      ALA  20  46.232  13.340   8.736
  143    HB3  ALA  20           HB3      ALA  20  46.244  13.699   6.993
  144    H    LEU  21           HN       LEU  21  47.179  15.907   6.615
  145    HA   LEU  21           HA       LEU  21  49.137  16.591   8.680
  146    HB2  LEU  21           HB2      LEU  21  50.368  17.536   6.541
  147    HB3  LEU  21           HB1      LEU  21  50.171  15.783   6.740
  148    HG   LEU  21           HG       LEU  21  48.263  15.757   5.231
  149   HD11  LEU  21          HD11      LEU  21  48.557  18.787   5.332
  150   HD12  LEU  21          HD12      LEU  21  47.122  17.812   5.731
  151   HD13  LEU  21          HD13      LEU  21  47.655  17.959   4.042
  152   HD21  LEU  21          HD21      LEU  21  50.481  17.512   4.091
  153   HD22  LEU  21          HD22      LEU  21  49.365  16.484   3.159
  154   HD23  LEU  21          HD23      LEU  21  50.558  15.741   4.252
  155    H    THR  22           HN       THR  22  46.429  18.052   8.313
  156    HA   THR  22           HA       THR  22  45.659  20.231   8.512
  157    HB   THR  22           HB       THR  22  46.927  21.727   9.907
  158    HG1  THR  22           HG1      THR  22  49.211  21.022  10.308
  159   HG21  THR  22          HG21      THR  22  47.453  20.313  11.780
  160   HG22  THR  22          HG22      THR  22  47.807  18.930  10.717
  161   HG23  THR  22          HG23      THR  22  46.134  19.512  10.895
  162    H    HIS  23           HN       HIS  23  45.360  20.694   6.331
  163    HA   HIS  23           HA       HIS  23  47.562  21.702   4.695
  164    HB2  HIS  23           HB2      HIS  23  45.784  22.161   3.041
  165    HB3  HIS  23           HB1      HIS  23  45.645  20.512   3.699
  166    HD1  HIS  23           HD1      HIS  23  44.558  22.336   6.462
  167    HD2  HIS  23           HD2      HIS  23  42.809  21.549   2.721
  168    HE1  HIS  23           HE1      HIS  23  42.045  22.729   6.699
  169    H    TYR  24           HN       TYR  24  47.281  23.117   7.177
  170    HA   TYR  24           HA       TYR  24  45.829  25.536   6.989
  171    HB2  TYR  24           HB2      TYR  24  47.114  24.630   8.993
  172    HB3  TYR  24           HB1      TYR  24  48.593  25.252   8.224
  173    HD1  TYR  24           HD1      TYR  24  48.992  27.660   8.003
  174    HD2  TYR  24           HD2      TYR  24  45.375  26.162   9.819
  175    HE1  TYR  24           HE1      TYR  24  48.498  29.934   8.895
  176    HE2  TYR  24           HE2      TYR  24  44.881  28.436  10.712
  177    HH   TYR  24           HH       TYR  24  45.684  30.489  11.033
  178    H    LEU  25           HN       LEU  25  48.276  24.417   4.962
  179    HA   LEU  25           HA       LEU  25  49.691  26.866   4.418
  180    HB2  LEU  25           HB2      LEU  25  49.175  24.638   2.419
  181    HB3  LEU  25           HB1      LEU  25  50.574  25.735   2.515
  182    HG   LEU  25           HG       LEU  25  49.824  23.569   4.530
  183   HD11  LEU  25          HD11      LEU  25  52.244  23.862   2.695
  184   HD12  LEU  25          HD12      LEU  25  50.846  22.811   2.363
  185   HD13  LEU  25          HD13      LEU  25  51.884  22.492   3.773
  186   HD21  LEU  25          HD21      LEU  25  50.793  25.334   5.816
  187   HD22  LEU  25          HD22      LEU  25  51.960  25.742   4.535
  188   HD23  LEU  25          HD23      LEU  25  52.152  24.240   5.471
  Start of MODEL   27
    1    H1   GLY   1           HT1      GLY   1  61.131  -2.608 -13.788
    2    H2   GLY   1           HT2      GLY   1  61.266  -2.007 -15.373
    3    H3   GLY   1           HT3      GLY   1  62.389  -1.544 -14.184
    4    HA2  GLY   1           HA1      GLY   1  63.016  -3.303 -15.902
    5    HA3  GLY   1           HA2      GLY   1  63.479  -3.498 -14.200
    6    H    TRP   2           HN       TRP   2  61.135  -4.268 -13.009
    7    HA   TRP   2           HA       TRP   2  59.844  -6.413 -14.502
    8    HB2  TRP   2           HB2      TRP   2  62.075  -7.443 -14.050
    9    HB3  TRP   2           HB1      TRP   2  61.799  -7.208 -12.307
   10    HD1  TRP   2           HD1      TRP   2  60.483  -9.026 -11.090
   11    HE1  TRP   2           HE1      TRP   2  59.109 -11.127 -11.773
   12    HE3  TRP   2           HE3      TRP   2  60.443  -8.351 -16.165
   13    HZ2  TRP   2           HZ2      TRP   2  58.141 -12.324 -14.207
   14    HZ3  TRP   2           HZ3      TRP   2  59.287  -9.984 -17.647
   15    HH2  TRP   2           HH2      TRP   2  58.138 -11.968 -16.675
   16    H    GLY   3           HN       GLY   3  60.884  -5.928 -11.092
   17    HA2  GLY   3           HA1      GLY   3  58.476  -6.698  -9.895
   18    HA3  GLY   3           HA2      GLY   3  59.619  -5.537  -9.195
   19    H    SER   4           HN       SER   4  59.501  -3.339 -10.659
   20    HA   SER   4           HA       SER   4  58.225  -1.408 -10.857
   21    HB2  SER   4           HB2      SER   4  57.519  -2.663 -12.903
   22    HB3  SER   4           HB1      SER   4  56.153  -3.333 -11.982
   23    HG   SER   4           HG       SER   4  55.390  -1.518 -12.963
   24    H    PHE   5           HN       PHE   5  58.141  -1.406  -8.455
   25    HA   PHE   5           HA       PHE   5  55.939  -2.432  -6.986
   26    HB2  PHE   5           HB2      PHE   5  57.530   0.115  -6.483
   27    HB3  PHE   5           HB1      PHE   5  56.534  -0.752  -5.289
   28    HD1  PHE   5           HD1      PHE   5  59.660  -0.812  -7.266
   29    HD2  PHE   5           HD2      PHE   5  57.227  -2.942  -4.408
   30    HE1  PHE   5           HE1      PHE   5  61.575  -2.325  -6.764
   31    HE2  PHE   5           HE2      PHE   5  59.142  -4.454  -3.904
   32    HZ   PHE   5           HZ       PHE   5  61.317  -4.142  -5.079
   33    H    PHE   6           HN       PHE   6  53.850  -2.055  -7.188
   34    HA   PHE   6           HA       PHE   6  52.689  -0.097  -8.837
   35    HB2  PHE   6           HB2      PHE   6  51.483  -1.300  -6.315
   36    HB3  PHE   6           HB1      PHE   6  50.594  -0.585  -7.683
   37    HD1  PHE   6           HD1      PHE   6  52.568  -3.482  -6.512
   38    HD2  PHE   6           HD2      PHE   6  50.497  -1.725  -9.867
   39    HE1  PHE   6           HE1      PHE   6  52.632  -5.673  -7.700
   40    HE2  PHE   6           HE2      PHE   6  50.562  -3.914 -11.054
   41    HZ   PHE   6           HZ       PHE   6  51.677  -5.875  -9.992
   42    H    LYS   7           HN       LYS   7  51.937   1.953  -8.606
   43    HA   LYS   7           HA       LYS   7  53.215   3.631  -6.655
   44    HB2  LYS   7           HB2      LYS   7  50.830   4.121  -8.480
   45    HB3  LYS   7           HB1      LYS   7  51.663   5.388  -7.547
   46    HG2  LYS   7           HG2      LYS   7  53.822   4.674  -8.688
   47    HG3  LYS   7           HG1      LYS   7  52.840   3.635  -9.746
   48    HD2  LYS   7           HD2      LYS   7  52.592   6.663  -9.443
   49    HD3  LYS   7           HD1      LYS   7  53.263   5.797 -10.844
   50    HE2  LYS   7           HE2      LYS   7  50.384   5.947  -9.900
   51    HE3  LYS   7           HE1      LYS   7  51.047   6.256 -11.521
   52    HZ1  LYS   7           HZ1      LYS   7  50.391   3.717 -10.227
   53    HZ2  LYS   7           HZ2      LYS   7  51.763   3.734 -11.230
   54    HZ3  LYS   7           HZ3      LYS   7  50.247   4.180 -11.852
   55    H    LYS   8           HN       LYS   8  50.457   1.611  -6.483
   56    HA   LYS   8           HA       LYS   8  48.779   3.088  -4.723
   57    HB2  LYS   8           HB2      LYS   8  48.282   0.871  -5.894
   58    HB3  LYS   8           HB1      LYS   8  49.242   0.086  -4.624
   59    HG2  LYS   8           HG2      LYS   8  47.081  -0.070  -3.715
   60    HG3  LYS   8           HG1      LYS   8  47.661   1.433  -2.967
   61    HD2  LYS   8           HD2      LYS   8  46.465   2.778  -4.625
   62    HD3  LYS   8           HD1      LYS   8  46.008   1.318  -5.535
   63    HE2  LYS   8           HE2      LYS   8  44.209   2.264  -3.984
   64    HE3  LYS   8           HE1      LYS   8  44.594   0.541  -3.761
   65    HZ1  LYS   8           HZ1      LYS   8  44.496   2.154  -1.729
   66    HZ2  LYS   8           HZ2      LYS   8  46.078   2.547  -2.204
   67    HZ3  LYS   8           HZ3      LYS   8  45.681   0.945  -1.805
   68    H    ALA   9           HN       ALA   9  49.099   3.844  -2.744
   69    HA   ALA   9           HA       ALA   9  50.447   2.242  -0.714
   70    HB1  ALA   9           HB1      ALA   9  52.263   3.884  -0.273
   71    HB2  ALA   9           HB2      ALA   9  51.821   4.737  -1.772
   72    HB3  ALA   9           HB3      ALA   9  52.438   3.069  -1.844
   73    H    ALA  10           HN       ALA  10  50.993   3.966   1.223
   74    HA   ALA  10           HA       ALA  10  48.371   4.912   1.999
   75    HB1  ALA  10           HB1      ALA  10  51.103   5.445   3.218
   76    HB2  ALA  10           HB2      ALA  10  50.021   4.090   3.622
   77    HB3  ALA  10           HB3      ALA  10  49.535   5.761   3.999
   78    H    HIS  11           HN       HIS  11  47.734   7.071   2.517
   79    HA   HIS  11           HA       HIS  11  49.330   9.341   1.684
   80    HB2  HIS  11           HB2      HIS  11  47.920  10.052  -0.225
   81    HB3  HIS  11           HB1      HIS  11  48.764   8.521  -0.562
   82    HD1  HIS  11           HD1      HIS  11  46.900   6.596   1.056
   83    HD2  HIS  11           HD2      HIS  11  45.583   9.497  -1.688
   84    HE1  HIS  11           HE1      HIS  11  44.565   5.906   0.280
   85    H    ALA  12           HN       ALA  12  46.395   7.824   2.762
   86    HA   ALA  12           HA       ALA  12  44.975  10.333   3.304
   87    HB1  ALA  12           HB1      ALA  12  43.326   8.913   4.368
   88    HB2  ALA  12           HB2      ALA  12  44.463   7.543   4.392
   89    HB3  ALA  12           HB3      ALA  12  43.839   8.156   2.841
   90    H    GLY  13           HN       GLY  13  47.328  10.862   4.367
   91    HA2  GLY  13           HA1      GLY  13  46.779  11.421   7.083
   92    HA3  GLY  13           HA2      GLY  13  47.753   9.938   7.046
   93    H    LYS  14           HN       LYS  14  47.978  12.561   4.682
   94    HA   LYS  14           HA       LYS  14  50.203  13.896   5.957
   95    HB2  LYS  14           HB2      LYS  14  51.351  11.774   5.385
   96    HB3  LYS  14           HB1      LYS  14  50.890  11.997   3.680
   97    HG2  LYS  14           HG2      LYS  14  52.206  14.012   3.501
   98    HG3  LYS  14           HG1      LYS  14  52.485  14.056   5.259
   99    HD2  LYS  14           HD2      LYS  14  53.731  11.908   5.104
  100    HD3  LYS  14           HD1      LYS  14  53.483  11.902   3.341
  101    HE2  LYS  14           HE2      LYS  14  54.735  13.994   3.115
  102    HE3  LYS  14           HE1      LYS  14  54.898  14.121   4.883
  103    HZ1  LYS  14           HZ1      LYS  14  56.640  12.874   3.180
  104    HZ2  LYS  14           HZ2      LYS  14  55.784  11.586   3.883
  105    HZ3  LYS  14           HZ3      LYS  14  56.598  12.707   4.867
  106    H    HIS  15           HN       HIS  15  49.775  12.934   2.536
  107    HA   HIS  15           HA       HIS  15  49.873  15.714   1.683
  108    HB2  HIS  15           HB2      HIS  15  50.721  13.877   0.271
  109    HB3  HIS  15           HB1      HIS  15  49.082  13.191   0.169
  110    HD1  HIS  15           HD1      HIS  15  48.303  13.648  -2.168
  111    HD2  HIS  15           HD2      HIS  15  50.075  17.019  -0.386
  112    HE1  HIS  15           HE1      HIS  15  48.046  15.596  -3.801
  113    H    ALA  16           HN       ALA  16  47.445  13.764   3.009
  114    HA   ALA  16           HA       ALA  16  45.431  15.812   2.553
  115    HB1  ALA  16           HB1      ALA  16  43.835  14.408   1.314
  116    HB2  ALA  16           HB2      ALA  16  45.061  13.122   1.187
  117    HB3  ALA  16           HB3      ALA  16  45.318  14.682   0.369
  118    H    GLY  17           HN       GLY  17  46.272  15.159   4.919
  119    HA2  GLY  17           HA1      GLY  17  44.965  12.824   6.060
  120    HA3  GLY  17           HA2      GLY  17  45.773  14.131   6.944
  121    H    LYS  18           HN       LYS  18  43.344  15.012   4.631
  122    HA   LYS  18           HA       LYS  18  41.316  16.099   4.952
  123    HB2  LYS  18           HB2      LYS  18  41.027  13.910   7.048
  124    HB3  LYS  18           HB1      LYS  18  39.696  14.914   6.425
  125    HG2  LYS  18           HG2      LYS  18  40.306  14.116   4.094
  126    HG3  LYS  18           HG1      LYS  18  41.438  12.970   4.852
  127    HD2  LYS  18           HD2      LYS  18  39.494  12.086   6.219
  128    HD3  LYS  18           HD1      LYS  18  38.417  13.102   5.231
  129    HE2  LYS  18           HE2      LYS  18  39.420  11.957   3.176
  130    HE3  LYS  18           HE1      LYS  18  40.189  10.809   4.299
  131    HZ1  LYS  18           HZ1      LYS  18  37.613  10.897   5.151
  132    HZ2  LYS  18           HZ2      LYS  18  38.277   9.697   4.149
  133    HZ3  LYS  18           HZ3      LYS  18  37.438  11.008   3.468
  134    H    ALA  19           HN       ALA  19  43.766  16.560   6.897
  135    HA   ALA  19           HA       ALA  19  42.499  18.751   8.314
  136    HB1  ALA  19           HB1      ALA  19  43.537  16.497  10.057
  137    HB2  ALA  19           HB2      ALA  19  41.811  16.746   9.698
  138    HB3  ALA  19           HB3      ALA  19  42.730  17.995  10.574
  139    H    ALA  20           HN       ALA  20  45.141  16.854   7.266
  140    HA   ALA  20           HA       ALA  20  47.224  18.216   8.772
  141    HB1  ALA  20           HB1      ALA  20  47.265  16.580   6.214
  142    HB2  ALA  20           HB2      ALA  20  47.662  16.027   7.859
  143    HB3  ALA  20           HB3      ALA  20  48.722  17.193   7.031
  144    H    LEU  21           HN       LEU  21  47.608  18.150   5.314
  145    HA   LEU  21           HA       LEU  21  48.133  21.054   5.312
  146    HB2  LEU  21           HB2      LEU  21  48.107  19.207   2.902
  147    HB3  LEU  21           HB1      LEU  21  49.027  20.712   3.139
  148    HG   LEU  21           HG       LEU  21  49.435  18.084   4.635
  149   HD11  LEU  21          HD11      LEU  21  51.255  19.604   2.717
  150   HD12  LEU  21          HD12      LEU  21  50.266  18.195   2.263
  151   HD13  LEU  21          HD13      LEU  21  51.573  18.018   3.458
  152   HD21  LEU  21          HD21      LEU  21  49.929  19.822   6.203
  153   HD22  LEU  21          HD22      LEU  21  50.662  20.855   4.953
  154   HD23  LEU  21          HD23      LEU  21  51.503  19.385   5.502
  155    H    THR  22           HN       THR  22  45.682  21.174   6.023
  156    HA   THR  22           HA       THR  22  44.281  22.240   3.687
  157    HB   THR  22           HB       THR  22  43.048  19.854   5.138
  158    HG1  THR  22           HG1      THR  22  44.701  19.361   3.588
  159   HG21  THR  22          HG21      THR  22  41.347  20.149   3.226
  160   HG22  THR  22          HG22      THR  22  42.062  21.760   2.984
  161   HG23  THR  22          HG23      THR  22  41.291  21.351   4.536
  162    H    HIS  23           HN       HIS  23  44.813  21.771   7.039
  163    HA   HIS  23           HA       HIS  23  42.975  24.044   7.646
  164    HB2  HIS  23           HB2      HIS  23  41.728  21.873   8.063
  165    HB3  HIS  23           HB1      HIS  23  42.957  21.483   9.290
  166    HD1  HIS  23           HD1      HIS  23  41.646  25.003   8.685
  167    HD2  HIS  23           HD2      HIS  23  41.187  21.893  11.478
  168    HE1  HIS  23           HE1      HIS  23  40.409  25.966  10.702
  169    H    TYR  24           HN       TYR  24  45.807  23.919   7.375
  170    HA   TYR  24           HA       TYR  24  47.228  23.489   9.777
  171    HB2  TYR  24           HB2      TYR  24  48.219  24.037   7.537
  172    HB3  TYR  24           HB1      TYR  24  47.711  25.728   7.772
  173    HD1  TYR  24           HD1      TYR  24  49.971  23.032   8.957
  174    HD2  TYR  24           HD2      TYR  24  48.800  27.161   9.424
  175    HE1  TYR  24           HE1      TYR  24  52.016  23.458  10.314
  176    HE2  TYR  24           HE2      TYR  24  50.845  27.587  10.781
  177    HH   TYR  24           HH       TYR  24  52.791  25.178  12.056
  178    H    LEU  25           HN       LEU  25  44.778  25.783   9.085
  179    HA   LEU  25           HA       LEU  25  45.682  27.866  10.908
  180    HB2  LEU  25           HB2      LEU  25  42.802  27.364  10.086
  181    HB3  LEU  25           HB1      LEU  25  43.598  28.909  10.470
  182    HG   LEU  25           HG       LEU  25  44.134  27.141   8.041
  183   HD11  LEU  25          HD11      LEU  25  42.022  28.531   8.055
  184   HD12  LEU  25          HD12      LEU  25  43.173  28.982   6.774
  185   HD13  LEU  25          HD13      LEU  25  43.038  29.979   8.242
  186   HD21  LEU  25          HD21      LEU  25  45.572  29.185   7.375
  187   HD22  LEU  25          HD22      LEU  25  46.241  28.120   8.632
  188   HD23  LEU  25          HD23      LEU  25  45.483  29.666   9.086
  Start of MODEL   28
    1    H1   GLY   1           HT1      GLY   1  60.055   1.224 -10.597
    2    H2   GLY   1           HT2      GLY   1  59.887   0.210 -11.950
    3    H3   GLY   1           HT3      GLY   1  61.208   1.273 -11.838
    4    HA2  GLY   1           HA1      GLY   1  60.896  -1.346 -10.846
    5    HA3  GLY   1           HA2      GLY   1  62.360  -0.355 -11.004
    6    H    TRP   2           HN       TRP   2  59.671   0.956  -9.240
    7    HA   TRP   2           HA       TRP   2  60.465  -0.097  -6.641
    8    HB2  TRP   2           HB2      TRP   2  62.350   1.454  -7.026
    9    HB3  TRP   2           HB1      TRP   2  61.200   2.782  -7.308
   10    HD1  TRP   2           HD1      TRP   2  61.741   0.118  -4.526
   11    HE1  TRP   2           HE1      TRP   2  61.434   1.256  -2.208
   12    HE3  TRP   2           HE3      TRP   2  60.637   4.865  -6.096
   13    HZ2  TRP   2           HZ2      TRP   2  60.795   3.878  -1.204
   14    HZ3  TRP   2           HZ3      TRP   2  60.182   6.668  -4.440
   15    HH2  TRP   2           HH2      TRP   2  60.261   6.181  -1.999
   16    H    GLY   3           HN       GLY   3  58.188  -0.528  -6.726
   17    HA2  GLY   3           HA1      GLY   3  56.606   1.245  -5.261
   18    HA3  GLY   3           HA2      GLY   3  56.281   1.638  -6.961
   19    H    SER   4           HN       SER   4  57.203  -1.618  -6.396
   20    HA   SER   4           HA       SER   4  55.995  -3.579  -6.688
   21    HB2  SER   4           HB2      SER   4  53.843  -2.178  -5.062
   22    HB3  SER   4           HB1      SER   4  54.164  -3.923  -5.170
   23    HG   SER   4           HG       SER   4  55.318  -3.478  -3.444
   24    H    PHE   5           HN       PHE   5  52.935  -3.536  -6.525
   25    HA   PHE   5           HA       PHE   5  52.433  -3.557  -9.324
   26    HB2  PHE   5           HB2      PHE   5  50.301  -2.998  -7.236
   27    HB3  PHE   5           HB1      PHE   5  50.161  -3.917  -8.755
   28    HD1  PHE   5           HD1      PHE   5  50.974  -6.217  -8.923
   29    HD2  PHE   5           HD2      PHE   5  51.445  -3.960  -5.274
   30    HE1  PHE   5           HE1      PHE   5  51.562  -8.309  -7.704
   31    HE2  PHE   5           HE2      PHE   5  52.032  -6.051  -4.055
   32    HZ   PHE   5           HZ       PHE   5  52.042  -8.233  -5.259
   33    H    PHE   6           HN       PHE   6  49.968  -2.072  -9.482
   34    HA   PHE   6           HA       PHE   6  51.020   0.436 -10.417
   35    HB2  PHE   6           HB2      PHE   6  48.164  -0.440  -9.832
   36    HB3  PHE   6           HB1      PHE   6  48.613   1.048 -10.700
   37    HD1  PHE   6           HD1      PHE   6  49.715   0.940 -12.917
   38    HD2  PHE   6           HD2      PHE   6  48.412  -2.630 -10.872
   39    HE1  PHE   6           HE1      PHE   6  49.940  -0.355 -15.034
   40    HE2  PHE   6           HE2      PHE   6  48.636  -3.924 -12.989
   41    HZ   PHE   6           HZ       PHE   6  49.370  -2.780 -15.077
   42    H    LYS   7           HN       LYS   7  49.776  -0.665  -7.345
   43    HA   LYS   7           HA       LYS   7  50.692   1.723  -6.010
   44    HB2  LYS   7           HB2      LYS   7  48.535   2.609  -5.243
   45    HB3  LYS   7           HB1      LYS   7  48.629   2.670  -7.019
   46    HG2  LYS   7           HG2      LYS   7  47.402   0.449  -7.073
   47    HG3  LYS   7           HG1      LYS   7  47.149   0.619  -5.320
   48    HD2  LYS   7           HD2      LYS   7  46.096   2.883  -5.784
   49    HD3  LYS   7           HD1      LYS   7  46.163   2.482  -7.517
   50    HE2  LYS   7           HE2      LYS   7  43.961   1.869  -6.700
   51    HE3  LYS   7           HE1      LYS   7  44.870   0.369  -6.998
   52    HZ1  LYS   7           HZ1      LYS   7  44.668  -0.172  -4.871
   53    HZ2  LYS   7           HZ2      LYS   7  43.684   1.192  -4.624
   54    HZ3  LYS   7           HZ3      LYS   7  45.361   1.293  -4.369
   55    H    LYS   8           HN       LYS   8  49.758   1.737  -3.650
   56    HA   LYS   8           HA       LYS   8  48.799  -0.792  -2.617
   57    HB2  LYS   8           HB2      LYS   8  51.194  -1.362  -3.255
   58    HB3  LYS   8           HB1      LYS   8  51.720  -0.182  -2.030
   59    HG2  LYS   8           HG2      LYS   8  50.577  -1.425  -0.267
   60    HG3  LYS   8           HG1      LYS   8  49.881  -2.548  -1.459
   61    HD2  LYS   8           HD2      LYS   8  52.183  -3.253  -2.109
   62    HD3  LYS   8           HD1      LYS   8  52.847  -2.177  -0.855
   63    HE2  LYS   8           HE2      LYS   8  52.732  -4.392   0.101
   64    HE3  LYS   8           HE1      LYS   8  51.424  -3.435   0.837
   65    HZ1  LYS   8           HZ1      LYS   8  51.129  -5.299  -1.468
   66    HZ2  LYS   8           HZ2      LYS   8  49.881  -4.386  -0.763
   67    HZ3  LYS   8           HZ3      LYS   8  50.646  -5.614   0.127
   68    H    ALA   9           HN       ALA   9  49.958   2.436  -2.356
   69    HA   ALA   9           HA       ALA   9  48.441   2.846   0.093
   70    HB1  ALA   9           HB1      ALA   9  50.325   3.560   1.505
   71    HB2  ALA   9           HB2      ALA   9  51.469   3.053   0.239
   72    HB3  ALA   9           HB3      ALA   9  50.463   1.841   1.068
   73    H    ALA  10           HN       ALA  10  51.353   4.237  -1.504
   74    HA   ALA  10           HA       ALA  10  51.749   6.409  -2.226
   75    HB1  ALA  10           HB1      ALA  10  50.076   5.518  -3.911
   76    HB2  ALA  10           HB2      ALA  10  50.149   7.291  -3.768
   77    HB3  ALA  10           HB3      ALA  10  48.818   6.388  -3.003
   78    H    HIS  11           HN       HIS  11  49.999   8.641  -2.435
   79    HA   HIS  11           HA       HIS  11  48.847   9.122   0.232
   80    HB2  HIS  11           HB2      HIS  11  51.333  10.636  -0.669
   81    HB3  HIS  11           HB1      HIS  11  50.344  11.017   0.761
   82    HD1  HIS  11           HD1      HIS  11  52.812   8.495  -0.607
   83    HD2  HIS  11           HD2      HIS  11  50.705   9.252   2.954
   84    HE1  HIS  11           HE1      HIS  11  53.765   6.944   1.186
   85    H    ALA  12           HN       ALA  12  50.395  11.319  -2.133
   86    HA   ALA  12           HA       ALA  12  49.480  13.080  -3.336
   87    HB1  ALA  12           HB1      ALA  12  47.317  12.553  -4.511
   88    HB2  ALA  12           HB2      ALA  12  47.254  11.033  -3.586
   89    HB3  ALA  12           HB3      ALA  12  48.589  11.328  -4.725
   90    H    GLY  13           HN       GLY  13  49.300  13.500  -0.648
   91    HA2  GLY  13           HA1      GLY  13  48.128  14.688   0.958
   92    HA3  GLY  13           HA2      GLY  13  47.388  15.529  -0.420
   93    H    LYS  14           HN       LYS  14  47.097  12.824   1.842
   94    HA   LYS  14           HA       LYS  14  44.222  13.112   1.943
   95    HB2  LYS  14           HB2      LYS  14  44.303  11.984  -0.232
   96    HB3  LYS  14           HB1      LYS  14  45.316  10.691   0.454
   97    HG2  LYS  14           HG2      LYS  14  43.546   9.893   1.848
   98    HG3  LYS  14           HG1      LYS  14  42.575  11.363   1.595
   99    HD2  LYS  14           HD2      LYS  14  41.740   9.402   0.270
  100    HD3  LYS  14           HD1      LYS  14  42.216  10.778  -0.753
  101    HE2  LYS  14           HE2      LYS  14  44.245   9.726  -1.422
  102    HE3  LYS  14           HE1      LYS  14  44.154   8.524  -0.110
  103    HZ1  LYS  14           HZ1      LYS  14  43.436   7.895  -2.514
  104    HZ2  LYS  14           HZ2      LYS  14  41.983   8.670  -2.097
  105    HZ3  LYS  14           HZ3      LYS  14  42.532   7.341  -1.192
  106    H    HIS  15           HN       HIS  15  46.042  10.049   2.014
  107    HA   HIS  15           HA       HIS  15  45.181   9.555   4.754
  108    HB2  HIS  15           HB2      HIS  15  47.122   8.130   2.895
  109    HB3  HIS  15           HB1      HIS  15  46.715   7.547   4.527
  110    HD1  HIS  15           HD1      HIS  15  45.884   6.612   1.325
  111    HD2  HIS  15           HD2      HIS  15  43.483   7.900   4.530
  112    HE1  HIS  15           HE1      HIS  15  43.515   5.757   0.894
  113    H    ALA  16           HN       ALA  16  47.645  11.421   3.391
  114    HA   ALA  16           HA       ALA  16  49.741  10.904   5.328
  115    HB1  ALA  16           HB1      ALA  16  50.296  11.909   3.208
  116    HB2  ALA  16           HB2      ALA  16  50.640  13.095   4.491
  117    HB3  ALA  16           HB3      ALA  16  49.172  13.257   3.497
  118    H    GLY  17           HN       GLY  17  47.330  13.547   4.953
  119    HA2  GLY  17           HA1      GLY  17  46.238  14.743   6.632
  120    HA3  GLY  17           HA2      GLY  17  47.051  13.751   7.858
  121    H    LYS  18           HN       LYS  18  49.725  14.327   6.651
  122    HA   LYS  18           HA       LYS  18  50.449  16.517   8.305
  123    HB2  LYS  18           HB2      LYS  18  51.807  15.381   5.830
  124    HB3  LYS  18           HB1      LYS  18  52.560  16.544   6.948
  125    HG2  LYS  18           HG2      LYS  18  52.170  14.934   8.827
  126    HG3  LYS  18           HG1      LYS  18  51.535  13.758   7.651
  127    HD2  LYS  18           HD2      LYS  18  53.687  13.764   6.449
  128    HD3  LYS  18           HD1      LYS  18  54.329  14.982   7.578
  129    HE2  LYS  18           HE2      LYS  18  54.034  13.409   9.462
  130    HE3  LYS  18           HE1      LYS  18  53.368  12.192   8.349
  131    HZ1  LYS  18           HZ1      LYS  18  56.061  13.398   8.004
  132    HZ2  LYS  18           HZ2      LYS  18  55.424  12.029   7.227
  133    HZ3  LYS  18           HZ3      LYS  18  55.797  11.972   8.884
  134    H    ALA  19           HN       ALA  19  48.853  16.459   5.263
  135    HA   ALA  19           HA       ALA  19  48.641  19.354   5.240
  136    HB1  ALA  19           HB1      ALA  19  49.744  19.685   3.028
  137    HB2  ALA  19           HB2      ALA  19  50.373  18.022   3.130
  138    HB3  ALA  19           HB3      ALA  19  50.884  19.243   4.321
  139    H    ALA  20           HN       ALA  20  46.570  17.830   5.428
  140    HA   ALA  20           HA       ALA  20  45.122  18.264   2.966
  141    HB1  ALA  20           HB1      ALA  20  46.350  16.263   2.249
  142    HB2  ALA  20           HB2      ALA  20  44.614  15.912   2.429
  143    HB3  ALA  20           HB3      ALA  20  45.766  15.381   3.679
  144    H    LEU  21           HN       LEU  21  45.125  15.893   5.677
  145    HA   LEU  21           HA       LEU  21  42.281  16.118   6.074
  146    HB2  LEU  21           HB2      LEU  21  43.738  14.175   6.771
  147    HB3  LEU  21           HB1      LEU  21  44.383  15.200   8.070
  148    HG   LEU  21           HG       LEU  21  41.987  15.530   8.881
  149   HD11  LEU  21          HD11      LEU  21  41.507  13.503   6.665
  150   HD12  LEU  21          HD12      LEU  21  40.561  14.951   7.085
  151   HD13  LEU  21          HD13      LEU  21  40.472  13.507   8.112
  152   HD21  LEU  21          HD21      LEU  21  41.917  13.330  10.000
  153   HD22  LEU  21          HD22      LEU  21  43.587  13.939   9.924
  154   HD23  LEU  21          HD23      LEU  21  43.050  12.670   8.797
  155    H    THR  22           HN       THR  22  42.073  18.474   6.067
  156    HA   THR  22           HA       THR  22  41.918  20.540   7.129
  157    HB   THR  22           HB       THR  22  41.103  20.434   9.496
  158    HG1  THR  22           HG1      THR  22  40.752  17.923   9.881
  159   HG21  THR  22          HG21      THR  22  39.063  19.157   8.994
  160   HG22  THR  22          HG22      THR  22  39.887  18.341   7.644
  161   HG23  THR  22          HG23      THR  22  39.568  20.091   7.566
  162    H    HIS  23           HN       HIS  23  44.468  20.306   6.661
  163    HA   HIS  23           HA       HIS  23  46.087  20.286   9.114
  164    HB2  HIS  23           HB2      HIS  23  47.937  20.887   7.578
  165    HB3  HIS  23           HB1      HIS  23  47.021  19.480   6.988
  166    HD1  HIS  23           HD1      HIS  23  48.051  22.931   6.099
  167    HD2  HIS  23           HD2      HIS  23  45.077  20.224   4.872
  168    HE1  HIS  23           HE1      HIS  23  47.171  23.737   3.840
  169    H    TYR  24           HN       TYR  24  45.717  21.921  10.508
  170    HA   TYR  24           HA       TYR  24  44.852  24.533   9.818
  171    HB2  TYR  24           HB2      TYR  24  46.480  23.526  12.183
  172    HB3  TYR  24           HB1      TYR  24  45.817  25.174  12.070
  173    HD1  TYR  24           HD1      TYR  24  44.985  21.571  12.382
  174    HD2  TYR  24           HD2      TYR  24  43.411  25.586  12.211
  175    HE1  TYR  24           HE1      TYR  24  42.776  20.739  13.180
  176    HE2  TYR  24           HE2      TYR  24  41.203  24.755  13.010
  177    HH   TYR  24           HH       TYR  24  40.049  22.063  12.956
  178    H    LEU  25           HN       LEU  25  48.148  23.206  10.219
  179    HA   LEU  25           HA       LEU  25  49.445  25.765   9.766
  180    HB2  LEU  25           HB2      LEU  25  50.357  22.868   9.756
  181    HB3  LEU  25           HB1      LEU  25  51.464  24.177   9.281
  182    HG   LEU  25           HG       LEU  25  51.176  25.275  11.443
  183   HD11  LEU  25          HD11      LEU  25  48.893  24.857  12.007
  184   HD12  LEU  25          HD12      LEU  25  49.833  23.979  13.234
  185   HD13  LEU  25          HD13      LEU  25  49.097  23.094  11.876
  186   HD21  LEU  25          HD21      LEU  25  52.860  23.458  11.262
  187   HD22  LEU  25          HD22      LEU  25  51.631  22.273  11.768
  188   HD23  LEU  25          HD23      LEU  25  52.170  23.536  12.900
  Start of MODEL   29
    1    H1   GLY   1           HT1      GLY   1  57.872   7.049  -7.519
    2    H2   GLY   1           HT2      GLY   1  57.063   7.447  -6.078
    3    H3   GLY   1           HT3      GLY   1  58.265   6.247  -6.078
    4    HA2  GLY   1           HA1      GLY   1  59.894   7.669  -5.880
    5    HA3  GLY   1           HA2      GLY   1  59.182   8.729  -7.111
    6    H    TRP   2           HN       TRP   2  56.861   9.573  -6.194
    7    HA   TRP   2           HA       TRP   2  57.634  11.380  -4.054
    8    HB2  TRP   2           HB2      TRP   2  54.963  10.823  -5.405
    9    HB3  TRP   2           HB1      TRP   2  55.233  12.121  -4.218
   10    HD1  TRP   2           HD1      TRP   2  57.527  13.705  -4.924
   11    HE1  TRP   2           HE1      TRP   2  58.026  14.777  -7.241
   12    HE3  TRP   2           HE3      TRP   2  54.577  10.713  -7.851
   13    HZ2  TRP   2           HZ2      TRP   2  57.231  14.367  -9.980
   14    HZ3  TRP   2           HZ3      TRP   2  54.462  11.072 -10.311
   15    HH2  TRP   2           HH2      TRP   2  55.785  12.894 -11.378
   16    H    GLY   3           HN       GLY   3  54.584   9.542  -4.093
   17    HA2  GLY   3           HA1      GLY   3  55.141   7.848  -1.878
   18    HA3  GLY   3           HA2      GLY   3  54.461   9.364  -1.250
   19    H    SER   4           HN       SER   4  53.812   7.362  -4.160
   20    HA   SER   4           HA       SER   4  51.203   6.540  -3.152
   21    HB2  SER   4           HB2      SER   4  51.226   8.535  -5.448
   22    HB3  SER   4           HB1      SER   4  49.807   7.772  -4.698
   23    HG   SER   4           HG       SER   4  50.115   8.967  -2.900
   24    H    PHE   5           HN       PHE   5  53.850   5.802  -4.650
   25    HA   PHE   5           HA       PHE   5  52.889   4.743  -7.203
   26    HB2  PHE   5           HB2      PHE   5  55.106   3.670  -7.308
   27    HB3  PHE   5           HB1      PHE   5  55.250   5.388  -6.863
   28    HD1  PHE   5           HD1      PHE   5  55.335   1.894  -5.563
   29    HD2  PHE   5           HD2      PHE   5  56.054   6.056  -4.679
   30    HE1  PHE   5           HE1      PHE   5  56.515   1.245  -3.467
   31    HE2  PHE   5           HE2      PHE   5  57.234   5.408  -2.583
   32    HZ   PHE   5           HZ       PHE   5  57.530   2.999  -2.017
   33    H    PHE   6           HN       PHE   6  52.420   3.842  -4.002
   34    HA   PHE   6           HA       PHE   6  52.714   0.994  -4.144
   35    HB2  PHE   6           HB2      PHE   6  50.783   2.664  -2.483
   36    HB3  PHE   6           HB1      PHE   6  51.204   0.959  -2.191
   37    HD1  PHE   6           HD1      PHE   6  53.647   0.354  -1.745
   38    HD2  PHE   6           HD2      PHE   6  52.203   4.422  -1.691
   39    HE1  PHE   6           HE1      PHE   6  55.666   1.055  -0.464
   40    HE2  PHE   6           HE2      PHE   6  54.223   5.122  -0.409
   41    HZ   PHE   6           HZ       PHE   6  55.952   3.437   0.206
   42    H    LYS   7           HN       LYS   7  51.178  -0.660  -4.435
   43    HA   LYS   7           HA       LYS   7  49.287  -0.109  -6.583
   44    HB2  LYS   7           HB2      LYS   7  48.756  -2.509  -6.400
   45    HB3  LYS   7           HB1      LYS   7  50.517  -2.247  -6.429
   46    HG2  LYS   7           HG2      LYS   7  50.436  -2.270  -3.869
   47    HG3  LYS   7           HG1      LYS   7  48.762  -2.853  -4.013
   48    HD2  LYS   7           HD2      LYS   7  51.257  -4.202  -5.141
   49    HD3  LYS   7           HD1      LYS   7  50.287  -4.761  -3.759
   50    HE2  LYS   7           HE2      LYS   7  49.543  -4.712  -6.701
   51    HE3  LYS   7           HE1      LYS   7  49.489  -6.075  -5.561
   52    HZ1  LYS   7           HZ1      LYS   7  47.303  -5.490  -5.612
   53    HZ2  LYS   7           HZ2      LYS   7  47.609  -3.845  -5.896
   54    HZ3  LYS   7           HZ3      LYS   7  47.811  -4.493  -4.339
   55    H    LYS   8           HN       LYS   8  49.170  -0.063  -3.135
   56    HA   LYS   8           HA       LYS   8  46.434  -0.797  -2.725
   57    HB2  LYS   8           HB2      LYS   8  48.227   1.118  -1.180
   58    HB3  LYS   8           HB1      LYS   8  46.658   0.503  -0.607
   59    HG2  LYS   8           HG2      LYS   8  47.518  -1.830  -0.827
   60    HG3  LYS   8           HG1      LYS   8  49.101  -1.179  -1.317
   61    HD2  LYS   8           HD2      LYS   8  49.288   0.017   0.841
   62    HD3  LYS   8           HD1      LYS   8  47.698  -0.616   1.333
   63    HE2  LYS   8           HE2      LYS   8  48.633  -2.956   0.991
   64    HE3  LYS   8           HE1      LYS   8  50.236  -2.209   0.785
   65    HZ1  LYS   8           HZ1      LYS   8  49.360  -2.986   3.130
   66    HZ2  LYS   8           HZ2      LYS   8  48.652  -1.442   3.130
   67    HZ3  LYS   8           HZ3      LYS   8  50.334  -1.608   2.961
   68    H    ALA   9           HN       ALA   9  45.033   0.090  -4.204
   69    HA   ALA   9           HA       ALA   9  45.035   2.962  -4.762
   70    HB1  ALA   9           HB1      ALA   9  44.288   1.404  -6.463
   71    HB2  ALA   9           HB2      ALA   9  42.915   2.424  -5.968
   72    HB3  ALA   9           HB3      ALA   9  43.044   0.752  -5.372
   73    H    ALA  10           HN       ALA  10  45.028   3.274  -2.255
   74    HA   ALA  10           HA       ALA  10  42.414   4.329  -1.600
   75    HB1  ALA  10           HB1      ALA  10  41.980   2.917   0.385
   76    HB2  ALA  10           HB2      ALA  10  43.348   1.874  -0.073
   77    HB3  ALA  10           HB3      ALA  10  41.916   1.981  -1.127
   78    H    HIS  11           HN       HIS  11  42.381   5.218   0.678
   79    HA   HIS  11           HA       HIS  11  44.873   6.652   1.106
   80    HB2  HIS  11           HB2      HIS  11  43.677   7.650   3.030
   81    HB3  HIS  11           HB1      HIS  11  42.680   7.679   1.555
   82    HD1  HIS  11           HD1      HIS  11  40.844   5.705   1.330
   83    HD2  HIS  11           HD2      HIS  11  42.489   6.309   5.154
   84    HE1  HIS  11           HE1      HIS  11  39.335   4.504   3.008
   85    H    ALA  12           HN       ALA  12  45.737   6.837   3.436
   86    HA   ALA  12           HA       ALA  12  45.587   4.512   5.139
   87    HB1  ALA  12           HB1      ALA  12  47.869   3.644   4.750
   88    HB2  ALA  12           HB2      ALA  12  48.043   4.750   3.366
   89    HB3  ALA  12           HB3      ALA  12  46.831   3.447   3.319
   90    H    GLY  13           HN       GLY  13  46.231   7.650   4.488
   91    HA2  GLY  13           HA1      GLY  13  46.949   9.351   5.897
   92    HA3  GLY  13           HA2      GLY  13  47.237   8.141   7.164
   93    H    LYS  14           HN       LYS  14  48.910  10.357   6.718
   94    HA   LYS  14           HA       LYS  14  51.157  10.859   6.457
   95    HB2  LYS  14           HB2      LYS  14  51.609   7.852   6.494
   96    HB3  LYS  14           HB1      LYS  14  52.755   9.132   6.962
   97    HG2  LYS  14           HG2      LYS  14  51.209   9.815   8.798
   98    HG3  LYS  14           HG1      LYS  14  50.121   8.478   8.355
   99    HD2  LYS  14           HD2      LYS  14  51.799   6.826   8.898
  100    HD3  LYS  14           HD1      LYS  14  53.050   8.079   9.091
  101    HE2  LYS  14           HE2      LYS  14  52.172   7.291  11.290
  102    HE3  LYS  14           HE1      LYS  14  51.843   9.020  11.020
  103    HZ1  LYS  14           HZ1      LYS  14  49.961   6.739  10.753
  104    HZ2  LYS  14           HZ2      LYS  14  49.624   8.283  10.129
  105    HZ3  LYS  14           HZ3      LYS  14  49.849   8.068  11.800
  106    H    HIS  15           HN       HIS  15  49.332   9.783   4.120
  107    HA   HIS  15           HA       HIS  15  51.403  10.177   2.064
  108    HB2  HIS  15           HB2      HIS  15  49.844   7.561   2.165
  109    HB3  HIS  15           HB1      HIS  15  50.978   8.070   0.890
  110    HD1  HIS  15           HD1      HIS  15  50.803   6.668   4.368
  111    HD2  HIS  15           HD2      HIS  15  53.738   7.999   1.669
  112    HE1  HIS  15           HE1      HIS  15  53.073   5.960   5.301
  113    H    ALA  16           HN       ALA  16  48.132   9.814   3.185
  114    HA   ALA  16           HA       ALA  16  47.156  11.608   1.117
  115    HB1  ALA  16           HB1      ALA  16  45.628  10.103  -0.000
  116    HB2  ALA  16           HB2      ALA  16  46.130   8.750   1.043
  117    HB3  ALA  16           HB3      ALA  16  47.273   9.439  -0.135
  118    H    GLY  17           HN       GLY  17  47.281  11.360   4.028
  119    HA2  GLY  17           HA1      GLY  17  44.620  10.653   4.972
  120    HA3  GLY  17           HA2      GLY  17  45.893  11.481   5.890
  121    H    LYS  18           HN       LYS  18  44.592  12.543   2.769
  122    HA   LYS  18           HA       LYS  18  43.622  14.576   2.196
  123    HB2  LYS  18           HB2      LYS  18  42.133  14.151   4.818
  124    HB3  LYS  18           HB1      LYS  18  41.620  15.191   3.467
  125    HG2  LYS  18           HG2      LYS  18  41.586  13.180   1.977
  126    HG3  LYS  18           HG1      LYS  18  41.991  12.165   3.381
  127    HD2  LYS  18           HD2      LYS  18  39.927  12.998   4.532
  128    HD3  LYS  18           HD1      LYS  18  39.506  13.904   3.058
  129    HE2  LYS  18           HE2      LYS  18  39.733  10.889   3.395
  130    HE3  LYS  18           HE1      LYS  18  38.298  11.833   2.930
  131    HZ1  LYS  18           HZ1      LYS  18  39.968  12.588   1.029
  132    HZ2  LYS  18           HZ2      LYS  18  38.989  11.207   0.882
  133    HZ3  LYS  18           HZ3      LYS  18  40.621  11.053   1.334
  134    H    ALA  19           HN       ALA  19  46.032  14.501   4.034
  135    HA   ALA  19           HA       ALA  19  46.131  17.378   4.502
  136    HB1  ALA  19           HB1      ALA  19  46.396  17.354   6.891
  137    HB2  ALA  19           HB2      ALA  19  46.315  15.576   6.937
  138    HB3  ALA  19           HB3      ALA  19  44.868  16.524   6.513
  139    H    ALA  20           HN       ALA  20  47.490  14.138   5.041
  140    HA   ALA  20           HA       ALA  20  50.183  15.003   5.540
  141    HB1  ALA  20           HB1      ALA  20  49.518  12.764   6.108
  142    HB2  ALA  20           HB2      ALA  20  50.757  12.651   4.835
  143    HB3  ALA  20           HB3      ALA  20  49.039  12.420   4.430
  144    H    LEU  21           HN       LEU  21  48.422  14.092   2.567
  145    HA   LEU  21           HA       LEU  21  50.520  14.080   0.727
  146    HB2  LEU  21           HB2      LEU  21  48.283  13.518   0.036
  147    HB3  LEU  21           HB1      LEU  21  47.676  15.130   0.469
  148    HG   LEU  21           HG       LEU  21  48.897  16.167  -1.350
  149   HD11  LEU  21          HD11      LEU  21  50.238  14.607  -2.930
  150   HD12  LEU  21          HD12      LEU  21  50.224  13.437  -1.588
  151   HD13  LEU  21          HD13      LEU  21  50.995  15.028  -1.376
  152   HD21  LEU  21          HD21      LEU  21  47.821  15.129  -3.253
  153   HD22  LEU  21          HD22      LEU  21  46.745  14.912  -1.851
  154   HD23  LEU  21          HD23      LEU  21  47.747  13.557  -2.423
  155    H    THR  22           HN       THR  22  48.391  16.949   1.080
  156    HA   THR  22           HA       THR  22  50.153  18.766  -0.162
  157    HB   THR  22           HB       THR  22  48.860  20.544   0.878
  158    HG1  THR  22           HG1      THR  22  47.522  20.099   2.621
  159   HG21  THR  22          HG21      THR  22  46.561  19.772   0.364
  160   HG22  THR  22          HG22      THR  22  47.129  18.086   0.377
  161   HG23  THR  22          HG23      THR  22  47.722  19.216  -0.864
  162    H    HIS  23           HN       HIS  23  50.280  17.339   3.005
  163    HA   HIS  23           HA       HIS  23  51.731  17.651   4.783
  164    HB2  HIS  23           HB2      HIS  23  53.293  17.109   2.795
  165    HB3  HIS  23           HB1      HIS  23  53.670  18.847   2.767
  166    HD1  HIS  23           HD1      HIS  23  52.965  17.902   6.197
  167    HD2  HIS  23           HD2      HIS  23  56.319  17.698   3.669
  168    HE1  HIS  23           HE1      HIS  23  55.015  17.544   7.678
  169    H    TYR  24           HN       TYR  24  53.912  19.859   4.536
  170    HA   TYR  24           HA       TYR  24  52.311  21.902   5.917
  171    HB2  TYR  24           HB2      TYR  24  54.655  21.197   6.583
  172    HB3  TYR  24           HB1      TYR  24  55.243  22.015   5.117
  173    HD1  TYR  24           HD1      TYR  24  55.109  24.462   4.889
  174    HD2  TYR  24           HD2      TYR  24  53.724  22.471   8.458
  175    HE1  TYR  24           HE1      TYR  24  55.051  26.647   6.085
  176    HE2  TYR  24           HE2      TYR  24  53.664  24.655   9.654
  177    HH   TYR  24           HH       TYR  24  54.713  27.666   8.096
  178    H    LEU  25           HN       LEU  25  53.467  21.288   2.706
  179    HA   LEU  25           HA       LEU  25  53.522  24.064   1.831
  180    HB2  LEU  25           HB2      LEU  25  53.074  21.650   0.045
  181    HB3  LEU  25           HB1      LEU  25  53.881  23.188  -0.344
  182    HG   LEU  25           HG       LEU  25  54.889  21.043   1.578
  183   HD11  LEU  25          HD11      LEU  25  56.042  22.082  -1.047
  184   HD12  LEU  25          HD12      LEU  25  55.096  20.583  -0.892
  185   HD13  LEU  25          HD13      LEU  25  56.664  20.737  -0.065
  186   HD21  LEU  25          HD21      LEU  25  56.973  22.579   1.546
  187   HD22  LEU  25          HD22      LEU  25  55.583  23.140   2.502
  188   HD23  LEU  25          HD23      LEU  25  55.896  23.837   0.894
  Start of MODEL   30
    1    H1   GLY   1           HT1      GLY   1  59.918  -2.567  -6.745
    2    H2   GLY   1           HT2      GLY   1  58.759  -1.616  -5.943
    3    H3   GLY   1           HT3      GLY   1  59.161  -3.156  -5.349
    4    HA2  GLY   1           HA1      GLY   1  60.345  -1.889  -3.950
    5    HA3  GLY   1           HA2      GLY   1  61.525  -2.197  -5.241
    6    H    TRP   2           HN       TRP   2  59.759  -0.416  -7.029
    7    HA   TRP   2           HA       TRP   2  61.291   1.998  -6.594
    8    HB2  TRP   2           HB2      TRP   2  58.827   1.496  -8.312
    9    HB3  TRP   2           HB1      TRP   2  59.885   2.925  -8.411
   10    HD1  TRP   2           HD1      TRP   2  62.396   2.535  -9.275
   11    HE1  TRP   2           HE1      TRP   2  63.451   0.705 -10.791
   12    HE3  TRP   2           HE3      TRP   2  58.704  -0.997  -8.962
   13    HZ2  TRP   2           HZ2      TRP   2  62.756  -1.930 -11.725
   14    HZ3  TRP   2           HZ3      TRP   2  58.920  -3.162 -10.174
   15    HH2  TRP   2           HH2      TRP   2  60.942  -3.631 -11.553
   16    H    GLY   3           HN       GLY   3  58.209   0.817  -5.464
   17    HA2  GLY   3           HA1      GLY   3  56.703   1.740  -3.972
   18    HA3  GLY   3           HA2      GLY   3  57.960   2.913  -3.535
   19    H    SER   4           HN       SER   4  56.248   2.308  -6.624
   20    HA   SER   4           HA       SER   4  54.642   4.725  -6.368
   21    HB2  SER   4           HB2      SER   4  56.900   4.797  -8.403
   22    HB3  SER   4           HB1      SER   4  55.696   6.064  -8.082
   23    HG   SER   4           HG       SER   4  57.876   5.190  -6.517
   24    H    PHE   5           HN       PHE   5  55.492   1.764  -7.710
   25    HA   PHE   5           HA       PHE   5  54.379   1.878 -10.321
   26    HB2  PHE   5           HB2      PHE   5  55.664  -0.044  -9.332
   27    HB3  PHE   5           HB1      PHE   5  54.220  -0.460  -8.381
   28    HD1  PHE   5           HD1      PHE   5  55.742  -0.413 -11.738
   29    HD2  PHE   5           HD2      PHE   5  52.142  -1.223  -9.499
   30    HE1  PHE   5           HE1      PHE   5  54.798  -1.631 -13.697
   31    HE2  PHE   5           HE2      PHE   5  51.197  -2.441 -11.459
   32    HZ   PHE   5           HZ       PHE   5  52.525  -2.643 -13.558
   33    H    PHE   6           HN       PHE   6  52.868   1.651  -7.136
   34    HA   PHE   6           HA       PHE   6  50.270   0.825  -7.982
   35    HB2  PHE   6           HB2      PHE   6  50.995   2.671  -5.672
   36    HB3  PHE   6           HB1      PHE   6  49.495   1.727  -5.847
   37    HD1  PHE   6           HD1      PHE   6  53.098   1.601  -5.060
   38    HD2  PHE   6           HD2      PHE   6  49.526  -0.744  -5.677
   39    HE1  PHE   6           HE1      PHE   6  54.211  -0.370  -4.017
   40    HE2  PHE   6           HE2      PHE   6  50.640  -2.714  -4.634
   41    HZ   PHE   6           HZ       PHE   6  53.006  -2.546  -3.870
   42    H    LYS   7           HN       LYS   7  48.359   2.516  -7.353
   43    HA   LYS   7           HA       LYS   7  48.257   4.309  -9.592
   44    HB2  LYS   7           HB2      LYS   7  46.567   4.315  -7.059
   45    HB3  LYS   7           HB1      LYS   7  46.152   5.090  -8.606
   46    HG2  LYS   7           HG2      LYS   7  46.208   2.877  -9.729
   47    HG3  LYS   7           HG1      LYS   7  46.604   2.104  -8.174
   48    HD2  LYS   7           HD2      LYS   7  44.476   2.988  -7.216
   49    HD3  LYS   7           HD1      LYS   7  44.071   3.685  -8.803
   50    HE2  LYS   7           HE2      LYS   7  44.243   1.376  -9.796
   51    HE3  LYS   7           HE1      LYS   7  44.471   0.733  -8.152
   52    HZ1  LYS   7           HZ1      LYS   7  42.314   0.982  -7.685
   53    HZ2  LYS   7           HZ2      LYS   7  42.083   1.107  -9.364
   54    HZ3  LYS   7           HZ3      LYS   7  42.213   2.511  -8.416
   55    H    LYS   8           HN       LYS   8  47.226   6.678  -8.786
   56    HA   LYS   8           HA       LYS   8  49.596   8.168  -8.118
   57    HB2  LYS   8           HB2      LYS   8  48.051  10.113  -8.014
   58    HB3  LYS   8           HB1      LYS   8  47.791   9.127  -9.475
   59    HG2  LYS   8           HG2      LYS   8  45.941   7.921  -8.249
   60    HG3  LYS   8           HG1      LYS   8  46.136   9.084  -6.916
   61    HD2  LYS   8           HD2      LYS   8  45.620  10.952  -8.420
   62    HD3  LYS   8           HD1      LYS   8  45.522   9.838  -9.806
   63    HE2  LYS   8           HE2      LYS   8  43.610   8.690  -8.812
   64    HE3  LYS   8           HE1      LYS   8  43.751   9.666  -7.330
   65    HZ1  LYS   8           HZ1      LYS   8  42.260  10.955  -8.383
   66    HZ2  LYS   8           HZ2      LYS   8  42.659  10.374  -9.930
   67    HZ3  LYS   8           HZ3      LYS   8  43.615  11.572  -9.196
   68    H    ALA   9           HN       ALA   9  50.223   9.227  -6.264
   69    HA   ALA   9           HA       ALA   9  50.508   9.415  -3.969
   70    HB1  ALA   9           HB1      ALA   9  47.478   9.300  -3.868
   71    HB2  ALA   9           HB2      ALA   9  48.398  10.743  -4.359
   72    HB3  ALA   9           HB3      ALA   9  48.576  10.091  -2.713
   73    H    ALA  10           HN       ALA  10  49.360   8.488  -1.738
   74    HA   ALA  10           HA       ALA  10  48.485   5.744  -1.874
   75    HB1  ALA  10           HB1      ALA  10  50.562   4.713  -0.928
   76    HB2  ALA  10           HB2      ALA  10  51.425   6.228  -1.284
   77    HB3  ALA  10           HB3      ALA  10  50.739   5.260  -2.612
   78    H    HIS  11           HN       HIS  11  48.263   8.481  -0.521
   79    HA   HIS  11           HA       HIS  11  49.036   8.420   2.169
   80    HB2  HIS  11           HB2      HIS  11  47.022   9.819   2.597
   81    HB3  HIS  11           HB1      HIS  11  47.928  10.346   1.158
   82    HD1  HIS  11           HD1      HIS  11  46.856   8.021  -0.753
   83    HD2  HIS  11           HD2      HIS  11  44.503  10.626   1.564
   84    HE1  HIS  11           HE1      HIS  11  44.523   8.070  -1.794
   85    H    ALA  12           HN       ALA  12  48.699   7.068   3.793
   86    HA   ALA  12           HA       ALA  12  46.710   4.925   3.541
   87    HB1  ALA  12           HB1      ALA  12  47.599   4.182   5.696
   88    HB2  ALA  12           HB2      ALA  12  48.498   5.708   5.871
   89    HB3  ALA  12           HB3      ALA  12  48.927   4.562   4.576
   90    H    GLY  13           HN       GLY  13  47.319   7.442   6.043
   91    HA2  GLY  13           HA1      GLY  13  44.847   8.635   6.178
   92    HA3  GLY  13           HA2      GLY  13  44.598   7.131   7.087
   93    H    LYS  14           HN       LYS  14  47.051   9.754   6.812
   94    HA   LYS  14           HA       LYS  14  46.740  10.488   9.589
   95    HB2  LYS  14           HB2      LYS  14  47.876   8.356   9.998
   96    HB3  LYS  14           HB1      LYS  14  49.185   8.815   8.884
   97    HG2  LYS  14           HG2      LYS  14  49.897  10.616  10.318
   98    HG3  LYS  14           HG1      LYS  14  48.439  10.470  11.330
   99    HD2  LYS  14           HD2      LYS  14  49.145   8.285  12.137
  100    HD3  LYS  14           HD1      LYS  14  50.523   8.268  11.009
  101    HE2  LYS  14           HE2      LYS  14  51.451  10.285  12.141
  102    HE3  LYS  14           HE1      LYS  14  50.098  10.242  13.296
  103    HZ1  LYS  14           HZ1      LYS  14  51.104   7.694  13.308
  104    HZ2  LYS  14           HZ2      LYS  14  51.368   8.884  14.491
  105    HZ3  LYS  14           HZ3      LYS  14  52.491   8.668  13.234
  106    H    HIS  15           HN       HIS  15  49.863  10.198   7.916
  107    HA   HIS  15           HA       HIS  15  50.416  12.999   8.208
  108    HB2  HIS  15           HB2      HIS  15  52.349  12.536   6.725
  109    HB3  HIS  15           HB1      HIS  15  52.192  11.319   8.016
  110    HD1  HIS  15           HD1      HIS  15  51.668  11.830   4.287
  111    HD2  HIS  15           HD2      HIS  15  51.616   8.713   7.109
  112    HE1  HIS  15           HE1      HIS  15  51.506   9.632   2.992
  113    H    ALA  16           HN       ALA  16  48.307  11.422   6.099
  114    HA   ALA  16           HA       ALA  16  48.020  13.884   4.494
  115    HB1  ALA  16           HB1      ALA  16  49.750  12.761   3.215
  116    HB2  ALA  16           HB2      ALA  16  48.208  12.652   2.333
  117    HB3  ALA  16           HB3      ALA  16  48.824  11.242   3.228
  118    H    GLY  17           HN       GLY  17  46.292  12.844   6.354
  119    HA2  GLY  17           HA1      GLY  17  43.941  12.388   4.689
  120    HA3  GLY  17           HA2      GLY  17  44.408  10.954   5.626
  121    H    LYS  18           HN       LYS  18  45.552  13.120   7.610
  122    HA   LYS  18           HA       LYS  18  42.994  14.106   8.776
  123    HB2  LYS  18           HB2      LYS  18  44.895  12.284  10.311
  124    HB3  LYS  18           HB1      LYS  18  43.436  13.074  10.953
  125    HG2  LYS  18           HG2      LYS  18  42.120  11.855   9.129
  126    HG3  LYS  18           HG1      LYS  18  43.597  10.913   8.815
  127    HD2  LYS  18           HD2      LYS  18  43.622  10.095  11.120
  128    HD3  LYS  18           HD1      LYS  18  42.225  11.120  11.530
  129    HE2  LYS  18           HE2      LYS  18  41.716   8.651  11.008
  130    HE3  LYS  18           HE1      LYS  18  40.757   9.862  10.123
  131    HZ1  LYS  18           HZ1      LYS  18  43.239   8.597   9.071
  132    HZ2  LYS  18           HZ2      LYS  18  42.170   9.615   8.229
  133    HZ3  LYS  18           HZ3      LYS  18  41.670   8.063   8.706
  134    H    ALA  19           HN       ALA  19  46.540  13.781   8.961
  135    HA   ALA  19           HA       ALA  19  46.870  16.017  10.777
  136    HB1  ALA  19           HB1      ALA  19  48.836  14.762   8.830
  137    HB2  ALA  19           HB2      ALA  19  48.556  14.235  10.507
  138    HB3  ALA  19           HB3      ALA  19  49.244  15.843  10.181
  139    H    ALA  20           HN       ALA  20  46.206  15.720   7.410
  140    HA   ALA  20           HA       ALA  20  46.040  18.591   7.099
  141    HB1  ALA  20           HB1      ALA  20  47.830  18.988   5.563
  142    HB2  ALA  20           HB2      ALA  20  48.250  17.258   5.506
  143    HB3  ALA  20           HB3      ALA  20  48.542  18.199   6.990
  144    H    LEU  21           HN       LEU  21  44.881  15.727   6.573
  145    HA   LEU  21           HA       LEU  21  43.441  14.807   5.012
  146    HB2  LEU  21           HB2      LEU  21  43.399  17.506   3.622
  147    HB3  LEU  21           HB1      LEU  21  42.124  16.268   3.670
  148    HG   LEU  21           HG       LEU  21  43.118  17.962   6.004
  149   HD11  LEU  21          HD11      LEU  21  40.427  17.779   4.578
  150   HD12  LEU  21          HD12      LEU  21  41.601  19.108   4.416
  151   HD13  LEU  21          HD13      LEU  21  40.793  18.817   5.976
  152   HD21  LEU  21          HD21      LEU  21  41.126  16.775   7.177
  153   HD22  LEU  21          HD22      LEU  21  42.616  15.832   6.961
  154   HD23  LEU  21          HD23      LEU  21  41.234  15.571   5.870
  155    H    THR  22           HN       THR  22  45.008  17.205   2.850
  156    HA   THR  22           HA       THR  22  46.460  14.972   1.481
  157    HB   THR  22           HB       THR  22  44.409  15.153   0.177
  158    HG1  THR  22           HG1      THR  22  45.609  15.140  -1.530
  159   HG21  THR  22          HG21      THR  22  43.621  17.280  -0.729
  160   HG22  THR  22          HG22      THR  22  45.009  18.135  -0.012
  161   HG23  THR  22          HG23      THR  22  43.764  17.418   1.039
  162    H    HIS  23           HN       HIS  23  47.177  17.249   3.254
  163    HA   HIS  23           HA       HIS  23  48.785  18.917   3.345
  164    HB2  HIS  23           HB2      HIS  23  50.155  17.034   2.419
  165    HB3  HIS  23           HB1      HIS  23  49.810  17.640   0.781
  166    HD1  HIS  23           HD1      HIS  23  51.167  19.045   4.104
  167    HD2  HIS  23           HD2      HIS  23  51.635  19.539  -0.045
  168    HE1  HIS  23           HE1      HIS  23  53.061  20.720   3.745
  169    H    TYR  24           HN       TYR  24  47.792  20.845   3.066
  170    HA   TYR  24           HA       TYR  24  46.534  21.782   0.724
  171    HB2  TYR  24           HB2      TYR  24  48.054  23.392   2.815
  172    HB3  TYR  24           HB1      TYR  24  46.868  24.047   1.661
  173    HD1  TYR  24           HD1      TYR  24  47.352  21.985   4.693
  174    HD2  TYR  24           HD2      TYR  24  44.473  23.522   1.870
  175    HE1  TYR  24           HE1      TYR  24  45.502  21.371   6.245
  176    HE2  TYR  24           HE2      TYR  24  42.623  22.907   3.422
  177    HH   TYR  24           HH       TYR  24  42.337  22.461   5.909
  178    H    LEU  25           HN       LEU  25  49.761  22.865   1.879
  179    HA   LEU  25           HA       LEU  25  50.978  22.463  -0.725
  180    HB2  LEU  25           HB2      LEU  25  49.437  24.620  -0.866
  181    HB3  LEU  25           HB1      LEU  25  50.764  25.396   0.022
  182    HG   LEU  25           HG       LEU  25  50.951  23.956  -2.666
  183   HD11  LEU  25          HD11      LEU  25  51.469  26.156  -3.550
  184   HD12  LEU  25          HD12      LEU  25  51.513  26.857  -1.915
  185   HD13  LEU  25          HD13      LEU  25  49.970  26.291  -2.600
  186   HD21  LEU  25          HD21      LEU  25  53.081  25.088  -0.803
  187   HD22  LEU  25          HD22      LEU  25  53.364  24.893  -2.550
  188   HD23  LEU  25          HD23      LEU  25  53.008  23.471  -1.545
  Start of MODEL   31
    1    H1   GLY   1           HT1      GLY   1  55.311  -8.307 -13.258
    2    H2   GLY   1           HT2      GLY   1  55.600  -6.633 -13.265
    3    H3   GLY   1           HT3      GLY   1  54.504  -7.305 -12.155
    4    HA2  GLY   1           HA1      GLY   1  56.051  -7.750 -10.714
    5    HA3  GLY   1           HA2      GLY   1  57.027  -8.543 -11.967
    6    H    TRP   2           HN       TRP   2  58.714  -7.491 -12.908
    7    HA   TRP   2           HA       TRP   2  59.953  -5.380 -11.489
    8    HB2  TRP   2           HB2      TRP   2  60.287  -6.190 -14.405
    9    HB3  TRP   2           HB1      TRP   2  61.411  -5.158 -13.489
   10    HD1  TRP   2           HD1      TRP   2  60.191  -8.760 -13.798
   11    HE1  TRP   2           HE1      TRP   2  61.791 -10.345 -12.497
   12    HE3  TRP   2           HE3      TRP   2  63.098  -5.244 -11.475
   13    HZ2  TRP   2           HZ2      TRP   2  64.023 -10.087 -10.696
   14    HZ3  TRP   2           HZ3      TRP   2  64.956  -5.936  -9.971
   15    HH2  TRP   2           HH2      TRP   2  65.421  -8.352  -9.579
   16    H    GLY   3           HN       GLY   3  57.254  -5.281 -13.567
   17    HA2  GLY   3           HA1      GLY   3  57.695  -2.601 -14.631
   18    HA3  GLY   3           HA2      GLY   3  56.193  -3.543 -14.694
   19    H    SER   4           HN       SER   4  56.145  -4.002 -11.785
   20    HA   SER   4           HA       SER   4  54.595  -1.696 -11.058
   21    HB2  SER   4           HB2      SER   4  54.365  -2.750  -8.914
   22    HB3  SER   4           HB1      SER   4  54.389  -4.050 -10.126
   23    HG   SER   4           HG       SER   4  56.796  -3.961  -9.656
   24    H    PHE   5           HN       PHE   5  55.578  -1.526  -8.279
   25    HA   PHE   5           HA       PHE   5  58.256  -0.307  -8.473
   26    HB2  PHE   5           HB2      PHE   5  55.817   1.420  -7.873
   27    HB3  PHE   5           HB1      PHE   5  57.518   1.935  -7.772
   28    HD1  PHE   5           HD1      PHE   5  58.941   1.974  -9.853
   29    HD2  PHE   5           HD2      PHE   5  54.681   1.296  -9.996
   30    HE1  PHE   5           HE1      PHE   5  58.937   2.510 -12.287
   31    HE2  PHE   5           HE2      PHE   5  54.677   1.831 -12.429
   32    HZ   PHE   5           HZ       PHE   5  56.814   2.384 -13.585
   33    H    PHE   6           HN       PHE   6  59.181   0.125  -6.445
   34    HA   PHE   6           HA       PHE   6  58.244  -1.574  -4.328
   35    HB2  PHE   6           HB2      PHE   6  60.624  -0.883  -4.674
   36    HB3  PHE   6           HB1      PHE   6  60.188   0.760  -4.146
   37    HD1  PHE   6           HD1      PHE   6  59.527   1.212  -1.814
   38    HD2  PHE   6           HD2      PHE   6  60.680  -2.746  -3.091
   39    HE1  PHE   6           HE1      PHE   6  59.761   0.511   0.566
   40    HE2  PHE   6           HE2      PHE   6  60.913  -3.446  -0.712
   41    HZ   PHE   6           HZ       PHE   6  60.356  -1.846   1.115
   42    H    LYS   7           HN       LYS   7  58.161   1.981  -4.786
   43    HA   LYS   7           HA       LYS   7  56.917   2.561  -2.273
   44    HB2  LYS   7           HB2      LYS   7  56.807   4.051  -4.925
   45    HB3  LYS   7           HB1      LYS   7  56.274   4.711  -3.360
   46    HG2  LYS   7           HG2      LYS   7  58.577   4.295  -2.451
   47    HG3  LYS   7           HG1      LYS   7  59.088   3.780  -4.078
   48    HD2  LYS   7           HD2      LYS   7  58.377   6.012  -4.967
   49    HD3  LYS   7           HD1      LYS   7  57.994   6.520  -3.305
   50    HE2  LYS   7           HE2      LYS   7  60.225   7.319  -3.823
   51    HE3  LYS   7           HE1      LYS   7  60.385   5.970  -2.672
   52    HZ1  LYS   7           HZ1      LYS   7  61.288   6.173  -5.390
   53    HZ2  LYS   7           HZ2      LYS   7  60.389   4.758  -5.114
   54    HZ3  LYS   7           HZ3      LYS   7  61.760   5.094  -4.170
   55    H    LYS   8           HN       LYS   8  54.699   3.483  -2.020
   56    HA   LYS   8           HA       LYS   8  52.619   2.708  -3.876
   57    HB2  LYS   8           HB2      LYS   8  53.241   0.454  -2.974
   58    HB3  LYS   8           HB1      LYS   8  52.824   1.033  -1.343
   59    HG2  LYS   8           HG2      LYS   8  50.521   1.431  -2.002
   60    HG3  LYS   8           HG1      LYS   8  50.899   1.082  -3.706
   61    HD2  LYS   8           HD2      LYS   8  51.545  -1.245  -3.054
   62    HD3  LYS   8           HD1      LYS   8  51.059  -0.885  -1.380
   63    HE2  LYS   8           HE2      LYS   8  49.248  -2.043  -2.646
   64    HE3  LYS   8           HE1      LYS   8  48.759  -0.413  -2.121
   65    HZ1  LYS   8           HZ1      LYS   8  48.614  -1.354  -4.658
   66    HZ2  LYS   8           HZ2      LYS   8  50.063  -0.466  -4.694
   67    HZ3  LYS   8           HZ3      LYS   8  48.614   0.285  -4.223
   68    H    ALA   9           HN       ALA   9  53.724   3.718  -0.701
   69    HA   ALA   9           HA       ALA   9  51.128   4.588   0.258
   70    HB1  ALA   9           HB1      ALA   9  52.388   5.707   2.007
   71    HB2  ALA   9           HB2      ALA   9  53.893   5.546   1.072
   72    HB3  ALA   9           HB3      ALA   9  53.088   4.097   1.721
   73    H    ALA  10           HN       ALA  10  50.310   6.708   0.449
   74    HA   ALA  10           HA       ALA  10  51.659   8.940  -0.856
   75    HB1  ALA  10           HB1      ALA  10  49.210   7.762  -2.215
   76    HB2  ALA  10           HB2      ALA  10  50.875   7.684  -2.840
   77    HB3  ALA  10           HB3      ALA  10  50.058   9.257  -2.676
   78    H    HIS  11           HN       HIS  11  49.662  10.652  -1.364
   79    HA   HIS  11           HA       HIS  11  48.852  11.547   1.181
   80    HB2  HIS  11           HB2      HIS  11  47.340  12.043  -1.410
   81    HB3  HIS  11           HB1      HIS  11  47.414  13.095   0.024
   82    HD1  HIS  11           HD1      HIS  11  48.648  13.179  -3.210
   83    HD2  HIS  11           HD2      HIS  11  50.625  13.286   0.500
   84    HE1  HIS  11           HE1      HIS  11  50.921  14.282  -3.590
   85    H    ALA  12           HN       ALA  12  47.794  10.249   2.574
   86    HA   ALA  12           HA       ALA  12  45.635   8.481   1.684
   87    HB1  ALA  12           HB1      ALA  12  46.583   9.303   4.451
   88    HB2  ALA  12           HB2      ALA  12  47.062   7.842   3.553
   89    HB3  ALA  12           HB3      ALA  12  45.383   8.033   4.115
   90    H    GLY  13           HN       GLY  13  45.845  11.428   3.731
   91    HA2  GLY  13           HA1      GLY  13  43.035  11.688   4.133
   92    HA3  GLY  13           HA2      GLY  13  44.229  12.995   4.261
   93    H    LYS  14           HN       LYS  14  44.959  14.002   2.210
   94    HA   LYS  14           HA       LYS  14  43.313  13.658  -0.164
   95    HB2  LYS  14           HB2      LYS  14  41.772  14.905   1.454
   96    HB3  LYS  14           HB1      LYS  14  42.912  16.267   1.349
   97    HG2  LYS  14           HG2      LYS  14  42.591  16.407  -1.075
   98    HG3  LYS  14           HG1      LYS  14  41.552  14.962  -1.051
   99    HD2  LYS  14           HD2      LYS  14  39.891  16.119   0.313
  100    HD3  LYS  14           HD1      LYS  14  40.952  17.541   0.458
  101    HE2  LYS  14           HE2      LYS  14  40.880  17.796  -2.037
  102    HE3  LYS  14           HE1      LYS  14  39.718  16.450  -2.109
  103    HZ1  LYS  14           HZ1      LYS  14  38.681  18.689  -2.076
  104    HZ2  LYS  14           HZ2      LYS  14  39.305  18.929  -0.513
  105    HZ3  LYS  14           HZ3      LYS  14  38.176  17.692  -0.800
  106    H    HIS  15           HN       HIS  15  45.874  14.987   1.671
  107    HA   HIS  15           HA       HIS  15  47.280  15.763  -0.796
  108    HB2  HIS  15           HB2      HIS  15  46.622  17.830   1.341
  109    HB3  HIS  15           HB1      HIS  15  47.801  18.062   0.026
  110    HD1  HIS  15           HD1      HIS  15  46.815  17.875  -2.488
  111    HD2  HIS  15           HD2      HIS  15  44.006  18.385   0.598
  112    HE1  HIS  15           HE1      HIS  15  44.612  18.579  -3.573
  113    H    ALA  16           HN       ALA  16  47.090  15.225   2.644
  114    HA   ALA  16           HA       ALA  16  49.715  14.061   2.736
  115    HB1  ALA  16           HB1      ALA  16  50.745  15.754   4.290
  116    HB2  ALA  16           HB2      ALA  16  49.428  16.870   3.854
  117    HB3  ALA  16           HB3      ALA  16  50.572  16.312   2.610
  118    H    GLY  17           HN       GLY  17  46.837  15.363   4.169
  119    HA2  GLY  17           HA1      GLY  17  45.574  14.514   5.929
  120    HA3  GLY  17           HA2      GLY  17  46.748  13.196   6.105
  121    H    LYS  18           HN       LYS  18  49.076  14.806   6.506
  122    HA   LYS  18           HA       LYS  18  48.703  15.372   9.360
  123    HB2  LYS  18           HB2      LYS  18  51.085  15.601   7.482
  124    HB3  LYS  18           HB1      LYS  18  51.157  15.954   9.226
  125    HG2  LYS  18           HG2      LYS  18  50.509  13.687   9.784
  126    HG3  LYS  18           HG1      LYS  18  50.172  13.309   8.076
  127    HD2  LYS  18           HD2      LYS  18  52.561  13.673   7.522
  128    HD3  LYS  18           HD1      LYS  18  52.899  14.045   9.230
  129    HE2  LYS  18           HE2      LYS  18  52.326  11.810   9.921
  130    HE3  LYS  18           HE1      LYS  18  51.652  11.420   8.320
  131    HZ1  LYS  18           HZ1      LYS  18  54.495  11.888   9.041
  132    HZ2  LYS  18           HZ2      LYS  18  53.948  11.881   7.433
  133    HZ3  LYS  18           HZ3      LYS  18  53.799  10.485   8.391
  134    H    ALA  19           HN       ALA  19  48.056  17.108   6.595
  135    HA   ALA  19           HA       ALA  19  47.825  19.598   8.090
  136    HB1  ALA  19           HB1      ALA  19  50.285  19.511   7.487
  137    HB2  ALA  19           HB2      ALA  19  49.402  20.934   6.884
  138    HB3  ALA  19           HB3      ALA  19  49.790  19.591   5.780
  139    H    ALA  20           HN       ALA  20  45.794  18.320   7.047
  140    HA   ALA  20           HA       ALA  20  44.828  20.143   5.007
  141    HB1  ALA  20           HB1      ALA  20  45.294  17.255   4.183
  142    HB2  ALA  20           HB2      ALA  20  46.203  18.664   3.584
  143    HB3  ALA  20           HB3      ALA  20  44.466  18.503   3.222
  144    H    LEU  21           HN       LEU  21  44.144  16.666   5.520
  145    HA   LEU  21           HA       LEU  21  41.320  17.164   5.853
  146    HB2  LEU  21           HB2      LEU  21  42.441  15.013   5.044
  147    HB3  LEU  21           HB1      LEU  21  42.865  14.703   6.742
  148    HG   LEU  21           HG       LEU  21  40.274  15.103   7.186
  149   HD11  LEU  21          HD11      LEU  21  40.338  14.405   4.212
  150   HD12  LEU  21          HD12      LEU  21  39.622  15.853   4.957
  151   HD13  LEU  21          HD13      LEU  21  38.900  14.256   5.245
  152   HD21  LEU  21          HD21      LEU  21  41.341  12.602   5.797
  153   HD22  LEU  21          HD22      LEU  21  39.842  12.683   6.755
  154   HD23  LEU  21          HD23      LEU  21  41.416  12.952   7.541
  155    H    THR  22           HN       THR  22  40.210  17.801   7.577
  156    HA   THR  22           HA       THR  22  39.816  18.487   9.763
  157    HB   THR  22           HB       THR  22  40.385  16.750  11.533
  158    HG1  THR  22           HG1      THR  22  41.042  14.929   9.579
  159   HG21  THR  22          HG21      THR  22  38.926  14.959  10.437
  160   HG22  THR  22          HG22      THR  22  38.957  15.960   8.965
  161   HG23  THR  22          HG23      THR  22  38.241  16.602  10.464
  162    H    HIS  23           HN       HIS  23  42.383  19.303   8.485
  163    HA   HIS  23           HA       HIS  23  43.609  20.413  10.909
  164    HB2  HIS  23           HB2      HIS  23  45.087  18.372   9.204
  165    HB3  HIS  23           HB1      HIS  23  45.922  19.542  10.253
  166    HD1  HIS  23           HD1      HIS  23  45.087  19.502  12.880
  167    HD2  HIS  23           HD2      HIS  23  44.255  16.097  10.552
  168    HE1  HIS  23           HE1      HIS  23  44.588  17.582  14.491
  169    H    TYR  24           HN       TYR  24  42.459  22.025   9.342
  170    HA   TYR  24           HA       TYR  24  43.791  22.749   6.902
  171    HB2  TYR  24           HB2      TYR  24  41.481  23.457   7.527
  172    HB3  TYR  24           HB1      TYR  24  42.172  24.516   8.779
  173    HD1  TYR  24           HD1      TYR  24  41.695  23.996   5.156
  174    HD2  TYR  24           HD2      TYR  24  43.525  26.493   8.163
  175    HE1  TYR  24           HE1      TYR  24  42.084  25.767   3.448
  176    HE2  TYR  24           HE2      TYR  24  43.914  28.264   6.456
  177    HH   TYR  24           HH       TYR  24  42.799  28.783   3.899
  178    H    LEU  25           HN       LEU  25  43.728  24.613   9.978
  179    HA   LEU  25           HA       LEU  25  45.307  26.080  10.849
  180    HB2  LEU  25           HB2      LEU  25  46.982  23.742   9.875
  181    HB3  LEU  25           HB1      LEU  25  47.749  25.144  10.657
  182    HG   LEU  25           HG       LEU  25  46.399  24.828  12.668
  183   HD11  LEU  25          HD11      LEU  25  44.295  24.066  11.816
  184   HD12  LEU  25          HD12      LEU  25  44.934  22.709  12.773
  185   HD13  LEU  25          HD13      LEU  25  45.043  22.675  10.995
  186   HD21  LEU  25          HD21      LEU  25  47.534  22.165  11.695
  187   HD22  LEU  25          HD22      LEU  25  47.277  22.642  13.391
  188   HD23  LEU  25          HD23      LEU  25  48.489  23.490  12.402
  Start of MODEL   32
    1    H1   GLY   1           HT1      GLY   1  62.052   2.322 -10.209
    2    H2   GLY   1           HT2      GLY   1  63.125   1.773 -11.406
    3    H3   GLY   1           HT3      GLY   1  63.431   1.442  -9.768
    4    HA2  GLY   1           HA1      GLY   1  62.058  -0.259  -9.679
    5    HA3  GLY   1           HA2      GLY   1  60.880   0.553 -10.729
    6    H    TRP   2           HN       TRP   2  62.830  -2.066 -10.507
    7    HA   TRP   2           HA       TRP   2  64.134  -2.193 -13.043
    8    HB2  TRP   2           HB2      TRP   2  64.509  -3.761 -11.124
    9    HB3  TRP   2           HB1      TRP   2  62.922  -4.493 -11.460
   10    HD1  TRP   2           HD1      TRP   2  62.639  -5.801 -13.784
   11    HE1  TRP   2           HE1      TRP   2  64.359  -6.964 -15.351
   12    HE3  TRP   2           HE3      TRP   2  66.931  -3.648 -12.011
   13    HZ2  TRP   2           HZ2      TRP   2  67.209  -6.940 -15.754
   14    HZ3  TRP   2           HZ3      TRP   2  69.139  -4.232 -13.001
   15    HH2  TRP   2           HH2      TRP   2  69.282  -5.874 -14.869
   16    H    GLY   3           HN       GLY   3  60.905  -3.352 -11.998
   17    HA2  GLY   3           HA1      GLY   3  59.673  -2.720 -14.497
   18    HA3  GLY   3           HA2      GLY   3  60.116  -4.439 -14.494
   19    H    SER   4           HN       SER   4  58.767  -2.099 -12.121
   20    HA   SER   4           HA       SER   4  56.280  -3.667 -11.932
   21    HB2  SER   4           HB2      SER   4  58.039  -3.429  -9.464
   22    HB3  SER   4           HB1      SER   4  56.491  -4.289  -9.617
   23    HG   SER   4           HG       SER   4  57.475  -5.877 -10.657
   24    H    PHE   5           HN       PHE   5  54.920  -2.731 -10.023
   25    HA   PHE   5           HA       PHE   5  55.521   0.087  -9.394
   26    HB2  PHE   5           HB2      PHE   5  53.377   0.900 -10.428
   27    HB3  PHE   5           HB1      PHE   5  54.606   0.402 -11.614
   28    HD1  PHE   5           HD1      PHE   5  54.477  -1.986 -12.572
   29    HD2  PHE   5           HD2      PHE   5  51.230  -0.144 -10.405
   30    HE1  PHE   5           HE1      PHE   5  52.890  -3.641 -13.542
   31    HE2  PHE   5           HE2      PHE   5  49.644  -1.800 -11.377
   32    HZ   PHE   5           HZ       PHE   5  50.478  -3.564 -12.925
   33    H    PHE   6           HN       PHE   6  55.345  -0.443  -7.245
   34    HA   PHE   6           HA       PHE   6  52.992  -1.895  -6.251
   35    HB2  PHE   6           HB2      PHE   6  55.196  -0.382  -4.791
   36    HB3  PHE   6           HB1      PHE   6  53.980  -1.433  -4.027
   37    HD1  PHE   6           HD1      PHE   6  54.055  -3.863  -4.291
   38    HD2  PHE   6           HD2      PHE   6  56.965  -1.329  -6.225
   39    HE1  PHE   6           HE1      PHE   6  55.470  -5.857  -4.775
   40    HE2  PHE   6           HE2      PHE   6  58.379  -3.323  -6.709
   41    HZ   PHE   6           HZ       PHE   6  57.629  -5.586  -5.990
   42    H    LYS   7           HN       LYS   7  51.981   0.162  -7.685
   43    HA   LYS   7           HA       LYS   7  50.600   2.023  -7.543
   44    HB2  LYS   7           HB2      LYS   7  50.314   1.084  -4.660
   45    HB3  LYS   7           HB1      LYS   7  49.209   2.187  -5.517
   46    HG2  LYS   7           HG2      LYS   7  48.730   0.415  -7.183
   47    HG3  LYS   7           HG1      LYS   7  49.830  -0.691  -6.323
   48    HD2  LYS   7           HD2      LYS   7  48.419  -0.467  -4.277
   49    HD3  LYS   7           HD1      LYS   7  47.296   0.574  -5.186
   50    HE2  LYS   7           HE2      LYS   7  48.035  -2.257  -6.036
   51    HE3  LYS   7           HE1      LYS   7  46.598  -1.862  -5.064
   52    HZ1  LYS   7           HZ1      LYS   7  46.768  -0.142  -7.309
   53    HZ2  LYS   7           HZ2      LYS   7  45.535  -1.232  -6.887
   54    HZ3  LYS   7           HZ3      LYS   7  46.851  -1.756  -7.825
   55    H    LYS   8           HN       LYS   8  50.109   4.092  -6.184
   56    HA   LYS   8           HA       LYS   8  52.641   5.462  -5.888
   57    HB2  LYS   8           HB2      LYS   8  49.824   6.302  -5.094
   58    HB3  LYS   8           HB1      LYS   8  51.239   7.380  -5.179
   59    HG2  LYS   8           HG2      LYS   8  51.494   6.616  -7.622
   60    HG3  LYS   8           HG1      LYS   8  49.878   5.890  -7.458
   61    HD2  LYS   8           HD2      LYS   8  50.562   8.826  -6.984
   62    HD3  LYS   8           HD1      LYS   8  49.744   8.172  -8.421
   63    HE2  LYS   8           HE2      LYS   8  48.005   7.196  -6.739
   64    HE3  LYS   8           HE1      LYS   8  48.717   8.335  -5.569
   65    HZ1  LYS   8           HZ1      LYS   8  48.344  10.093  -7.309
   66    HZ2  LYS   8           HZ2      LYS   8  46.937   9.452  -6.602
   67    HZ3  LYS   8           HZ3      LYS   8  47.408   8.963  -8.159
   68    H    ALA   9           HN       ALA   9  50.060   5.593  -3.434
   69    HA   ALA   9           HA       ALA   9  51.587   4.264  -1.376
   70    HB1  ALA   9           HB1      ALA   9  52.161   6.234  -0.013
   71    HB2  ALA   9           HB2      ALA   9  51.591   7.303  -1.319
   72    HB3  ALA   9           HB3      ALA   9  53.011   6.261  -1.576
   73    H    ALA  10           HN       ALA  10  50.502   4.241   0.662
   74    HA   ALA  10           HA       ALA  10  47.686   4.158   0.482
   75    HB1  ALA  10           HB1      ALA  10  47.751   4.164   2.989
   76    HB2  ALA  10           HB2      ALA  10  49.490   4.537   2.896
   77    HB3  ALA  10           HB3      ALA  10  48.871   3.000   2.242
   78    H    HIS  11           HN       HIS  11  46.352   5.465   2.296
   79    HA   HIS  11           HA       HIS  11  47.031   8.267   2.565
   80    HB2  HIS  11           HB2      HIS  11  45.228   9.160   1.086
   81    HB3  HIS  11           HB1      HIS  11  46.531   8.356   0.178
   82    HD1  HIS  11           HD1      HIS  11  45.225   5.455   1.328
   83    HD2  HIS  11           HD2      HIS  11  43.451   8.392  -1.102
   84    HE1  HIS  11           HE1      HIS  11  43.361   4.321   0.001
   85    H    ALA  12           HN       ALA  12  46.389   8.189   4.657
   86    HA   ALA  12           HA       ALA  12  43.541   8.332   5.179
   87    HB1  ALA  12           HB1      ALA  12  43.920   5.838   4.947
   88    HB2  ALA  12           HB2      ALA  12  43.245   6.363   6.509
   89    HB3  ALA  12           HB3      ALA  12  44.969   5.942   6.380
   90    H    GLY  13           HN       GLY  13  43.485   9.940   6.594
   91    HA2  GLY  13           HA1      GLY  13  43.956  11.180   8.490
   92    HA3  GLY  13           HA2      GLY  13  44.771   9.750   9.154
   93    H    LYS  14           HN       LYS  14  45.554  11.497   6.153
   94    HA   LYS  14           HA       LYS  14  47.760  12.969   7.332
   95    HB2  LYS  14           HB2      LYS  14  48.744  10.703   7.432
   96    HB3  LYS  14           HB1      LYS  14  48.447  10.497   5.690
   97    HG2  LYS  14           HG2      LYS  14  49.966  12.292   5.135
   98    HG3  LYS  14           HG1      LYS  14  50.112  12.772   6.843
   99    HD2  LYS  14           HD2      LYS  14  51.152  10.580   7.369
  100    HD3  LYS  14           HD1      LYS  14  51.021  10.113   5.656
  101    HE2  LYS  14           HE2      LYS  14  52.384  12.202   5.101
  102    HE3  LYS  14           HE1      LYS  14  52.688  12.364   6.848
  103    HZ1  LYS  14           HZ1      LYS  14  54.255  10.823   6.700
  104    HZ2  LYS  14           HZ2      LYS  14  54.025  10.739   5.018
  105    HZ3  LYS  14           HZ3      LYS  14  53.164   9.700   6.050
  106    H    HIS  15           HN       HIS  15  47.583  11.217   4.219
  107    HA   HIS  15           HA       HIS  15  48.158  13.571   2.686
  108    HB2  HIS  15           HB2      HIS  15  48.533  11.207   1.934
  109    HB3  HIS  15           HB1      HIS  15  46.770  11.029   1.754
  110    HD1  HIS  15           HD1      HIS  15  49.449  13.567   0.628
  111    HD2  HIS  15           HD2      HIS  15  45.948  11.716  -0.783
  112    HE1  HIS  15           HE1      HIS  15  49.096  14.344  -1.780
  113    H    ALA  16           HN       ALA  16  45.339  12.635   4.312
  114    HA   ALA  16           HA       ALA  16  43.848  14.856   3.158
  115    HB1  ALA  16           HB1      ALA  16  43.487  13.203   1.379
  116    HB2  ALA  16           HB2      ALA  16  41.977  13.520   2.267
  117    HB3  ALA  16           HB3      ALA  16  42.898  12.029   2.578
  118    H    GLY  17           HN       GLY  17  44.631  14.500   5.715
  119    HA2  GLY  17           HA1      GLY  17  42.643  13.077   7.292
  120    HA3  GLY  17           HA2      GLY  17  43.881  14.195   7.895
  121    H    LYS  18           HN       LYS  18  42.105  15.571   5.360
  122    HA   LYS  18           HA       LYS  18  40.588  17.328   5.348
  123    HB2  LYS  18           HB2      LYS  18  39.278  15.998   7.744
  124    HB3  LYS  18           HB1      LYS  18  38.515  16.964   6.458
  125    HG2  LYS  18           HG2      LYS  18  39.809  14.220   6.136
  126    HG3  LYS  18           HG1      LYS  18  38.068  14.580   6.081
  127    HD2  LYS  18           HD2      LYS  18  38.657  16.209   4.139
  128    HD3  LYS  18           HD1      LYS  18  40.227  15.370   4.089
  129    HE2  LYS  18           HE2      LYS  18  38.801  14.262   2.497
  130    HE3  LYS  18           HE1      LYS  18  38.926  13.184   3.907
  131    HZ1  LYS  18           HZ1      LYS  18  36.670  14.924   3.100
  132    HZ2  LYS  18           HZ2      LYS  18  36.828  14.380   4.702
  133    HZ3  LYS  18           HZ3      LYS  18  36.662  13.261   3.434
  134    H    ALA  19           HN       ALA  19  42.907  17.075   7.510
  135    HA   ALA  19           HA       ALA  19  42.591  19.774   8.479
  136    HB1  ALA  19           HB1      ALA  19  40.964  18.762   9.993
  137    HB2  ALA  19           HB2      ALA  19  42.418  19.250  10.897
  138    HB3  ALA  19           HB3      ALA  19  42.157  17.537  10.489
  139    H    ALA  20           HN       ALA  20  44.229  16.859   7.975
  140    HA   ALA  20           HA       ALA  20  46.534  17.386   9.689
  141    HB1  ALA  20           HB1      ALA  20  46.040  15.113   9.050
  142    HB2  ALA  20           HB2      ALA  20  47.586  15.578   8.299
  143    HB3  ALA  20           HB3      ALA  20  46.097  15.536   7.323
  144    H    LEU  21           HN       LEU  21  46.619  16.950   6.147
  145    HA   LEU  21           HA       LEU  21  48.836  18.837   5.937
  146    HB2  LEU  21           HB2      LEU  21  48.468  16.743   4.516
  147    HB3  LEU  21           HB1      LEU  21  47.183  17.644   3.684
  148    HG   LEU  21           HG       LEU  21  49.055  19.506   3.369
  149   HD11  LEU  21          HD11      LEU  21  51.321  18.437   3.051
  150   HD12  LEU  21          HD12      LEU  21  50.702  16.977   3.855
  151   HD13  LEU  21          HD13      LEU  21  50.808  18.511   4.750
  152   HD21  LEU  21          HD21      LEU  21  48.020  18.272   1.512
  153   HD22  LEU  21          HD22      LEU  21  49.068  16.869   1.830
  154   HD23  LEU  21          HD23      LEU  21  49.776  18.396   1.250
  155    H    THR  22           HN       THR  22  45.356  18.848   5.225
  156    HA   THR  22           HA       THR  22  45.148  21.158   3.661
  157    HB   THR  22           HB       THR  22  42.901  21.501   4.760
  158    HG1  THR  22           HG1      THR  22  42.988  19.177   6.141
  159   HG21  THR  22          HG21      THR  22  43.086  19.975   2.875
  160   HG22  THR  22          HG22      THR  22  42.017  19.237   4.092
  161   HG23  THR  22          HG23      THR  22  43.701  18.681   3.932
  162    H    HIS  23           HN       HIS  23  45.478  20.904   7.210
  163    HA   HIS  23           HA       HIS  23  45.113  23.674   7.782
  164    HB2  HIS  23           HB2      HIS  23  45.185  21.790   9.457
  165    HB3  HIS  23           HB1      HIS  23  46.952  21.741   9.246
  166    HD1  HIS  23           HD1      HIS  23  47.835  24.582   9.242
  167    HD2  HIS  23           HD2      HIS  23  44.776  23.217  11.785
  168    HE1  HIS  23           HE1      HIS  23  47.645  26.250  11.168
  169    H    TYR  24           HN       TYR  24  48.275  21.997   8.004
  170    HA   TYR  24           HA       TYR  24  49.808  24.374   7.765
  171    HB2  TYR  24           HB2      TYR  24  50.514  21.501   7.048
  172    HB3  TYR  24           HB1      TYR  24  51.691  22.830   7.177
  173    HD1  TYR  24           HD1      TYR  24  52.221  23.851   9.347
  174    HD2  TYR  24           HD2      TYR  24  49.387  20.611   9.037
  175    HE1  TYR  24           HE1      TYR  24  52.329  23.520  11.815
  176    HE2  TYR  24           HE2      TYR  24  49.495  20.279  11.504
  177    HH   TYR  24           HH       TYR  24  50.570  20.822  13.376
  178    H    LEU  25           HN       LEU  25  51.412  24.806   5.969
  179    HA   LEU  25           HA       LEU  25  49.894  25.217   3.509
  180    HB2  LEU  25           HB2      LEU  25  52.883  25.631   3.833
  181    HB3  LEU  25           HB1      LEU  25  51.740  26.517   2.794
  182    HG   LEU  25           HG       LEU  25  51.861  26.586   5.842
  183   HD11  LEU  25          HD11      LEU  25  53.619  27.901   4.722
  184   HD12  LEU  25          HD12      LEU  25  52.408  28.985   5.447
  185   HD13  LEU  25          HD13      LEU  25  52.398  28.685   3.692
  186   HD21  LEU  25          HD21      LEU  25  49.540  26.760   5.260
  187   HD22  LEU  25          HD22      LEU  25  49.894  27.768   3.836
  188   HD23  LEU  25          HD23      LEU  25  50.095  28.435   5.474
  Start of MODEL   33
    1    H1   GLY   1           HT1      GLY   1  64.432  -1.616  -9.205
    2    H2   GLY   1           HT2      GLY   1  65.549  -1.372 -10.462
    3    H3   GLY   1           HT3      GLY   1  64.810  -2.889 -10.258
    4    HA2  GLY   1           HA1      GLY   1  62.772  -1.067 -10.465
    5    HA3  GLY   1           HA2      GLY   1  63.956  -0.662 -11.725
    6    H    TRP   2           HN       TRP   2  62.367  -3.524 -10.249
    7    HA   TRP   2           HA       TRP   2  62.663  -5.074 -12.713
    8    HB2  TRP   2           HB2      TRP   2  62.588  -6.047 -10.378
    9    HB3  TRP   2           HB1      TRP   2  60.858  -5.634 -10.328
   10    HD1  TRP   2           HD1      TRP   2  63.333  -7.698 -12.471
   11    HE1  TRP   2           HE1      TRP   2  62.067  -9.710 -13.527
   12    HE3  TRP   2           HE3      TRP   2  58.600  -6.617 -10.847
   13    HZ2  TRP   2           HZ2      TRP   2  59.362 -10.688 -13.634
   14    HZ3  TRP   2           HZ3      TRP   2  56.692  -8.103 -11.438
   15    HH2  TRP   2           HH2      TRP   2  57.067 -10.135 -12.830
   16    H    GLY   3           HN       GLY   3  60.900  -2.430 -12.201
   17    HA2  GLY   3           HA1      GLY   3  58.979  -3.113 -14.279
   18    HA3  GLY   3           HA2      GLY   3  58.218  -2.940 -12.684
   19    H    SER   4           HN       SER   4  58.613  -0.904 -11.497
   20    HA   SER   4           HA       SER   4  59.689   1.399 -12.841
   21    HB2  SER   4           HB2      SER   4  57.467   2.572 -13.214
   22    HB3  SER   4           HB1      SER   4  57.831   1.261 -14.358
   23    HG   SER   4           HG       SER   4  55.663   1.400 -13.159
   24    H    PHE   5           HN       PHE   5  56.576   1.796 -11.326
   25    HA   PHE   5           HA       PHE   5  57.494   1.842  -8.589
   26    HB2  PHE   5           HB2      PHE   5  58.710   3.855  -9.541
   27    HB3  PHE   5           HB1      PHE   5  57.115   4.582  -9.852
   28    HD1  PHE   5           HD1      PHE   5  55.681   5.328  -8.016
   29    HD2  PHE   5           HD2      PHE   5  59.495   3.466  -7.235
   30    HE1  PHE   5           HE1      PHE   5  55.565   6.085  -5.647
   31    HE2  PHE   5           HE2      PHE   5  59.379   4.224  -4.864
   32    HZ   PHE   5           HZ       PHE   5  57.395   5.499  -4.060
   33    H    PHE   6           HN       PHE   6  55.562   0.705  -8.302
   34    HA   PHE   6           HA       PHE   6  53.015   1.812  -9.165
   35    HB2  PHE   6           HB2      PHE   6  53.616  -0.305  -7.061
   36    HB3  PHE   6           HB1      PHE   6  52.038   0.005  -7.824
   37    HD1  PHE   6           HD1      PHE   6  55.481  -1.279  -8.361
   38    HD2  PHE   6           HD2      PHE   6  51.595  -0.652 -10.131
   39    HE1  PHE   6           HE1      PHE   6  56.106  -2.765 -10.261
   40    HE2  PHE   6           HE2      PHE   6  52.219  -2.139 -12.031
   41    HZ   PHE   6           HZ       PHE   6  54.499  -3.142 -12.128
   42    H    LYS   7           HN       LYS   7  51.300   2.566  -7.802
   43    HA   LYS   7           HA       LYS   7  52.176   4.564  -5.927
   44    HB2  LYS   7           HB2      LYS   7  49.378   3.398  -6.133
   45    HB3  LYS   7           HB1      LYS   7  49.847   5.024  -5.585
   46    HG2  LYS   7           HG2      LYS   7  50.241   3.926  -8.408
   47    HG3  LYS   7           HG1      LYS   7  48.962   5.056  -7.907
   48    HD2  LYS   7           HD2      LYS   7  50.913   6.571  -7.059
   49    HD3  LYS   7           HD1      LYS   7  51.962   5.533  -8.055
   50    HE2  LYS   7           HE2      LYS   7  50.439   6.012 -10.020
   51    HE3  LYS   7           HE1      LYS   7  49.591   7.198  -9.000
   52    HZ1  LYS   7           HZ1      LYS   7  52.347   7.656  -8.777
   53    HZ2  LYS   7           HZ2      LYS   7  51.167   8.661  -9.474
   54    HZ3  LYS   7           HZ3      LYS   7  51.988   7.522 -10.430
   55    H    LYS   8           HN       LYS   8  51.015   4.684  -3.689
   56    HA   LYS   8           HA       LYS   8  50.681   2.156  -2.287
   57    HB2  LYS   8           HB2      LYS   8  52.646   2.490  -0.752
   58    HB3  LYS   8           HB1      LYS   8  53.101   2.055  -2.416
   59    HG2  LYS   8           HG2      LYS   8  53.512   4.434  -2.942
   60    HG3  LYS   8           HG1      LYS   8  53.032   4.890  -1.290
   61    HD2  LYS   8           HD2      LYS   8  54.873   3.347  -0.442
   62    HD3  LYS   8           HD1      LYS   8  55.428   3.210  -2.127
   63    HE2  LYS   8           HE2      LYS   8  55.257   5.731  -0.431
   64    HE3  LYS   8           HE1      LYS   8  56.719   4.977  -1.110
   65    HZ1  LYS   8           HZ1      LYS   8  56.394   6.415  -2.777
   66    HZ2  LYS   8           HZ2      LYS   8  54.770   6.705  -2.370
   67    HZ3  LYS   8           HZ3      LYS   8  55.186   5.342  -3.296
   68    H    ALA   9           HN       ALA   9  50.616   5.547  -2.608
   69    HA   ALA   9           HA       ALA   9  50.128   6.210   0.182
   70    HB1  ALA   9           HB1      ALA   9  49.509   8.393  -0.666
   71    HB2  ALA   9           HB2      ALA   9  49.343   7.748  -2.317
   72    HB3  ALA   9           HB3      ALA   9  50.946   7.821  -1.544
   73    H    ALA  10           HN       ALA  10  48.572   4.460   0.629
   74    HA   ALA  10           HA       ALA  10  45.961   4.522  -0.636
   75    HB1  ALA  10           HB1      ALA  10  45.328   3.084   1.347
   76    HB2  ALA  10           HB2      ALA  10  46.993   3.293   1.939
   77    HB3  ALA  10           HB3      ALA  10  46.696   2.480   0.384
   78    H    HIS  11           HN       HIS  11  46.162   4.685   2.867
   79    HA   HIS  11           HA       HIS  11  44.181   6.883   2.866
   80    HB2  HIS  11           HB2      HIS  11  45.501   5.500   5.230
   81    HB3  HIS  11           HB1      HIS  11  43.993   6.443   5.227
   82    HD1  HIS  11           HD1      HIS  11  45.443   3.296   3.554
   83    HD2  HIS  11           HD2      HIS  11  41.744   4.902   4.746
   84    HE1  HIS  11           HE1      HIS  11  43.672   1.494   3.168
   85    H    ALA  12           HN       ALA  12  45.357   8.669   2.097
   86    HA   ALA  12           HA       ALA  12  47.899   9.493   3.049
   87    HB1  ALA  12           HB1      ALA  12  46.830  10.491   1.092
   88    HB2  ALA  12           HB2      ALA  12  47.219  11.752   2.287
   89    HB3  ALA  12           HB3      ALA  12  45.545  11.173   2.117
   90    H    GLY  13           HN       GLY  13  48.386   9.588   5.162
   91    HA2  GLY  13           HA1      GLY  13  48.343  10.355   7.343
   92    HA3  GLY  13           HA2      GLY  13  47.339  11.703   6.770
   93    H    LYS  14           HN       LYS  14  45.768  11.841   8.269
   94    HA   LYS  14           HA       LYS  14  44.486   9.389   9.313
   95    HB2  LYS  14           HB2      LYS  14  43.964  12.354   9.777
   96    HB3  LYS  14           HB1      LYS  14  43.100  11.032  10.600
   97    HG2  LYS  14           HG2      LYS  14  45.085  10.267  11.692
   98    HG3  LYS  14           HG1      LYS  14  46.137  11.231  10.630
   99    HD2  LYS  14           HD2      LYS  14  45.911  12.270  12.878
  100    HD3  LYS  14           HD1      LYS  14  45.250  13.315  11.600
  101    HE2  LYS  14           HE2      LYS  14  43.822  13.034  13.733
  102    HE3  LYS  14           HE1      LYS  14  42.997  12.781  12.177
  103    HZ1  LYS  14           HZ1      LYS  14  44.256  10.426  13.320
  104    HZ2  LYS  14           HZ2      LYS  14  42.734  10.601  12.585
  105    HZ3  LYS  14           HZ3      LYS  14  42.950  11.039  14.212
  106    H    HIS  15           HN       HIS  15  43.956   8.893   6.920
  107    HA   HIS  15           HA       HIS  15  42.320   8.664   5.297
  108    HB2  HIS  15           HB2      HIS  15  40.984   8.031   7.335
  109    HB3  HIS  15           HB1      HIS  15  40.423   9.718   7.432
  110    HD1  HIS  15           HD1      HIS  15  38.133   7.962   7.030
  111    HD2  HIS  15           HD2      HIS  15  40.544   9.064   3.763
  112    HE1  HIS  15           HE1      HIS  15  36.739   7.644   4.912
  113    H    ALA  16           HN       ALA  16  43.734  10.781   4.736
  114    HA   ALA  16           HA       ALA  16  43.726  12.896   3.774
  115    HB1  ALA  16           HB1      ALA  16  42.263  11.546   2.220
  116    HB2  ALA  16           HB2      ALA  16  41.966  13.301   2.192
  117    HB3  ALA  16           HB3      ALA  16  40.852  12.223   3.068
  118    H    GLY  17           HN       GLY  17  43.624  13.387   6.294
  119    HA2  GLY  17           HA1      GLY  17  41.203  14.606   7.279
  120    HA3  GLY  17           HA2      GLY  17  42.835  14.808   7.949
  121    H    LYS  18           HN       LYS  18  40.420  16.034   5.716
  122    HA   LYS  18           HA       LYS  18  40.179  18.115   4.736
  123    HB2  LYS  18           HB2      LYS  18  42.398  19.124   6.550
  124    HB3  LYS  18           HB1      LYS  18  41.043  20.038   5.847
  125    HG2  LYS  18           HG2      LYS  18  39.472  18.526   7.163
  126    HG3  LYS  18           HG1      LYS  18  40.909  17.892   8.002
  127    HD2  LYS  18           HD2      LYS  18  41.477  20.129   8.814
  128    HD3  LYS  18           HD1      LYS  18  40.132  20.839   7.887
  129    HE2  LYS  18           HE2      LYS  18  38.547  19.378   9.201
  130    HE3  LYS  18           HE1      LYS  18  39.924  18.876  10.210
  131    HZ1  LYS  18           HZ1      LYS  18  39.588  21.744   9.833
  132    HZ2  LYS  18           HZ2      LYS  18  40.013  20.867  11.226
  133    HZ3  LYS  18           HZ3      LYS  18  38.384  20.980  10.753
  134    H    ALA  19           HN       ALA  19  43.667  18.308   5.538
  135    HA   ALA  19           HA       ALA  19  44.304  18.056   2.613
  136    HB1  ALA  19           HB1      ALA  19  45.919  19.929   2.873
  137    HB2  ALA  19           HB2      ALA  19  45.286  20.221   4.511
  138    HB3  ALA  19           HB3      ALA  19  44.232  20.448   3.095
  139    H    ALA  20           HN       ALA  20  44.494  15.993   4.464
  140    HA   ALA  20           HA       ALA  20  46.016  14.482   5.335
  141    HB1  ALA  20           HB1      ALA  20  47.934  15.921   3.467
  142    HB2  ALA  20           HB2      ALA  20  46.874  14.561   3.027
  143    HB3  ALA  20           HB3      ALA  20  48.191  14.322   4.202
  144    H    LEU  21           HN       LEU  21  46.245  14.895   7.457
  145    HA   LEU  21           HA       LEU  21  47.222  15.681   9.407
  146    HB2  LEU  21           HB2      LEU  21  49.621  16.475   7.722
  147    HB3  LEU  21           HB1      LEU  21  49.587  15.989   9.434
  148    HG   LEU  21           HG       LEU  21  48.939  14.200   7.047
  149   HD11  LEU  21          HD11      LEU  21  51.370  14.817   7.439
  150   HD12  LEU  21          HD12      LEU  21  51.018  13.076   7.569
  151   HD13  LEU  21          HD13      LEU  21  51.238  14.053   9.041
  152   HD21  LEU  21          HD21      LEU  21  47.579  13.427   8.852
  153   HD22  LEU  21          HD22      LEU  21  48.838  13.772  10.063
  154   HD23  LEU  21          HD23      LEU  21  49.036  12.412   8.932
  155    H    THR  22           HN       THR  22  46.153  17.580   7.029
  156    HA   THR  22           HA       THR  22  45.686  19.844   6.852
  157    HB   THR  22           HB       THR  22  46.313  20.003   9.829
  158    HG1  THR  22           HG1      THR  22  44.816  18.280   9.098
  159   HG21  THR  22          HG21      THR  22  45.954  22.157   8.700
  160   HG22  THR  22          HG22      THR  22  44.563  21.775   9.743
  161   HG23  THR  22          HG23      THR  22  44.444  21.548   7.982
  162    H    HIS  23           HN       HIS  23  47.741  19.919   5.598
  163    HA   HIS  23           HA       HIS  23  50.109  21.000   6.944
  164    HB2  HIS  23           HB2      HIS  23  49.353  20.662   4.015
  165    HB3  HIS  23           HB1      HIS  23  50.925  21.289   4.570
  166    HD1  HIS  23           HD1      HIS  23  52.231  19.623   6.351
  167    HD2  HIS  23           HD2      HIS  23  49.330  17.907   3.835
  168    HE1  HIS  23           HE1      HIS  23  52.617  17.097   6.354
  169    H    TYR  24           HN       TYR  24  49.933  22.977   7.825
  170    HA   TYR  24           HA       TYR  24  48.235  25.053   6.793
  171    HB2  TYR  24           HB2      TYR  24  49.652  26.536   8.294
  172    HB3  TYR  24           HB1      TYR  24  48.909  25.133   9.099
  173    HD1  TYR  24           HD1      TYR  24  52.071  26.567   7.783
  174    HD2  TYR  24           HD2      TYR  24  50.258  23.247   9.861
  175    HE1  TYR  24           HE1      TYR  24  54.327  25.763   8.467
  176    HE2  TYR  24           HE2      TYR  24  52.514  22.442  10.546
  177    HH   TYR  24           HH       TYR  24  54.890  22.670   9.607
  178    H    LEU  25           HN       LEU  25  48.505  26.525   5.234
  179    HA   LEU  25           HA       LEU  25  50.845  26.324   3.505
  180    HB2  LEU  25           HB2      LEU  25  48.787  28.552   3.418
  181    HB3  LEU  25           HB1      LEU  25  49.702  27.824   2.077
  182    HG   LEU  25           HG       LEU  25  47.491  26.503   3.714
  183   HD11  LEU  25          HD11      LEU  25  46.335  26.445   1.512
  184   HD12  LEU  25          HD12      LEU  25  47.707  27.310   0.778
  185   HD13  LEU  25          HD13      LEU  25  46.707  28.111   2.014
  186   HD21  LEU  25          HD21      LEU  25  49.085  24.775   3.217
  187   HD22  LEU  25          HD22      LEU  25  49.385  25.419   1.585
  188   HD23  LEU  25          HD23      LEU  25  47.828  24.642   1.966
  Start of MODEL   34
    1    H1   GLY   1           HT1      GLY   1  56.497  -4.747 -12.896
    2    H2   GLY   1           HT2      GLY   1  57.028  -5.210 -11.350
    3    H3   GLY   1           HT3      GLY   1  58.154  -4.930 -12.592
    4    HA2  GLY   1           HA1      GLY   1  57.260  -3.165 -10.710
    5    HA3  GLY   1           HA2      GLY   1  58.287  -2.831 -12.118
    6    H    TRP   2           HN       TRP   2  55.189  -2.460 -10.654
    7    HA   TRP   2           HA       TRP   2  54.437  -0.431 -12.578
    8    HB2  TRP   2           HB2      TRP   2  53.924  -2.493 -13.906
    9    HB3  TRP   2           HB1      TRP   2  52.792  -2.991 -12.627
   10    HD1  TRP   2           HD1      TRP   2  53.394   0.052 -14.955
   11    HE1  TRP   2           HE1      TRP   2  51.099   1.110 -15.571
   12    HE3  TRP   2           HE3      TRP   2  50.345  -2.934 -12.127
   13    HZ2  TRP   2           HZ2      TRP   2  48.328   0.691 -14.905
   14    HZ3  TRP   2           HZ3      TRP   2  47.880  -2.587 -12.133
   15    HH2  TRP   2           HH2      TRP   2  46.869  -0.780 -13.518
   16    H    GLY   3           HN       GLY   3  54.443   0.556 -10.427
   17    HA2  GLY   3           HA1      GLY   3  51.771   0.781  -9.403
   18    HA3  GLY   3           HA2      GLY   3  52.746  -0.225  -8.312
   19    H    SER   4           HN       SER   4  54.719   1.943  -9.972
   20    HA   SER   4           HA       SER   4  55.867   3.830  -9.270
   21    HB2  SER   4           HB2      SER   4  53.341   4.586  -7.766
   22    HB3  SER   4           HB1      SER   4  54.589   5.668  -8.423
   23    HG   SER   4           HG       SER   4  53.218   5.693 -10.050
   24    H    PHE   5           HN       PHE   5  55.146   5.251  -6.679
   25    HA   PHE   5           HA       PHE   5  55.802   3.280  -4.591
   26    HB2  PHE   5           HB2      PHE   5  57.837   5.370  -5.468
   27    HB3  PHE   5           HB1      PHE   5  57.924   4.450  -3.947
   28    HD1  PHE   5           HD1      PHE   5  58.435   4.357  -7.574
   29    HD2  PHE   5           HD2      PHE   5  58.134   1.942  -4.008
   30    HE1  PHE   5           HE1      PHE   5  59.495   2.449  -8.776
   31    HE2  PHE   5           HE2      PHE   5  59.194   0.035  -5.211
   32    HZ   PHE   5           HZ       PHE   5  59.905   0.300  -7.584
   33    H    PHE   6           HN       PHE   6  53.652   4.314  -4.122
   34    HA   PHE   6           HA       PHE   6  53.608   7.100  -3.302
   35    HB2  PHE   6           HB2      PHE   6  51.746   4.774  -2.679
   36    HB3  PHE   6           HB1      PHE   6  51.414   6.476  -2.276
   37    HD1  PHE   6           HD1      PHE   6  50.873   8.107  -4.009
   38    HD2  PHE   6           HD2      PHE   6  51.823   4.023  -5.033
   39    HE1  PHE   6           HE1      PHE   6  50.008   8.484  -6.316
   40    HE2  PHE   6           HE2      PHE   6  50.959   4.400  -7.340
   41    HZ   PHE   6           HZ       PHE   6  49.988   6.610  -7.959
   42    H    LYS   7           HN       LYS   7  55.320   4.626  -2.060
   43    HA   LYS   7           HA       LYS   7  54.693   4.749   0.752
   44    HB2  LYS   7           HB2      LYS   7  57.281   4.004  -0.671
   45    HB3  LYS   7           HB1      LYS   7  56.917   3.689   1.043
   46    HG2  LYS   7           HG2      LYS   7  54.899   2.374   0.323
   47    HG3  LYS   7           HG1      LYS   7  55.402   2.599  -1.370
   48    HD2  LYS   7           HD2      LYS   7  57.546   1.467  -0.898
   49    HD3  LYS   7           HD1      LYS   7  57.073   1.262   0.806
   50    HE2  LYS   7           HE2      LYS   7  55.534   0.135  -1.574
   51    HE3  LYS   7           HE1      LYS   7  56.661  -0.796  -0.558
   52    HZ1  LYS   7           HZ1      LYS   7  54.072   0.429   0.202
   53    HZ2  LYS   7           HZ2      LYS   7  55.227   0.001   1.372
   54    HZ3  LYS   7           HZ3      LYS   7  54.563  -1.187   0.354
   55    H    LYS   8           HN       LYS   8  56.840   6.600  -1.385
   56    HA   LYS   8           HA       LYS   8  58.308   7.946   0.675
   57    HB2  LYS   8           HB2      LYS   8  57.563   9.134  -2.021
   58    HB3  LYS   8           HB1      LYS   8  59.006   9.463  -1.036
   59    HG2  LYS   8           HG2      LYS   8  58.312   6.840  -2.430
   60    HG3  LYS   8           HG1      LYS   8  59.611   7.971  -2.875
   61    HD2  LYS   8           HD2      LYS   8  60.496   7.595  -0.449
   62    HD3  LYS   8           HD1      LYS   8  59.411   6.184  -0.422
   63    HE2  LYS   8           HE2      LYS   8  61.577   5.402  -1.149
   64    HE3  LYS   8           HE1      LYS   8  60.517   5.413  -2.579
   65    HZ1  LYS   8           HZ1      LYS   8  62.921   6.552  -2.522
   66    HZ2  LYS   8           HZ2      LYS   8  61.974   7.878  -2.039
   67    HZ3  LYS   8           HZ3      LYS   8  61.659   7.097  -3.514
   68    H    ALA   9           HN       ALA   9  55.859   9.501  -1.437
   69    HA   ALA   9           HA       ALA   9  55.375  11.621   0.434
   70    HB1  ALA   9           HB1      ALA   9  54.897  11.851  -1.946
   71    HB2  ALA   9           HB2      ALA   9  53.410  12.109  -1.001
   72    HB3  ALA   9           HB3      ALA   9  53.670  10.566  -1.849
   73    H    ALA  10           HN       ALA  10  54.413  11.521   2.344
   74    HA   ALA  10           HA       ALA  10  53.007   9.251   3.314
   75    HB1  ALA  10           HB1      ALA  10  52.411  10.621   5.187
   76    HB2  ALA  10           HB2      ALA  10  52.608  12.112   4.236
   77    HB3  ALA  10           HB3      ALA  10  54.032  11.130   4.661
   78    H    HIS  11           HN       HIS  11  50.709   9.217   4.060
   79    HA   HIS  11           HA       HIS  11  48.773  10.884   2.682
   80    HB2  HIS  11           HB2      HIS  11  47.811   9.169   1.213
   81    HB3  HIS  11           HB1      HIS  11  49.508   9.478   0.772
   82    HD1  HIS  11           HD1      HIS  11  47.367   6.728   0.986
   83    HD2  HIS  11           HD2      HIS  11  51.119   7.493   2.726
   84    HE1  HIS  11           HE1      HIS  11  48.412   4.470   1.568
   85    H    ALA  12           HN       ALA  12  49.614   7.959   4.469
   86    HA   ALA  12           HA       ALA  12  48.448   6.779   6.092
   87    HB1  ALA  12           HB1      ALA  12  48.641   8.823   7.346
   88    HB2  ALA  12           HB2      ALA  12  46.994   8.190   7.590
   89    HB3  ALA  12           HB3      ALA  12  47.270   9.550   6.475
   90    H    GLY  13           HN       GLY  13  45.681   8.907   5.795
   91    HA2  GLY  13           HA1      GLY  13  43.883   6.731   5.342
   92    HA3  GLY  13           HA2      GLY  13  43.502   8.455   5.166
   93    H    LYS  14           HN       LYS  14  44.233   9.520   3.136
   94    HA   LYS  14           HA       LYS  14  44.922   7.913   0.841
   95    HB2  LYS  14           HB2      LYS  14  42.772   8.069  -0.374
   96    HB3  LYS  14           HB1      LYS  14  42.620   7.076   1.096
   97    HG2  LYS  14           HG2      LYS  14  41.796   9.146   2.306
   98    HG3  LYS  14           HG1      LYS  14  41.758   9.977   0.732
   99    HD2  LYS  14           HD2      LYS  14  40.250   8.154  -0.130
  100    HD3  LYS  14           HD1      LYS  14  40.199   7.476   1.516
  101    HE2  LYS  14           HE2      LYS  14  39.255   9.582   2.376
  102    HE3  LYS  14           HE1      LYS  14  39.355  10.308   0.755
  103    HZ1  LYS  14           HZ1      LYS  14  37.293   9.522   0.516
  104    HZ2  LYS  14           HZ2      LYS  14  37.423   8.456   1.833
  105    HZ3  LYS  14           HZ3      LYS  14  38.015   8.002   0.307
  106    H    HIS  15           HN       HIS  15  43.872   9.338  -1.226
  107    HA   HIS  15           HA       HIS  15  45.456  11.701  -1.218
  108    HB2  HIS  15           HB2      HIS  15  44.211  12.281  -3.294
  109    HB3  HIS  15           HB1      HIS  15  44.761  10.589  -3.285
  110    HD1  HIS  15           HD1      HIS  15  42.787   8.928  -2.022
  111    HD2  HIS  15           HD2      HIS  15  41.596  12.356  -4.143
  112    HE1  HIS  15           HE1      HIS  15  40.310   8.651  -2.588
  113    H    ALA  16           HN       ALA  16  45.132  13.181   0.364
  114    HA   ALA  16           HA       ALA  16  44.075  14.873   1.539
  115    HB1  ALA  16           HB1      ALA  16  43.754  15.667  -0.840
  116    HB2  ALA  16           HB2      ALA  16  42.560  16.281   0.329
  117    HB3  ALA  16           HB3      ALA  16  42.123  14.959  -0.781
  118    H    GLY  17           HN       GLY  17  43.449  12.506   2.566
  119    HA2  GLY  17           HA1      GLY  17  40.533  12.113   2.658
  120    HA3  GLY  17           HA2      GLY  17  41.767  11.208   3.558
  121    H    LYS  18           HN       LYS  18  39.684  14.032   3.496
  122    HA   LYS  18           HA       LYS  18  39.022  15.467   5.193
  123    HB2  LYS  18           HB2      LYS  18  40.035  13.335   7.110
  124    HB3  LYS  18           HB1      LYS  18  38.772  14.554   7.403
  125    HG2  LYS  18           HG2      LYS  18  37.396  13.521   5.587
  126    HG3  LYS  18           HG1      LYS  18  38.638  12.260   5.397
  127    HD2  LYS  18           HD2      LYS  18  38.308  11.532   7.716
  128    HD3  LYS  18           HD1      LYS  18  37.140  12.848   7.988
  129    HE2  LYS  18           HE2      LYS  18  35.766  11.862   6.069
  130    HE3  LYS  18           HE1      LYS  18  36.846  10.448   6.139
  131    HZ1  LYS  18           HZ1      LYS  18  35.203  11.511   8.385
  132    HZ2  LYS  18           HZ2      LYS  18  36.258  10.182   8.479
  133    HZ3  LYS  18           HZ3      LYS  18  34.878  10.107   7.491
  134    H    ALA  19           HN       ALA  19  42.086  14.868   4.427
  135    HA   ALA  19           HA       ALA  19  43.110  17.202   5.753
  136    HB1  ALA  19           HB1      ALA  19  43.944  14.511   6.884
  137    HB2  ALA  19           HB2      ALA  19  43.190  15.868   7.756
  138    HB3  ALA  19           HB3      ALA  19  44.853  16.019   7.137
  139    H    ALA  20           HN       ALA  20  44.694  17.983   4.509
  140    HA   ALA  20           HA       ALA  20  45.480  16.830   2.098
  141    HB1  ALA  20           HB1      ALA  20  45.896  19.179   2.782
  142    HB2  ALA  20           HB2      ALA  20  47.342  18.400   2.099
  143    HB3  ALA  20           HB3      ALA  20  47.193  18.614   3.860
  144    H    LEU  21           HN       LEU  21  45.941  14.641   2.218
  145    HA   LEU  21           HA       LEU  21  47.314  12.793   2.445
  146    HB2  LEU  21           HB2      LEU  21  49.584  14.710   3.079
  147    HB3  LEU  21           HB1      LEU  21  49.680  13.098   2.336
  148    HG   LEU  21           HG       LEU  21  48.351  15.549   1.094
  149   HD11  LEU  21          HD11      LEU  21  50.240  15.575  -0.426
  150   HD12  LEU  21          HD12      LEU  21  50.887  14.071   0.275
  151   HD13  LEU  21          HD13      LEU  21  50.879  15.569   1.236
  152   HD21  LEU  21          HD21      LEU  21  48.667  12.652   0.208
  153   HD22  LEU  21          HD22      LEU  21  48.430  13.965  -0.970
  154   HD23  LEU  21          HD23      LEU  21  47.188  13.640   0.259
  155    H    THR  22           HN       THR  22  49.022  14.913   4.783
  156    HA   THR  22           HA       THR  22  47.768  13.647   7.079
  157    HB   THR  22           HB       THR  22  50.691  12.921   6.620
  158    HG1  THR  22           HG1      THR  22  49.352  10.757   6.552
  159   HG21  THR  22          HG21      THR  22  50.216  11.342   8.494
  160   HG22  THR  22          HG22      THR  22  48.570  12.009   8.611
  161   HG23  THR  22          HG23      THR  22  49.976  13.042   8.967
  162    H    HIS  23           HN       HIS  23  47.626  16.123   7.005
  163    HA   HIS  23           HA       HIS  23  48.285  18.159   7.899
  164    HB2  HIS  23           HB2      HIS  23  50.076  16.471   9.687
  165    HB3  HIS  23           HB1      HIS  23  49.441  18.099  10.025
  166    HD1  HIS  23           HD1      HIS  23  48.866  14.967  11.295
  167    HD2  HIS  23           HD2      HIS  23  46.277  17.677   9.385
  168    HE1  HIS  23           HE1      HIS  23  46.482  14.353  11.979
  169    H    TYR  24           HN       TYR  24  49.321  18.769   5.917
  170    HA   TYR  24           HA       TYR  24  52.093  19.526   6.336
  171    HB2  TYR  24           HB2      TYR  24  52.375  17.127   5.682
  172    HB3  TYR  24           HB1      TYR  24  51.553  17.484   4.143
  173    HD1  TYR  24           HD1      TYR  24  52.844  18.232   2.299
  174    HD2  TYR  24           HD2      TYR  24  54.405  18.683   6.300
  175    HE1  TYR  24           HE1      TYR  24  55.000  19.059   1.366
  176    HE2  TYR  24           HE2      TYR  24  56.560  19.508   5.363
  177    HH   TYR  24           HH       TYR  24  57.825  19.178   3.223
  178    H    LEU  25           HN       LEU  25  49.425  20.634   5.664
  179    HA   LEU  25           HA       LEU  25  48.493  22.161   4.182
  180    HB2  LEU  25           HB2      LEU  25  51.337  22.774   3.312
  181    HB3  LEU  25           HB1      LEU  25  49.947  23.880   3.423
  182    HG   LEU  25           HG       LEU  25  51.379  22.533   5.758
  183   HD11  LEU  25          HD11      LEU  25  52.138  24.767   6.310
  184   HD12  LEU  25          HD12      LEU  25  51.135  25.481   5.025
  185   HD13  LEU  25          HD13      LEU  25  52.537  24.471   4.602
  186   HD21  LEU  25          HD21      LEU  25  49.846  24.154   7.079
  187   HD22  LEU  25          HD22      LEU  25  49.079  22.703   6.396
  188   HD23  LEU  25          HD23      LEU  25  48.885  24.277   5.586
  Start of MODEL   35
    1    H1   GLY   1           HT1      GLY   1  60.104   0.192  -6.956
    2    H2   GLY   1           HT2      GLY   1  61.717  -0.342  -6.925
    3    H3   GLY   1           HT3      GLY   1  61.323   1.147  -7.645
    4    HA2  GLY   1           HA1      GLY   1  60.718   0.635  -4.831
    5    HA3  GLY   1           HA2      GLY   1  62.350   1.116  -5.335
    6    H    TRP   2           HN       TRP   2  61.783   2.849  -7.433
    7    HA   TRP   2           HA       TRP   2  61.278   5.273  -6.025
    8    HB2  TRP   2           HB2      TRP   2  61.088   4.659  -9.000
    9    HB3  TRP   2           HB1      TRP   2  61.119   6.293  -8.294
   10    HD1  TRP   2           HD1      TRP   2  63.393   7.191  -7.361
   11    HE1  TRP   2           HE1      TRP   2  65.860   6.387  -7.525
   12    HE3  TRP   2           HE3      TRP   2  62.583   2.454  -9.127
   13    HZ2  TRP   2           HZ2      TRP   2  67.260   4.001  -8.323
   14    HZ3  TRP   2           HZ3      TRP   2  64.501   0.931  -9.582
   15    HH2  TRP   2           HH2      TRP   2  66.835   1.699  -9.182
   16    H    GLY   3           HN       GLY   3  59.278   4.316  -8.818
   17    HA2  GLY   3           HA1      GLY   3  56.817   4.107  -7.365
   18    HA3  GLY   3           HA2      GLY   3  57.004   5.767  -7.966
   19    H    SER   4           HN       SER   4  58.114   2.741  -9.489
   20    HA   SER   4           HA       SER   4  57.018   3.512 -12.044
   21    HB2  SER   4           HB2      SER   4  58.910   2.044 -12.019
   22    HB3  SER   4           HB1      SER   4  58.086   0.889 -10.948
   23    HG   SER   4           HG       SER   4  57.518  -0.003 -12.772
   24    H    PHE   5           HN       PHE   5  56.275   0.380 -10.538
   25    HA   PHE   5           HA       PHE   5  53.558   0.479 -11.623
   26    HB2  PHE   5           HB2      PHE   5  54.965  -1.611 -11.430
   27    HB3  PHE   5           HB1      PHE   5  54.752  -1.521  -9.665
   28    HD1  PHE   5           HD1      PHE   5  53.014  -1.995 -12.921
   29    HD2  PHE   5           HD2      PHE   5  52.615  -2.037  -8.623
   30    HE1  PHE   5           HE1      PHE   5  50.793  -3.105 -13.137
   31    HE2  PHE   5           HE2      PHE   5  50.395  -3.147  -8.840
   32    HZ   PHE   5           HZ       PHE   5  49.463  -3.636 -11.098
   33    H    PHE   6           HN       PHE   6  54.974   0.336  -8.321
   34    HA   PHE   6           HA       PHE   6  52.557   0.501  -6.878
   35    HB2  PHE   6           HB2      PHE   6  55.203   1.807  -6.133
   36    HB3  PHE   6           HB1      PHE   6  53.900   1.323  -5.021
   37    HD1  PHE   6           HD1      PHE   6  56.664   0.145  -7.172
   38    HD2  PHE   6           HD2      PHE   6  53.435  -1.059  -4.572
   39    HE1  PHE   6           HE1      PHE   6  57.624  -2.150  -7.042
   40    HE2  PHE   6           HE2      PHE   6  54.395  -3.355  -4.443
   41    HZ   PHE   6           HZ       PHE   6  56.523  -3.882  -5.629
   42    H    LYS   7           HN       LYS   7  51.615   2.298  -5.691
   43    HA   LYS   7           HA       LYS   7  52.091   5.009  -6.837
   44    HB2  LYS   7           HB2      LYS   7  49.354   3.667  -6.870
   45    HB3  LYS   7           HB1      LYS   7  49.724   5.333  -7.376
   46    HG2  LYS   7           HG2      LYS   7  51.356   4.336  -9.069
   47    HG3  LYS   7           HG1      LYS   7  50.666   2.744  -8.673
   48    HD2  LYS   7           HD2      LYS   7  48.438   3.485  -9.356
   49    HD3  LYS   7           HD1      LYS   7  49.041   5.136  -9.637
   50    HE2  LYS   7           HE2      LYS   7  48.847   3.799 -11.750
   51    HE3  LYS   7           HE1      LYS   7  50.510   4.345 -11.426
   52    HZ1  LYS   7           HZ1      LYS   7  51.199   2.253 -11.271
   53    HZ2  LYS   7           HZ2      LYS   7  49.685   1.760 -11.864
   54    HZ3  LYS   7           HZ3      LYS   7  49.962   1.830 -10.189
   55    H    LYS   8           HN       LYS   8  49.162   5.360  -5.634
   56    HA   LYS   8           HA       LYS   8  50.033   6.504  -3.164
   57    HB2  LYS   8           HB2      LYS   8  47.221   5.560  -3.843
   58    HB3  LYS   8           HB1      LYS   8  47.687   6.840  -2.696
   59    HG2  LYS   8           HG2      LYS   8  48.691   8.130  -4.587
   60    HG3  LYS   8           HG1      LYS   8  48.119   6.877  -5.716
   61    HD2  LYS   8           HD2      LYS   8  45.783   7.295  -5.003
   62    HD3  LYS   8           HD1      LYS   8  46.352   8.548  -3.873
   63    HE2  LYS   8           HE2      LYS   8  46.629   8.571  -6.910
   64    HE3  LYS   8           HE1      LYS   8  45.591   9.630  -5.926
   65    HZ1  LYS   8           HZ1      LYS   8  47.545  10.838  -6.420
   66    HZ2  LYS   8           HZ2      LYS   8  48.561   9.544  -5.993
   67    HZ3  LYS   8           HZ3      LYS   8  47.686  10.372  -4.795
   68    H    ALA   9           HN       ALA   9  47.644   5.320  -1.661
   69    HA   ALA   9           HA       ALA   9  48.396   2.550  -1.130
   70    HB1  ALA   9           HB1      ALA   9  49.255   2.862   1.122
   71    HB2  ALA   9           HB2      ALA   9  49.062   4.627   0.986
   72    HB3  ALA   9           HB3      ALA   9  50.261   3.781  -0.022
   73    H    ALA  10           HN       ALA  10  45.998   3.782  -1.859
   74    HA   ALA  10           HA       ALA  10  43.782   3.992  -1.195
   75    HB1  ALA  10           HB1      ALA  10  44.158   1.586  -0.774
   76    HB2  ALA  10           HB2      ALA  10  42.988   2.285   0.372
   77    HB3  ALA  10           HB3      ALA  10  44.660   1.965   0.890
   78    H    HIS  11           HN       HIS  11  43.581   6.079  -0.491
   79    HA   HIS  11           HA       HIS  11  44.591   7.169   1.901
   80    HB2  HIS  11           HB2      HIS  11  42.717   8.819   1.701
   81    HB3  HIS  11           HB1      HIS  11  43.594   8.564   0.174
   82    HD1  HIS  11           HD1      HIS  11  40.236   8.392   1.702
   83    HD2  HIS  11           HD2      HIS  11  42.156   6.735  -1.655
   84    HE1  HIS  11           HE1      HIS  11  38.416   7.484   0.156
   85    H    ALA  12           HN       ALA  12  43.364   7.851   3.850
   86    HA   ALA  12           HA       ALA  12  40.992   6.397   4.635
   87    HB1  ALA  12           HB1      ALA  12  43.659   5.411   5.701
   88    HB2  ALA  12           HB2      ALA  12  42.471   4.483   4.755
   89    HB3  ALA  12           HB3      ALA  12  42.078   5.008   6.411
   90    H    GLY  13           HN       GLY  13  44.034   7.369   6.290
   91    HA2  GLY  13           HA1      GLY  13  42.933   9.832   7.281
   92    HA3  GLY  13           HA2      GLY  13  42.788   8.565   8.513
   93    H    LYS  14           HN       LYS  14  45.218   9.799   6.162
   94    HA   LYS  14           HA       LYS  14  47.102  10.461   8.240
   95    HB2  LYS  14           HB2      LYS  14  47.306   8.027   8.484
   96    HB3  LYS  14           HB1      LYS  14  47.614   7.859   6.741
   97    HG2  LYS  14           HG2      LYS  14  49.698   9.064   6.907
   98    HG3  LYS  14           HG1      LYS  14  49.345   9.562   8.580
   99    HD2  LYS  14           HD2      LYS  14  49.504   7.262   9.361
  100    HD3  LYS  14           HD1      LYS  14  49.666   6.664   7.691
  101    HE2  LYS  14           HE2      LYS  14  51.882   6.756   8.722
  102    HE3  LYS  14           HE1      LYS  14  51.773   8.009   7.464
  103    HZ1  LYS  14           HZ1      LYS  14  51.601   8.342  10.406
  104    HZ2  LYS  14           HZ2      LYS  14  51.068   9.544   9.330
  105    HZ3  LYS  14           HZ3      LYS  14  52.697   9.059   9.329
  106    H    HIS  15           HN       HIS  15  47.914   8.786   5.210
  107    HA   HIS  15           HA       HIS  15  49.536  10.981   4.299
  108    HB2  HIS  15           HB2      HIS  15  49.814   8.555   3.666
  109    HB3  HIS  15           HB1      HIS  15  48.372   8.718   2.635
  110    HD1  HIS  15           HD1      HIS  15  48.707   9.643   0.323
  111    HD2  HIS  15           HD2      HIS  15  52.009  10.342   2.831
  112    HE1  HIS  15           HE1      HIS  15  50.539  10.706  -1.107
  113    H    ALA  16           HN       ALA  16  46.228  10.783   4.518
  114    HA   ALA  16           HA       ALA  16  45.872  13.088   2.783
  115    HB1  ALA  16           HB1      ALA  16  45.889  11.446   1.014
  116    HB2  ALA  16           HB2      ALA  16  44.211  11.986   1.263
  117    HB3  ALA  16           HB3      ALA  16  44.745  10.412   1.900
  118    H    GLY  17           HN       GLY  17  45.418  13.003   5.396
  119    HA2  GLY  17           HA1      GLY  17  42.459  13.230   5.531
  120    HA3  GLY  17           HA2      GLY  17  43.229  12.091   6.654
  121    H    LYS  18           HN       LYS  18  45.662  13.667   6.978
  122    HA   LYS  18           HA       LYS  18  44.952  16.310   7.909
  123    HB2  LYS  18           HB2      LYS  18  45.247  15.847  10.359
  124    HB3  LYS  18           HB1      LYS  18  43.761  15.147   9.674
  125    HG2  LYS  18           HG2      LYS  18  44.981  12.963   9.394
  126    HG3  LYS  18           HG1      LYS  18  46.377  13.682  10.234
  127    HD2  LYS  18           HD2      LYS  18  44.987  14.104  12.225
  128    HD3  LYS  18           HD1      LYS  18  43.565  13.434  11.390
  129    HE2  LYS  18           HE2      LYS  18  44.756  11.256  11.153
  130    HE3  LYS  18           HE1      LYS  18  46.137  11.931  12.052
  131    HZ1  LYS  18           HZ1      LYS  18  44.069  10.646  13.184
  132    HZ2  LYS  18           HZ2      LYS  18  43.557  12.259  13.334
  133    HZ3  LYS  18           HZ3      LYS  18  45.047  11.774  13.990
  134    H    ALA  19           HN       ALA  19  47.067  13.467   8.151
  135    HA   ALA  19           HA       ALA  19  49.399  15.104   8.915
  136    HB1  ALA  19           HB1      ALA  19  50.602  13.030   8.914
  137    HB2  ALA  19           HB2      ALA  19  49.331  12.224   7.963
  138    HB3  ALA  19           HB3      ALA  19  49.010  12.715   9.643
  139    H    ALA  20           HN       ALA  20  47.926  15.695   6.385
  140    HA   ALA  20           HA       ALA  20  50.294  15.969   4.696
  141    HB1  ALA  20           HB1      ALA  20  48.026  14.268   3.619
  142    HB2  ALA  20           HB2      ALA  20  49.543  13.595   4.263
  143    HB3  ALA  20           HB3      ALA  20  49.573  14.648   2.828
  144    H    LEU  21           HN       LEU  21  46.708  15.950   4.778
  145    HA   LEU  21           HA       LEU  21  46.417  17.987   2.761
  146    HB2  LEU  21           HB2      LEU  21  44.476  17.443   5.036
  147    HB3  LEU  21           HB1      LEU  21  44.116  18.058   3.405
  148    HG   LEU  21           HG       LEU  21  45.170  15.275   4.084
  149   HD11  LEU  21          HD11      LEU  21  42.478  16.219   2.998
  150   HD12  LEU  21          HD12      LEU  21  42.781  15.667   4.663
  151   HD13  LEU  21          HD13      LEU  21  42.950  14.530   3.304
  152   HD21  LEU  21          HD21      LEU  21  44.575  14.934   1.571
  153   HD22  LEU  21          HD22      LEU  21  46.072  15.814   1.942
  154   HD23  LEU  21          HD23      LEU  21  44.611  16.709   1.454
  155    H    THR  22           HN       THR  22  46.684  18.062   6.312
  156    HA   THR  22           HA       THR  22  46.039  20.769   6.753
  157    HB   THR  22           HB       THR  22  48.231  19.155   8.133
  158    HG1  THR  22           HG1      THR  22  46.315  18.090   8.341
  159   HG21  THR  22          HG21      THR  22  46.715  21.689   8.863
  160   HG22  THR  22          HG22      THR  22  48.476  21.478   8.703
  161   HG23  THR  22          HG23      THR  22  47.605  20.714  10.056
  162    H    HIS  23           HN       HIS  23  49.308  19.370   6.208
  163    HA   HIS  23           HA       HIS  23  50.657  21.873   6.055
  164    HB2  HIS  23           HB2      HIS  23  51.701  19.572   6.284
  165    HB3  HIS  23           HB1      HIS  23  51.398  19.337   4.546
  166    HD1  HIS  23           HD1      HIS  23  52.226  21.797   3.175
  167    HD2  HIS  23           HD2      HIS  23  54.322  20.378   6.533
  168    HE1  HIS  23           HE1      HIS  23  54.555  22.848   3.120
  169    H    TYR  24           HN       TYR  24  51.248  23.211   4.366
  170    HA   TYR  24           HA       TYR  24  49.345  23.501   2.248
  171    HB2  TYR  24           HB2      TYR  24  52.192  24.574   2.377
  172    HB3  TYR  24           HB1      TYR  24  50.861  25.204   1.376
  173    HD1  TYR  24           HD1      TYR  24  48.786  26.134   2.512
  174    HD2  TYR  24           HD2      TYR  24  52.401  25.208   4.684
  175    HE1  TYR  24           HE1      TYR  24  48.012  27.553   4.408
  176    HE2  TYR  24           HE2      TYR  24  51.626  26.629   6.579
  177    HH   TYR  24           HH       TYR  24  49.619  28.963   6.302
  178    H    LEU  25           HN       LEU  25  50.277  23.781  -0.124
  179    HA   LEU  25           HA       LEU  25  50.813  22.563  -2.031
  180    HB2  LEU  25           HB2      LEU  25  53.138  21.474  -0.403
  181    HB3  LEU  25           HB1      LEU  25  53.059  21.749  -2.158
  182    HG   LEU  25           HG       LEU  25  52.936  23.930  -0.024
  183   HD11  LEU  25          HD11      LEU  25  55.193  24.520  -0.860
  184   HD12  LEU  25          HD12      LEU  25  55.150  23.124  -1.964
  185   HD13  LEU  25          HD13      LEU  25  55.164  22.866  -0.202
  186   HD21  LEU  25          HD21      LEU  25  52.847  23.944  -3.071
  187   HD22  LEU  25          HD22      LEU  25  53.367  25.371  -2.144
  188   HD23  LEU  25          HD23      LEU  25  51.726  24.722  -1.928
  Start of MODEL   36
    1    H1   GLY   1           HT1      GLY   1  58.633   6.015  -0.638
    2    H2   GLY   1           HT2      GLY   1  59.849   5.038  -1.315
    3    H3   GLY   1           HT3      GLY   1  58.479   5.453  -2.231
    4    HA2  GLY   1           HA1      GLY   1  60.217   7.531  -1.143
    5    HA3  GLY   1           HA2      GLY   1  60.671   6.665  -2.623
    6    H    TRP   2           HN       TRP   2  60.514   8.628  -3.802
    7    HA   TRP   2           HA       TRP   2  58.085  10.174  -3.889
    8    HB2  TRP   2           HB2      TRP   2  59.062  11.073  -6.023
    9    HB3  TRP   2           HB1      TRP   2  60.179  11.138  -4.640
   10    HD1  TRP   2           HD1      TRP   2  62.198   9.401  -4.601
   11    HE1  TRP   2           HE1      TRP   2  63.377   8.030  -6.470
   12    HE3  TRP   2           HE3      TRP   2  58.661   9.834  -8.276
   13    HZ2  TRP   2           HZ2      TRP   2  62.830   7.245  -9.185
   14    HZ3  TRP   2           HZ3      TRP   2  59.010   8.767 -10.498
   15    HH2  TRP   2           HH2      TRP   2  61.089   7.473 -10.955
   16    H    GLY   3           HN       GLY   3  59.360   7.478  -5.856
   17    HA2  GLY   3           HA1      GLY   3  57.375   7.491  -7.869
   18    HA3  GLY   3           HA2      GLY   3  58.281   6.064  -7.330
   19    H    SER   4           HN       SER   4  57.505   5.252  -5.061
   20    HA   SER   4           HA       SER   4  55.782   4.109  -4.003
   21    HB2  SER   4           HB2      SER   4  53.941   5.455  -3.234
   22    HB3  SER   4           HB1      SER   4  55.375   6.504  -3.283
   23    HG   SER   4           HG       SER   4  53.288   6.300  -5.213
   24    H    PHE   5           HN       PHE   5  52.869   4.777  -4.583
   25    HA   PHE   5           HA       PHE   5  52.492   3.854  -7.358
   26    HB2  PHE   5           HB2      PHE   5  51.677   2.065  -5.031
   27    HB3  PHE   5           HB1      PHE   5  51.340   1.777  -6.755
   28    HD1  PHE   5           HD1      PHE   5  53.894   1.692  -4.103
   29    HD2  PHE   5           HD2      PHE   5  53.188   1.265  -8.339
   30    HE1  PHE   5           HE1      PHE   5  56.116   0.598  -4.363
   31    HE2  PHE   5           HE2      PHE   5  55.411   0.171  -8.599
   32    HZ   PHE   5           HZ       PHE   5  56.902  -0.102  -6.621
   33    H    PHE   6           HN       PHE   6  49.926   2.944  -7.241
   34    HA   PHE   6           HA       PHE   6  48.450   5.388  -6.924
   35    HB2  PHE   6           HB2      PHE   6  47.431   2.525  -7.119
   36    HB3  PHE   6           HB1      PHE   6  46.472   3.999  -7.391
   37    HD1  PHE   6           HD1      PHE   6  49.096   1.782  -8.747
   38    HD2  PHE   6           HD2      PHE   6  46.870   5.428  -9.363
   39    HE1  PHE   6           HE1      PHE   6  49.861   1.848 -11.118
   40    HE2  PHE   6           HE2      PHE   6  47.636   5.494 -11.734
   41    HZ   PHE   6           HZ       PHE   6  49.179   3.736 -12.593
   42    H    LYS   7           HN       LYS   7  46.634   5.802  -5.512
   43    HA   LYS   7           HA       LYS   7  47.288   5.405  -2.753
   44    HB2  LYS   7           HB2      LYS   7  44.585   6.117  -3.958
   45    HB3  LYS   7           HB1      LYS   7  45.124   6.432  -2.290
   46    HG2  LYS   7           HG2      LYS   7  47.065   7.772  -3.327
   47    HG3  LYS   7           HG1      LYS   7  46.178   7.667  -4.867
   48    HD2  LYS   7           HD2      LYS   7  45.038   8.805  -2.274
   49    HD3  LYS   7           HD1      LYS   7  45.688   9.781  -3.611
   50    HE2  LYS   7           HE2      LYS   7  43.986   8.527  -5.117
   51    HE3  LYS   7           HE1      LYS   7  43.219   8.009  -3.597
   52    HZ1  LYS   7           HZ1      LYS   7  43.306  10.488  -3.009
   53    HZ2  LYS   7           HZ2      LYS   7  42.135   9.971  -4.128
   54    HZ3  LYS   7           HZ3      LYS   7  43.548  10.746  -4.668
   55    H    LYS   8           HN       LYS   8  46.054   3.248  -5.007
   56    HA   LYS   8           HA       LYS   8  44.103   1.835  -3.440
   57    HB2  LYS   8           HB2      LYS   8  44.552   1.647  -5.953
   58    HB3  LYS   8           HB1      LYS   8  45.943   0.620  -5.533
   59    HG2  LYS   8           HG2      LYS   8  44.402  -0.893  -4.265
   60    HG3  LYS   8           HG1      LYS   8  43.028   0.106  -4.796
   61    HD2  LYS   8           HD2      LYS   8  43.451  -0.418  -7.121
   62    HD3  LYS   8           HD1      LYS   8  44.986  -1.224  -6.714
   63    HE2  LYS   8           HE2      LYS   8  43.262  -2.922  -7.074
   64    HE3  LYS   8           HE1      LYS   8  43.697  -2.890  -5.349
   65    HZ1  LYS   8           HZ1      LYS   8  41.491  -2.713  -5.071
   66    HZ2  LYS   8           HZ2      LYS   8  41.211  -2.157  -6.652
   67    HZ3  LYS   8           HZ3      LYS   8  41.726  -1.076  -5.448
   68    H    ALA   9           HN       ALA   9  47.558   2.035  -3.301
   69    HA   ALA   9           HA       ALA   9  48.410  -0.422  -2.352
   70    HB1  ALA   9           HB1      ALA   9  49.870   1.530  -2.614
   71    HB2  ALA   9           HB2      ALA   9  50.059   0.812  -0.996
   72    HB3  ALA   9           HB3      ALA   9  49.108   2.302  -1.205
   73    H    ALA  10           HN       ALA  10  47.677   2.161   0.021
   74    HA   ALA  10           HA       ALA  10  45.787   0.510   1.489
   75    HB1  ALA  10           HB1      ALA  10  47.786  -0.710   2.129
   76    HB2  ALA  10           HB2      ALA  10  47.208   0.238   3.521
   77    HB3  ALA  10           HB3      ALA  10  48.608   0.802   2.577
   78    H    HIS  11           HN       HIS  11  47.381   3.362   0.709
   79    HA   HIS  11           HA       HIS  11  47.141   4.985   2.997
   80    HB2  HIS  11           HB2      HIS  11  46.589   5.729   0.096
   81    HB3  HIS  11           HB1      HIS  11  46.924   6.875   1.417
   82    HD1  HIS  11           HD1      HIS  11  48.961   7.243  -0.594
   83    HD2  HIS  11           HD2      HIS  11  49.248   4.050   2.129
   84    HE1  HIS  11           HE1      HIS  11  51.401   6.485  -0.563
   85    H    ALA  12           HN       ALA  12  45.427   5.000   4.316
   86    HA   ALA  12           HA       ALA  12  42.714   4.637   3.342
   87    HB1  ALA  12           HB1      ALA  12  43.720   5.665   6.019
   88    HB2  ALA  12           HB2      ALA  12  43.439   3.957   5.602
   89    HB3  ALA  12           HB3      ALA  12  42.072   5.094   5.664
   90    H    GLY  13           HN       GLY  13  44.702   7.118   2.779
   91    HA2  GLY  13           HA1      GLY  13  44.247   9.258   2.005
   92    HA3  GLY  13           HA2      GLY  13  42.518   8.954   2.258
   93    H    LYS  14           HN       LYS  14  45.497   9.354   4.239
   94    HA   LYS  14           HA       LYS  14  44.460  11.697   5.568
   95    HB2  LYS  14           HB2      LYS  14  43.003   9.876   6.582
   96    HB3  LYS  14           HB1      LYS  14  44.486   9.188   7.284
   97    HG2  LYS  14           HG2      LYS  14  44.944  11.376   8.401
   98    HG3  LYS  14           HG1      LYS  14  43.410  12.004   7.751
   99    HD2  LYS  14           HD2      LYS  14  42.220  10.099   8.912
  100    HD3  LYS  14           HD1      LYS  14  43.768   9.672   9.680
  101    HE2  LYS  14           HE2      LYS  14  43.900  11.926  10.690
  102    HE3  LYS  14           HE1      LYS  14  42.362  12.369   9.912
  103    HZ1  LYS  14           HZ1      LYS  14  41.311  10.519  11.123
  104    HZ2  LYS  14           HZ2      LYS  14  41.967  11.685  12.171
  105    HZ3  LYS  14           HZ3      LYS  14  42.775  10.210  11.922
  106    H    HIS  15           HN       HIS  15  46.261   8.844   6.791
  107    HA   HIS  15           HA       HIS  15  48.368  10.413   7.914
  108    HB2  HIS  15           HB2      HIS  15  48.409   7.512   6.993
  109    HB3  HIS  15           HB1      HIS  15  49.583   8.275   8.093
  110    HD1  HIS  15           HD1      HIS  15  47.982   5.908   9.171
  111    HD2  HIS  15           HD2      HIS  15  46.593   9.870   9.399
  112    HE1  HIS  15           HE1      HIS  15  46.312   6.020  11.101
  113    H    ALA  16           HN       ALA  16  47.674   9.553   4.654
  114    HA   ALA  16           HA       ALA  16  50.029  10.990   3.723
  115    HB1  ALA  16           HB1      ALA  16  49.902   7.991   3.253
  116    HB2  ALA  16           HB2      ALA  16  51.097   8.844   4.258
  117    HB3  ALA  16           HB3      ALA  16  51.058   9.113   2.499
  118    H    GLY  17           HN       GLY  17  47.559  11.725   3.232
  119    HA2  GLY  17           HA1      GLY  17  47.347  11.426   0.351
  120    HA3  GLY  17           HA2      GLY  17  46.052  10.563   1.203
  121    H    LYS  18           HN       LYS  18  46.999  13.103   3.133
  122    HA   LYS  18           HA       LYS  18  45.577  15.265   1.794
  123    HB2  LYS  18           HB2      LYS  18  43.707  13.713   2.565
  124    HB3  LYS  18           HB1      LYS  18  44.209  14.071   4.234
  125    HG2  LYS  18           HG2      LYS  18  43.956  16.542   3.676
  126    HG3  LYS  18           HG1      LYS  18  43.212  16.046   2.138
  127    HD2  LYS  18           HD2      LYS  18  42.218  15.212   4.901
  128    HD3  LYS  18           HD1      LYS  18  41.520  16.526   3.929
  129    HE2  LYS  18           HE2      LYS  18  41.266  14.713   2.056
  130    HE3  LYS  18           HE1      LYS  18  41.498  13.542   3.378
  131    HZ1  LYS  18           HZ1      LYS  18  39.593  14.286   4.461
  132    HZ2  LYS  18           HZ2      LYS  18  39.132  14.277   2.824
  133    HZ3  LYS  18           HZ3      LYS  18  39.526  15.742   3.592
  134    H    ALA  19           HN       ALA  19  46.229  13.975   5.094
  135    HA   ALA  19           HA       ALA  19  46.974  16.636   6.066
  136    HB1  ALA  19           HB1      ALA  19  47.296  13.878   7.302
  137    HB2  ALA  19           HB2      ALA  19  45.924  14.987   7.544
  138    HB3  ALA  19           HB3      ALA  19  47.542  15.427   8.142
  139    H    ALA  20           HN       ALA  20  48.471  15.448   3.754
  140    HA   ALA  20           HA       ALA  20  51.117  16.240   4.645
  141    HB1  ALA  20           HB1      ALA  20  50.604  13.301   4.080
  142    HB2  ALA  20           HB2      ALA  20  51.189  14.018   5.600
  143    HB3  ALA  20           HB3      ALA  20  52.218  14.047   4.147
  144    H    LEU  21           HN       LEU  21  49.245  14.345   2.251
  145    HA   LEU  21           HA       LEU  21  51.011  14.887   0.052
  146    HB2  LEU  21           HB2      LEU  21  49.020  13.169   0.336
  147    HB3  LEU  21           HB1      LEU  21  48.024  14.491  -0.310
  148    HG   LEU  21           HG       LEU  21  50.477  13.254  -1.647
  149   HD11  LEU  21          HD11      LEU  21  48.814  12.489  -3.325
  150   HD12  LEU  21          HD12      LEU  21  47.507  13.196  -2.345
  151   HD13  LEU  21          HD13      LEU  21  48.458  11.831  -1.711
  152   HD21  LEU  21          HD21      LEU  21  49.585  14.720  -3.612
  153   HD22  LEU  21          HD22      LEU  21  50.483  15.539  -2.316
  154   HD23  LEU  21          HD23      LEU  21  48.705  15.626  -2.358
  155    H    THR  22           HN       THR  22  47.727  16.244   0.652
  156    HA   THR  22           HA       THR  22  47.924  18.337  -1.237
  157    HB   THR  22           HB       THR  22  46.442  18.459   1.428
  158    HG1  THR  22           HG1      THR  22  46.183  16.673  -0.372
  159   HG21  THR  22          HG21      THR  22  46.502  20.614   0.321
  160   HG22  THR  22          HG22      THR  22  44.891  19.906   0.052
  161   HG23  THR  22          HG23      THR  22  46.107  19.873  -1.247
  162    H    HIS  23           HN       HIS  23  47.974  18.954   2.291
  163    HA   HIS  23           HA       HIS  23  49.722  21.312   1.813
  164    HB2  HIS  23           HB2      HIS  23  47.688  21.365   3.326
  165    HB3  HIS  23           HB1      HIS  23  48.563  20.279   4.431
  166    HD1  HIS  23           HD1      HIS  23  49.265  21.739   6.348
  167    HD2  HIS  23           HD2      HIS  23  49.936  23.575   2.626
  168    HE1  HIS  23           HE1      HIS  23  50.542  23.908   6.787
  169    H    TYR  24           HN       TYR  24  51.678  21.672   2.989
  170    HA   TYR  24           HA       TYR  24  52.890  19.535   4.538
  171    HB2  TYR  24           HB2      TYR  24  53.061  18.665   2.146
  172    HB3  TYR  24           HB1      TYR  24  54.137  20.043   1.811
  173    HD1  TYR  24           HD1      TYR  24  56.339  20.235   2.944
  174    HD2  TYR  24           HD2      TYR  24  53.782  16.809   3.549
  175    HE1  TYR  24           HE1      TYR  24  58.253  18.979   3.925
  176    HE2  TYR  24           HE2      TYR  24  55.698  15.554   4.530
  177    HH   TYR  24           HH       TYR  24  57.894  15.579   4.963
  178    H    LEU  25           HN       LEU  25  52.703  22.663   3.217
  179    HA   LEU  25           HA       LEU  25  55.383  23.576   3.838
  180    HB2  LEU  25           HB2      LEU  25  52.880  25.296   3.793
  181    HB3  LEU  25           HB1      LEU  25  54.552  25.764   3.402
  182    HG   LEU  25           HG       LEU  25  52.807  23.830   1.813
  183   HD11  LEU  25          HD11      LEU  25  52.879  25.586   0.088
  184   HD12  LEU  25          HD12      LEU  25  53.885  26.606   1.146
  185   HD13  LEU  25          HD13      LEU  25  52.203  26.239   1.600
  186   HD21  LEU  25          HD21      LEU  25  55.057  23.057   1.569
  187   HD22  LEU  25          HD22      LEU  25  55.712  24.713   1.546
  188   HD23  LEU  25          HD23      LEU  25  54.787  24.099   0.154
  Start of MODEL   37
    1    H1   GLY   1           HT1      GLY   1  63.148  -1.144  -6.291
    2    H2   GLY   1           HT2      GLY   1  63.551  -2.795  -6.342
    3    H3   GLY   1           HT3      GLY   1  63.012  -2.090  -4.891
    4    HA2  GLY   1           HA1      GLY   1  61.522  -2.825  -7.288
    5    HA3  GLY   1           HA2      GLY   1  61.164  -3.164  -5.584
    6    H    TRP   2           HN       TRP   2  61.168  -0.707  -8.128
    7    HA   TRP   2           HA       TRP   2  58.778   0.515  -7.006
    8    HB2  TRP   2           HB2      TRP   2  59.841   2.792  -6.698
    9    HB3  TRP   2           HB1      TRP   2  60.297   1.585  -5.472
   10    HD1  TRP   2           HD1      TRP   2  61.650   3.177  -8.722
   11    HE1  TRP   2           HE1      TRP   2  64.250   3.087  -8.697
   12    HE3  TRP   2           HE3      TRP   2  62.324   0.499  -4.410
   13    HZ2  TRP   2           HZ2      TRP   2  66.313   1.989  -7.016
   14    HZ3  TRP   2           HZ3      TRP   2  64.617  -0.058  -3.615
   15    HH2  TRP   2           HH2      TRP   2  66.610   0.683  -4.912
   16    H    GLY   3           HN       GLY   3  58.678   2.912  -8.191
   17    HA2  GLY   3           HA1      GLY   3  58.631   4.037 -10.229
   18    HA3  GLY   3           HA2      GLY   3  59.767   2.851 -10.900
   19    H    SER   4           HN       SER   4  58.552   0.485 -10.781
   20    HA   SER   4           HA       SER   4  56.528   0.734 -12.853
   21    HB2  SER   4           HB2      SER   4  57.546  -1.637 -11.245
   22    HB3  SER   4           HB1      SER   4  56.374  -1.768 -12.576
   23    HG   SER   4           HG       SER   4  57.902  -1.142 -13.988
   24    H    PHE   5           HN       PHE   5  54.352  -0.011 -12.788
   25    HA   PHE   5           HA       PHE   5  52.229   0.089 -11.851
   26    HB2  PHE   5           HB2      PHE   5  53.699  -1.437  -9.665
   27    HB3  PHE   5           HB1      PHE   5  51.929  -1.314  -9.802
   28    HD1  PHE   5           HD1      PHE   5  50.773  -2.190 -11.877
   29    HD2  PHE   5           HD2      PHE   5  54.941  -2.958 -11.055
   30    HE1  PHE   5           HE1      PHE   5  50.755  -4.059 -13.525
   31    HE2  PHE   5           HE2      PHE   5  54.921  -4.827 -12.702
   32    HZ   PHE   5           HZ       PHE   5  52.841  -5.346 -13.972
   33    H    PHE   6           HN       PHE   6  51.258   0.281  -9.268
   34    HA   PHE   6           HA       PHE   6  52.565   2.654  -8.024
   35    HB2  PHE   6           HB2      PHE   6  50.329   3.847  -8.016
   36    HB3  PHE   6           HB1      PHE   6  51.109   3.734  -9.612
   37    HD1  PHE   6           HD1      PHE   6  50.144   2.403 -11.391
   38    HD2  PHE   6           HD2      PHE   6  48.427   2.335  -7.431
   39    HE1  PHE   6           HE1      PHE   6  48.142   1.217 -12.280
   40    HE2  PHE   6           HE2      PHE   6  46.425   1.147  -8.320
   41    HZ   PHE   6           HZ       PHE   6  46.253   0.649 -10.756
   42    H    LYS   7           HN       LYS   7  50.817   3.404  -6.193
   43    HA   LYS   7           HA       LYS   7  49.370   1.231  -4.943
   44    HB2  LYS   7           HB2      LYS   7  51.807   0.557  -4.576
   45    HB3  LYS   7           HB1      LYS   7  51.962   2.006  -3.556
   46    HG2  LYS   7           HG2      LYS   7  50.163   1.206  -2.087
   47    HG3  LYS   7           HG1      LYS   7  49.910  -0.212  -3.135
   48    HD2  LYS   7           HD2      LYS   7  52.306  -0.875  -2.707
   49    HD3  LYS   7           HD1      LYS   7  52.416   0.457  -1.531
   50    HE2  LYS   7           HE2      LYS   7  51.889  -1.709  -0.423
   51    HE3  LYS   7           HE1      LYS   7  50.574  -0.527  -0.218
   52    HZ1  LYS   7           HZ1      LYS   7  50.335  -2.122  -2.605
   53    HZ2  LYS   7           HZ2      LYS   7  49.181  -1.779  -1.406
   54    HZ3  LYS   7           HZ3      LYS   7  50.291  -3.047  -1.183
   55    H    LYS   8           HN       LYS   8  48.203   3.431  -5.405
   56    HA   LYS   8           HA       LYS   8  48.717   5.587  -3.533
   57    HB2  LYS   8           HB2      LYS   8  46.217   4.921  -5.140
   58    HB3  LYS   8           HB1      LYS   8  46.553   6.468  -4.325
   59    HG2  LYS   8           HG2      LYS   8  48.682   6.620  -5.709
   60    HG3  LYS   8           HG1      LYS   8  48.095   5.219  -6.636
   61    HD2  LYS   8           HD2      LYS   8  45.973   6.512  -7.107
   62    HD3  LYS   8           HD1      LYS   8  46.735   7.930  -6.346
   63    HE2  LYS   8           HE2      LYS   8  47.770   6.408  -8.778
   64    HE3  LYS   8           HE1      LYS   8  47.047   8.035  -8.779
   65    HZ1  LYS   8           HZ1      LYS   8  48.919   8.485  -7.037
   66    HZ2  LYS   8           HZ2      LYS   8  49.270   8.524  -8.699
   67    HZ3  LYS   8           HZ3      LYS   8  49.672   7.156  -7.774
   68    H    ALA   9           HN       ALA   9  47.317   2.500  -3.218
   69    HA   ALA   9           HA       ALA   9  45.329   3.190  -1.189
   70    HB1  ALA   9           HB1      ALA   9  45.235   1.153  -2.646
   71    HB2  ALA   9           HB2      ALA   9  45.101   0.801  -0.906
   72    HB3  ALA   9           HB3      ALA   9  46.636   0.509  -1.758
   73    H    ALA  10           HN       ALA  10  47.099   4.608  -0.111
   74    HA   ALA  10           HA       ALA  10  47.822   3.272   2.348
   75    HB1  ALA  10           HB1      ALA  10  50.212   3.298   2.196
   76    HB2  ALA  10           HB2      ALA  10  50.164   4.112   0.615
   77    HB3  ALA  10           HB3      ALA  10  49.609   2.428   0.768
   78    H    HIS  11           HN       HIS  11  46.284   5.306   2.346
   79    HA   HIS  11           HA       HIS  11  47.551   7.896   2.147
   80    HB2  HIS  11           HB2      HIS  11  45.091   7.108   3.758
   81    HB3  HIS  11           HB1      HIS  11  45.526   8.740   3.195
   82    HD1  HIS  11           HD1      HIS  11  43.580   5.809   2.258
   83    HD2  HIS  11           HD2      HIS  11  45.764   8.718   0.150
   84    HE1  HIS  11           HE1      HIS  11  42.751   5.780  -0.159
   85    H    ALA  12           HN       ALA  12  45.992   7.999   5.079
   86    HA   ALA  12           HA       ALA  12  46.781   8.418   7.220
   87    HB1  ALA  12           HB1      ALA  12  47.099   5.929   7.058
   88    HB2  ALA  12           HB2      ALA  12  48.206   6.736   8.196
   89    HB3  ALA  12           HB3      ALA  12  48.790   6.230   6.592
   90    H    GLY  13           HN       GLY  13  47.624  10.435   7.237
   91    HA2  GLY  13           HA1      GLY  13  49.240  12.089   7.217
   92    HA3  GLY  13           HA2      GLY  13  50.390  10.806   7.645
   93    H    LYS  14           HN       LYS  14  48.444  11.438   4.700
   94    HA   LYS  14           HA       LYS  14  50.767  12.249   3.157
   95    HB2  LYS  14           HB2      LYS  14  51.118   9.739   3.457
   96    HB3  LYS  14           HB1      LYS  14  49.646   9.503   2.485
   97    HG2  LYS  14           HG2      LYS  14  50.767  11.022   0.716
   98    HG3  LYS  14           HG1      LYS  14  52.269  10.803   1.646
   99    HD2  LYS  14           HD2      LYS  14  50.564   8.542   0.510
  100    HD3  LYS  14           HD1      LYS  14  52.067   9.155  -0.218
  101    HE2  LYS  14           HE2      LYS  14  53.172   8.648   2.075
  102    HE3  LYS  14           HE1      LYS  14  51.706   7.697   2.423
  103    HZ1  LYS  14           HZ1      LYS  14  53.248   6.217   1.476
  104    HZ2  LYS  14           HZ2      LYS  14  53.669   7.296   0.233
  105    HZ3  LYS  14           HZ3      LYS  14  52.140   6.555   0.238
  106    H    HIS  15           HN       HIS  15  50.202  13.105   1.185
  107    HA   HIS  15           HA       HIS  15  48.742  14.131  -0.298
  108    HB2  HIS  15           HB2      HIS  15  47.408  11.409  -0.033
  109    HB3  HIS  15           HB1      HIS  15  46.989  12.615  -1.272
  110    HD1  HIS  15           HD1      HIS  15  49.764  13.672  -2.050
  111    HD2  HIS  15           HD2      HIS  15  48.867   9.593  -1.560
  112    HE1  HIS  15           HE1      HIS  15  51.521  12.345  -3.345
  113    H    ALA  16           HN       ALA  16  46.103  12.177   0.988
  114    HA   ALA  16           HA       ALA  16  44.868  14.690   2.126
  115    HB1  ALA  16           HB1      ALA  16  42.728  13.808   1.504
  116    HB2  ALA  16           HB2      ALA  16  43.439  12.239   1.054
  117    HB3  ALA  16           HB3      ALA  16  43.785  13.687   0.078
  118    H    GLY  17           HN       GLY  17  46.333  13.848   3.997
  119    HA2  GLY  17           HA1      GLY  17  45.280  11.540   5.455
  120    HA3  GLY  17           HA2      GLY  17  46.519  12.683   6.009
  121    H    LYS  18           HN       LYS  18  43.524  13.962   4.798
  122    HA   LYS  18           HA       LYS  18  41.864  15.175   5.870
  123    HB2  LYS  18           HB2      LYS  18  42.240  13.173   8.130
  124    HB3  LYS  18           HB1      LYS  18  40.785  14.134   7.771
  125    HG2  LYS  18           HG2      LYS  18  40.774  12.987   5.465
  126    HG3  LYS  18           HG1      LYS  18  41.983  11.866   6.134
  127    HD2  LYS  18           HD2      LYS  18  39.183  12.367   7.240
  128    HD3  LYS  18           HD1      LYS  18  39.729  10.911   6.378
  129    HE2  LYS  18           HE2      LYS  18  41.544  10.731   8.240
  130    HE3  LYS  18           HE1      LYS  18  40.530  11.889   9.137
  131    HZ1  LYS  18           HZ1      LYS  18  39.401  10.098   9.787
  132    HZ2  LYS  18           HZ2      LYS  18  40.098   9.096   8.606
  133    HZ3  LYS  18           HZ3      LYS  18  38.748  10.054   8.222
  134    H    ALA  19           HN       ALA  19  44.942  15.352   6.679
  135    HA   ALA  19           HA       ALA  19  44.545  17.681   8.388
  136    HB1  ALA  19           HB1      ALA  19  44.361  15.749  10.008
  137    HB2  ALA  19           HB2      ALA  19  45.670  16.904  10.360
  138    HB3  ALA  19           HB3      ALA  19  46.042  15.337   9.600
  139    H    ALA  20           HN       ALA  20  46.620  15.283   6.843
  140    HA   ALA  20           HA       ALA  20  49.132  16.526   7.142
  141    HB1  ALA  20           HB1      ALA  20  47.945  14.975   4.819
  142    HB2  ALA  20           HB2      ALA  20  48.967  14.353   6.137
  143    HB3  ALA  20           HB3      ALA  20  49.658  15.449   4.915
  144    H    LEU  21           HN       LEU  21  48.173  16.567   3.813
  145    HA   LEU  21           HA       LEU  21  48.923  19.404   3.615
  146    HB2  LEU  21           HB2      LEU  21  47.759  17.652   1.423
  147    HB3  LEU  21           HB1      LEU  21  48.809  19.080   1.256
  148    HG   LEU  21           HG       LEU  21  49.583  16.391   2.474
  149   HD11  LEU  21          HD11      LEU  21  51.135  16.304   0.528
  150   HD12  LEU  21          HD12      LEU  21  50.459  17.841  -0.065
  151   HD13  LEU  21          HD13      LEU  21  49.435  16.387   0.010
  152   HD21  LEU  21          HD21      LEU  21  51.028  19.066   2.281
  153   HD22  LEU  21          HD22      LEU  21  51.925  17.534   2.402
  154   HD23  LEU  21          HD23      LEU  21  50.818  18.018   3.704
  155    H    THR  22           HN       THR  22  46.097  17.760   4.410
  156    HA   THR  22           HA       THR  22  44.064  19.081   2.981
  157    HB   THR  22           HB       THR  22  44.037  18.380   5.952
  158    HG1  THR  22           HG1      THR  22  43.698  16.395   5.316
  159   HG21  THR  22          HG21      THR  22  42.164  19.799   5.432
  160   HG22  THR  22          HG22      THR  22  41.549  18.128   5.452
  161   HG23  THR  22          HG23      THR  22  41.861  18.945   3.901
  162    H    HIS  23           HN       HIS  23  44.813  19.987   6.360
  163    HA   HIS  23           HA       HIS  23  43.934  22.744   5.818
  164    HB2  HIS  23           HB2      HIS  23  45.194  21.604   8.340
  165    HB3  HIS  23           HB1      HIS  23  44.210  23.080   8.190
  166    HD1  HIS  23           HD1      HIS  23  41.779  22.310   6.693
  167    HD2  HIS  23           HD2      HIS  23  43.588  19.622   9.374
  168    HE1  HIS  23           HE1      HIS  23  39.994  20.627   7.404
  169    H    TYR  24           HN       TYR  24  45.741  23.978   7.732
  170    HA   TYR  24           HA       TYR  24  47.745  24.907   5.927
  171    HB2  TYR  24           HB2      TYR  24  47.813  24.994   8.968
  172    HB3  TYR  24           HB1      TYR  24  48.679  26.069   7.845
  173    HD1  TYR  24           HD1      TYR  24  45.462  25.312   9.445
  174    HD2  TYR  24           HD2      TYR  24  47.406  27.662   6.390
  175    HE1  TYR  24           HE1      TYR  24  43.473  26.809   9.329
  176    HE2  TYR  24           HE2      TYR  24  45.417  29.158   6.275
  177    HH   TYR  24           HH       TYR  24  42.865  28.738   6.734
  178    H    LEU  25           HN       LEU  25  49.694  24.185   5.361
  179    HA   LEU  25           HA       LEU  25  51.510  22.748   5.229
  180    HB2  LEU  25           HB2      LEU  25  51.356  22.470   8.248
  181    HB3  LEU  25           HB1      LEU  25  52.796  22.485   7.201
  182    HG   LEU  25           HG       LEU  25  50.939  24.835   7.784
  183   HD11  LEU  25          HD11      LEU  25  52.576  24.175   9.577
  184   HD12  LEU  25          HD12      LEU  25  52.895  25.788   8.893
  185   HD13  LEU  25          HD13      LEU  25  53.894  24.398   8.403
  186   HD21  LEU  25          HD21      LEU  25  53.284  24.498   5.866
  187   HD22  LEU  25          HD22      LEU  25  52.760  26.094   6.455
  188   HD23  LEU  25          HD23      LEU  25  51.645  25.087   5.503
  Start of MODEL   38
    1    H1   GLY   1           HT1      GLY   1  57.941  -2.472 -16.403
    2    H2   GLY   1           HT2      GLY   1  58.250  -3.546 -15.123
    3    H3   GLY   1           HT3      GLY   1  58.323  -4.089 -16.732
    4    HA2  GLY   1           HA1      GLY   1  60.485  -3.693 -15.596
    5    HA3  GLY   1           HA2      GLY   1  60.246  -2.946 -17.189
    6    H    TRP   2           HN       TRP   2  58.215  -1.364 -15.113
    7    HA   TRP   2           HA       TRP   2  59.532   1.110 -15.239
    8    HB2  TRP   2           HB2      TRP   2  57.640   0.056 -13.102
    9    HB3  TRP   2           HB1      TRP   2  58.090   1.766 -13.302
   10    HD1  TRP   2           HD1      TRP   2  56.245  -1.086 -15.100
   11    HE1  TRP   2           HE1      TRP   2  54.640  -0.085 -16.885
   12    HE3  TRP   2           HE3      TRP   2  57.629   3.832 -14.764
   13    HZ2  TRP   2           HZ2      TRP   2  54.061   2.508 -17.994
   14    HZ3  TRP   2           HZ3      TRP   2  56.537   5.552 -16.196
   15    HH2  TRP   2           HH2      TRP   2  54.756   4.896 -17.808
   16    H    GLY   3           HN       GLY   3  59.593  -1.297 -12.580
   17    HA2  GLY   3           HA1      GLY   3  62.319  -0.797 -11.925
   18    HA3  GLY   3           HA2      GLY   3  61.300   0.185 -10.855
   19    H    SER   4           HN       SER   4  59.147  -1.373 -10.349
   20    HA   SER   4           HA       SER   4  59.876  -4.108  -9.709
   21    HB2  SER   4           HB2      SER   4  59.783  -3.784  -7.202
   22    HB3  SER   4           HB1      SER   4  61.243  -3.134  -7.979
   23    HG   SER   4           HG       SER   4  60.540  -1.489  -6.747
   24    H    PHE   5           HN       PHE   5  58.100  -2.423  -7.261
   25    HA   PHE   5           HA       PHE   5  55.500  -2.634  -8.624
   26    HB2  PHE   5           HB2      PHE   5  56.236  -4.532  -6.360
   27    HB3  PHE   5           HB1      PHE   5  54.579  -4.249  -6.943
   28    HD1  PHE   5           HD1      PHE   5  53.914  -4.915  -9.244
   29    HD2  PHE   5           HD2      PHE   5  57.835  -5.808  -7.676
   30    HE1  PHE   5           HE1      PHE   5  54.276  -6.556 -11.084
   31    HE2  PHE   5           HE2      PHE   5  58.195  -7.450  -9.516
   32    HZ   PHE   5           HZ       PHE   5  56.457  -7.746 -11.275
   33    H    PHE   6           HN       PHE   6  57.628  -1.484  -6.265
   34    HA   PHE   6           HA       PHE   6  57.390   0.044  -4.537
   35    HB2  PHE   6           HB2      PHE   6  54.769   0.854  -5.840
   36    HB3  PHE   6           HB1      PHE   6  55.916   1.867  -4.929
   37    HD1  PHE   6           HD1      PHE   6  58.173   2.396  -5.907
   38    HD2  PHE   6           HD2      PHE   6  55.102   0.391  -8.183
   39    HE1  PHE   6           HE1      PHE   6  59.384   2.936  -8.017
   40    HE2  PHE   6           HE2      PHE   6  56.314   0.931 -10.293
   41    HZ   PHE   6           HZ       PHE   6  58.491   2.139 -10.202
   42    H    LYS   7           HN       LYS   7  54.874   1.124  -3.496
   43    HA   LYS   7           HA       LYS   7  53.296  -1.134  -2.522
   44    HB2  LYS   7           HB2      LYS   7  55.459  -1.276  -1.178
   45    HB3  LYS   7           HB1      LYS   7  55.027   0.302  -0.475
   46    HG2  LYS   7           HG2      LYS   7  52.799  -0.714   0.206
   47    HG3  LYS   7           HG1      LYS   7  53.440  -2.295  -0.304
   48    HD2  LYS   7           HD2      LYS   7  55.333  -2.033   1.283
   49    HD3  LYS   7           HD1      LYS   7  54.667  -0.468   1.808
   50    HE2  LYS   7           HE2      LYS   7  52.522  -1.695   2.412
   51    HE3  LYS   7           HE1      LYS   7  53.394  -3.218   2.112
   52    HZ1  LYS   7           HZ1      LYS   7  54.823  -2.837   3.876
   53    HZ2  LYS   7           HZ2      LYS   7  53.345  -2.259   4.483
   54    HZ3  LYS   7           HZ3      LYS   7  54.520  -1.169   3.921
   55    H    LYS   8           HN       LYS   8  51.789   0.380  -3.548
   56    HA   LYS   8           HA       LYS   8  51.357   3.032  -2.619
   57    HB2  LYS   8           HB2      LYS   8  49.433   0.966  -3.751
   58    HB3  LYS   8           HB1      LYS   8  49.005   2.671  -3.471
   59    HG2  LYS   8           HG2      LYS   8  50.860   3.381  -4.955
   60    HG3  LYS   8           HG1      LYS   8  51.278   1.675  -5.245
   61    HD2  LYS   8           HD2      LYS   8  48.946   1.315  -6.127
   62    HD3  LYS   8           HD1      LYS   8  48.664   3.066  -5.973
   63    HE2  LYS   8           HE2      LYS   8  50.691   3.440  -7.446
   64    HE3  LYS   8           HE1      LYS   8  50.745   1.681  -7.718
   65    HZ1  LYS   8           HZ1      LYS   8  49.314   3.431  -9.192
   66    HZ2  LYS   8           HZ2      LYS   8  48.136   2.868  -8.105
   67    HZ3  LYS   8           HZ3      LYS   8  48.990   1.770  -9.081
   68    H    ALA   9           HN       ALA   9  51.053   3.639  -0.577
   69    HA   ALA   9           HA       ALA   9  50.108   1.908   1.490
   70    HB1  ALA   9           HB1      ALA   9  50.248   4.930   1.261
   71    HB2  ALA   9           HB2      ALA   9  51.399   3.838   2.070
   72    HB3  ALA   9           HB3      ALA   9  49.772   4.082   2.752
   73    H    ALA  10           HN       ALA  10  48.322   4.849   1.489
   74    HA   ALA  10           HA       ALA  10  45.937   3.898   0.166
   75    HB1  ALA  10           HB1      ALA  10  44.538   3.491   2.128
   76    HB2  ALA  10           HB2      ALA  10  45.933   3.760   3.201
   77    HB3  ALA  10           HB3      ALA  10  45.909   2.358   2.103
   78    H    HIS  11           HN       HIS  11  47.851   6.155   1.761
   79    HA   HIS  11           HA       HIS  11  45.810   8.085   2.487
   80    HB2  HIS  11           HB2      HIS  11  48.714   8.642   1.789
   81    HB3  HIS  11           HB1      HIS  11  47.637   9.609   2.824
   82    HD1  HIS  11           HD1      HIS  11  50.297   8.537   3.985
   83    HD2  HIS  11           HD2      HIS  11  46.668   6.421   4.181
   84    HE1  HIS  11           HE1      HIS  11  50.461   6.925   5.959
   85    H    ALA  12           HN       ALA  12  44.762   9.553   1.293
   86    HA   ALA  12           HA       ALA  12  45.852  10.654  -1.151
   87    HB1  ALA  12           HB1      ALA  12  44.413   9.642  -2.778
   88    HB2  ALA  12           HB2      ALA  12  43.514   8.759  -1.522
   89    HB3  ALA  12           HB3      ALA  12  45.200   8.322  -1.883
   90    H    GLY  13           HN       GLY  13  43.830  10.607   1.466
   91    HA2  GLY  13           HA1      GLY  13  42.789  13.186   1.050
   92    HA3  GLY  13           HA2      GLY  13  41.550  12.057   0.468
   93    H    LYS  14           HN       LYS  14  43.846  12.094   3.233
   94    HA   LYS  14           HA       LYS  14  41.698  12.390   5.168
   95    HB2  LYS  14           HB2      LYS  14  41.333  10.022   4.477
   96    HB3  LYS  14           HB1      LYS  14  43.005   9.649   4.958
   97    HG2  LYS  14           HG2      LYS  14  42.547  10.262   7.267
   98    HG3  LYS  14           HG1      LYS  14  40.923  10.849   6.832
   99    HD2  LYS  14           HD2      LYS  14  40.302   8.552   6.100
  100    HD3  LYS  14           HD1      LYS  14  41.913   7.973   6.592
  101    HE2  LYS  14           HE2      LYS  14  40.319   7.515   8.391
  102    HE3  LYS  14           HE1      LYS  14  41.444   8.789   8.921
  103    HZ1  LYS  14           HZ1      LYS  14  39.788  10.248   9.074
  104    HZ2  LYS  14           HZ2      LYS  14  38.715   8.940   8.928
  105    HZ3  LYS  14           HZ3      LYS  14  39.152   9.840   7.556
  106    H    HIS  15           HN       HIS  15  44.658  10.380   5.276
  107    HA   HIS  15           HA       HIS  15  45.622  11.882   7.600
  108    HB2  HIS  15           HB2      HIS  15  45.981   9.440   7.354
  109    HB3  HIS  15           HB1      HIS  15  46.988   9.743   5.917
  110    HD1  HIS  15           HD1      HIS  15  49.428   9.928   6.373
  111    HD2  HIS  15           HD2      HIS  15  47.121  11.055   9.705
  112    HE1  HIS  15           HE1      HIS  15  51.049  10.467   8.273
  113    H    ALA  16           HN       ALA  16  45.529  12.660   4.413
  114    HA   ALA  16           HA       ALA  16  47.590  14.683   4.706
  115    HB1  ALA  16           HB1      ALA  16  49.113  12.865   4.253
  116    HB2  ALA  16           HB2      ALA  16  49.000  13.878   2.794
  117    HB3  ALA  16           HB3      ALA  16  48.130  12.327   2.870
  118    H    GLY  17           HN       GLY  17  44.951  14.994   4.236
  119    HA2  GLY  17           HA1      GLY  17  44.357  15.073   1.380
  120    HA3  GLY  17           HA2      GLY  17  43.374  15.745   2.696
  121    H    LYS  18           HN       LYS  18  46.781  16.531   2.277
  122    HA   LYS  18           HA       LYS  18  47.786  18.600   1.946
  123    HB2  LYS  18           HB2      LYS  18  45.573  18.741  -0.138
  124    HB3  LYS  18           HB1      LYS  18  46.937  19.881  -0.044
  125    HG2  LYS  18           HG2      LYS  18  48.511  17.921  -0.213
  126    HG3  LYS  18           HG1      LYS  18  47.101  16.867  -0.476
  127    HD2  LYS  18           HD2      LYS  18  46.477  18.175  -2.476
  128    HD3  LYS  18           HD1      LYS  18  47.862  19.261  -2.206
  129    HE2  LYS  18           HE2      LYS  18  48.137  16.252  -2.592
  130    HE3  LYS  18           HE1      LYS  18  48.271  17.430  -3.921
  131    HZ1  LYS  18           HZ1      LYS  18  50.163  16.767  -1.863
  132    HZ2  LYS  18           HZ2      LYS  18  49.889  18.441  -1.971
  133    HZ3  LYS  18           HZ3      LYS  18  50.403  17.571  -3.338
  134    H    ALA  19           HN       ALA  19  45.149  18.305   3.648
  135    HA   ALA  19           HA       ALA  19  45.157  21.089   4.516
  136    HB1  ALA  19           HB1      ALA  19  42.610  20.001   3.267
  137    HB2  ALA  19           HB2      ALA  19  43.672  21.220   2.522
  138    HB3  ALA  19           HB3      ALA  19  42.822  21.590   4.042
  139    H    ALA  20           HN       ALA  20  44.262  17.765   4.716
  140    HA   ALA  20           HA       ALA  20  42.588  17.989   7.084
  141    HB1  ALA  20           HB1      ALA  20  42.373  16.047   5.677
  142    HB2  ALA  20           HB2      ALA  20  43.029  15.515   7.244
  143    HB3  ALA  20           HB3      ALA  20  44.106  15.675   5.836
  144    H    LEU  21           HN       LEU  21  45.886  16.621   6.630
  145    HA   LEU  21           HA       LEU  21  46.419  16.804   9.503
  146    HB2  LEU  21           HB2      LEU  21  47.341  15.041   7.899
  147    HB3  LEU  21           HB1      LEU  21  48.402  16.311   7.254
  148    HG   LEU  21           HG       LEU  21  49.063  16.678   9.806
  149   HD11  LEU  21          HD11      LEU  21  47.982  13.820   9.798
  150   HD12  LEU  21          HD12      LEU  21  47.423  15.167  10.816
  151   HD13  LEU  21          HD13      LEU  21  49.048  14.489  11.053
  152   HD21  LEU  21          HD21      LEU  21  50.847  14.941   9.568
  153   HD22  LEU  21          HD22      LEU  21  50.635  15.905   8.087
  154   HD23  LEU  21          HD23      LEU  21  49.967  14.258   8.181
  155    H    THR  22           HN       THR  22  47.378  18.560   6.552
  156    HA   THR  22           HA       THR  22  49.186  20.346   7.995
  157    HB   THR  22           HB       THR  22  49.224  21.624   5.852
  158    HG1  THR  22           HG1      THR  22  46.947  20.177   5.494
  159   HG21  THR  22          HG21      THR  22  49.510  18.598   5.722
  160   HG22  THR  22          HG22      THR  22  50.784  19.802   6.033
  161   HG23  THR  22          HG23      THR  22  50.048  19.681   4.417
  162    H    HIS  23           HN       HIS  23  46.058  20.038   8.479
  163    HA   HIS  23           HA       HIS  23  44.788  22.478   7.910
  164    HB2  HIS  23           HB2      HIS  23  43.750  20.448   8.989
  165    HB3  HIS  23           HB1      HIS  23  44.527  20.930  10.517
  166    HD1  HIS  23           HD1      HIS  23  43.559  22.932  11.802
  167    HD2  HIS  23           HD2      HIS  23  41.722  22.310   8.070
  168    HE1  HIS  23           HE1      HIS  23  41.470  24.402  11.725
  169    H    TYR  24           HN       TYR  24  45.957  24.332   8.065
  170    HA   TYR  24           HA       TYR  24  46.947  26.154   9.087
  171    HB2  TYR  24           HB2      TYR  24  44.863  25.966  10.514
  172    HB3  TYR  24           HB1      TYR  24  45.832  25.052  11.695
  173    HD1  TYR  24           HD1      TYR  24  47.645  26.130  12.958
  174    HD2  TYR  24           HD2      TYR  24  45.261  28.356  10.132
  175    HE1  TYR  24           HE1      TYR  24  48.516  28.265  13.904
  176    HE2  TYR  24           HE2      TYR  24  46.131  30.490  11.078
  177    HH   TYR  24           HH       TYR  24  47.165  31.011  13.726
  178    H    LEU  25           HN       LEU  25  48.972  26.642   9.694
  179    HA   LEU  25           HA       LEU  25  50.823  24.539  10.274
  180    HB2  LEU  25           HB2      LEU  25  50.948  27.568  10.432
  181    HB3  LEU  25           HB1      LEU  25  52.330  26.571  10.945
  182    HG   LEU  25           HG       LEU  25  52.382  25.489   8.718
  183   HD11  LEU  25          HD11      LEU  25  50.112  25.547   7.984
  184   HD12  LEU  25          HD12      LEU  25  50.966  26.661   6.892
  185   HD13  LEU  25          HD13      LEU  25  49.988  27.305   8.234
  186   HD21  LEU  25          HD21      LEU  25  53.708  27.546   9.131
  187   HD22  LEU  25          HD22      LEU  25  52.331  28.540   8.596
  188   HD23  LEU  25          HD23      LEU  25  53.158  27.467   7.440
  Start of MODEL   39
    1    H1   GLY   1           HT1      GLY   1  57.967  -1.448  -6.844
    2    H2   GLY   1           HT2      GLY   1  59.530  -0.783  -6.906
    3    H3   GLY   1           HT3      GLY   1  59.011  -1.619  -5.521
    4    HA2  GLY   1           HA1      GLY   1  60.547  -2.744  -7.221
    5    HA3  GLY   1           HA2      GLY   1  59.229  -3.636  -6.438
    6    H    TRP   2           HN       TRP   2  57.170  -3.813  -7.581
    7    HA   TRP   2           HA       TRP   2  57.491  -4.772 -10.215
    8    HB2  TRP   2           HB2      TRP   2  54.940  -3.599  -9.046
    9    HB3  TRP   2           HB1      TRP   2  55.073  -4.814 -10.339
   10    HD1  TRP   2           HD1      TRP   2  56.674  -7.056  -9.451
   11    HE1  TRP   2           HE1      TRP   2  56.337  -8.422  -7.264
   12    HE3  TRP   2           HE3      TRP   2  54.028  -3.608  -6.744
   13    HZ2  TRP   2           HZ2      TRP   2  55.081  -8.038  -4.701
   14    HZ3  TRP   2           HZ3      TRP   2  53.271  -4.130  -4.431
   15    HH2  TRP   2           HH2      TRP   2  53.793  -6.340  -3.408
   16    H    GLY   3           HN       GLY   3  56.264  -1.593  -9.099
   17    HA2  GLY   3           HA1      GLY   3  57.394  -0.224 -11.364
   18    HA3  GLY   3           HA2      GLY   3  55.659  -0.497 -11.619
   19    H    SER   4           HN       SER   4  54.669  -0.242  -9.045
   20    HA   SER   4           HA       SER   4  54.505   2.619  -8.818
   21    HB2  SER   4           HB2      SER   4  53.286   2.112  -6.687
   22    HB3  SER   4           HB1      SER   4  52.676   1.198  -8.083
   23    HG   SER   4           HG       SER   4  54.712  -0.117  -6.891
   24    H    PHE   5           HN       PHE   5  56.261   3.798  -8.330
   25    HA   PHE   5           HA       PHE   5  58.430   2.914  -6.703
   26    HB2  PHE   5           HB2      PHE   5  57.427   5.717  -7.341
   27    HB3  PHE   5           HB1      PHE   5  58.982   5.362  -6.548
   28    HD1  PHE   5           HD1      PHE   5  60.828   4.343  -7.779
   29    HD2  PHE   5           HD2      PHE   5  57.025   5.059  -9.688
   30    HE1  PHE   5           HE1      PHE   5  61.867   3.923 -10.005
   31    HE2  PHE   5           HE2      PHE   5  58.064   4.640 -11.915
   32    HZ   PHE   5           HZ       PHE   5  60.486   4.080 -12.073
   33    H    PHE   6           HN       PHE   6  57.086   5.888  -5.538
   34    HA   PHE   6           HA       PHE   6  57.092   4.881  -2.808
   35    HB2  PHE   6           HB2      PHE   6  56.212   7.163  -2.267
   36    HB3  PHE   6           HB1      PHE   6  57.690   7.198  -3.256
   37    HD1  PHE   6           HD1      PHE   6  54.042   7.791  -3.212
   38    HD2  PHE   6           HD2      PHE   6  57.611   7.816  -5.638
   39    HE1  PHE   6           HE1      PHE   6  52.840   9.093  -4.964
   40    HE2  PHE   6           HE2      PHE   6  56.410   9.116  -7.392
   41    HZ   PHE   6           HZ       PHE   6  54.040   9.801  -7.031
   42    H    LYS   7           HN       LYS   7  54.901   6.072  -1.619
   43    HA   LYS   7           HA       LYS   7  52.932   4.090  -1.758
   44    HB2  LYS   7           HB2      LYS   7  52.640   7.036  -1.057
   45    HB3  LYS   7           HB1      LYS   7  51.400   5.799  -0.737
   46    HG2  LYS   7           HG2      LYS   7  52.898   4.569   0.717
   47    HG3  LYS   7           HG1      LYS   7  54.271   5.609   0.266
   48    HD2  LYS   7           HD2      LYS   7  53.094   7.569   1.250
   49    HD3  LYS   7           HD1      LYS   7  51.754   6.503   1.738
   50    HE2  LYS   7           HE2      LYS   7  54.656   6.203   2.630
   51    HE3  LYS   7           HE1      LYS   7  53.343   6.894   3.614
   52    HZ1  LYS   7           HZ1      LYS   7  54.025   4.195   3.273
   53    HZ2  LYS   7           HZ2      LYS   7  52.487   4.426   2.587
   54    HZ3  LYS   7           HZ3      LYS   7  52.771   4.852   4.207
   55    H    LYS   8           HN       LYS   8  50.527   4.595  -2.335
   56    HA   LYS   8           HA       LYS   8  50.092   6.230  -4.702
   57    HB2  LYS   8           HB2      LYS   8  51.339   4.360  -5.739
   58    HB3  LYS   8           HB1      LYS   8  50.162   3.208  -5.064
   59    HG2  LYS   8           HG2      LYS   8  48.371   4.115  -6.386
   60    HG3  LYS   8           HG1      LYS   8  49.346   5.525  -6.863
   61    HD2  LYS   8           HD2      LYS   8  50.906   4.031  -8.084
   62    HD3  LYS   8           HD1      LYS   8  49.921   2.625  -7.615
   63    HE2  LYS   8           HE2      LYS   8  48.906   5.007  -9.230
   64    HE3  LYS   8           HE1      LYS   8  49.384   3.436  -9.919
   65    HZ1  LYS   8           HZ1      LYS   8  46.927   4.165  -8.763
   66    HZ2  LYS   8           HZ2      LYS   8  47.625   2.952  -7.799
   67    HZ3  LYS   8           HZ3      LYS   8  47.367   2.683  -9.456
   68    H    ALA   9           HN       ALA   9  49.146   4.095  -2.183
   69    HA   ALA   9           HA       ALA   9  46.357   5.026  -2.416
   70    HB1  ALA   9           HB1      ALA   9  46.399   3.042  -3.907
   71    HB2  ALA   9           HB2      ALA   9  45.378   2.790  -2.471
   72    HB3  ALA   9           HB3      ALA   9  46.998   2.058  -2.552
   73    H    ALA  10           HN       ALA  10  49.056   3.697  -0.757
   74    HA   ALA  10           HA       ALA  10  47.800   2.741   1.621
   75    HB1  ALA  10           HB1      ALA  10  50.475   4.161   1.407
   76    HB2  ALA  10           HB2      ALA  10  50.211   2.452   0.985
   77    HB3  ALA  10           HB3      ALA  10  49.965   3.005   2.659
   78    H    HIS  11           HN       HIS  11  48.891   5.991   0.638
   79    HA   HIS  11           HA       HIS  11  46.967   7.211   2.504
   80    HB2  HIS  11           HB2      HIS  11  49.954   7.694   2.863
   81    HB3  HIS  11           HB1      HIS  11  48.643   8.539   3.720
   82    HD1  HIS  11           HD1      HIS  11  50.508   5.267   3.552
   83    HD2  HIS  11           HD2      HIS  11  47.354   6.989   5.737
   84    HE1  HIS  11           HE1      HIS  11  49.996   3.706   5.509
   85    H    ALA  12           HN       ALA  12  47.233   7.139  -0.325
   86    HA   ALA  12           HA       ALA  12  48.569   9.532  -1.273
   87    HB1  ALA  12           HB1      ALA  12  47.496   9.061  -3.372
   88    HB2  ALA  12           HB2      ALA  12  46.281   8.027  -2.580
   89    HB3  ALA  12           HB3      ALA  12  47.982   7.507  -2.655
   90    H    GLY  13           HN       GLY  13  45.445   8.824   0.130
   91    HA2  GLY  13           HA1      GLY  13  44.860  11.670   0.353
   92    HA3  GLY  13           HA2      GLY  13  43.809  10.848  -0.818
   93    H    LYS  14           HN       LYS  14  45.105  10.427   2.501
   94    HA   LYS  14           HA       LYS  14  42.458  10.233   3.644
   95    HB2  LYS  14           HB2      LYS  14  42.650   8.003   2.441
   96    HB3  LYS  14           HB1      LYS  14  43.998   7.613   3.536
   97    HG2  LYS  14           HG2      LYS  14  42.472   8.035   5.487
   98    HG3  LYS  14           HG1      LYS  14  41.130   8.270   4.340
   99    HD2  LYS  14           HD2      LYS  14  41.416   5.991   3.482
  100    HD3  LYS  14           HD1      LYS  14  42.833   5.747   4.531
  101    HE2  LYS  14           HE2      LYS  14  41.435   6.023   6.535
  102    HE3  LYS  14           HE1      LYS  14  40.012   6.354   5.517
  103    HZ1  LYS  14           HZ1      LYS  14  39.670   4.172   5.525
  104    HZ2  LYS  14           HZ2      LYS  14  41.175   3.850   6.245
  105    HZ3  LYS  14           HZ3      LYS  14  41.053   3.999   4.556
  106    H    HIS  15           HN       HIS  15  42.623  10.828   5.714
  107    HA   HIS  15           HA       HIS  15  43.650  11.452   7.702
  108    HB2  HIS  15           HB2      HIS  15  45.080   8.816   7.178
  109    HB3  HIS  15           HB1      HIS  15  45.159   9.712   8.715
  110    HD1  HIS  15           HD1      HIS  15  42.174  10.674   8.825
  111    HD2  HIS  15           HD2      HIS  15  43.360   6.746   7.905
  112    HE1  HIS  15           HE1      HIS  15  40.217   9.133   9.396
  113    H    ALA  16           HN       ALA  16  46.564   9.748   6.680
  114    HA   ALA  16           HA       ALA  16  48.084  12.292   6.866
  115    HB1  ALA  16           HB1      ALA  16  48.960   9.415   6.433
  116    HB2  ALA  16           HB2      ALA  16  48.961  10.301   7.977
  117    HB3  ALA  16           HB3      ALA  16  50.050  10.803   6.662
  118    H    GLY  17           HN       GLY  17  46.388  12.478   4.744
  119    HA2  GLY  17           HA1      GLY  17  47.542  11.486   2.287
  120    HA3  GLY  17           HA2      GLY  17  46.299  12.741   2.443
  121    H    LYS  18           HN       LYS  18  49.139  13.302   4.293
  122    HA   LYS  18           HA       LYS  18  50.778  14.932   4.088
  123    HB2  LYS  18           HB2      LYS  18  50.691  14.389   1.100
  124    HB3  LYS  18           HB1      LYS  18  52.070  14.945   2.078
  125    HG2  LYS  18           HG2      LYS  18  50.706  12.223   2.295
  126    HG3  LYS  18           HG1      LYS  18  52.288  12.544   1.547
  127    HD2  LYS  18           HD2      LYS  18  52.938  13.576   3.861
  128    HD3  LYS  18           HD1      LYS  18  51.504  12.721   4.479
  129    HE2  LYS  18           HE2      LYS  18  53.908  11.481   3.075
  130    HE3  LYS  18           HE1      LYS  18  53.447  11.286   4.783
  131    HZ1  LYS  18           HZ1      LYS  18  51.830   9.830   4.264
  132    HZ2  LYS  18           HZ2      LYS  18  52.743   9.586   2.853
  133    HZ3  LYS  18           HZ3      LYS  18  51.397  10.621   2.828
  134    H    ALA  19           HN       ALA  19  47.784  15.490   3.460
  135    HA   ALA  19           HA       ALA  19  48.196  18.339   2.932
  136    HB1  ALA  19           HB1      ALA  19  48.256  17.447   0.629
  137    HB2  ALA  19           HB2      ALA  19  46.813  18.450   0.911
  138    HB3  ALA  19           HB3      ALA  19  46.675  16.675   0.893
  139    H    ALA  20           HN       ALA  20  46.203  15.539   3.577
  140    HA   ALA  20           HA       ALA  20  43.757  17.044   4.075
  141    HB1  ALA  20           HB1      ALA  20  43.035  14.894   5.168
  142    HB2  ALA  20           HB2      ALA  20  44.660  14.247   4.836
  143    HB3  ALA  20           HB3      ALA  20  43.593  14.714   3.489
  144    H    LEU  21           HN       LEU  21  46.064  15.327   6.241
  145    HA   LEU  21           HA       LEU  21  44.940  16.344   8.654
  146    HB2  LEU  21           HB2      LEU  21  46.432  14.433   8.681
  147    HB3  LEU  21           HB1      LEU  21  47.751  15.391   7.977
  148    HG   LEU  21           HG       LEU  21  47.933  16.744   9.996
  149   HD11  LEU  21          HD11      LEU  21  45.385  15.277  10.787
  150   HD12  LEU  21          HD12      LEU  21  45.702  17.030  10.768
  151   HD13  LEU  21          HD13      LEU  21  46.449  16.009  12.014
  152   HD21  LEU  21          HD21      LEU  21  47.607  13.823  10.809
  153   HD22  LEU  21          HD22      LEU  21  48.671  15.036  11.560
  154   HD23  LEU  21          HD23      LEU  21  49.006  14.456   9.910
  155    H    THR  22           HN       THR  22  47.710  17.485   6.680
  156    HA   THR  22           HA       THR  22  48.323  19.730   8.361
  157    HB   THR  22           HB       THR  22  49.558  20.606   6.395
  158    HG1  THR  22           HG1      THR  22  49.437  18.999   4.548
  159   HG21  THR  22          HG21      THR  22  50.480  18.746   7.828
  160   HG22  THR  22          HG22      THR  22  51.109  18.751   6.163
  161   HG23  THR  22          HG23      THR  22  49.851  17.584   6.636
  162    H    HIS  23           HN       HIS  23  46.482  19.506   5.283
  163    HA   HIS  23           HA       HIS  23  44.902  20.941   4.375
  164    HB2  HIS  23           HB2      HIS  23  43.721  20.267   6.490
  165    HB3  HIS  23           HB1      HIS  23  44.372  21.732   7.265
  166    HD1  HIS  23           HD1      HIS  23  43.804  22.547   3.801
  167    HD2  HIS  23           HD2      HIS  23  41.301  22.140   7.155
  168    HE1  HIS  23           HE1      HIS  23  41.647  23.821   3.300
  169    H    TYR  24           HN       TYR  24  47.626  21.904   4.676
  170    HA   TYR  24           HA       TYR  24  48.817  23.890   4.512
  171    HB2  TYR  24           HB2      TYR  24  47.184  24.155   2.625
  172    HB3  TYR  24           HB1      TYR  24  46.124  25.067   3.726
  173    HD1  TYR  24           HD1      TYR  24  49.716  24.970   2.572
  174    HD2  TYR  24           HD2      TYR  24  46.391  27.417   3.839
  175    HE1  TYR  24           HE1      TYR  24  51.054  27.022   2.123
  176    HE2  TYR  24           HE2      TYR  24  47.730  29.468   3.387
  177    HH   TYR  24           HH       TYR  24  50.934  29.611   2.882
  178    H    LEU  25           HN       LEU  25  48.360  23.376   7.081
  179    HA   LEU  25           HA       LEU  25  48.103  24.339   9.179
  180    HB2  LEU  25           HB2      LEU  25  48.511  27.025   7.823
  181    HB3  LEU  25           HB1      LEU  25  49.036  26.504   9.442
  182    HG   LEU  25           HG       LEU  25  50.102  25.482   6.772
  183   HD11  LEU  25          HD11      LEU  25  51.403  27.090   9.017
  184   HD12  LEU  25          HD12      LEU  25  50.887  27.744   7.444
  185   HD13  LEU  25          HD13      LEU  25  52.202  26.546   7.523
  186   HD21  LEU  25          HD21      LEU  25  50.616  24.640   9.656
  187   HD22  LEU  25          HD22      LEU  25  51.786  24.320   8.352
  188   HD23  LEU  25          HD23      LEU  25  50.155  23.616   8.275
  Start of MODEL   40
    1    H1   GLY   1           HT1      GLY   1  59.525  10.980  -5.820
    2    H2   GLY   1           HT2      GLY   1  60.855  11.190  -6.856
    3    H3   GLY   1           HT3      GLY   1  60.672   9.743  -5.983
    4    HA2  GLY   1           HA1      GLY   1  60.012   9.963  -8.484
    5    HA3  GLY   1           HA2      GLY   1  59.157   8.904  -7.345
    6    H    TRP   2           HN       TRP   2  57.207   9.695  -6.320
    7    HA   TRP   2           HA       TRP   2  55.977  12.160  -7.200
    8    HB2  TRP   2           HB2      TRP   2  55.876  10.748  -9.317
    9    HB3  TRP   2           HB1      TRP   2  54.805   9.636  -8.430
   10    HD1  TRP   2           HD1      TRP   2  52.337  10.338  -8.097
   11    HE1  TRP   2           HE1      TRP   2  50.876  12.353  -8.853
   12    HE3  TRP   2           HE3      TRP   2  56.045  13.422  -9.811
   13    HZ2  TRP   2           HZ2      TRP   2  51.296  14.944 -10.039
   14    HZ3  TRP   2           HZ3      TRP   2  55.493  15.661 -10.750
   15    HH2  TRP   2           HH2      TRP   2  53.125  16.425 -10.866
   16    H    GLY   3           HN       GLY   3  55.860   8.967  -5.765
   17    HA2  GLY   3           HA1      GLY   3  54.411   9.838  -3.489
   18    HA3  GLY   3           HA2      GLY   3  53.247   9.116  -4.616
   19    H    SER   4           HN       SER   4  56.548   7.991  -4.610
   20    HA   SER   4           HA       SER   4  57.417   5.904  -4.098
   21    HB2  SER   4           HB2      SER   4  55.493   5.883  -1.750
   22    HB3  SER   4           HB1      SER   4  57.091   5.114  -1.871
   23    HG   SER   4           HG       SER   4  56.404   7.690  -1.238
   24    H    PHE   5           HN       PHE   5  55.813   3.859  -2.525
   25    HA   PHE   5           HA       PHE   5  54.892   2.325  -4.728
   26    HB2  PHE   5           HB2      PHE   5  53.868   2.096  -1.876
   27    HB3  PHE   5           HB1      PHE   5  53.990   0.810  -3.100
   28    HD1  PHE   5           HD1      PHE   5  55.733   2.619  -0.470
   29    HD2  PHE   5           HD2      PHE   5  56.304   0.154  -3.967
   30    HE1  PHE   5           HE1      PHE   5  58.061   2.118   0.263
   31    HE2  PHE   5           HE2      PHE   5  58.632  -0.347  -3.233
   32    HZ   PHE   5           HZ       PHE   5  59.493   0.596  -1.093
   33    H    PHE   6           HN       PHE   6  52.467   1.351  -4.454
   34    HA   PHE   6           HA       PHE   6  50.438   3.402  -3.987
   35    HB2  PHE   6           HB2      PHE   6  49.652   3.567  -6.312
   36    HB3  PHE   6           HB1      PHE   6  51.323   4.165  -6.172
   37    HD1  PHE   6           HD1      PHE   6  53.215   2.866  -7.061
   38    HD2  PHE   6           HD2      PHE   6  49.155   1.453  -7.445
   39    HE1  PHE   6           HE1      PHE   6  53.957   1.195  -8.754
   40    HE2  PHE   6           HE2      PHE   6  49.897  -0.218  -9.140
   41    HZ   PHE   6           HZ       PHE   6  52.311  -0.402  -9.730
   42    H    LYS   7           HN       LYS   7  51.541   0.238  -4.811
   43    HA   LYS   7           HA       LYS   7  49.072  -1.027  -5.467
   44    HB2  LYS   7           HB2      LYS   7  51.501  -2.122  -3.991
   45    HB3  LYS   7           HB1      LYS   7  50.193  -3.108  -4.687
   46    HG2  LYS   7           HG2      LYS   7  50.675  -2.153  -6.931
   47    HG3  LYS   7           HG1      LYS   7  52.006  -1.202  -6.230
   48    HD2  LYS   7           HD2      LYS   7  53.092  -3.322  -5.480
   49    HD3  LYS   7           HD1      LYS   7  51.789  -4.244  -6.267
   50    HE2  LYS   7           HE2      LYS   7  52.387  -3.065  -8.435
   51    HE3  LYS   7           HE1      LYS   7  53.811  -2.396  -7.602
   52    HZ1  LYS   7           HZ1      LYS   7  54.561  -4.634  -7.137
   53    HZ2  LYS   7           HZ2      LYS   7  54.320  -4.445  -8.809
   54    HZ3  LYS   7           HZ3      LYS   7  53.183  -5.295  -7.875
   55    H    LYS   8           HN       LYS   8  50.773  -0.975  -2.292
   56    HA   LYS   8           HA       LYS   8  48.721  -2.155  -0.776
   57    HB2  LYS   8           HB2      LYS   8  50.703   0.021  -0.001
   58    HB3  LYS   8           HB1      LYS   8  49.705  -0.885   1.162
   59    HG2  LYS   8           HG2      LYS   8  50.700  -3.022   0.145
   60    HG3  LYS   8           HG1      LYS   8  51.858  -1.968  -0.699
   61    HD2  LYS   8           HD2      LYS   8  51.441  -2.082   2.323
   62    HD3  LYS   8           HD1      LYS   8  52.792  -2.828   1.438
   63    HE2  LYS   8           HE2      LYS   8  53.718  -0.779   2.154
   64    HE3  LYS   8           HE1      LYS   8  53.188  -0.393   0.500
   65    HZ1  LYS   8           HZ1      LYS   8  52.358   0.766   2.926
   66    HZ2  LYS   8           HZ2      LYS   8  51.016   0.001   2.218
   67    HZ3  LYS   8           HZ3      LYS   8  51.888   1.170   1.348
   68    H    ALA   9           HN       ALA   9  49.308   1.179   0.116
   69    HA   ALA   9           HA       ALA   9  46.860   2.266  -0.964
   70    HB1  ALA   9           HB1      ALA   9  46.817   1.447   1.963
   71    HB2  ALA   9           HB2      ALA   9  45.828   0.742   0.661
   72    HB3  ALA   9           HB3      ALA   9  45.588   2.438   1.142
   73    H    ALA  10           HN       ALA  10  48.575   3.789  -1.470
   74    HA   ALA  10           HA       ALA  10  50.160   5.144   0.425
   75    HB1  ALA  10           HB1      ALA  10  50.482   5.442  -1.957
   76    HB2  ALA  10           HB2      ALA  10  50.144   7.028  -1.220
   77    HB3  ALA  10           HB3      ALA  10  48.868   6.174  -2.122
   78    H    HIS  11           HN       HIS  11  46.850   5.911  -0.715
   79    HA   HIS  11           HA       HIS  11  46.599   8.224   1.021
   80    HB2  HIS  11           HB2      HIS  11  44.136   7.974   0.450
   81    HB3  HIS  11           HB1      HIS  11  45.225   8.119  -0.950
   82    HD1  HIS  11           HD1      HIS  11  42.843   5.794   0.760
   83    HD2  HIS  11           HD2      HIS  11  45.727   5.570  -2.292
   84    HE1  HIS  11           HE1      HIS  11  42.438   3.617  -0.513
   85    H    ALA  12           HN       ALA  12  47.150   7.601   3.117
   86    HA   ALA  12           HA       ALA  12  45.928   5.319   4.416
   87    HB1  ALA  12           HB1      ALA  12  47.254   7.795   5.575
   88    HB2  ALA  12           HB2      ALA  12  48.061   6.261   5.168
   89    HB3  ALA  12           HB3      ALA  12  46.858   6.316   6.479
   90    H    GLY  13           HN       GLY  13  45.497   8.848   4.981
   91    HA2  GLY  13           HA1      GLY  13  43.175   8.537   6.603
   92    HA3  GLY  13           HA2      GLY  13  43.660  10.018   5.755
   93    H    LYS  14           HN       LYS  14  42.709  10.591   3.841
   94    HA   LYS  14           HA       LYS  14  41.039   8.745   2.340
   95    HB2  LYS  14           HB2      LYS  14  39.601   9.187   4.363
   96    HB3  LYS  14           HB1      LYS  14  39.586  10.909   3.908
   97    HG2  LYS  14           HG2      LYS  14  38.591  10.344   1.724
   98    HG3  LYS  14           HG1      LYS  14  38.643   8.612   2.135
   99    HD2  LYS  14           HD2      LYS  14  37.169   9.066   4.104
  100    HD3  LYS  14           HD1      LYS  14  37.060  10.770   3.599
  101    HE2  LYS  14           HE2      LYS  14  35.981  10.164   1.521
  102    HE3  LYS  14           HE1      LYS  14  36.285   8.434   1.805
  103    HZ1  LYS  14           HZ1      LYS  14  34.703   8.342   3.459
  104    HZ2  LYS  14           HZ2      LYS  14  33.985   9.437   2.377
  105    HZ3  LYS  14           HZ3      LYS  14  34.756  10.006   3.780
  106    H    HIS  15           HN       HIS  15  42.600   9.683   0.829
  107    HA   HIS  15           HA       HIS  15  43.187  11.197  -0.829
  108    HB2  HIS  15           HB2      HIS  15  40.292  12.104  -0.585
  109    HB3  HIS  15           HB1      HIS  15  41.357  12.280  -2.000
  110    HD1  HIS  15           HD1      HIS  15  42.392   9.826  -2.880
  111    HD2  HIS  15           HD2      HIS  15  38.828   9.761  -0.648
  112    HE1  HIS  15           HE1      HIS  15  41.236   7.598  -3.354
  113    H    ALA  16           HN       ALA  16  44.655  12.466   0.293
  114    HA   ALA  16           HA       ALA  16  45.468  14.408   1.267
  115    HB1  ALA  16           HB1      ALA  16  42.972  15.714   0.139
  116    HB2  ALA  16           HB2      ALA  16  44.412  15.325  -0.833
  117    HB3  ALA  16           HB3      ALA  16  44.530  16.489   0.510
  118    H    GLY  17           HN       GLY  17  44.453  12.902   3.153
  119    HA2  GLY  17           HA1      GLY  17  42.261  14.166   4.604
  120    HA3  GLY  17           HA2      GLY  17  43.300  12.845   5.173
  121    H    LYS  18           HN       LYS  18  44.470  15.965   3.977
  122    HA   LYS  18           HA       LYS  18  45.802  17.541   5.033
  123    HB2  LYS  18           HB2      LYS  18  43.430  17.820   6.105
  124    HB3  LYS  18           HB1      LYS  18  44.158  17.082   7.549
  125    HG2  LYS  18           HG2      LYS  18  45.902  18.844   7.577
  126    HG3  LYS  18           HG1      LYS  18  45.199  19.569   6.113
  127    HD2  LYS  18           HD2      LYS  18  43.138  20.091   7.273
  128    HD3  LYS  18           HD1      LYS  18  43.650  19.165   8.705
  129    HE2  LYS  18           HE2      LYS  18  45.498  20.734   9.099
  130    HE3  LYS  18           HE1      LYS  18  45.076  21.634   7.622
  131    HZ1  LYS  18           HZ1      LYS  18  42.769  21.806   8.745
  132    HZ2  LYS  18           HZ2      LYS  18  44.020  22.830   9.268
  133    HZ3  LYS  18           HZ3      LYS  18  43.608  21.455  10.177
  134    H    ALA  19           HN       ALA  19  46.663  14.771   5.139
  135    HA   ALA  19           HA       ALA  19  48.795  15.065   7.063
  136    HB1  ALA  19           HB1      ALA  19  46.637  13.030   7.723
  137    HB2  ALA  19           HB2      ALA  19  47.030  14.484   8.668
  138    HB3  ALA  19           HB3      ALA  19  48.216  13.164   8.529
  139    H    ALA  20           HN       ALA  20  46.846  13.078   4.901
  140    HA   ALA  20           HA       ALA  20  48.873  11.003   4.592
  141    HB1  ALA  20           HB1      ALA  20  47.440  10.335   2.640
  142    HB2  ALA  20           HB2      ALA  20  46.420  11.755   2.972
  143    HB3  ALA  20           HB3      ALA  20  46.563  10.457   4.182
  144    H    LEU  21           HN       LEU  21  47.490  12.809   1.866
  145    HA   LEU  21           HA       LEU  21  50.082  12.806   0.518
  146    HB2  LEU  21           HB2      LEU  21  47.647  14.405  -0.333
  147    HB3  LEU  21           HB1      LEU  21  48.914  13.678  -1.349
  148    HG   LEU  21           HG       LEU  21  46.805  12.188   0.276
  149   HD11  LEU  21          HD11      LEU  21  46.018  11.457  -1.945
  150   HD12  LEU  21          HD12      LEU  21  47.307  12.402  -2.726
  151   HD13  LEU  21          HD13      LEU  21  46.009  13.234  -1.837
  152   HD21  LEU  21          HD21      LEU  21  49.218  11.235  -1.324
  153   HD22  LEU  21          HD22      LEU  21  47.827  10.178  -0.984
  154   HD23  LEU  21          HD23      LEU  21  48.789  10.840   0.357
  155    H    THR  22           HN       THR  22  48.890  14.692   2.979
  156    HA   THR  22           HA       THR  22  49.510  17.345   2.136
  157    HB   THR  22           HB       THR  22  49.903  16.245   4.950
  158    HG1  THR  22           HG1      THR  22  47.533  17.472   4.199
  159   HG21  THR  22          HG21      THR  22  50.735  18.521   4.612
  160   HG22  THR  22          HG22      THR  22  49.226  18.577   5.556
  161   HG23  THR  22          HG23      THR  22  49.208  18.990   3.825
  162    H    HIS  23           HN       HIS  23  51.497  15.489   4.475
  163    HA   HIS  23           HA       HIS  23  53.792  15.552   4.837
  164    HB2  HIS  23           HB2      HIS  23  53.847  15.661   1.794
  165    HB3  HIS  23           HB1      HIS  23  55.194  15.175   2.851
  166    HD1  HIS  23           HD1      HIS  23  53.851  13.357   4.874
  167    HD2  HIS  23           HD2      HIS  23  53.002  13.231   0.758
  168    HE1  HIS  23           HE1      HIS  23  52.852  11.059   4.372
  169    H    TYR  24           HN       TYR  24  55.935  16.744   4.109
  170    HA   TYR  24           HA       TYR  24  55.502  19.528   4.697
  171    HB2  TYR  24           HB2      TYR  24  57.973  18.174   3.538
  172    HB3  TYR  24           HB1      TYR  24  57.915  19.764   4.336
  173    HD1  TYR  24           HD1      TYR  24  56.979  19.846   6.763
  174    HD2  TYR  24           HD2      TYR  24  58.305  16.214   4.842
  175    HE1  TYR  24           HE1      TYR  24  57.233  18.759   8.991
  176    HE2  TYR  24           HE2      TYR  24  58.559  15.129   7.070
  177    HH   TYR  24           HH       TYR  24  58.225  16.991  10.059
  178    H    LEU  25           HN       LEU  25  55.186  21.256   3.436
  179    HA   LEU  25           HA       LEU  25  54.711  20.841   0.586
  180    HB2  LEU  25           HB2      LEU  25  54.941  23.531   1.974
  181    HB3  LEU  25           HB1      LEU  25  53.947  23.086   0.567
  182    HG   LEU  25           HG       LEU  25  53.565  22.133   3.440
  183   HD11  LEU  25          HD11      LEU  25  51.506  23.424   3.353
  184   HD12  LEU  25          HD12      LEU  25  51.762  23.799   1.632
  185   HD13  LEU  25          HD13      LEU  25  52.847  24.486   2.865
  186   HD21  LEU  25          HD21      LEU  25  52.940  20.290   2.041
  187   HD22  LEU  25          HD22      LEU  25  52.211  21.361   0.820
  188   HD23  LEU  25          HD23      LEU  25  51.418  21.137   2.399
  Start of MODEL   41
    1    H1   GLY   1           HT1      GLY   1  52.560   6.364  -2.007
    2    H2   GLY   1           HT2      GLY   1  53.994   7.067  -1.422
    3    H3   GLY   1           HT3      GLY   1  53.672   5.422  -1.141
    4    HA2  GLY   1           HA1      GLY   1  54.700   4.874  -2.952
    5    HA3  GLY   1           HA2      GLY   1  53.511   5.826  -3.864
    6    H    TRP   2           HN       TRP   2  56.752   5.580  -2.742
    7    HA   TRP   2           HA       TRP   2  57.442   8.398  -3.173
    8    HB2  TRP   2           HB2      TRP   2  58.681   6.954  -1.580
    9    HB3  TRP   2           HB1      TRP   2  59.223   5.940  -2.939
   10    HD1  TRP   2           HD1      TRP   2  59.331   9.680  -1.908
   11    HE1  TRP   2           HE1      TRP   2  61.576  10.712  -2.719
   12    HE3  TRP   2           HE3      TRP   2  61.267   5.603  -4.324
   13    HZ2  TRP   2           HZ2      TRP   2  63.882   9.854  -4.216
   14    HZ3  TRP   2           HZ3      TRP   2  63.490   5.732  -5.437
   15    HH2  TRP   2           HH2      TRP   2  64.798   7.852  -5.384
   16    H    GLY   3           HN       GLY   3  56.357   8.408  -5.359
   17    HA2  GLY   3           HA1      GLY   3  56.491   8.344  -7.674
   18    HA3  GLY   3           HA2      GLY   3  58.215   8.668  -7.407
   19    H    SER   4           HN       SER   4  55.823   6.001  -7.444
   20    HA   SER   4           HA       SER   4  57.531   4.432  -9.213
   21    HB2  SER   4           HB2      SER   4  57.905   2.549  -7.663
   22    HB3  SER   4           HB1      SER   4  58.701   4.027  -7.078
   23    HG   SER   4           HG       SER   4  57.260   4.181  -5.493
   24    H    PHE   5           HN       PHE   5  54.846   4.476  -6.862
   25    HA   PHE   5           HA       PHE   5  52.748   3.486  -6.952
   26    HB2  PHE   5           HB2      PHE   5  52.582   5.034  -8.895
   27    HB3  PHE   5           HB1      PHE   5  53.172   3.734  -9.957
   28    HD1  PHE   5           HD1      PHE   5  50.386   4.815  -7.732
   29    HD2  PHE   5           HD2      PHE   5  51.744   1.877 -10.588
   30    HE1  PHE   5           HE1      PHE   5  48.069   3.913  -7.906
   31    HE2  PHE   5           HE2      PHE   5  49.427   0.975 -10.763
   32    HZ   PHE   5           HZ       PHE   5  47.587   2.004  -9.433
   33    H    PHE   6           HN       PHE   6  53.203   1.469  -6.088
   34    HA   PHE   6           HA       PHE   6  54.286  -0.678  -7.731
   35    HB2  PHE   6           HB2      PHE   6  54.493  -0.509  -5.219
   36    HB3  PHE   6           HB1      PHE   6  52.761  -0.902  -5.108
   37    HD1  PHE   6           HD1      PHE   6  52.048  -3.173  -5.174
   38    HD2  PHE   6           HD2      PHE   6  56.012  -2.141  -6.540
   39    HE1  PHE   6           HE1      PHE   6  52.601  -5.592  -5.401
   40    HE2  PHE   6           HE2      PHE   6  56.562  -4.560  -6.767
   41    HZ   PHE   6           HZ       PHE   6  54.871  -6.286  -6.160
   42    H    LYS   7           HN       LYS   7  51.159  -0.655  -5.971
   43    HA   LYS   7           HA       LYS   7  49.624  -1.141  -8.396
   44    HB2  LYS   7           HB2      LYS   7  50.816  -3.363  -7.987
   45    HB3  LYS   7           HB1      LYS   7  49.859  -3.501  -6.492
   46    HG2  LYS   7           HG2      LYS   7  47.780  -3.110  -7.973
   47    HG3  LYS   7           HG1      LYS   7  48.854  -3.387  -9.364
   48    HD2  LYS   7           HD2      LYS   7  48.347  -5.326  -7.064
   49    HD3  LYS   7           HD1      LYS   7  47.738  -5.486  -8.728
   50    HE2  LYS   7           HE2      LYS   7  50.238  -5.383  -9.445
   51    HE3  LYS   7           HE1      LYS   7  50.597  -5.702  -7.731
   52    HZ1  LYS   7           HZ1      LYS   7  50.473  -7.759  -8.964
   53    HZ2  LYS   7           HZ2      LYS   7  48.913  -7.384  -9.519
   54    HZ3  LYS   7           HZ3      LYS   7  49.182  -7.678  -7.868
   55    H    LYS   8           HN       LYS   8  49.288  -2.493  -5.085
   56    HA   LYS   8           HA       LYS   8  46.600  -1.377  -4.873
   57    HB2  LYS   8           HB2      LYS   8  46.669  -2.323  -2.577
   58    HB3  LYS   8           HB1      LYS   8  47.157  -3.511  -3.809
   59    HG2  LYS   8           HG2      LYS   8  49.554  -2.972  -3.335
   60    HG3  LYS   8           HG1      LYS   8  49.025  -1.870  -2.041
   61    HD2  LYS   8           HD2      LYS   8  48.012  -3.690  -0.804
   62    HD3  LYS   8           HD1      LYS   8  48.274  -4.821  -2.153
   63    HE2  LYS   8           HE2      LYS   8  49.969  -5.006  -0.266
   64    HE3  LYS   8           HE1      LYS   8  50.673  -4.716  -1.875
   65    HZ1  LYS   8           HZ1      LYS   8  51.315  -3.275   0.239
   66    HZ2  LYS   8           HZ2      LYS   8  49.976  -2.367  -0.280
   67    HZ3  LYS   8           HZ3      LYS   8  51.289  -2.622  -1.326
   68    H    ALA   9           HN       ALA   9  45.865   0.059  -3.188
   69    HA   ALA   9           HA       ALA   9  47.752   1.662  -1.684
   70    HB1  ALA   9           HB1      ALA   9  46.536   2.873  -4.189
   71    HB2  ALA   9           HB2      ALA   9  48.266   2.650  -3.833
   72    HB3  ALA   9           HB3      ALA   9  47.304   3.809  -2.885
   73    H    ALA  10           HN       ALA  10  46.742   2.739  -0.064
   74    HA   ALA  10           HA       ALA  10  43.970   3.582  -0.251
   75    HB1  ALA  10           HB1      ALA  10  43.034   2.029   1.401
   76    HB2  ALA  10           HB2      ALA  10  44.581   1.147   1.462
   77    HB3  ALA  10           HB3      ALA  10  43.614   1.149  -0.033
   78    H    HIS  11           HN       HIS  11  44.809   5.530   0.495
   79    HA   HIS  11           HA       HIS  11  44.961   5.747   3.384
   80    HB2  HIS  11           HB2      HIS  11  47.328   6.744   3.350
   81    HB3  HIS  11           HB1      HIS  11  47.209   4.973   3.211
   82    HD1  HIS  11           HD1      HIS  11  48.932   4.203   1.585
   83    HD2  HIS  11           HD2      HIS  11  47.016   7.722   0.303
   84    HE1  HIS  11           HE1      HIS  11  49.853   4.770  -0.728
   85    H    ALA  12           HN       ALA  12  43.607   6.826   0.939
   86    HA   ALA  12           HA       ALA  12  44.505   9.510   0.466
   87    HB1  ALA  12           HB1      ALA  12  42.941   8.345  -1.018
   88    HB2  ALA  12           HB2      ALA  12  42.231   9.867  -0.429
   89    HB3  ALA  12           HB3      ALA  12  41.719   8.314   0.273
   90    H    GLY  13           HN       GLY  13  44.735  11.030   1.962
   91    HA2  GLY  13           HA1      GLY  13  44.232  12.425   3.736
   92    HA3  GLY  13           HA2      GLY  13  42.524  12.052   3.429
   93    H    LYS  14           HN       LYS  14  45.485  10.768   4.977
   94    HA   LYS  14           HA       LYS  14  44.039  10.174   7.417
   95    HB2  LYS  14           HB2      LYS  14  43.276   8.296   5.876
   96    HB3  LYS  14           HB1      LYS  14  44.967   7.741   5.845
   97    HG2  LYS  14           HG2      LYS  14  44.918   7.639   8.363
   98    HG3  LYS  14           HG1      LYS  14  43.183   8.029   8.302
   99    HD2  LYS  14           HD2      LYS  14  42.818   6.014   6.859
  100    HD3  LYS  14           HD1      LYS  14  44.540   5.604   7.045
  101    HE2  LYS  14           HE2      LYS  14  42.490   5.845   9.289
  102    HE3  LYS  14           HE1      LYS  14  43.208   4.338   8.674
  103    HZ1  LYS  14           HZ1      LYS  14  44.756   6.585   9.867
  104    HZ2  LYS  14           HZ2      LYS  14  45.364   5.072   9.388
  105    HZ3  LYS  14           HZ3      LYS  14  44.295   5.184  10.705
  106    H    HIS  15           HN       HIS  15  46.844   9.594   5.316
  107    HA   HIS  15           HA       HIS  15  48.652  10.315   7.507
  108    HB2  HIS  15           HB2      HIS  15  48.233   7.924   8.021
  109    HB3  HIS  15           HB1      HIS  15  48.754   7.488   6.375
  110    HD1  HIS  15           HD1      HIS  15  50.382  10.128   8.610
  111    HD2  HIS  15           HD2      HIS  15  51.205   6.302   7.068
  112    HE1  HIS  15           HE1      HIS  15  52.832   9.610   9.123
  113    H    ALA  16           HN       ALA  16  47.821   9.723   4.241
  114    HA   ALA  16           HA       ALA  16  50.463   9.739   3.083
  115    HB1  ALA  16           HB1      ALA  16  49.267  10.342   0.994
  116    HB2  ALA  16           HB2      ALA  16  47.778  10.588   1.941
  117    HB3  ALA  16           HB3      ALA  16  48.511   8.969   1.837
  118    H    GLY  17           HN       GLY  17  48.422  12.183   4.464
  119    HA2  GLY  17           HA1      GLY  17  49.013  14.387   4.971
  120    HA3  GLY  17           HA2      GLY  17  50.529  14.188   4.072
  121    H    LYS  18           HN       LYS  18  48.514  13.060   1.880
  122    HA   LYS  18           HA       LYS  18  48.621  15.257   0.140
  123    HB2  LYS  18           HB2      LYS  18  48.005  12.892  -0.460
  124    HB3  LYS  18           HB1      LYS  18  46.393  13.184   0.235
  125    HG2  LYS  18           HG2      LYS  18  45.932  14.930  -1.376
  126    HG3  LYS  18           HG1      LYS  18  47.610  14.903  -1.969
  127    HD2  LYS  18           HD2      LYS  18  47.282  12.543  -2.715
  128    HD3  LYS  18           HD1      LYS  18  45.584  12.633  -2.188
  129    HE2  LYS  18           HE2      LYS  18  46.861  14.485  -4.247
  130    HE3  LYS  18           HE1      LYS  18  45.859  13.068  -4.641
  131    HZ1  LYS  18           HZ1      LYS  18  44.439  14.525  -2.766
  132    HZ2  LYS  18           HZ2      LYS  18  44.102  14.379  -4.425
  133    HZ3  LYS  18           HZ3      LYS  18  45.045  15.673  -3.858
  134    H    ALA  19           HN       ALA  19  46.684  14.836   2.938
  135    HA   ALA  19           HA       ALA  19  45.537  17.477   2.663
  136    HB1  ALA  19           HB1      ALA  19  43.175  16.840   2.527
  137    HB2  ALA  19           HB2      ALA  19  43.632  15.125   2.383
  138    HB3  ALA  19           HB3      ALA  19  44.058  16.273   1.090
  139    H    ALA  20           HN       ALA  20  46.151  14.507   4.256
  140    HA   ALA  20           HA       ALA  20  44.568  15.036   6.648
  141    HB1  ALA  20           HB1      ALA  20  45.151  12.764   6.124
  142    HB2  ALA  20           HB2      ALA  20  46.012  13.215   7.616
  143    HB3  ALA  20           HB3      ALA  20  46.884  13.165   6.064
  144    H    LEU  21           HN       LEU  21  48.104  14.563   6.567
  145    HA   LEU  21           HA       LEU  21  48.514  16.276   8.839
  146    HB2  LEU  21           HB2      LEU  21  50.632  15.609   6.768
  147    HB3  LEU  21           HB1      LEU  21  50.834  15.885   8.514
  148    HG   LEU  21           HG       LEU  21  49.452  13.516   7.180
  149   HD11  LEU  21          HD11      LEU  21  51.866  13.626   9.034
  150   HD12  LEU  21          HD12      LEU  21  51.987  13.592   7.259
  151   HD13  LEU  21          HD13      LEU  21  51.261  12.219   8.128
  152   HD21  LEU  21          HD21      LEU  21  49.622  14.396  10.093
  153   HD22  LEU  21          HD22      LEU  21  49.326  12.702   9.632
  154   HD23  LEU  21          HD23      LEU  21  48.170  13.966   9.156
  155    H    THR  22           HN       THR  22  47.812  16.985   5.604
  156    HA   THR  22           HA       THR  22  47.973  18.926   4.337
  157    HB   THR  22           HB       THR  22  47.670  21.076   5.651
  158    HG1  THR  22           HG1      THR  22  47.075  19.993   7.980
  159   HG21  THR  22          HG21      THR  22  45.421  20.469   6.467
  160   HG22  THR  22          HG22      THR  22  45.858  18.744   6.408
  161   HG23  THR  22          HG23      THR  22  45.754  19.689   4.903
  162    H    HIS  23           HN       HIS  23  50.288  18.057   3.988
  163    HA   HIS  23           HA       HIS  23  52.455  19.471   5.298
  164    HB2  HIS  23           HB2      HIS  23  52.283  17.876   2.713
  165    HB3  HIS  23           HB1      HIS  23  53.798  18.573   3.332
  166    HD1  HIS  23           HD1      HIS  23  52.651  15.410   3.130
  167    HD2  HIS  23           HD2      HIS  23  53.568  17.754   6.494
  168    HE1  HIS  23           HE1      HIS  23  53.040  13.816   5.087
  169    H    TYR  24           HN       TYR  24  54.059  20.789   3.994
  170    HA   TYR  24           HA       TYR  24  54.452  22.838   2.974
  171    HB2  TYR  24           HB2      TYR  24  54.189  21.433   0.964
  172    HB3  TYR  24           HB1      TYR  24  52.434  21.731   0.978
  173    HD1  TYR  24           HD1      TYR  24  55.775  23.418   0.725
  174    HD2  TYR  24           HD2      TYR  24  51.525  23.738   0.037
  175    HE1  TYR  24           HE1      TYR  24  56.137  25.539  -0.531
  176    HE2  TYR  24           HE2      TYR  24  51.889  25.859  -1.220
  177    HH   TYR  24           HH       TYR  24  53.510  27.600  -1.476
  178    H    LEU  25           HN       LEU  25  53.624  24.218   4.544
  179    HA   LEU  25           HA       LEU  25  52.156  25.763   5.453
  180    HB2  LEU  25           HB2      LEU  25  52.596  26.962   3.410
  181    HB3  LEU  25           HB1      LEU  25  51.468  25.942   2.495
  182    HG   LEU  25           HG       LEU  25  49.556  26.886   3.643
  183   HD11  LEU  25          HD11      LEU  25  50.005  28.777   5.361
  184   HD12  LEU  25          HD12      LEU  25  51.661  28.130   5.456
  185   HD13  LEU  25          HD13      LEU  25  50.275  27.107   5.908
  186   HD21  LEU  25          HD21      LEU  25  50.679  28.222   1.798
  187   HD22  LEU  25          HD22      LEU  25  51.471  29.185   3.068
  188   HD23  LEU  25          HD23      LEU  25  49.697  29.191   2.921
  Start of MODEL   42
    1    H1   GLY   1           HT1      GLY   1  58.978   1.984 -14.576
    2    H2   GLY   1           HT2      GLY   1  60.655   1.752 -14.717
    3    H3   GLY   1           HT3      GLY   1  60.024   3.316 -14.505
    4    HA2  GLY   1           HA1      GLY   1  60.286   3.114 -12.374
    5    HA3  GLY   1           HA2      GLY   1  59.041   1.852 -12.423
    6    H    TRP   2           HN       TRP   2  61.544   2.216 -10.787
    7    HA   TRP   2           HA       TRP   2  63.343   0.082 -11.688
    8    HB2  TRP   2           HB2      TRP   2  63.137   1.503  -9.003
    9    HB3  TRP   2           HB1      TRP   2  64.485   0.478  -9.549
   10    HD1  TRP   2           HD1      TRP   2  62.690   3.767 -10.480
   11    HE1  TRP   2           HE1      TRP   2  64.359   5.328 -11.719
   12    HE3  TRP   2           HE3      TRP   2  66.685   0.584 -10.799
   13    HZ2  TRP   2           HZ2      TRP   2  67.062   5.182 -12.704
   14    HZ3  TRP   2           HZ3      TRP   2  68.800   1.315 -11.892
   15    HH2  TRP   2           HH2      TRP   2  68.991   3.609 -12.844
   16    H    GLY   3           HN       GLY   3  60.509  -0.634 -11.367
   17    HA2  GLY   3           HA1      GLY   3  59.451  -2.591 -10.681
   18    HA3  GLY   3           HA2      GLY   3  60.932  -3.079  -9.833
   19    H    SER   4           HN       SER   4  61.255  -0.840  -8.148
   20    HA   SER   4           HA       SER   4  59.336  -1.560  -6.067
   21    HB2  SER   4           HB2      SER   4  60.591   0.058  -4.698
   22    HB3  SER   4           HB1      SER   4  61.699  -1.033  -5.560
   23    HG   SER   4           HG       SER   4  61.589   0.756  -7.238
   24    H    PHE   5           HN       PHE   5  57.377  -0.946  -7.262
   25    HA   PHE   5           HA       PHE   5  56.870   1.801  -7.969
   26    HB2  PHE   5           HB2      PHE   5  54.820  -0.300  -7.172
   27    HB3  PHE   5           HB1      PHE   5  54.573   1.121  -8.215
   28    HD1  PHE   5           HD1      PHE   5  55.774  -2.333  -8.047
   29    HD2  PHE   5           HD2      PHE   5  55.730   1.254 -10.449
   30    HE1  PHE   5           HE1      PHE   5  56.465  -3.659 -10.041
   31    HE2  PHE   5           HE2      PHE   5  56.421  -0.072 -12.442
   32    HZ   PHE   5           HZ       PHE   5  56.765  -2.532 -12.244
   33    H    PHE   6           HN       PHE   6  55.554   3.360  -6.934
   34    HA   PHE   6           HA       PHE   6  56.020   3.509  -4.065
   35    HB2  PHE   6           HB2      PHE   6  54.351   5.231  -5.941
   36    HB3  PHE   6           HB1      PHE   6  54.709   5.626  -4.243
   37    HD1  PHE   6           HD1      PHE   6  57.034   6.117  -3.520
   38    HD2  PHE   6           HD2      PHE   6  56.061   5.402  -7.664
   39    HE1  PHE   6           HE1      PHE   6  59.229   7.080  -4.202
   40    HE2  PHE   6           HE2      PHE   6  58.255   6.365  -8.345
   41    HZ   PHE   6           HZ       PHE   6  59.855   7.169  -6.612
   42    H    LYS   7           HN       LYS   7  53.393   2.487  -6.155
   43    HA   LYS   7           HA       LYS   7  51.307   1.606  -5.665
   44    HB2  LYS   7           HB2      LYS   7  52.824   0.070  -4.321
   45    HB3  LYS   7           HB1      LYS   7  52.431   1.059  -2.894
   46    HG2  LYS   7           HG2      LYS   7  49.993   0.621  -3.323
   47    HG3  LYS   7           HG1      LYS   7  50.461  -0.477  -4.644
   48    HD2  LYS   7           HD2      LYS   7  51.840  -1.781  -2.978
   49    HD3  LYS   7           HD1      LYS   7  51.161  -0.759  -1.690
   50    HE2  LYS   7           HE2      LYS   7  49.782  -2.715  -1.746
   51    HE3  LYS   7           HE1      LYS   7  48.840  -1.449  -2.568
   52    HZ1  LYS   7           HZ1      LYS   7  50.247  -2.481  -4.601
   53    HZ2  LYS   7           HZ2      LYS   7  48.686  -2.994  -4.171
   54    HZ3  LYS   7           HZ3      LYS   7  50.046  -3.864  -3.640
   55    H    LYS   8           HN       LYS   8  50.258   3.642  -5.809
   56    HA   LYS   8           HA       LYS   8  49.989   5.412  -3.553
   57    HB2  LYS   8           HB2      LYS   8  48.229   5.017  -6.005
   58    HB3  LYS   8           HB1      LYS   8  48.087   6.369  -4.856
   59    HG2  LYS   8           HG2      LYS   8  50.445   7.009  -5.337
   60    HG3  LYS   8           HG1      LYS   8  50.549   5.684  -6.522
   61    HD2  LYS   8           HD2      LYS   8  48.664   6.695  -7.798
   62    HD3  LYS   8           HD1      LYS   8  48.614   8.040  -6.634
   63    HE2  LYS   8           HE2      LYS   8  50.831   8.766  -7.247
   64    HE3  LYS   8           HE1      LYS   8  51.110   7.295  -8.210
   65    HZ1  LYS   8           HZ1      LYS   8  49.104   9.422  -8.776
   66    HZ2  LYS   8           HZ2      LYS   8  49.277   7.985  -9.665
   67    HZ3  LYS   8           HZ3      LYS   8  50.532   9.130  -9.642
   68    H    ALA   9           HN       ALA   9  49.202   4.695  -1.661
   69    HA   ALA   9           HA       ALA   9  47.257   2.595  -1.425
   70    HB1  ALA   9           HB1      ALA   9  47.975   4.809   0.528
   71    HB2  ALA   9           HB2      ALA   9  48.791   3.232   0.390
   72    HB3  ALA   9           HB3      ALA   9  47.094   3.314   0.921
   73    H    ALA  10           HN       ALA  10  45.211   3.192   0.078
   74    HA   ALA  10           HA       ALA  10  43.413   4.576  -1.712
   75    HB1  ALA  10           HB1      ALA  10  41.739   4.194   0.041
   76    HB2  ALA  10           HB2      ALA  10  43.027   3.751   1.188
   77    HB3  ALA  10           HB3      ALA  10  42.708   2.728  -0.235
   78    H    HIS  11           HN       HIS  11  45.127   5.454   1.268
   79    HA   HIS  11           HA       HIS  11  44.812   8.286   0.660
   80    HB2  HIS  11           HB2      HIS  11  43.600   8.854   2.774
   81    HB3  HIS  11           HB1      HIS  11  42.598   7.942   1.619
   82    HD1  HIS  11           HD1      HIS  11  44.980   7.138   4.544
   83    HD2  HIS  11           HD2      HIS  11  41.335   5.853   2.888
   84    HE1  HIS  11           HE1      HIS  11  44.120   5.217   5.992
   85    H    ALA  12           HN       ALA  12  46.375   9.479   1.626
   86    HA   ALA  12           HA       ALA  12  47.673   8.594   4.092
   87    HB1  ALA  12           HB1      ALA  12  49.294   8.514   1.524
   88    HB2  ALA  12           HB2      ALA  12  48.692   7.075   2.383
   89    HB3  ALA  12           HB3      ALA  12  49.868   8.156   3.169
   90    H    GLY  13           HN       GLY  13  47.440  10.583   4.969
   91    HA2  GLY  13           HA1      GLY  13  47.956  12.801   5.370
   92    HA3  GLY  13           HA2      GLY  13  49.319  12.614   4.248
   93    H    LYS  14           HN       LYS  14  45.751  12.469   3.855
   94    HA   LYS  14           HA       LYS  14  45.686  14.976   2.385
   95    HB2  LYS  14           HB2      LYS  14  46.746  13.589   0.653
   96    HB3  LYS  14           HB1      LYS  14  45.437  12.392   0.791
   97    HG2  LYS  14           HG2      LYS  14  43.794  13.989   0.001
   98    HG3  LYS  14           HG1      LYS  14  44.973  15.320   0.086
   99    HD2  LYS  14           HD2      LYS  14  46.320  14.302  -1.680
  100    HD3  LYS  14           HD1      LYS  14  45.262  12.870  -1.705
  101    HE2  LYS  14           HE2      LYS  14  44.734  14.481  -3.547
  102    HE3  LYS  14           HE1      LYS  14  43.364  14.242  -2.436
  103    HZ1  LYS  14           HZ1      LYS  14  43.739  16.292  -1.425
  104    HZ2  LYS  14           HZ2      LYS  14  43.982  16.619  -3.074
  105    HZ3  LYS  14           HZ3      LYS  14  45.314  16.436  -2.037
  106    H    HIS  15           HN       HIS  15  43.829  12.065   1.539
  107    HA   HIS  15           HA       HIS  15  41.333  13.412   2.132
  108    HB2  HIS  15           HB2      HIS  15  41.578  11.665   0.379
  109    HB3  HIS  15           HB1      HIS  15  41.876  10.455   1.650
  110    HD1  HIS  15           HD1      HIS  15  39.876  10.154   3.469
  111    HD2  HIS  15           HD2      HIS  15  38.885  12.070  -0.140
  112    HE1  HIS  15           HE1      HIS  15  37.329  10.151   3.279
  113    H    ALA  16           HN       ALA  16  43.619  11.710   4.035
  114    HA   ALA  16           HA       ALA  16  41.859  10.512   5.963
  115    HB1  ALA  16           HB1      ALA  16  44.695  11.563   6.245
  116    HB2  ALA  16           HB2      ALA  16  44.214   9.906   5.812
  117    HB3  ALA  16           HB3      ALA  16  43.859  10.540   7.437
  118    H    GLY  17           HN       GLY  17  43.602  13.652   5.944
  119    HA2  GLY  17           HA1      GLY  17  42.957  15.671   6.904
  120    HA3  GLY  17           HA2      GLY  17  41.406  14.940   7.361
  121    H    LYS  18           HN       LYS  18  42.637  12.698   8.791
  122    HA   LYS  18           HA       LYS  18  42.781  13.901  11.386
  123    HB2  LYS  18           HB2      LYS  18  43.670  11.169  10.383
  124    HB3  LYS  18           HB1      LYS  18  43.598  11.633  12.102
  125    HG2  LYS  18           HG2      LYS  18  41.215  11.992  11.994
  126    HG3  LYS  18           HG1      LYS  18  41.214  11.847  10.219
  127    HD2  LYS  18           HD2      LYS  18  41.801   9.498  10.339
  128    HD3  LYS  18           HD1      LYS  18  42.065   9.603  12.097
  129    HE2  LYS  18           HE2      LYS  18  39.394  10.174  10.740
  130    HE3  LYS  18           HE1      LYS  18  39.832   8.604  11.455
  131    HZ1  LYS  18           HZ1      LYS  18  39.017  11.035  12.744
  132    HZ2  LYS  18           HZ2      LYS  18  40.455  10.413  13.398
  133    HZ3  LYS  18           HZ3      LYS  18  39.056   9.451  13.347
  134    H    ALA  19           HN       ALA  19  45.002  14.024   8.901
  135    HA   ALA  19           HA       ALA  19  47.077  15.043  10.684
  136    HB1  ALA  19           HB1      ALA  19  48.814  13.428  10.103
  137    HB2  ALA  19           HB2      ALA  19  47.649  12.491   9.136
  138    HB3  ALA  19           HB3      ALA  19  47.456  12.603  10.902
  139    H    ALA  20           HN       ALA  20  45.599  16.214   8.644
  140    HA   ALA  20           HA       ALA  20  47.715  17.263   6.998
  141    HB1  ALA  20           HB1      ALA  20  45.798  15.307   5.691
  142    HB2  ALA  20           HB2      ALA  20  47.574  15.207   5.755
  143    HB3  ALA  20           HB3      ALA  20  46.786  16.480   4.791
  144    H    LEU  21           HN       LEU  21  44.600  16.693   5.519
  145    HA   LEU  21           HA       LEU  21  42.854  18.124   5.046
  146    HB2  LEU  21           HB2      LEU  21  42.883  18.065   7.684
  147    HB3  LEU  21           HB1      LEU  21  43.457  19.737   7.545
  148    HG   LEU  21           HG       LEU  21  40.889  18.608   6.339
  149   HD11  LEU  21          HD11      LEU  21  39.762  20.014   7.991
  150   HD12  LEU  21          HD12      LEU  21  41.323  20.650   8.564
  151   HD13  LEU  21          HD13      LEU  21  40.907  18.939   8.829
  152   HD21  LEU  21          HD21      LEU  21  41.585  20.318   4.841
  153   HD22  LEU  21          HD22      LEU  21  42.257  21.323   6.149
  154   HD23  LEU  21          HD23      LEU  21  40.493  21.165   5.958
  155    H    THR  22           HN       THR  22  44.927  20.489   6.791
  156    HA   THR  22           HA       THR  22  44.669  22.385   4.594
  157    HB   THR  22           HB       THR  22  46.600  22.470   6.955
  158    HG1  THR  22           HG1      THR  22  44.381  22.245   7.556
  159   HG21  THR  22          HG21      THR  22  45.517  24.541   5.008
  160   HG22  THR  22          HG22      THR  22  47.215  24.118   5.330
  161   HG23  THR  22          HG23      THR  22  46.264  24.981   6.561
  162    H    HIS  23           HN       HIS  23  46.685  19.711   5.241
  163    HA   HIS  23           HA       HIS  23  48.549  18.883   4.149
  164    HB2  HIS  23           HB2      HIS  23  48.173  21.030   2.036
  165    HB3  HIS  23           HB1      HIS  23  48.846  19.393   1.851
  166    HD1  HIS  23           HD1      HIS  23  47.028  17.381   2.497
  167    HD2  HIS  23           HD2      HIS  23  45.509  21.127   1.339
  168    HE1  HIS  23           HE1      HIS  23  44.584  17.040   1.835
  169    H    TYR  24           HN       TYR  24  50.703  19.113   4.396
  170    HA   TYR  24           HA       TYR  24  51.705  21.420   5.759
  171    HB2  TYR  24           HB2      TYR  24  52.679  19.103   5.856
  172    HB3  TYR  24           HB1      TYR  24  53.310  19.351   4.210
  173    HD1  TYR  24           HD1      TYR  24  55.096  20.982   3.767
  174    HD2  TYR  24           HD2      TYR  24  53.595  20.342   7.763
  175    HE1  TYR  24           HE1      TYR  24  57.063  22.194   4.700
  176    HE2  TYR  24           HE2      TYR  24  55.563  21.553   8.696
  177    HH   TYR  24           HH       TYR  24  57.433  23.576   6.960
  178    H    LEU  25           HN       LEU  25  51.724  20.442   2.343
  179    HA   LEU  25           HA       LEU  25  52.187  21.678   0.441
  180    HB2  LEU  25           HB2      LEU  25  50.799  23.402   1.886
  181    HB3  LEU  25           HB1      LEU  25  52.359  24.228   2.075
  182    HG   LEU  25           HG       LEU  25  50.995  23.520  -0.566
  183   HD11  LEU  25          HD11      LEU  25  49.954  25.409   0.642
  184   HD12  LEU  25          HD12      LEU  25  50.821  25.987  -0.801
  185   HD13  LEU  25          HD13      LEU  25  51.546  26.186   0.812
  186   HD21  LEU  25          HD21      LEU  25  52.911  25.056  -1.447
  187   HD22  LEU  25          HD22      LEU  25  53.329  23.384  -1.010
  188   HD23  LEU  25          HD23      LEU  25  53.713  24.719   0.106
  Start of MODEL   43
    1    H1   GLY   1           HT1      GLY   1  59.938   1.920  -7.643
    2    H2   GLY   1           HT2      GLY   1  61.218   0.884  -7.220
    3    H3   GLY   1           HT3      GLY   1  59.642   0.565  -6.670
    4    HA2  GLY   1           HA1      GLY   1  59.163   0.607  -9.229
    5    HA3  GLY   1           HA2      GLY   1  60.864   0.101  -9.250
    6    H    TRP   2           HN       TRP   2  61.482  -1.880  -8.368
    7    HA   TRP   2           HA       TRP   2  59.540  -3.970  -8.614
    8    HB2  TRP   2           HB2      TRP   2  62.228  -4.008  -7.182
    9    HB3  TRP   2           HB1      TRP   2  61.307  -5.432  -7.728
   10    HD1  TRP   2           HD1      TRP   2  63.267  -2.418  -9.075
   11    HE1  TRP   2           HE1      TRP   2  63.947  -2.860 -11.545
   12    HE3  TRP   2           HE3      TRP   2  60.711  -6.786  -9.846
   13    HZ2  TRP   2           HZ2      TRP   2  63.432  -4.854 -13.558
   14    HZ3  TRP   2           HZ3      TRP   2  60.820  -7.942 -12.048
   15    HH2  TRP   2           HH2      TRP   2  62.178  -6.980 -13.904
   16    H    GLY   3           HN       GLY   3  57.813  -3.114  -7.245
   17    HA2  GLY   3           HA1      GLY   3  57.556  -4.499  -4.824
   18    HA3  GLY   3           HA2      GLY   3  58.184  -2.896  -4.391
   19    H    SER   4           HN       SER   4  56.819  -1.654  -6.740
   20    HA   SER   4           HA       SER   4  53.962  -2.085  -6.339
   21    HB2  SER   4           HB2      SER   4  54.511  -0.855  -4.251
   22    HB3  SER   4           HB1      SER   4  55.195   0.466  -5.224
   23    HG   SER   4           HG       SER   4  52.577  -0.196  -4.703
   24    H    PHE   5           HN       PHE   5  55.392  -2.226  -8.629
   25    HA   PHE   5           HA       PHE   5  55.721   0.220 -10.063
   26    HB2  PHE   5           HB2      PHE   5  56.649  -1.931 -10.824
   27    HB3  PHE   5           HB1      PHE   5  55.005  -2.553 -11.099
   28    HD1  PHE   5           HD1      PHE   5  57.573  -0.122 -12.246
   29    HD2  PHE   5           HD2      PHE   5  53.671  -1.809 -12.997
   30    HE1  PHE   5           HE1      PHE   5  57.563   0.909 -14.515
   31    HE2  PHE   5           HE2      PHE   5  53.663  -0.779 -15.266
   32    HZ   PHE   5           HZ       PHE   5  55.640   0.518 -16.051
   33    H    PHE   6           HN       PHE   6  52.905  -1.872  -9.524
   34    HA   PHE   6           HA       PHE   6  51.179  -0.712 -11.472
   35    HB2  PHE   6           HB2      PHE   6  50.453  -1.837  -8.737
   36    HB3  PHE   6           HB1      PHE   6  49.350  -1.627 -10.118
   37    HD1  PHE   6           HD1      PHE   6  52.022  -3.678  -8.654
   38    HD2  PHE   6           HD2      PHE   6  49.685  -2.961 -12.210
   39    HE1  PHE   6           HE1      PHE   6  52.724  -5.890  -9.561
   40    HE2  PHE   6           HE2      PHE   6  50.385  -5.173 -13.117
   41    HZ   PHE   6           HZ       PHE   6  51.976  -6.596 -11.832
   42    H    LYS   7           HN       LYS   7  48.959   0.290 -10.373
   43    HA   LYS   7           HA       LYS   7  49.559   3.024  -9.978
   44    HB2  LYS   7           HB2      LYS   7  47.114   1.479  -9.031
   45    HB3  LYS   7           HB1      LYS   7  47.219   3.245  -9.232
   46    HG2  LYS   7           HG2      LYS   7  47.883   2.782 -11.676
   47    HG3  LYS   7           HG1      LYS   7  47.375   1.100 -11.388
   48    HD2  LYS   7           HD2      LYS   7  45.646   3.597 -11.087
   49    HD3  LYS   7           HD1      LYS   7  45.508   2.361 -12.359
   50    HE2  LYS   7           HE2      LYS   7  45.174   0.672 -10.401
   51    HE3  LYS   7           HE1      LYS   7  44.868   2.115  -9.402
   52    HZ1  LYS   7           HZ1      LYS   7  42.845   2.272 -10.256
   53    HZ2  LYS   7           HZ2      LYS   7  43.093   0.817 -11.097
   54    HZ3  LYS   7           HZ3      LYS   7  43.448   2.302 -11.840
   55    H    LYS   8           HN       LYS   8  48.994   4.354  -8.041
   56    HA   LYS   8           HA       LYS   8  49.056   3.185  -5.410
   57    HB2  LYS   8           HB2      LYS   8  51.350   4.018  -4.768
   58    HB3  LYS   8           HB1      LYS   8  51.360   2.624  -5.874
   59    HG2  LYS   8           HG2      LYS   8  51.669   4.154  -7.801
   60    HG3  LYS   8           HG1      LYS   8  51.675   5.546  -6.690
   61    HD2  LYS   8           HD2      LYS   8  53.672   4.681  -5.557
   62    HD3  LYS   8           HD1      LYS   8  53.643   3.219  -6.571
   63    HE2  LYS   8           HE2      LYS   8  54.011   4.562  -8.588
   64    HE3  LYS   8           HE1      LYS   8  53.935   6.062  -7.633
   65    HZ1  LYS   8           HZ1      LYS   8  55.803   4.308  -6.461
   66    HZ2  LYS   8           HZ2      LYS   8  56.071   5.838  -7.152
   67    HZ3  LYS   8           HZ3      LYS   8  56.158   4.441  -8.116
   68    H    ALA   9           HN       ALA   9  49.752   4.978  -3.743
   69    HA   ALA   9           HA       ALA   9  49.507   7.729  -4.604
   70    HB1  ALA   9           HB1      ALA   9  47.054   6.535  -3.271
   71    HB2  ALA   9           HB2      ALA   9  47.168   6.947  -4.999
   72    HB3  ALA   9           HB3      ALA   9  47.287   8.227  -3.767
   73    H    ALA  10           HN       ALA  10  49.547   5.208  -2.205
   74    HA   ALA  10           HA       ALA  10  50.139   5.221   0.041
   75    HB1  ALA  10           HB1      ALA  10  52.239   6.027  -1.110
   76    HB2  ALA  10           HB2      ALA  10  52.082   6.515   0.594
   77    HB3  ALA  10           HB3      ALA  10  51.743   7.686  -0.704
   78    H    HIS  11           HN       HIS  11  50.979   7.624   1.556
   79    HA   HIS  11           HA       HIS  11  48.693   9.439   1.582
   80    HB2  HIS  11           HB2      HIS  11  48.014   8.753   3.954
   81    HB3  HIS  11           HB1      HIS  11  47.514   7.654   2.647
   82    HD1  HIS  11           HD1      HIS  11  50.243   8.044   5.308
   83    HD2  HIS  11           HD2      HIS  11  48.550   5.073   2.858
   84    HE1  HIS  11           HE1      HIS  11  51.223   5.801   6.044
   85    H    ALA  12           HN       ALA  12  51.514   9.710   1.366
   86    HA   ALA  12           HA       ALA  12  52.611  10.441   3.969
   87    HB1  ALA  12           HB1      ALA  12  53.949   9.717   1.954
   88    HB2  ALA  12           HB2      ALA  12  54.513  11.220   2.725
   89    HB3  ALA  12           HB3      ALA  12  53.568  11.291   1.216
   90    H    GLY  13           HN       GLY  13  50.584  11.741   4.488
   91    HA2  GLY  13           HA1      GLY  13  49.577  13.802   4.788
   92    HA3  GLY  13           HA2      GLY  13  51.210  14.470   4.603
   93    H    LYS  14           HN       LYS  14  48.116  13.885   3.115
   94    HA   LYS  14           HA       LYS  14  48.574  15.980   1.170
   95    HB2  LYS  14           HB2      LYS  14  49.889  14.145   0.106
   96    HB3  LYS  14           HB1      LYS  14  48.420  13.141   0.081
   97    HG2  LYS  14           HG2      LYS  14  47.291  14.684  -1.392
   98    HG3  LYS  14           HG1      LYS  14  48.579  15.898  -1.203
   99    HD2  LYS  14           HD2      LYS  14  50.168  14.517  -2.383
  100    HD3  LYS  14           HD1      LYS  14  49.062  13.124  -2.365
  101    HE2  LYS  14           HE2      LYS  14  49.020  14.204  -4.576
  102    HE3  LYS  14           HE1      LYS  14  47.449  14.411  -3.765
  103    HZ1  LYS  14           HZ1      LYS  14  48.714  16.427  -4.857
  104    HZ2  LYS  14           HZ2      LYS  14  49.500  16.466  -3.352
  105    HZ3  LYS  14           HZ3      LYS  14  47.810  16.619  -3.435
  106    H    HIS  15           HN       HIS  15  46.740  13.156   2.262
  107    HA   HIS  15           HA       HIS  15  44.261  14.657   2.195
  108    HB2  HIS  15           HB2      HIS  15  44.506  14.139  -0.236
  109    HB3  HIS  15           HB1      HIS  15  44.538  12.405   0.165
  110    HD1  HIS  15           HD1      HIS  15  42.272  15.478   0.574
  111    HD2  HIS  15           HD2      HIS  15  42.013  11.286   0.367
  112    HE1  HIS  15           HE1      HIS  15  39.791  14.865   0.609
  113    H    ALA  16           HN       ALA  16  46.132  12.730   3.729
  114    HA   ALA  16           HA       ALA  16  43.995  11.408   5.183
  115    HB1  ALA  16           HB1      ALA  16  44.084   9.827   3.344
  116    HB2  ALA  16           HB2      ALA  16  44.811   9.081   4.788
  117    HB3  ALA  16           HB3      ALA  16  45.853   9.705   3.487
  118    H    GLY  17           HN       GLY  17  46.441  13.181   5.400
  119    HA2  GLY  17           HA1      GLY  17  48.380  11.634   6.931
  120    HA3  GLY  17           HA2      GLY  17  48.318  13.399   6.757
  121    H    LYS  18           HN       LYS  18  45.421  11.780   7.766
  122    HA   LYS  18           HA       LYS  18  44.265  11.876   9.775
  123    HB2  LYS  18           HB2      LYS  18  46.992  11.838  11.117
  124    HB3  LYS  18           HB1      LYS  18  45.444  11.245  11.766
  125    HG2  LYS  18           HG2      LYS  18  45.357   9.534   9.957
  126    HG3  LYS  18           HG1      LYS  18  46.933  10.106   9.358
  127    HD2  LYS  18           HD2      LYS  18  47.907   9.611  11.632
  128    HD3  LYS  18           HD1      LYS  18  46.348   8.883  12.087
  129    HE2  LYS  18           HE2      LYS  18  48.192   7.990   9.830
  130    HE3  LYS  18           HE1      LYS  18  47.836   7.107  11.334
  131    HZ1  LYS  18           HZ1      LYS  18  46.450   6.173   9.713
  132    HZ2  LYS  18           HZ2      LYS  18  46.016   7.682   9.061
  133    HZ3  LYS  18           HZ3      LYS  18  45.431   7.211  10.586
  134    H    ALA  19           HN       ALA  19  45.895  14.340   8.551
  135    HA   ALA  19           HA       ALA  19  44.664  16.292  10.288
  136    HB1  ALA  19           HB1      ALA  19  47.684  16.014  10.476
  137    HB2  ALA  19           HB2      ALA  19  46.518  15.686  11.780
  138    HB3  ALA  19           HB3      ALA  19  46.719  17.343  11.160
  139    H    ALA  20           HN       ALA  20  46.960  15.400   7.776
  140    HA   ALA  20           HA       ALA  20  47.249  18.080   6.695
  141    HB1  ALA  20           HB1      ALA  20  48.875  16.233   6.321
  142    HB2  ALA  20           HB2      ALA  20  48.299  16.967   4.805
  143    HB3  ALA  20           HB3      ALA  20  47.655  15.395   5.334
  144    H    LEU  21           HN       LEU  21  44.770  15.687   6.590
  145    HA   LEU  21           HA       LEU  21  43.644  16.026   4.047
  146    HB2  LEU  21           HB2      LEU  21  42.734  14.415   5.605
  147    HB3  LEU  21           HB1      LEU  21  42.310  15.692   6.763
  148    HG   LEU  21           HG       LEU  21  40.598  16.569   5.279
  149   HD11  LEU  21          HD11      LEU  21  40.159  15.247   3.080
  150   HD12  LEU  21          HD12      LEU  21  41.821  14.638   3.271
  151   HD13  LEU  21          HD13      LEU  21  41.525  16.384   3.093
  152   HD21  LEU  21          HD21      LEU  21  39.988  14.605   6.656
  153   HD22  LEU  21          HD22      LEU  21  40.507  13.520   5.345
  154   HD23  LEU  21          HD23      LEU  21  39.108  14.593   5.110
  155    H    THR  22           HN       THR  22  42.932  17.942   7.007
  156    HA   THR  22           HA       THR  22  41.247  19.837   5.662
  157    HB   THR  22           HB       THR  22  41.458  21.200   7.656
  158    HG1  THR  22           HG1      THR  22  43.904  19.980   7.731
  159   HG21  THR  22          HG21      THR  22  40.155  19.134   7.919
  160   HG22  THR  22          HG22      THR  22  41.024  19.502   9.429
  161   HG23  THR  22          HG23      THR  22  41.633  18.234   8.337
  162    H    HIS  23           HN       HIS  23  44.724  19.504   5.998
  163    HA   HIS  23           HA       HIS  23  46.473  20.818   5.215
  164    HB2  HIS  23           HB2      HIS  23  45.429  20.163   3.066
  165    HB3  HIS  23           HB1      HIS  23  44.393  21.609   3.135
  166    HD1  HIS  23           HD1      HIS  23  48.154  21.174   3.837
  167    HD2  HIS  23           HD2      HIS  23  45.553  23.450   1.443
  168    HE1  HIS  23           HE1      HIS  23  49.588  22.812   2.499
  169    H    TYR  24           HN       TYR  24  46.602  22.208   7.016
  170    HA   TYR  24           HA       TYR  24  45.026  24.684   7.063
  171    HB2  TYR  24           HB2      TYR  24  47.414  23.747   8.700
  172    HB3  TYR  24           HB1      TYR  24  46.486  25.232   9.012
  173    HD1  TYR  24           HD1      TYR  24  44.005  25.065   9.518
  174    HD2  TYR  24           HD2      TYR  24  46.582  21.604   9.401
  175    HE1  TYR  24           HE1      TYR  24  42.303  23.755  10.781
  176    HE2  TYR  24           HE2      TYR  24  44.879  20.294  10.663
  177    HH   TYR  24           HH       TYR  24  41.843  20.964  10.956
  178    H    LEU  25           HN       LEU  25  48.571  24.405   7.383
  179    HA   LEU  25           HA       LEU  25  49.121  25.885   4.955
  180    HB2  LEU  25           HB2      LEU  25  48.209  27.787   6.125
  181    HB3  LEU  25           HB1      LEU  25  49.110  27.387   7.602
  182    HG   LEU  25           HG       LEU  25  51.225  27.951   6.560
  183   HD11  LEU  25          HD11      LEU  25  51.152  28.874   4.137
  184   HD12  LEU  25          HD12      LEU  25  49.568  28.069   4.010
  185   HD13  LEU  25          HD13      LEU  25  51.032  27.111   4.335
  186   HD21  LEU  25          HD21      LEU  25  49.152  30.032   5.736
  187   HD22  LEU  25          HD22      LEU  25  50.874  30.325   6.083
  188   HD23  LEU  25          HD23      LEU  25  49.773  29.824   7.391
  Start of MODEL   44
    1    H1   GLY   1           HT1      GLY   1  52.739   7.341  -0.999
    2    H2   GLY   1           HT2      GLY   1  53.820   7.218   0.308
    3    H3   GLY   1           HT3      GLY   1  54.242   6.588  -1.214
    4    HA2  GLY   1           HA1      GLY   1  53.531   9.334  -1.322
    5    HA3  GLY   1           HA2      GLY   1  54.900   9.011  -0.240
    6    H    TRP   2           HN       TRP   2  55.697   6.593  -1.764
    7    HA   TRP   2           HA       TRP   2  57.487   7.924  -3.607
    8    HB2  TRP   2           HB2      TRP   2  56.827   4.961  -3.375
    9    HB3  TRP   2           HB1      TRP   2  58.268   5.673  -4.140
   10    HD1  TRP   2           HD1      TRP   2  56.580   5.337  -0.689
   11    HE1  TRP   2           HE1      TRP   2  58.381   5.569   1.172
   12    HE3  TRP   2           HE3      TRP   2  60.616   6.509  -3.614
   13    HZ2  TRP   2           HZ2      TRP   2  61.190   6.182   1.334
   14    HZ3  TRP   2           HZ3      TRP   2  62.846   6.914  -2.584
   15    HH2  TRP   2           HH2      TRP   2  63.137   6.751  -0.116
   16    H    GLY   3           HN       GLY   3  57.417   8.187  -5.773
   17    HA2  GLY   3           HA1      GLY   3  54.837   7.982  -7.065
   18    HA3  GLY   3           HA2      GLY   3  56.368   8.465  -7.822
   19    H    SER   4           HN       SER   4  56.558   5.485  -6.162
   20    HA   SER   4           HA       SER   4  57.036   4.050  -8.633
   21    HB2  SER   4           HB2      SER   4  57.323   2.100  -7.190
   22    HB3  SER   4           HB1      SER   4  58.139   3.504  -6.468
   23    HG   SER   4           HG       SER   4  56.961   2.814  -4.813
   24    H    PHE   5           HN       PHE   5  55.903   1.651  -8.540
   25    HA   PHE   5           HA       PHE   5  53.229   2.157  -9.494
   26    HB2  PHE   5           HB2      PHE   5  54.646  -0.436  -8.765
   27    HB3  PHE   5           HB1      PHE   5  53.083  -0.337  -9.609
   28    HD1  PHE   5           HD1      PHE   5  52.935   0.491 -11.913
   29    HD2  PHE   5           HD2      PHE   5  56.726   0.279  -9.862
   30    HE1  PHE   5           HE1      PHE   5  54.124   0.812 -14.079
   31    HE2  PHE   5           HE2      PHE   5  57.915   0.600 -12.028
   32    HZ   PHE   5           HZ       PHE   5  56.615   0.880 -14.135
   33    H    PHE   6           HN       PHE   6  51.321   2.182  -8.485
   34    HA   PHE   6           HA       PHE   6  51.183   2.137  -5.620
   35    HB2  PHE   6           HB2      PHE   6  48.704   2.125  -5.999
   36    HB3  PHE   6           HB1      PHE   6  49.557   3.381  -6.928
   37    HD1  PHE   6           HD1      PHE   6  47.755   0.153  -7.110
   38    HD2  PHE   6           HD2      PHE   6  49.842   3.189  -9.361
   39    HE1  PHE   6           HE1      PHE   6  46.848  -0.794  -9.229
   40    HE2  PHE   6           HE2      PHE   6  48.933   2.241 -11.480
   41    HZ   PHE   6           HZ       PHE   6  47.497   0.205 -11.417
   42    H    LYS   7           HN       LYS   7  49.403   0.703  -4.527
   43    HA   LYS   7           HA       LYS   7  49.072  -1.991  -5.494
   44    HB2  LYS   7           HB2      LYS   7  50.541  -3.111  -3.782
   45    HB3  LYS   7           HB1      LYS   7  51.438  -2.265  -5.067
   46    HG2  LYS   7           HG2      LYS   7  51.683  -0.288  -3.564
   47    HG3  LYS   7           HG1      LYS   7  50.851  -1.189  -2.273
   48    HD2  LYS   7           HD2      LYS   7  52.605  -2.846  -2.188
   49    HD3  LYS   7           HD1      LYS   7  53.369  -2.196  -3.659
   50    HE2  LYS   7           HE2      LYS   7  53.864  -0.082  -2.490
   51    HE3  LYS   7           HE1      LYS   7  53.056  -0.688  -1.025
   52    HZ1  LYS   7           HZ1      LYS   7  54.952  -2.582  -1.909
   53    HZ2  LYS   7           HZ2      LYS   7  54.914  -1.718  -0.448
   54    HZ3  LYS   7           HZ3      LYS   7  55.708  -1.068  -1.802
   55    H    LYS   8           HN       LYS   8  47.304  -0.141  -4.515
   56    HA   LYS   8           HA       LYS   8  45.645   0.138  -2.917
   57    HB2  LYS   8           HB2      LYS   8  46.371  -2.736  -2.227
   58    HB3  LYS   8           HB1      LYS   8  44.863  -1.901  -1.784
   59    HG2  LYS   8           HG2      LYS   8  44.303  -1.596  -4.160
   60    HG3  LYS   8           HG1      LYS   8  45.839  -2.359  -4.638
   61    HD2  LYS   8           HD2      LYS   8  45.140  -4.453  -3.488
   62    HD3  LYS   8           HD1      LYS   8  43.588  -3.689  -3.064
   63    HE2  LYS   8           HE2      LYS   8  43.154  -3.319  -5.509
   64    HE3  LYS   8           HE1      LYS   8  44.647  -4.218  -5.875
   65    HZ1  LYS   8           HZ1      LYS   8  43.549  -5.998  -4.349
   66    HZ2  LYS   8           HZ2      LYS   8  43.069  -5.863  -5.973
   67    HZ3  LYS   8           HZ3      LYS   8  42.108  -5.195  -4.741
   68    H    ALA   9           HN       ALA   9  48.349   0.933  -2.207
   69    HA   ALA   9           HA       ALA   9  47.913   1.379   0.614
   70    HB1  ALA   9           HB1      ALA   9  48.683  -0.986   0.706
   71    HB2  ALA   9           HB2      ALA   9  49.799   0.137   1.520
   72    HB3  ALA   9           HB3      ALA   9  50.194  -0.497  -0.096
   73    H    ALA  10           HN       ALA  10  48.286   3.519   0.200
   74    HA   ALA  10           HA       ALA  10  51.066   4.337   0.082
   75    HB1  ALA  10           HB1      ALA  10  49.341   4.780  -2.376
   76    HB2  ALA  10           HB2      ALA  10  50.851   3.843  -2.280
   77    HB3  ALA  10           HB3      ALA  10  50.884   5.610  -2.060
   78    H    HIS  11           HN       HIS  11  47.833   4.746   0.764
   79    HA   HIS  11           HA       HIS  11  47.601   7.622   0.644
   80    HB2  HIS  11           HB2      HIS  11  46.170   5.667   2.487
   81    HB3  HIS  11           HB1      HIS  11  45.647   7.318   2.077
   82    HD1  HIS  11           HD1      HIS  11  46.730   4.218   0.052
   83    HD2  HIS  11           HD2      HIS  11  43.719   7.152   0.123
   84    HE1  HIS  11           HE1      HIS  11  45.190   3.777  -1.939
   85    H    ALA  12           HN       ALA  12  47.571   5.693   3.659
   86    HA   ALA  12           HA       ALA  12  48.400   6.234   5.760
   87    HB1  ALA  12           HB1      ALA  12  50.721   7.056   3.988
   88    HB2  ALA  12           HB2      ALA  12  50.472   5.488   4.794
   89    HB3  ALA  12           HB3      ALA  12  50.817   6.944   5.760
   90    H    GLY  13           HN       GLY  13  46.594   8.000   5.441
   91    HA2  GLY  13           HA1      GLY  13  47.438  10.304   6.831
   92    HA3  GLY  13           HA2      GLY  13  47.437  10.726   5.107
   93    H    LYS  14           HN       LYS  14  45.577  11.246   4.121
   94    HA   LYS  14           HA       LYS  14  42.998  10.291   5.020
   95    HB2  LYS  14           HB2      LYS  14  43.501  11.890   6.870
   96    HB3  LYS  14           HB1      LYS  14  43.652  13.193   5.667
   97    HG2  LYS  14           HG2      LYS  14  41.338  12.914   4.980
   98    HG3  LYS  14           HG1      LYS  14  41.163  11.466   6.001
   99    HD2  LYS  14           HD2      LYS  14  41.676  12.895   8.014
  100    HD3  LYS  14           HD1      LYS  14  41.654  14.322   6.949
  101    HE2  LYS  14           HE2      LYS  14  39.358  12.416   7.550
  102    HE3  LYS  14           HE1      LYS  14  39.456  14.154   7.922
  103    HZ1  LYS  14           HZ1      LYS  14  38.193  14.075   5.997
  104    HZ2  LYS  14           HZ2      LYS  14  39.115  12.832   5.298
  105    HZ3  LYS  14           HZ3      LYS  14  39.745  14.408   5.398
  106    H    HIS  15           HN       HIS  15  41.750  10.283   3.272
  107    HA   HIS  15           HA       HIS  15  41.025  10.758   1.120
  108    HB2  HIS  15           HB2      HIS  15  41.682  13.569   2.085
  109    HB3  HIS  15           HB1      HIS  15  40.815  13.213   0.571
  110    HD1  HIS  15           HD1      HIS  15  39.346  10.625   2.000
  111    HD2  HIS  15           HD2      HIS  15  39.304  14.626   3.292
  112    HE1  HIS  15           HE1      HIS  15  37.246  10.946   3.419
  113    H    ALA  16           HN       ALA  16  44.023  10.419   1.774
  114    HA   ALA  16           HA       ALA  16  46.031  10.497   0.614
  115    HB1  ALA  16           HB1      ALA  16  45.836  10.147  -1.840
  116    HB2  ALA  16           HB2      ALA  16  44.092  10.487  -1.724
  117    HB3  ALA  16           HB3      ALA  16  44.779   9.065  -0.903
  118    H    GLY  17           HN       GLY  17  45.342  12.980   1.578
  119    HA2  GLY  17           HA1      GLY  17  45.441  14.979  -0.547
  120    HA3  GLY  17           HA2      GLY  17  45.585  15.265   1.199
  121    H    LYS  18           HN       LYS  18  47.650  12.834  -0.064
  122    HA   LYS  18           HA       LYS  18  49.914  12.772  -0.515
  123    HB2  LYS  18           HB2      LYS  18  49.266  14.804  -2.033
  124    HB3  LYS  18           HB1      LYS  18  50.018  15.797  -0.766
  125    HG2  LYS  18           HG2      LYS  18  52.078  14.311  -0.967
  126    HG3  LYS  18           HG1      LYS  18  51.322  13.586  -2.406
  127    HD2  LYS  18           HD2      LYS  18  51.095  15.944  -3.345
  128    HD3  LYS  18           HD1      LYS  18  52.115  16.497  -1.994
  129    HE2  LYS  18           HE2      LYS  18  53.934  15.021  -2.707
  130    HE3  LYS  18           HE1      LYS  18  52.915  14.342  -3.999
  131    HZ1  LYS  18           HZ1      LYS  18  54.368  16.831  -3.915
  132    HZ2  LYS  18           HZ2      LYS  18  52.759  17.012  -4.431
  133    HZ3  LYS  18           HZ3      LYS  18  53.802  15.948  -5.249
  134    H    ALA  19           HN       ALA  19  48.520  14.681   1.954
  135    HA   ALA  19           HA       ALA  19  50.568  13.980   3.840
  136    HB1  ALA  19           HB1      ALA  19  50.561  16.857   2.861
  137    HB2  ALA  19           HB2      ALA  19  51.901  15.692   2.742
  138    HB3  ALA  19           HB3      ALA  19  51.380  16.290   4.335
  139    H    ALA  20           HN       ALA  20  47.752  13.780   3.593
  140    HA   ALA  20           HA       ALA  20  45.831  14.142   4.833
  141    HB1  ALA  20           HB1      ALA  20  46.088  14.572   7.195
  142    HB2  ALA  20           HB2      ALA  20  47.718  15.240   6.944
  143    HB3  ALA  20           HB3      ALA  20  47.414  13.506   6.672
  144    H    LEU  21           HN       LEU  21  45.098  15.734   3.349
  145    HA   LEU  21           HA       LEU  21  44.250  17.818   2.815
  146    HB2  LEU  21           HB2      LEU  21  44.690  18.617   5.710
  147    HB3  LEU  21           HB1      LEU  21  43.443  19.193   4.580
  148    HG   LEU  21           HG       LEU  21  43.685  16.390   5.761
  149   HD11  LEU  21          HD11      LEU  21  41.603  16.937   6.889
  150   HD12  LEU  21          HD12      LEU  21  41.490  18.489   6.024
  151   HD13  LEU  21          HD13      LEU  21  42.775  18.233   7.229
  152   HD21  LEU  21          HD21      LEU  21  42.859  16.066   3.543
  153   HD22  LEU  21          HD22      LEU  21  41.881  17.553   3.600
  154   HD23  LEU  21          HD23      LEU  21  41.401  16.131   4.557
  155    H    THR  22           HN       THR  22  46.449  18.897   5.437
  156    HA   THR  22           HA       THR  22  48.485  19.808   3.573
  157    HB   THR  22           HB       THR  22  47.002  21.607   3.009
  158    HG1  THR  22           HG1      THR  22  48.041  23.302   4.594
  159   HG21  THR  22          HG21      THR  22  46.496  21.833   6.006
  160   HG22  THR  22          HG22      THR  22  45.336  21.284   4.772
  161   HG23  THR  22          HG23      THR  22  45.887  22.977   4.786
  162    H    HIS  23           HN       HIS  23  48.907  18.194   5.604
  163    HA   HIS  23           HA       HIS  23  49.385  19.568   8.126
  164    HB2  HIS  23           HB2      HIS  23  48.960  17.085   7.840
  165    HB3  HIS  23           HB1      HIS  23  50.598  16.952   7.159
  166    HD1  HIS  23           HD1      HIS  23  52.034  15.956   8.950
  167    HD2  HIS  23           HD2      HIS  23  49.399  18.856  10.472
  168    HE1  HIS  23           HE1      HIS  23  52.610  16.288  11.417
  169    H    TYR  24           HN       TYR  24  50.727  21.311   7.921
  170    HA   TYR  24           HA       TYR  24  52.712  22.466   7.588
  171    HB2  TYR  24           HB2      TYR  24  53.366  20.720   9.318
  172    HB3  TYR  24           HB1      TYR  24  54.045  19.761   7.982
  173    HD1  TYR  24           HD1      TYR  24  56.170  20.326   7.009
  174    HD2  TYR  24           HD2      TYR  24  54.246  23.060   9.741
  175    HE1  TYR  24           HE1      TYR  24  58.245  21.702   7.095
  176    HE2  TYR  24           HE2      TYR  24  56.322  24.435   9.826
  177    HH   TYR  24           HH       TYR  24  59.182  23.601   7.871
  178    H    LEU  25           HN       LEU  25  54.953  22.350   6.368
  179    HA   LEU  25           HA       LEU  25  54.279  22.036   3.569
  180    HB2  LEU  25           HB2      LEU  25  57.090  22.310   4.685
  181    HB3  LEU  25           HB1      LEU  25  56.454  22.884   3.125
  182    HG   LEU  25           HG       LEU  25  55.711  23.936   5.892
  183   HD11  LEU  25          HD11      LEU  25  57.931  24.647   5.005
  184   HD12  LEU  25          HD12      LEU  25  56.782  26.004   5.095
  185   HD13  LEU  25          HD13      LEU  25  57.133  25.237   3.527
  186   HD21  LEU  25          HD21      LEU  25  53.715  24.084   4.579
  187   HD22  LEU  25          HD22      LEU  25  54.618  24.518   3.108
  188   HD23  LEU  25          HD23      LEU  25  54.471  25.687   4.441
  Start of MODEL   45
    1    H1   GLY   1           HT1      GLY   1  55.341   3.186   1.578
    2    H2   GLY   1           HT2      GLY   1  56.246   2.050   0.696
    3    H3   GLY   1           HT3      GLY   1  55.187   3.109  -0.107
    4    HA2  GLY   1           HA1      GLY   1  57.551   3.941   1.434
    5    HA3  GLY   1           HA2      GLY   1  57.524   3.712  -0.326
    6    H    TRP   2           HN       TRP   2  58.035   5.871  -0.735
    7    HA   TRP   2           HA       TRP   2  56.449   8.037   0.365
    8    HB2  TRP   2           HB2      TRP   2  58.278   7.942  -2.068
    9    HB3  TRP   2           HB1      TRP   2  57.634   9.421  -1.315
   10    HD1  TRP   2           HD1      TRP   2  58.158   9.417   1.528
   11    HE1  TRP   2           HE1      TRP   2  60.455   9.005   2.676
   12    HE3  TRP   2           HE3      TRP   2  60.520   6.922  -2.267
   13    HZ2  TRP   2           HZ2      TRP   2  62.963   7.754   2.005
   14    HZ3  TRP   2           HZ3      TRP   2  62.863   6.128  -1.992
   15    HH2  TRP   2           HH2      TRP   2  64.085   6.541   0.138
   16    H    GLY   3           HN       GLY   3  56.792   8.403  -3.013
   17    HA2  GLY   3           HA1      GLY   3  53.956   8.762  -3.365
   18    HA3  GLY   3           HA2      GLY   3  55.188   8.761  -4.643
   19    H    SER   4           HN       SER   4  56.239   6.301  -4.643
   20    HA   SER   4           HA       SER   4  55.838   4.160  -5.432
   21    HB2  SER   4           HB2      SER   4  53.271   4.225  -3.812
   22    HB3  SER   4           HB1      SER   4  54.239   2.808  -4.274
   23    HG   SER   4           HG       SER   4  55.115   4.957  -2.616
   24    H    PHE   5           HN       PHE   5  54.632   2.928  -6.965
   25    HA   PHE   5           HA       PHE   5  53.331   4.531  -8.940
   26    HB2  PHE   5           HB2      PHE   5  53.256   1.518  -8.505
   27    HB3  PHE   5           HB1      PHE   5  52.735   2.357  -9.986
   28    HD1  PHE   5           HD1      PHE   5  55.612   1.276  -7.958
   29    HD2  PHE   5           HD2      PHE   5  54.382   3.580 -11.395
   30    HE1  PHE   5           HE1      PHE   5  57.968   1.326  -8.769
   31    HE2  PHE   5           HE2      PHE   5  56.738   3.628 -12.206
   32    HZ   PHE   5           HZ       PHE   5  58.527   2.485 -10.902
   33    H    PHE   6           HN       PHE   6  51.135   4.365  -9.742
   34    HA   PHE   6           HA       PHE   6  49.214   4.605  -7.558
   35    HB2  PHE   6           HB2      PHE   6  48.787   4.577 -10.572
   36    HB3  PHE   6           HB1      PHE   6  47.602   5.096  -9.349
   37    HD1  PHE   6           HD1      PHE   6  48.242   7.028  -7.776
   38    HD2  PHE   6           HD2      PHE   6  50.437   6.104 -11.377
   39    HE1  PHE   6           HE1      PHE   6  49.239   9.311  -7.756
   40    HE2  PHE   6           HE2      PHE   6  51.433   8.387 -11.356
   41    HZ   PHE   6           HZ       PHE   6  50.817   9.999  -9.557
   42    H    LYS   7           HN       LYS   7  50.416   2.003  -7.664
   43    HA   LYS   7           HA       LYS   7  48.597   0.147  -8.959
   44    HB2  LYS   7           HB2      LYS   7  50.971  -0.380  -8.343
   45    HB3  LYS   7           HB1      LYS   7  50.491  -0.353  -6.629
   46    HG2  LYS   7           HG2      LYS   7  48.892  -2.172  -7.005
   47    HG3  LYS   7           HG1      LYS   7  49.243  -2.156  -8.750
   48    HD2  LYS   7           HD2      LYS   7  51.654  -2.672  -8.195
   49    HD3  LYS   7           HD1      LYS   7  51.164  -2.872  -6.496
   50    HE2  LYS   7           HE2      LYS   7  51.170  -5.069  -7.518
   51    HE3  LYS   7           HE1      LYS   7  49.473  -4.592  -7.274
   52    HZ1  LYS   7           HZ1      LYS   7  50.347  -5.504  -9.576
   53    HZ2  LYS   7           HZ2      LYS   7  50.747  -3.869  -9.813
   54    HZ3  LYS   7           HZ3      LYS   7  49.139  -4.317  -9.491
   55    H    LYS   8           HN       LYS   8  46.529  -0.035  -8.410
   56    HA   LYS   8           HA       LYS   8  44.627  -0.186  -7.095
   57    HB2  LYS   8           HB2      LYS   8  46.644  -1.367  -5.146
   58    HB3  LYS   8           HB1      LYS   8  44.876  -1.456  -4.956
   59    HG2  LYS   8           HG2      LYS   8  44.660  -2.681  -7.055
   60    HG3  LYS   8           HG1      LYS   8  46.400  -2.490  -7.386
   61    HD2  LYS   8           HD2      LYS   8  46.982  -3.856  -5.465
   62    HD3  LYS   8           HD1      LYS   8  45.285  -3.914  -4.933
   63    HE2  LYS   8           HE2      LYS   8  44.686  -5.085  -7.056
   64    HE3  LYS   8           HE1      LYS   8  46.405  -5.088  -7.516
   65    HZ1  LYS   8           HZ1      LYS   8  45.273  -7.080  -6.200
   66    HZ2  LYS   8           HZ2      LYS   8  45.735  -6.130  -4.869
   67    HZ3  LYS   8           HZ3      LYS   8  46.902  -6.660  -5.985
   68    H    ALA   9           HN       ALA   9  46.777   0.260  -4.304
   69    HA   ALA   9           HA       ALA   9  46.118   3.107  -4.042
   70    HB1  ALA   9           HB1      ALA   9  44.013   2.162  -3.265
   71    HB2  ALA   9           HB2      ALA   9  44.915   2.831  -1.883
   72    HB3  ALA   9           HB3      ALA   9  44.878   1.072  -2.157
   73    H    ALA  10           HN       ALA  10  46.890   3.933  -1.843
   74    HA   ALA  10           HA       ALA  10  48.778   2.351  -0.347
   75    HB1  ALA  10           HB1      ALA  10  50.837   3.607  -1.107
   76    HB2  ALA  10           HB2      ALA  10  49.885   4.182  -2.497
   77    HB3  ALA  10           HB3      ALA  10  50.190   2.442  -2.285
   78    H    HIS  11           HN       HIS  11  49.732   3.518   1.384
   79    HA   HIS  11           HA       HIS  11  48.124   5.824   2.188
   80    HB2  HIS  11           HB2      HIS  11  49.455   5.732   4.252
   81    HB3  HIS  11           HB1      HIS  11  48.882   4.107   3.804
   82    HD1  HIS  11           HD1      HIS  11  51.323   4.221   5.600
   83    HD2  HIS  11           HD2      HIS  11  51.632   4.424   1.412
   84    HE1  HIS  11           HE1      HIS  11  53.667   3.426   4.969
   85    H    ALA  12           HN       ALA  12  49.923   6.055  -0.219
   86    HA   ALA  12           HA       ALA  12  52.191   7.663   0.408
   87    HB1  ALA  12           HB1      ALA  12  51.678   6.640  -1.817
   88    HB2  ALA  12           HB2      ALA  12  52.111   8.365  -1.908
   89    HB3  ALA  12           HB3      ALA  12  50.407   7.865  -2.040
   90    H    GLY  13           HN       GLY  13  48.752   8.384   0.223
   91    HA2  GLY  13           HA1      GLY  13  48.845  10.688   1.783
   92    HA3  GLY  13           HA2      GLY  13  49.078  11.264   0.122
   93    H    LYS  14           HN       LYS  14  46.876   9.866   2.446
   94    HA   LYS  14           HA       LYS  14  44.575  10.896   1.052
   95    HB2  LYS  14           HB2      LYS  14  45.156   8.864  -0.386
   96    HB3  LYS  14           HB1      LYS  14  44.761   7.858   1.025
   97    HG2  LYS  14           HG2      LYS  14  42.502   9.119   1.085
   98    HG3  LYS  14           HG1      LYS  14  42.922   9.713  -0.538
   99    HD2  LYS  14           HD2      LYS  14  42.674   6.794   0.317
  100    HD3  LYS  14           HD1      LYS  14  41.545   7.689  -0.726
  101    HE2  LYS  14           HE2      LYS  14  44.397   6.832  -1.327
  102    HE3  LYS  14           HE1      LYS  14  42.914   6.477  -2.243
  103    HZ1  LYS  14           HZ1      LYS  14  44.365   9.056  -2.027
  104    HZ2  LYS  14           HZ2      LYS  14  42.758   8.971  -2.574
  105    HZ3  LYS  14           HZ3      LYS  14  43.993   8.170  -3.424
  106    H    HIS  15           HN       HIS  15  45.033   7.814   2.826
  107    HA   HIS  15           HA       HIS  15  43.001   8.597   4.784
  108    HB2  HIS  15           HB2      HIS  15  43.362   6.241   3.992
  109    HB3  HIS  15           HB1      HIS  15  44.929   6.242   4.836
  110    HD1  HIS  15           HD1      HIS  15  41.831   7.951   6.224
  111    HD2  HIS  15           HD2      HIS  15  44.102   4.472   6.885
  112    HE1  HIS  15           HE1      HIS  15  41.017   6.915   8.414
  113    H    ALA  16           HN       ALA  16  46.343   9.130   4.386
  114    HA   ALA  16           HA       ALA  16  47.164   9.072   7.151
  115    HB1  ALA  16           HB1      ALA  16  48.245  10.527   4.717
  116    HB2  ALA  16           HB2      ALA  16  48.827   8.996   5.417
  117    HB3  ALA  16           HB3      ALA  16  49.045  10.523   6.307
  118    H    GLY  17           HN       GLY  17  46.706  11.936   5.013
  119    HA2  GLY  17           HA1      GLY  17  45.810  14.015   5.505
  120    HA3  GLY  17           HA2      GLY  17  45.000  13.284   6.904
  121    H    LYS  18           HN       LYS  18  48.030  12.398   7.487
  122    HA   LYS  18           HA       LYS  18  48.439  14.364   9.540
  123    HB2  LYS  18           HB2      LYS  18  50.297  12.320   8.262
  124    HB3  LYS  18           HB1      LYS  18  50.750  13.326   9.660
  125    HG2  LYS  18           HG2      LYS  18  49.032  12.371  11.033
  126    HG3  LYS  18           HG1      LYS  18  48.241  11.603   9.636
  127    HD2  LYS  18           HD2      LYS  18  49.528   9.934  10.923
  128    HD3  LYS  18           HD1      LYS  18  50.237  10.158   9.307
  129    HE2  LYS  18           HE2      LYS  18  52.060  11.424  10.152
  130    HE3  LYS  18           HE1      LYS  18  51.239  11.743  11.701
  131    HZ1  LYS  18           HZ1      LYS  18  51.559   9.549  12.390
  132    HZ2  LYS  18           HZ2      LYS  18  53.038   9.964  11.665
  133    HZ3  LYS  18           HZ3      LYS  18  51.922   8.992  10.831
  134    H    ALA  19           HN       ALA  19  48.990  14.407   6.171
  135    HA   ALA  19           HA       ALA  19  50.038  17.094   6.253
  136    HB1  ALA  19           HB1      ALA  19  51.988  14.888   5.496
  137    HB2  ALA  19           HB2      ALA  19  52.109  15.962   6.911
  138    HB3  ALA  19           HB3      ALA  19  52.260  16.632   5.270
  139    H    ALA  20           HN       ALA  20  48.654  14.412   4.829
  140    HA   ALA  20           HA       ALA  20  49.179  15.068   2.029
  141    HB1  ALA  20           HB1      ALA  20  46.976  13.365   3.241
  142    HB2  ALA  20           HB2      ALA  20  48.612  12.785   2.851
  143    HB3  ALA  20           HB3      ALA  20  47.535  13.350   1.551
  144    H    LEU  21           HN       LEU  21  45.975  14.836   3.617
  145    HA   LEU  21           HA       LEU  21  44.666  16.574   1.823
  146    HB2  LEU  21           HB2      LEU  21  44.157  15.772   4.701
  147    HB3  LEU  21           HB1      LEU  21  43.111  16.983   3.926
  148    HG   LEU  21           HG       LEU  21  42.536  15.411   2.141
  149   HD11  LEU  21          HD11      LEU  21  43.359  13.002   2.376
  150   HD12  LEU  21          HD12      LEU  21  44.554  13.615   3.543
  151   HD13  LEU  21          HD13      LEU  21  44.586  14.180   1.856
  152   HD21  LEU  21          HD21      LEU  21  41.342  13.712   3.494
  153   HD22  LEU  21          HD22      LEU  21  41.235  15.318   4.252
  154   HD23  LEU  21          HD23      LEU  21  42.366  14.104   4.895
  155    H    THR  22           HN       THR  22  46.625  17.304   4.680
  156    HA   THR  22           HA       THR  22  45.888  20.014   5.055
  157    HB   THR  22           HB       THR  22  47.922  20.281   6.259
  158    HG1  THR  22           HG1      THR  22  49.558  19.761   5.014
  159   HG21  THR  22          HG21      THR  22  46.359  18.424   7.060
  160   HG22  THR  22          HG22      THR  22  48.041  18.314   7.633
  161   HG23  THR  22          HG23      THR  22  47.482  17.271   6.303
  162    H    HIS  23           HN       HIS  23  48.671  18.731   3.165
  163    HA   HIS  23           HA       HIS  23  49.842  19.681   1.404
  164    HB2  HIS  23           HB2      HIS  23  47.624  19.367   0.304
  165    HB3  HIS  23           HB1      HIS  23  47.177  21.019   0.794
  166    HD1  HIS  23           HD1      HIS  23  50.691  20.125  -0.328
  167    HD2  HIS  23           HD2      HIS  23  47.286  22.092  -1.825
  168    HE1  HIS  23           HE1      HIS  23  51.375  21.287  -2.498
  169    H    TYR  24           HN       TYR  24  51.044  20.892   3.077
  170    HA   TYR  24           HA       TYR  24  51.202  23.684   2.342
  171    HB2  TYR  24           HB2      TYR  24  49.177  23.741   3.827
  172    HB3  TYR  24           HB1      TYR  24  50.189  23.126   5.156
  173    HD1  TYR  24           HD1      TYR  24  51.980  24.505   6.131
  174    HD2  TYR  24           HD2      TYR  24  49.471  26.012   2.961
  175    HE1  TYR  24           HE1      TYR  24  52.778  26.819   6.599
  176    HE2  TYR  24           HE2      TYR  24  50.268  28.326   3.428
  177    HH   TYR  24           HH       TYR  24  52.216  29.026   6.288
  178    H    LEU  25           HN       LEU  25  51.808  21.321   4.970
  179    HA   LEU  25           HA       LEU  25  54.202  22.502   5.949
  180    HB2  LEU  25           HB2      LEU  25  53.599  19.525   5.783
  181    HB3  LEU  25           HB1      LEU  25  54.677  20.339   6.937
  182    HG   LEU  25           HG       LEU  25  51.677  20.868   6.725
  183   HD11  LEU  25          HD11      LEU  25  52.211  18.534   7.449
  184   HD12  LEU  25          HD12      LEU  25  51.462  19.496   8.746
  185   HD13  LEU  25          HD13      LEU  25  53.216  19.197   8.760
  186   HD21  LEU  25          HD21      LEU  25  53.883  21.775   8.620
  187   HD22  LEU  25          HD22      LEU  25  52.171  21.791   9.107
  188   HD23  LEU  25          HD23      LEU  25  52.710  22.772   7.728
  Start of MODEL   46
    1    H1   GLY   1           HT1      GLY   1  56.185  -6.776  -5.546
    2    H2   GLY   1           HT2      GLY   1  56.957  -6.394  -4.082
    3    H3   GLY   1           HT3      GLY   1  57.752  -7.343  -5.245
    4    HA2  GLY   1           HA1      GLY   1  57.491  -4.511  -5.024
    5    HA3  GLY   1           HA2      GLY   1  58.716  -5.489  -5.857
    6    H    TRP   2           HN       TRP   2  55.822  -3.631  -6.138
    7    HA   TRP   2           HA       TRP   2  56.095  -3.533  -9.027
    8    HB2  TRP   2           HB2      TRP   2  54.954  -5.756  -8.731
    9    HB3  TRP   2           HB1      TRP   2  53.597  -4.902  -7.957
   10    HD1  TRP   2           HD1      TRP   2  51.900  -3.697  -9.484
   11    HE1  TRP   2           HE1      TRP   2  51.604  -3.406 -12.050
   12    HE3  TRP   2           HE3      TRP   2  56.428  -5.521 -11.029
   13    HZ2  TRP   2           HZ2      TRP   2  53.147  -3.911 -14.429
   14    HZ3  TRP   2           HZ3      TRP   2  56.993  -5.608 -13.452
   15    HH2  TRP   2           HH2      TRP   2  55.359  -4.806 -15.152
   16    H    GLY   3           HN       GLY   3  54.545  -2.067 -10.021
   17    HA2  GLY   3           HA1      GLY   3  53.278  -0.131 -10.023
   18    HA3  GLY   3           HA2      GLY   3  52.579  -0.664  -8.481
   19    H    SER   4           HN       SER   4  53.337   0.131  -6.553
   20    HA   SER   4           HA       SER   4  54.241   1.796  -5.210
   21    HB2  SER   4           HB2      SER   4  56.716   1.471  -6.939
   22    HB3  SER   4           HB1      SER   4  56.634   1.982  -5.238
   23    HG   SER   4           HG       SER   4  56.054  -0.063  -4.664
   24    H    PHE   5           HN       PHE   5  52.667   3.246  -6.373
   25    HA   PHE   5           HA       PHE   5  53.458   4.951  -8.501
   26    HB2  PHE   5           HB2      PHE   5  51.589   5.511  -6.164
   27    HB3  PHE   5           HB1      PHE   5  51.688   6.479  -7.654
   28    HD1  PHE   5           HD1      PHE   5  50.936   5.562  -9.815
   29    HD2  PHE   5           HD2      PHE   5  50.614   3.267  -6.175
   30    HE1  PHE   5           HE1      PHE   5  49.392   3.973 -10.954
   31    HE2  PHE   5           HE2      PHE   5  49.069   1.678  -7.313
   32    HZ   PHE   5           HZ       PHE   5  48.521   1.988  -9.724
   33    H    PHE   6           HN       PHE   6  52.983   6.239  -5.209
   34    HA   PHE   6           HA       PHE   6  55.738   7.300  -5.112
   35    HB2  PHE   6           HB2      PHE   6  53.399   9.246  -5.169
   36    HB3  PHE   6           HB1      PHE   6  55.135   9.633  -5.085
   37    HD1  PHE   6           HD1      PHE   6  56.635   9.084  -7.042
   38    HD2  PHE   6           HD2      PHE   6  52.336   8.770  -7.274
   39    HE1  PHE   6           HE1      PHE   6  56.770   9.071  -9.530
   40    HE2  PHE   6           HE2      PHE   6  52.472   8.756  -9.762
   41    HZ   PHE   6           HZ       PHE   6  54.693   8.843 -10.888
   42    H    LYS   7           HN       LYS   7  56.400   7.668  -3.061
   43    HA   LYS   7           HA       LYS   7  54.725   6.701  -0.913
   44    HB2  LYS   7           HB2      LYS   7  57.320   8.291  -0.826
   45    HB3  LYS   7           HB1      LYS   7  56.586   7.426   0.546
   46    HG2  LYS   7           HG2      LYS   7  56.826   5.290  -0.593
   47    HG3  LYS   7           HG1      LYS   7  57.379   6.096  -2.080
   48    HD2  LYS   7           HD2      LYS   7  59.354   6.985  -0.847
   49    HD3  LYS   7           HD1      LYS   7  58.815   6.117   0.612
   50    HE2  LYS   7           HE2      LYS   7  58.874   3.976  -0.776
   51    HE3  LYS   7           HE1      LYS   7  59.691   4.920  -2.046
   52    HZ1  LYS   7           HZ1      LYS   7  60.737   5.086   0.689
   53    HZ2  LYS   7           HZ2      LYS   7  61.560   5.155  -0.795
   54    HZ3  LYS   7           HZ3      LYS   7  61.033   3.661  -0.181
   55    H    LYS   8           HN       LYS   8  56.359   9.883  -0.985
   56    HA   LYS   8           HA       LYS   8  54.342  11.059   0.726
   57    HB2  LYS   8           HB2      LYS   8  56.440  12.413  -1.017
   58    HB3  LYS   8           HB1      LYS   8  55.553  13.155   0.336
   59    HG2  LYS   8           HG2      LYS   8  56.511  11.435   1.873
   60    HG3  LYS   8           HG1      LYS   8  57.453  10.775   0.514
   61    HD2  LYS   8           HD2      LYS   8  58.523  13.019   0.212
   62    HD3  LYS   8           HD1      LYS   8  57.646  13.599   1.650
   63    HE2  LYS   8           HE2      LYS   8  58.737  11.855   3.026
   64    HE3  LYS   8           HE1      LYS   8  59.608  11.264   1.592
   65    HZ1  LYS   8           HZ1      LYS   8  59.836  14.113   2.157
   66    HZ2  LYS   8           HZ2      LYS   8  61.011  13.011   1.617
   67    HZ3  LYS   8           HZ3      LYS   8  60.599  13.077   3.264
   68    H    ALA   9           HN       ALA   9  53.478  13.354  -0.049
   69    HA   ALA   9           HA       ALA   9  51.768  14.328  -1.285
   70    HB1  ALA   9           HB1      ALA   9  53.794  14.633  -2.765
   71    HB2  ALA   9           HB2      ALA   9  52.230  14.658  -3.613
   72    HB3  ALA   9           HB3      ALA   9  53.255  13.205  -3.678
   73    H    ALA  10           HN       ALA  10  50.354  13.827  -3.482
   74    HA   ALA  10           HA       ALA  10  48.564  12.567  -4.232
   75    HB1  ALA  10           HB1      ALA  10  50.468  10.263  -3.679
   76    HB2  ALA  10           HB2      ALA  10  50.357  11.198  -5.191
   77    HB3  ALA  10           HB3      ALA  10  48.993  10.179  -4.670
   78    H    HIS  11           HN       HIS  11  49.798  10.092  -1.977
   79    HA   HIS  11           HA       HIS  11  47.542  10.649  -0.098
   80    HB2  HIS  11           HB2      HIS  11  46.907   8.229  -0.124
   81    HB3  HIS  11           HB1      HIS  11  46.564   9.055  -1.663
   82    HD1  HIS  11           HD1      HIS  11  49.171   9.040  -3.135
   83    HD2  HIS  11           HD2      HIS  11  47.855   5.743  -0.878
   84    HE1  HIS  11           HE1      HIS  11  50.416   6.981  -3.996
   85    H    ALA  12           HN       ALA  12  48.787  11.083   1.636
   86    HA   ALA  12           HA       ALA  12  51.263   9.748   2.217
   87    HB1  ALA  12           HB1      ALA  12  51.111  10.833   4.381
   88    HB2  ALA  12           HB2      ALA  12  49.370  11.125   4.153
   89    HB3  ALA  12           HB3      ALA  12  50.556  11.966   3.126
   90    H    GLY  13           HN       GLY  13  48.239   8.454   2.096
   91    HA2  GLY  13           HA1      GLY  13  49.017   6.048   3.442
   92    HA3  GLY  13           HA2      GLY  13  47.952   6.994   4.501
   93    H    LYS  14           HN       LYS  14  45.990   7.967   3.175
   94    HA   LYS  14           HA       LYS  14  44.983   6.325   1.012
   95    HB2  LYS  14           HB2      LYS  14  43.037   5.386   2.415
   96    HB3  LYS  14           HB1      LYS  14  44.620   4.597   2.610
   97    HG2  LYS  14           HG2      LYS  14  45.059   5.883   4.646
   98    HG3  LYS  14           HG1      LYS  14  43.547   6.797   4.431
   99    HD2  LYS  14           HD2      LYS  14  42.246   4.697   4.640
  100    HD3  LYS  14           HD1      LYS  14  43.759   3.784   4.859
  101    HE2  LYS  14           HE2      LYS  14  42.796   4.233   7.055
  102    HE3  LYS  14           HE1      LYS  14  44.267   5.217   6.866
  103    HZ1  LYS  14           HZ1      LYS  14  43.074   7.057   7.090
  104    HZ2  LYS  14           HZ2      LYS  14  41.712   6.106   7.455
  105    HZ3  LYS  14           HZ3      LYS  14  42.005   6.599   5.855
  106    H    HIS  15           HN       HIS  15  45.124   8.854   0.764
  107    HA   HIS  15           HA       HIS  15  43.946  10.830   0.480
  108    HB2  HIS  15           HB2      HIS  15  41.483   9.071   0.793
  109    HB3  HIS  15           HB1      HIS  15  41.583  10.645  -0.033
  110    HD1  HIS  15           HD1      HIS  15  44.633   9.495  -1.071
  111    HD2  HIS  15           HD2      HIS  15  40.756   8.100  -1.919
  112    HE1  HIS  15           HE1      HIS  15  44.759   8.176  -3.256
  113    H    ALA  16           HN       ALA  16  44.224   9.354   3.310
  114    HA   ALA  16           HA       ALA  16  43.305  11.651   4.814
  115    HB1  ALA  16           HB1      ALA  16  41.109  10.684   4.524
  116    HB2  ALA  16           HB2      ALA  16  41.631  10.404   6.202
  117    HB3  ALA  16           HB3      ALA  16  41.703   9.080   5.016
  118    H    GLY  17           HN       GLY  17  45.773  10.802   4.754
  119    HA2  GLY  17           HA1      GLY  17  46.363   8.678   6.643
  120    HA3  GLY  17           HA2      GLY  17  47.513   9.847   5.964
  121    H    LYS  18           HN       LYS  18  44.795   9.628   8.292
  122    HA   LYS  18           HA       LYS  18  44.514  10.626  10.362
  123    HB2  LYS  18           HB2      LYS  18  47.527  11.008  10.418
  124    HB3  LYS  18           HB1      LYS  18  46.417  10.817  11.798
  125    HG2  LYS  18           HG2      LYS  18  45.833   8.506  10.803
  126    HG3  LYS  18           HG1      LYS  18  47.251   8.722   9.752
  127    HD2  LYS  18           HD2      LYS  18  47.236   8.738  12.803
  128    HD3  LYS  18           HD1      LYS  18  47.894   7.460  11.756
  129    HE2  LYS  18           HE2      LYS  18  48.933  10.282  12.172
  130    HE3  LYS  18           HE1      LYS  18  49.795   8.740  12.379
  131    HZ1  LYS  18           HZ1      LYS  18  48.853   9.905   9.807
  132    HZ2  LYS  18           HZ2      LYS  18  49.575   8.378   9.973
  133    HZ3  LYS  18           HZ3      LYS  18  50.461   9.783  10.331
  134    H    ALA  19           HN       ALA  19  45.411  12.218   7.683
  135    HA   ALA  19           HA       ALA  19  44.555  14.778   8.647
  136    HB1  ALA  19           HB1      ALA  19  47.546  14.399   8.288
  137    HB2  ALA  19           HB2      ALA  19  46.688  14.976   9.736
  138    HB3  ALA  19           HB3      ALA  19  46.746  15.988   8.274
  139    H    ALA  20           HN       ALA  20  44.302  16.291   6.961
  140    HA   ALA  20           HA       ALA  20  43.763  15.239   4.415
  141    HB1  ALA  20           HB1      ALA  20  42.907  17.395   5.130
  142    HB2  ALA  20           HB2      ALA  20  43.842  17.608   3.631
  143    HB3  ALA  20           HB3      ALA  20  44.553  18.066   5.197
  144    H    LEU  21           HN       LEU  21  45.398  13.893   3.661
  145    HA   LEU  21           HA       LEU  21  47.363  13.363   2.553
  146    HB2  LEU  21           HB2      LEU  21  46.976  16.269   1.754
  147    HB3  LEU  21           HB1      LEU  21  48.355  15.320   1.153
  148    HG   LEU  21           HG       LEU  21  46.840  13.657   0.183
  149   HD11  LEU  21          HD11      LEU  21  44.711  15.338   1.564
  150   HD12  LEU  21          HD12      LEU  21  44.988  13.582   1.677
  151   HD13  LEU  21          HD13      LEU  21  44.317  14.281   0.186
  152   HD21  LEU  21          HD21      LEU  21  45.858  16.456  -0.526
  153   HD22  LEU  21          HD22      LEU  21  45.898  15.027  -1.586
  154   HD23  LEU  21          HD23      LEU  21  47.419  15.790  -1.063
  155    H    THR  22           HN       THR  22  48.306  16.732   3.239
  156    HA   THR  22           HA       THR  22  50.009  15.927   5.497
  157    HB   THR  22           HB       THR  22  51.455  17.065   3.067
  158    HG1  THR  22           HG1      THR  22  51.212  15.177   2.208
  159   HG21  THR  22          HG21      THR  22  52.537  15.354   5.330
  160   HG22  THR  22          HG22      THR  22  52.371  17.117   5.499
  161   HG23  THR  22          HG23      THR  22  53.426  16.440   4.238
  162    H    HIS  23           HN       HIS  23  47.872  17.689   5.344
  163    HA   HIS  23           HA       HIS  23  47.279  19.904   5.725
  164    HB2  HIS  23           HB2      HIS  23  48.708  19.369   7.725
  165    HB3  HIS  23           HB1      HIS  23  50.093  20.089   6.869
  166    HD1  HIS  23           HD1      HIS  23  49.949  22.679   6.290
  167    HD2  HIS  23           HD2      HIS  23  46.985  21.233   8.896
  168    HE1  HIS  23           HE1      HIS  23  48.820  24.707   7.358
  169    H    TYR  24           HN       TYR  24  47.029  20.842   3.741
  170    HA   TYR  24           HA       TYR  24  49.006  22.845   3.007
  171    HB2  TYR  24           HB2      TYR  24  50.040  20.760   2.051
  172    HB3  TYR  24           HB1      TYR  24  48.589  20.561   1.039
  173    HD1  TYR  24           HD1      TYR  24  48.033  22.229  -0.717
  174    HD2  TYR  24           HD2      TYR  24  51.670  22.506   1.590
  175    HE1  TYR  24           HE1      TYR  24  48.962  23.840  -2.375
  176    HE2  TYR  24           HE2      TYR  24  52.599  24.116  -0.068
  177    HH   TYR  24           HH       TYR  24  52.113  25.416  -1.841
  178    H    LEU  25           HN       LEU  25  46.089  20.979   2.351
  179    HA   LEU  25           HA       LEU  25  45.060  22.777   0.315
  180    HB2  LEU  25           HB2      LEU  25  43.844  20.624   2.078
  181    HB3  LEU  25           HB1      LEU  25  42.827  21.620   1.011
  182    HG   LEU  25           HG       LEU  25  44.124  20.911  -0.948
  183   HD11  LEU  25          HD11      LEU  25  45.824  19.508   1.152
  184   HD12  LEU  25          HD12      LEU  25  46.346  20.636  -0.125
  185   HD13  LEU  25          HD13      LEU  25  45.823  18.991  -0.551
  186   HD21  LEU  25          HD21      LEU  25  43.452  18.470   0.751
  187   HD22  LEU  25          HD22      LEU  25  43.399  18.600  -1.024
  188   HD23  LEU  25          HD23      LEU  25  42.223  19.493  -0.030
  Start of MODEL   47
    1    H1   GLY   1           HT1      GLY   1  61.677  -5.507 -10.111
    2    H2   GLY   1           HT2      GLY   1  62.673  -6.520 -11.043
    3    H3   GLY   1           HT3      GLY   1  61.029  -6.894 -10.838
    4    HA2  GLY   1           HA1      GLY   1  61.738  -5.893 -13.014
    5    HA3  GLY   1           HA2      GLY   1  60.312  -5.228 -12.194
    6    H    TRP   2           HN       TRP   2  61.242  -3.559 -13.934
    7    HA   TRP   2           HA       TRP   2  63.462  -1.929 -13.053
    8    HB2  TRP   2           HB2      TRP   2  61.149  -1.073 -14.828
    9    HB3  TRP   2           HB1      TRP   2  62.802  -0.413 -14.795
   10    HD1  TRP   2           HD1      TRP   2  60.734  -3.282 -16.141
   11    HE1  TRP   2           HE1      TRP   2  62.165  -4.747 -17.746
   12    HE3  TRP   2           HE3      TRP   2  65.331  -1.223 -15.227
   13    HZ2  TRP   2           HZ2      TRP   2  64.933  -4.967 -18.505
   14    HZ3  TRP   2           HZ3      TRP   2  67.354  -2.077 -16.403
   15    HH2  TRP   2           HH2      TRP   2  67.159  -3.945 -18.039
   16    H    GLY   3           HN       GLY   3  60.023  -0.943 -13.341
   17    HA2  GLY   3           HA1      GLY   3  60.334   1.214 -11.475
   18    HA3  GLY   3           HA2      GLY   3  58.798   0.550 -12.067
   19    H    SER   4           HN       SER   4  58.017  -1.468 -11.052
   20    HA   SER   4           HA       SER   4  57.328  -2.542  -9.114
   21    HB2  SER   4           HB2      SER   4  59.590  -3.537  -9.316
   22    HB3  SER   4           HB1      SER   4  60.254  -2.207  -8.343
   23    HG   SER   4           HG       SER   4  59.367  -4.411  -7.407
   24    H    PHE   5           HN       PHE   5  57.927   0.598  -9.226
   25    HA   PHE   5           HA       PHE   5  58.148   1.268  -6.391
   26    HB2  PHE   5           HB2      PHE   5  58.875   2.751  -8.305
   27    HB3  PHE   5           HB1      PHE   5  57.155   3.018  -8.673
   28    HD1  PHE   5           HD1      PHE   5  59.759   3.375  -6.004
   29    HD2  PHE   5           HD2      PHE   5  55.842   4.558  -7.381
   30    HE1  PHE   5           HE1      PHE   5  59.664   5.124  -4.233
   31    HE2  PHE   5           HE2      PHE   5  55.749   6.308  -5.608
   32    HZ   PHE   5           HZ       PHE   5  57.685   6.630  -4.075
   33    H    PHE   6           HN       PHE   6  56.556   0.471  -5.121
   34    HA   PHE   6           HA       PHE   6  53.813   0.227  -5.903
   35    HB2  PHE   6           HB2      PHE   6  53.420   0.105  -3.392
   36    HB3  PHE   6           HB1      PHE   6  54.621  -1.043  -4.030
   37    HD1  PHE   6           HD1      PHE   6  57.058  -0.625  -3.725
   38    HD2  PHE   6           HD2      PHE   6  54.077   1.930  -1.930
   39    HE1  PHE   6           HE1      PHE   6  58.789   0.330  -2.208
   40    HE2  PHE   6           HE2      PHE   6  55.809   2.883  -0.414
   41    HZ   PHE   6           HZ       PHE   6  58.180   2.146  -0.615
   42    H    LYS   7           HN       LYS   7  52.117   1.590  -5.891
   43    HA   LYS   7           HA       LYS   7  52.651   4.438  -5.619
   44    HB2  LYS   7           HB2      LYS   7  50.139   2.792  -6.086
   45    HB3  LYS   7           HB1      LYS   7  50.085   4.559  -5.907
   46    HG2  LYS   7           HG2      LYS   7  50.209   4.031  -8.276
   47    HG3  LYS   7           HG1      LYS   7  51.757   4.751  -7.780
   48    HD2  LYS   7           HD2      LYS   7  52.887   2.659  -7.820
   49    HD3  LYS   7           HD1      LYS   7  51.366   1.732  -7.800
   50    HE2  LYS   7           HE2      LYS   7  52.246   3.544 -10.089
   51    HE3  LYS   7           HE1      LYS   7  52.483   1.781 -10.056
   52    HZ1  LYS   7           HZ1      LYS   7  49.789   2.707  -9.468
   53    HZ2  LYS   7           HZ2      LYS   7  50.310   1.400 -10.419
   54    HZ3  LYS   7           HZ3      LYS   7  50.314   2.974 -11.058
   55    H    LYS   8           HN       LYS   8  51.922   5.891  -4.077
   56    HA   LYS   8           HA       LYS   8  51.701   4.790  -1.379
   57    HB2  LYS   8           HB2      LYS   8  51.468   7.621  -2.472
   58    HB3  LYS   8           HB1      LYS   8  51.447   7.206  -0.741
   59    HG2  LYS   8           HG2      LYS   8  53.674   6.068  -1.047
   60    HG3  LYS   8           HG1      LYS   8  53.702   6.671  -2.721
   61    HD2  LYS   8           HD2      LYS   8  53.659   8.979  -1.958
   62    HD3  LYS   8           HD1      LYS   8  53.416   8.462  -0.272
   63    HE2  LYS   8           HE2      LYS   8  55.627   7.254  -0.391
   64    HE3  LYS   8           HE1      LYS   8  55.875   7.965  -2.004
   65    HZ1  LYS   8           HZ1      LYS   8  55.245  10.134  -0.596
   66    HZ2  LYS   8           HZ2      LYS   8  56.840   9.586  -0.798
   67    HZ3  LYS   8           HZ3      LYS   8  55.987   9.218   0.623
   68    H    ALA   9           HN       ALA   9  49.534   4.722  -3.757
   69    HA   ALA   9           HA       ALA   9  47.222   4.635  -3.849
   70    HB1  ALA   9           HB1      ALA   9  47.400   4.375  -0.828
   71    HB2  ALA   9           HB2      ALA   9  47.641   3.034  -1.973
   72    HB3  ALA   9           HB3      ALA   9  46.062   3.848  -1.876
   73    H    ALA  10           HN       ALA  10  45.192   5.738  -3.305
   74    HA   ALA  10           HA       ALA  10  45.634   8.589  -3.105
   75    HB1  ALA  10           HB1      ALA  10  43.073   6.963  -2.946
   76    HB2  ALA  10           HB2      ALA  10  43.805   7.630  -4.425
   77    HB3  ALA  10           HB3      ALA  10  43.170   8.725  -3.172
   78    H    HIS  11           HN       HIS  11  45.721   9.881  -1.389
   79    HA   HIS  11           HA       HIS  11  45.503   8.730   1.286
   80    HB2  HIS  11           HB2      HIS  11  45.909  11.576   0.290
   81    HB3  HIS  11           HB1      HIS  11  45.947  11.102   2.005
   82    HD1  HIS  11           HD1      HIS  11  48.149  11.615  -0.789
   83    HD2  HIS  11           HD2      HIS  11  47.957   8.792   2.325
   84    HE1  HIS  11           HE1      HIS  11  50.455  10.529  -0.602
   85    H    ALA  12           HN       ALA  12  44.091   9.417   2.964
   86    HA   ALA  12           HA       ALA  12  41.799  11.101   2.431
   87    HB1  ALA  12           HB1      ALA  12  41.323   8.099   2.479
   88    HB2  ALA  12           HB2      ALA  12  41.098   9.174   1.078
   89    HB3  ALA  12           HB3      ALA  12  40.061   9.353   2.514
   90    H    GLY  13           HN       GLY  13  43.951   9.485   4.340
   91    HA2  GLY  13           HA1      GLY  13  43.006  10.584   6.774
   92    HA3  GLY  13           HA2      GLY  13  42.439   8.904   6.695
   93    H    LYS  14           HN       LYS  14  45.447  10.640   5.773
   94    HA   LYS  14           HA       LYS  14  46.994   9.189   7.789
   95    HB2  LYS  14           HB2      LYS  14  46.570   7.547   5.824
   96    HB3  LYS  14           HB1      LYS  14  47.682   8.572   4.892
   97    HG2  LYS  14           HG2      LYS  14  49.329   8.283   6.879
   98    HG3  LYS  14           HG1      LYS  14  48.253   6.978   7.422
   99    HD2  LYS  14           HD2      LYS  14  49.675   7.151   4.729
  100    HD3  LYS  14           HD1      LYS  14  50.057   6.031   6.059
  101    HE2  LYS  14           HE2      LYS  14  47.598   6.079   4.278
  102    HE3  LYS  14           HE1      LYS  14  48.733   4.740   4.568
  103    HZ1  LYS  14           HZ1      LYS  14  46.950   4.185   5.894
  104    HZ2  LYS  14           HZ2      LYS  14  46.605   5.791   6.322
  105    HZ3  LYS  14           HZ3      LYS  14  47.944   4.997   7.003
  106    H    HIS  15           HN       HIS  15  49.164   9.480   5.394
  107    HA   HIS  15           HA       HIS  15  50.485  11.725   6.421
  108    HB2  HIS  15           HB2      HIS  15  50.484  10.658   3.570
  109    HB3  HIS  15           HB1      HIS  15  51.676  11.804   4.228
  110    HD1  HIS  15           HD1      HIS  15  52.630  10.815   6.774
  111    HD2  HIS  15           HD2      HIS  15  51.580   8.138   3.708
  112    HE1  HIS  15           HE1      HIS  15  53.750   8.578   7.297
  113    H    ALA  16           HN       ALA  16  47.545  11.670   4.708
  114    HA   ALA  16           HA       ALA  16  47.486  14.608   4.641
  115    HB1  ALA  16           HB1      ALA  16  47.428  12.988   2.073
  116    HB2  ALA  16           HB2      ALA  16  48.599  14.250   2.528
  117    HB3  ALA  16           HB3      ALA  16  46.903  14.683   2.201
  118    H    GLY  17           HN       GLY  17  45.891  13.692   6.255
  119    HA2  GLY  17           HA1      GLY  17  43.270  14.095   5.339
  120    HA3  GLY  17           HA2      GLY  17  43.539  12.342   5.274
  121    H    LYS  18           HN       LYS  18  45.480  13.747   7.645
  122    HA   LYS  18           HA       LYS  18  43.540  13.965   9.784
  123    HB2  LYS  18           HB2      LYS  18  43.537  11.466   9.353
  124    HB3  LYS  18           HB1      LYS  18  45.251  11.450   9.835
  125    HG2  LYS  18           HG2      LYS  18  44.679  12.359  12.039
  126    HG3  LYS  18           HG1      LYS  18  42.969  12.501  11.565
  127    HD2  LYS  18           HD2      LYS  18  42.802  10.070  11.296
  128    HD3  LYS  18           HD1      LYS  18  44.536   9.886  11.656
  129    HE2  LYS  18           HE2      LYS  18  44.155  10.877  13.912
  130    HE3  LYS  18           HE1      LYS  18  42.416  10.989  13.552
  131    HZ1  LYS  18           HZ1      LYS  18  43.003   8.978  14.808
  132    HZ2  LYS  18           HZ2      LYS  18  44.004   8.468  13.534
  133    HZ3  LYS  18           HZ3      LYS  18  42.327   8.607  13.297
  134    H    ALA  19           HN       ALA  19  46.816  13.552   8.592
  135    HA   ALA  19           HA       ALA  19  48.099  14.305  11.106
  136    HB1  ALA  19           HB1      ALA  19  49.196  14.369   8.273
  137    HB2  ALA  19           HB2      ALA  19  49.200  12.940   9.334
  138    HB3  ALA  19           HB3      ALA  19  50.136  14.386   9.783
  139    H    ALA  20           HN       ALA  20  46.989  15.955   8.172
  140    HA   ALA  20           HA       ALA  20  46.912  18.505   9.543
  141    HB1  ALA  20           HB1      ALA  20  48.639  19.687   8.381
  142    HB2  ALA  20           HB2      ALA  20  48.989  18.283   7.345
  143    HB3  ALA  20           HB3      ALA  20  49.387  18.232   9.080
  144    H    LEU  21           HN       LEU  21  45.505  16.494   7.682
  145    HA   LEU  21           HA       LEU  21  44.011  16.601   5.911
  146    HB2  LEU  21           HB2      LEU  21  43.967  19.610   6.315
  147    HB3  LEU  21           HB1      LEU  21  42.647  18.540   5.782
  148    HG   LEU  21           HG       LEU  21  43.920  18.614   8.554
  149   HD11  LEU  21          HD11      LEU  21  42.374  20.480   8.091
  150   HD12  LEU  21          HD12      LEU  21  41.638  19.336   9.239
  151   HD13  LEU  21          HD13      LEU  21  41.135  19.332   7.531
  152   HD21  LEU  21          HD21      LEU  21  41.962  16.989   9.044
  153   HD22  LEU  21          HD22      LEU  21  43.350  16.324   8.154
  154   HD23  LEU  21          HD23      LEU  21  41.861  16.762   7.281
  155    H    THR  22           HN       THR  22  43.644  19.012   4.189
  156    HA   THR  22           HA       THR  22  45.685  18.293   2.219
  157    HB   THR  22           HB       THR  22  43.793  20.660   1.935
  158    HG1  THR  22           HG1      THR  22  43.074  18.205   2.593
  159   HG21  THR  22          HG21      THR  22  43.734  19.853  -0.417
  160   HG22  THR  22          HG22      THR  22  44.826  18.518   0.019
  161   HG23  THR  22          HG23      THR  22  45.397  20.200   0.108
  162    H    HIS  23           HN       HIS  23  46.627  19.507   4.736
  163    HA   HIS  23           HA       HIS  23  48.057  21.194   5.457
  164    HB2  HIS  23           HB2      HIS  23  49.445  20.048   3.730
  165    HB3  HIS  23           HB1      HIS  23  48.855  21.212   2.520
  166    HD1  HIS  23           HD1      HIS  23  49.509  23.765   2.870
  167    HD2  HIS  23           HD2      HIS  23  51.504  21.023   5.356
  168    HE1  HIS  23           HE1      HIS  23  51.485  24.993   3.926
  169    H    TYR  24           HN       TYR  24  46.451  22.729   6.000
  170    HA   TYR  24           HA       TYR  24  45.462  24.620   4.025
  171    HB2  TYR  24           HB2      TYR  24  44.221  24.064   6.095
  172    HB3  TYR  24           HB1      TYR  24  45.519  24.804   7.064
  173    HD1  TYR  24           HD1      TYR  24  42.712  25.439   4.738
  174    HD2  TYR  24           HD2      TYR  24  45.880  27.238   7.052
  175    HE1  TYR  24           HE1      TYR  24  41.671  27.680   4.420
  176    HE2  TYR  24           HE2      TYR  24  44.840  29.479   6.733
  177    HH   TYR  24           HH       TYR  24  41.614  29.807   5.445
  178    H    LEU  25           HN       LEU  25  46.256  26.524   3.367
  179    HA   LEU  25           HA       LEU  25  48.998  27.203   4.070
  180    HB2  LEU  25           HB2      LEU  25  47.030  28.985   2.593
  181    HB3  LEU  25           HB1      LEU  25  48.801  28.928   2.441
  182    HG   LEU  25           HG       LEU  25  46.860  26.714   1.631
  183   HD11  LEU  25          HD11      LEU  25  47.497  27.292  -0.654
  184   HD12  LEU  25          HD12      LEU  25  48.648  28.514  -0.062
  185   HD13  LEU  25          HD13      LEU  25  46.900  28.756   0.163
  186   HD21  LEU  25          HD21      LEU  25  49.038  25.806   0.553
  187   HD22  LEU  25          HD22      LEU  25  48.885  25.640   2.317
  188   HD23  LEU  25          HD23      LEU  25  49.901  26.930   1.630
  Start of MODEL   48
    1    H1   GLY   1           HT1      GLY   1  61.845  -4.478 -10.385
    2    H2   GLY   1           HT2      GLY   1  61.693  -3.438 -11.720
    3    H3   GLY   1           HT3      GLY   1  60.307  -3.999 -10.913
    4    HA2  GLY   1           HA1      GLY   1  60.341  -2.332  -9.549
    5    HA3  GLY   1           HA2      GLY   1  61.986  -2.788  -9.057
    6    H    TRP   2           HN       TRP   2  60.351  -0.211  -9.887
    7    HA   TRP   2           HA       TRP   2  62.714   1.123 -11.040
    8    HB2  TRP   2           HB2      TRP   2  60.084   1.044 -12.577
    9    HB3  TRP   2           HB1      TRP   2  61.510   2.026 -12.993
   10    HD1  TRP   2           HD1      TRP   2  60.023  -1.350 -13.466
   11    HE1  TRP   2           HE1      TRP   2  61.672  -2.935 -14.703
   12    HE3  TRP   2           HE3      TRP   2  64.265   1.496 -13.149
   13    HZ2  TRP   2           HZ2      TRP   2  64.458  -2.934 -15.439
   14    HZ3  TRP   2           HZ3      TRP   2  66.408   0.684 -14.124
   15    HH2  TRP   2           HH2      TRP   2  66.507  -1.526 -15.268
   16    H    GLY   3           HN       GLY   3  59.331   1.197  -9.967
   17    HA2  GLY   3           HA1      GLY   3  59.837   3.545  -8.351
   18    HA3  GLY   3           HA2      GLY   3  58.890   3.948  -9.797
   19    H    SER   4           HN       SER   4  58.407   0.736  -8.795
   20    HA   SER   4           HA       SER   4  56.524  -0.304  -7.923
   21    HB2  SER   4           HB2      SER   4  56.697   2.059  -6.015
   22    HB3  SER   4           HB1      SER   4  55.679   0.625  -5.761
   23    HG   SER   4           HG       SER   4  57.650  -0.614  -5.935
   24    H    PHE   5           HN       PHE   5  55.093  -0.136  -9.628
   25    HA   PHE   5           HA       PHE   5  53.633   2.225 -10.301
   26    HB2  PHE   5           HB2      PHE   5  52.050   0.612 -11.418
   27    HB3  PHE   5           HB1      PHE   5  53.759   0.375 -11.855
   28    HD1  PHE   5           HD1      PHE   5  50.874  -0.996  -9.992
   29    HD2  PHE   5           HD2      PHE   5  55.032  -1.551 -11.004
   30    HE1  PHE   5           HE1      PHE   5  50.759  -3.346  -9.172
   31    HE2  PHE   5           HE2      PHE   5  54.918  -3.901 -10.183
   32    HZ   PHE   5           HZ       PHE   5  52.801  -4.774  -9.201
   33    H    PHE   6           HN       PHE   6  52.839  -0.534  -8.165
   34    HA   PHE   6           HA       PHE   6  50.191   0.275  -7.516
   35    HB2  PHE   6           HB2      PHE   6  51.159  -1.936  -6.948
   36    HB3  PHE   6           HB1      PHE   6  52.217  -1.155  -5.748
   37    HD1  PHE   6           HD1      PHE   6  51.312  -0.232  -3.668
   38    HD2  PHE   6           HD2      PHE   6  48.731  -2.089  -6.586
   39    HE1  PHE   6           HE1      PHE   6  49.477  -0.325  -1.984
   40    HE2  PHE   6           HE2      PHE   6  46.895  -2.182  -4.903
   41    HZ   PHE   6           HZ       PHE   6  47.276  -1.322  -2.596
   42    H    LYS   7           HN       LYS   7  53.117   0.659  -5.461
   43    HA   LYS   7           HA       LYS   7  53.632   2.257  -3.869
   44    HB2  LYS   7           HB2      LYS   7  53.669   3.722  -5.870
   45    HB3  LYS   7           HB1      LYS   7  51.939   4.068  -5.635
   46    HG2  LYS   7           HG2      LYS   7  52.332   5.185  -3.556
   47    HG3  LYS   7           HG1      LYS   7  53.998   4.566  -3.450
   48    HD2  LYS   7           HD2      LYS   7  53.937   6.953  -4.159
   49    HD3  LYS   7           HD1      LYS   7  54.648   5.907  -5.409
   50    HE2  LYS   7           HE2      LYS   7  52.695   6.001  -6.763
   51    HE3  LYS   7           HE1      LYS   7  51.687   6.602  -5.423
   52    HZ1  LYS   7           HZ1      LYS   7  52.938   8.660  -5.447
   53    HZ2  LYS   7           HZ2      LYS   7  52.286   8.360  -6.988
   54    HZ3  LYS   7           HZ3      LYS   7  53.937   8.086  -6.693
   55    H    LYS   8           HN       LYS   8  52.833   3.534  -2.077
   56    HA   LYS   8           HA       LYS   8  50.370   2.410  -1.021
   57    HB2  LYS   8           HB2      LYS   8  52.156   4.664  -0.020
   58    HB3  LYS   8           HB1      LYS   8  50.821   3.933   0.904
   59    HG2  LYS   8           HG2      LYS   8  51.910   1.752   0.859
   60    HG3  LYS   8           HG1      LYS   8  53.190   2.372  -0.213
   61    HD2  LYS   8           HD2      LYS   8  53.909   3.957   1.544
   62    HD3  LYS   8           HD1      LYS   8  52.622   3.358   2.617
   63    HE2  LYS   8           HE2      LYS   8  54.958   1.741   1.509
   64    HE3  LYS   8           HE1      LYS   8  54.731   2.257   3.197
   65    HZ1  LYS   8           HZ1      LYS   8  52.413   1.006   2.690
   66    HZ2  LYS   8           HZ2      LYS   8  53.765   0.257   3.398
   67    HZ3  LYS   8           HZ3      LYS   8  53.473   0.092   1.732
   68    H    ALA   9           HN       ALA   9  48.393   3.374  -0.644
   69    HA   ALA   9           HA       ALA   9  47.900   6.171  -1.218
   70    HB1  ALA   9           HB1      ALA   9  48.198   5.347  -3.535
   71    HB2  ALA   9           HB2      ALA   9  46.534   5.901  -3.226
   72    HB3  ALA   9           HB3      ALA   9  46.900   4.160  -3.264
   73    H    ALA  10           HN       ALA  10  47.408   4.135   0.834
   74    HA   ALA  10           HA       ALA  10  44.601   3.398   0.721
   75    HB1  ALA  10           HB1      ALA  10  46.129   2.119   2.089
   76    HB2  ALA  10           HB2      ALA  10  44.938   2.903   3.154
   77    HB3  ALA  10           HB3      ALA  10  46.583   3.568   3.015
   78    H    HIS  11           HN       HIS  11  46.453   5.935   2.457
   79    HA   HIS  11           HA       HIS  11  44.263   7.817   2.232
   80    HB2  HIS  11           HB2      HIS  11  43.717   7.998   4.634
   81    HB3  HIS  11           HB1      HIS  11  43.293   6.391   3.996
   82    HD1  HIS  11           HD1      HIS  11  45.522   4.614   4.212
   83    HD2  HIS  11           HD2      HIS  11  45.188   7.785   6.952
   84    HE1  HIS  11           HE1      HIS  11  46.918   3.999   6.262
   85    H    ALA  12           HN       ALA  12  46.937   6.910   4.462
   86    HA   ALA  12           HA       ALA  12  48.732   8.157   5.227
   87    HB1  ALA  12           HB1      ALA  12  49.868   9.575   3.568
   88    HB2  ALA  12           HB2      ALA  12  48.432   9.502   2.518
   89    HB3  ALA  12           HB3      ALA  12  49.367   8.025   2.855
   90    H    GLY  13           HN       GLY  13  49.546  10.399   5.755
   91    HA2  GLY  13           HA1      GLY  13  49.146  12.433   6.775
   92    HA3  GLY  13           HA2      GLY  13  47.879  12.688   5.559
   93    H    LYS  14           HN       LYS  14  45.746  11.731   5.970
   94    HA   LYS  14           HA       LYS  14  45.130  10.928   8.730
   95    HB2  LYS  14           HB2      LYS  14  45.290  13.394   8.958
   96    HB3  LYS  14           HB1      LYS  14  44.084  13.581   7.661
   97    HG2  LYS  14           HG2      LYS  14  42.383  12.475   8.974
   98    HG3  LYS  14           HG1      LYS  14  43.572  11.989  10.207
   99    HD2  LYS  14           HD2      LYS  14  44.006  14.400  10.702
  100    HD3  LYS  14           HD1      LYS  14  42.742  14.845   9.529
  101    HE2  LYS  14           HE2      LYS  14  41.055  13.633  10.838
  102    HE3  LYS  14           HE1      LYS  14  42.304  13.079  11.978
  103    HZ1  LYS  14           HZ1      LYS  14  41.034  15.061  12.731
  104    HZ2  LYS  14           HZ2      LYS  14  41.695  15.942  11.437
  105    HZ3  LYS  14           HZ3      LYS  14  42.708  15.317  12.649
  106    H    HIS  15           HN       HIS  15  43.649  12.413   5.804
  107    HA   HIS  15           HA       HIS  15  42.198   9.991   5.169
  108    HB2  HIS  15           HB2      HIS  15  40.904  10.794   7.180
  109    HB3  HIS  15           HB1      HIS  15  40.515  12.274   6.272
  110    HD1  HIS  15           HD1      HIS  15  38.485  12.187   4.814
  111    HD2  HIS  15           HD2      HIS  15  40.018   8.354   5.616
  112    HE1  HIS  15           HE1      HIS  15  36.853  10.490   3.819
  113    H    ALA  16           HN       ALA  16  43.916  12.067   3.972
  114    HA   ALA  16           HA       ALA  16  42.411  12.400   1.512
  115    HB1  ALA  16           HB1      ALA  16  41.450  14.238   2.932
  116    HB2  ALA  16           HB2      ALA  16  42.263  14.806   1.453
  117    HB3  ALA  16           HB3      ALA  16  43.081  14.943   3.029
  118    H    GLY  17           HN       GLY  17  45.103  13.694   3.497
  119    HA2  GLY  17           HA1      GLY  17  47.373  13.756   3.004
  120    HA3  GLY  17           HA2      GLY  17  47.057  12.776   1.558
  121    H    LYS  18           HN       LYS  18  45.896  13.983  -0.255
  122    HA   LYS  18           HA       LYS  18  47.539  16.078  -1.175
  123    HB2  LYS  18           HB2      LYS  18  45.942  14.672  -2.541
  124    HB3  LYS  18           HB1      LYS  18  44.611  15.665  -1.901
  125    HG2  LYS  18           HG2      LYS  18  45.496  17.663  -2.919
  126    HG3  LYS  18           HG1      LYS  18  47.023  16.850  -3.338
  127    HD2  LYS  18           HD2      LYS  18  45.795  15.324  -4.856
  128    HD3  LYS  18           HD1      LYS  18  44.269  16.143  -4.443
  129    HE2  LYS  18           HE2      LYS  18  46.692  17.365  -5.831
  130    HE3  LYS  18           HE1      LYS  18  45.082  17.078  -6.535
  131    HZ1  LYS  18           HZ1      LYS  18  45.045  19.307  -5.936
  132    HZ2  LYS  18           HZ2      LYS  18  45.885  19.052  -4.481
  133    HZ3  LYS  18           HZ3      LYS  18  44.266  18.559  -4.628
  134    H    ALA  19           HN       ALA  19  45.231  16.134   1.307
  135    HA   ALA  19           HA       ALA  19  45.467  19.082   1.510
  136    HB1  ALA  19           HB1      ALA  19  42.734  17.761   1.484
  137    HB2  ALA  19           HB2      ALA  19  43.431  18.622   0.090
  138    HB3  ALA  19           HB3      ALA  19  43.103  19.497   1.605
  139    H    ALA  20           HN       ALA  20  46.710  17.253   3.081
  140    HA   ALA  20           HA       ALA  20  45.539  17.861   5.688
  141    HB1  ALA  20           HB1      ALA  20  45.804  14.931   4.942
  142    HB2  ALA  20           HB2      ALA  20  44.258  15.815   4.920
  143    HB3  ALA  20           HB3      ALA  20  45.152  15.621   6.447
  144    H    LEU  21           HN       LEU  21  47.716  15.462   4.120
  145    HA   LEU  21           HA       LEU  21  49.651  15.372   6.162
  146    HB2  LEU  21           HB2      LEU  21  49.715  13.799   4.330
  147    HB3  LEU  21           HB1      LEU  21  49.919  15.104   3.141
  148    HG   LEU  21           HG       LEU  21  52.152  15.599   3.960
  149   HD11  LEU  21          HD11      LEU  21  51.997  15.355   6.327
  150   HD12  LEU  21          HD12      LEU  21  53.094  14.050   5.824
  151   HD13  LEU  21          HD13      LEU  21  51.392  13.686   6.203
  152   HD21  LEU  21          HD21      LEU  21  51.937  13.700   2.392
  153   HD22  LEU  21          HD22      LEU  21  51.714  12.585   3.762
  154   HD23  LEU  21          HD23      LEU  21  53.270  13.421   3.538
  155    H    THR  22           HN       THR  22  50.034  17.191   3.086
  156    HA   THR  22           HA       THR  22  52.036  18.950   4.338
  157    HB   THR  22           HB       THR  22  52.480  18.454   2.052
  158    HG1  THR  22           HG1      THR  22  51.198  20.851   1.537
  159   HG21  THR  22          HG21      THR  22  49.544  19.116   1.612
  160   HG22  THR  22          HG22      THR  22  50.373  17.567   1.324
  161   HG23  THR  22          HG23      THR  22  50.711  18.965   0.276
  162    H    HIS  23           HN       HIS  23  50.117  19.436   5.969
  163    HA   HIS  23           HA       HIS  23  49.385  22.190   5.459
  164    HB2  HIS  23           HB2      HIS  23  47.676  21.078   4.036
  165    HB3  HIS  23           HB1      HIS  23  47.110  20.166   5.457
  166    HD1  HIS  23           HD1      HIS  23  45.623  21.358   7.151
  167    HD2  HIS  23           HD2      HIS  23  47.247  23.965   4.280
  168    HE1  HIS  23           HE1      HIS  23  44.435  23.606   7.405
  169    H    TYR  24           HN       TYR  24  49.577  23.098   7.389
  170    HA   TYR  24           HA       TYR  24  49.638  21.545   9.815
  171    HB2  TYR  24           HB2      TYR  24  49.208  24.546   9.573
  172    HB3  TYR  24           HB1      TYR  24  49.913  23.653  10.942
  173    HD1  TYR  24           HD1      TYR  24  52.118  22.458  10.653
  174    HD2  TYR  24           HD2      TYR  24  50.546  25.144   7.661
  175    HE1  TYR  24           HE1      TYR  24  54.378  22.628   9.618
  176    HE2  TYR  24           HE2      TYR  24  52.806  25.315   6.628
  177    HH   TYR  24           HH       TYR  24  55.054  23.441   6.775
  178    H    LEU  25           HN       LEU  25  48.204  23.260  11.592
  179    HA   LEU  25           HA       LEU  25  45.590  21.988  11.401
  180    HB2  LEU  25           HB2      LEU  25  46.309  24.271  13.269
  181    HB3  LEU  25           HB1      LEU  25  45.169  22.928  13.535
  182    HG   LEU  25           HG       LEU  25  48.208  22.730  13.345
  183   HD11  LEU  25          HD11      LEU  25  46.300  22.114  15.643
  184   HD12  LEU  25          HD12      LEU  25  47.213  23.635  15.481
  185   HD13  LEU  25          HD13      LEU  25  48.079  22.093  15.692
  186   HD21  LEU  25          HD21      LEU  25  47.695  20.293  14.036
  187   HD22  LEU  25          HD22      LEU  25  47.347  20.727  12.347
  188   HD23  LEU  25          HD23      LEU  25  46.020  20.616  13.529
  Start of MODEL   49
    1    H1   GLY   1           HT1      GLY   1  60.575   0.568  -0.280
    2    H2   GLY   1           HT2      GLY   1  61.420   2.028  -0.067
    3    H3   GLY   1           HT3      GLY   1  61.812   0.993  -1.356
    4    HA2  GLY   1           HA1      GLY   1  59.177   1.425  -1.693
    5    HA3  GLY   1           HA2      GLY   1  59.805   2.991  -1.144
    6    H    TRP   2           HN       TRP   2  59.196   3.737  -3.292
    7    HA   TRP   2           HA       TRP   2  61.499   3.798  -5.034
    8    HB2  TRP   2           HB2      TRP   2  60.658   1.533  -5.625
    9    HB3  TRP   2           HB1      TRP   2  59.088   2.249  -6.063
   10    HD1  TRP   2           HD1      TRP   2  58.851   3.102  -8.452
   11    HE1  TRP   2           HE1      TRP   2  60.443   3.563 -10.456
   12    HE3  TRP   2           HE3      TRP   2  63.338   2.347  -6.106
   13    HZ2  TRP   2           HZ2      TRP   2  63.281   3.592 -10.940
   14    HZ3  TRP   2           HZ3      TRP   2  65.476   2.597  -7.359
   15    HH2  TRP   2           HH2      TRP   2  65.451   3.218  -9.772
   16    H    GLY   3           HN       GLY   3  58.005   3.741  -5.827
   17    HA2  GLY   3           HA1      GLY   3  57.671   6.590  -5.664
   18    HA3  GLY   3           HA2      GLY   3  58.044   6.122  -7.335
   19    H    SER   4           HN       SER   4  56.223   4.269  -4.898
   20    HA   SER   4           HA       SER   4  54.063   3.433  -4.969
   21    HB2  SER   4           HB2      SER   4  52.326   4.979  -5.391
   22    HB3  SER   4           HB1      SER   4  53.690   6.002  -4.892
   23    HG   SER   4           HG       SER   4  53.733   6.824  -6.829
   24    H    PHE   5           HN       PHE   5  52.311   2.607  -6.389
   25    HA   PHE   5           HA       PHE   5  52.654   2.641  -9.260
   26    HB2  PHE   5           HB2      PHE   5  54.623   1.210  -8.539
   27    HB3  PHE   5           HB1      PHE   5  53.446   0.036  -7.904
   28    HD1  PHE   5           HD1      PHE   5  54.840   1.612 -10.951
   29    HD2  PHE   5           HD2      PHE   5  51.987  -1.240  -9.413
   30    HE1  PHE   5           HE1      PHE   5  54.548   0.669 -13.239
   31    HE2  PHE   5           HE2      PHE   5  51.695  -2.182 -11.701
   32    HZ   PHE   5           HZ       PHE   5  52.949  -1.203 -13.620
   33    H    PHE   6           HN       PHE   6  51.345   1.259  -6.311
   34    HA   PHE   6           HA       PHE   6  49.349  -0.427  -7.437
   35    HB2  PHE   6           HB2      PHE   6  49.343   1.216  -4.876
   36    HB3  PHE   6           HB1      PHE   6  48.139  -0.034  -5.273
   37    HD1  PHE   6           HD1      PHE   6  48.736  -2.405  -5.311
   38    HD2  PHE   6           HD2      PHE   6  51.691   0.614  -4.426
   39    HE1  PHE   6           HE1      PHE   6  50.291  -4.169  -4.485
   40    HE2  PHE   6           HE2      PHE   6  53.245  -1.150  -3.601
   41    HZ   PHE   6           HZ       PHE   6  52.577  -3.548  -3.711
   42    H    LYS   7           HN       LYS   7  47.216  -0.127  -8.028
   43    HA   LYS   7           HA       LYS   7  46.612   2.412  -9.268
   44    HB2  LYS   7           HB2      LYS   7  44.756   0.085  -8.625
   45    HB3  LYS   7           HB1      LYS   7  44.447   1.391  -9.793
   46    HG2  LYS   7           HG2      LYS   7  46.444   0.700 -11.093
   47    HG3  LYS   7           HG1      LYS   7  46.739  -0.616  -9.931
   48    HD2  LYS   7           HD2      LYS   7  44.448  -1.518 -10.456
   49    HD3  LYS   7           HD1      LYS   7  44.295  -0.275 -11.722
   50    HE2  LYS   7           HE2      LYS   7  45.073  -2.390 -12.711
   51    HE3  LYS   7           HE1      LYS   7  46.356  -1.161 -12.813
   52    HZ1  LYS   7           HZ1      LYS   7  47.636  -2.254 -11.335
   53    HZ2  LYS   7           HZ2      LYS   7  46.737  -3.605 -11.836
   54    HZ3  LYS   7           HZ3      LYS   7  46.328  -2.794 -10.401
   55    H    LYS   8           HN       LYS   8  44.522   0.712  -6.909
   56    HA   LYS   8           HA       LYS   8  43.392   3.231  -6.002
   57    HB2  LYS   8           HB2      LYS   8  42.176   1.030  -6.028
   58    HB3  LYS   8           HB1      LYS   8  43.218   0.492  -4.687
   59    HG2  LYS   8           HG2      LYS   8  42.424   2.343  -3.284
   60    HG3  LYS   8           HG1      LYS   8  41.446   2.975  -4.629
   61    HD2  LYS   8           HD2      LYS   8  40.137   0.864  -4.664
   62    HD3  LYS   8           HD1      LYS   8  41.101   0.252  -3.297
   63    HE2  LYS   8           HE2      LYS   8  38.910   1.244  -2.578
   64    HE3  LYS   8           HE1      LYS   8  40.314   2.075  -1.867
   65    HZ1  LYS   8           HZ1      LYS   8  40.091   3.851  -3.352
   66    HZ2  LYS   8           HZ2      LYS   8  38.498   3.513  -2.870
   67    HZ3  LYS   8           HZ3      LYS   8  39.057   2.998  -4.389
   68    H    ALA   9           HN       ALA   9  43.967   4.528  -4.376
   69    HA   ALA   9           HA       ALA   9  45.473   3.557  -2.080
   70    HB1  ALA   9           HB1      ALA   9  46.927   5.476  -3.924
   71    HB2  ALA   9           HB2      ALA   9  47.233   3.722  -3.895
   72    HB3  ALA   9           HB3      ALA   9  47.541   4.706  -2.443
   73    H    ALA  10           HN       ALA  10  43.632   4.512  -1.082
   74    HA   ALA  10           HA       ALA  10  42.939   7.280  -1.457
   75    HB1  ALA  10           HB1      ALA  10  42.495   5.616   1.038
   76    HB2  ALA  10           HB2      ALA  10  41.503   5.466  -0.432
   77    HB3  ALA  10           HB3      ALA  10  41.540   7.003   0.464
   78    H    HIS  11           HN       HIS  11  44.363   8.872  -1.154
   79    HA   HIS  11           HA       HIS  11  46.465   8.681   0.877
   80    HB2  HIS  11           HB2      HIS  11  45.601  11.148  -0.673
   81    HB3  HIS  11           HB1      HIS  11  47.191  10.809   0.052
   82    HD1  HIS  11           HD1      HIS  11  45.197  10.367  -3.035
   83    HD2  HIS  11           HD2      HIS  11  48.622   8.629  -1.316
   84    HE1  HIS  11           HE1      HIS  11  46.376   9.033  -4.868
   85    H    ALA  12           HN       ALA  12  46.217   9.093   2.966
   86    HA   ALA  12           HA       ALA  12  44.718  11.435   3.863
   87    HB1  ALA  12           HB1      ALA  12  43.666   8.702   4.668
   88    HB2  ALA  12           HB2      ALA  12  42.898   9.755   3.456
   89    HB3  ALA  12           HB3      ALA  12  43.025  10.289   5.150
   90    H    GLY  13           HN       GLY  13  47.062   9.079   4.120
   91    HA2  GLY  13           HA1      GLY  13  48.345  10.201   6.344
   92    HA3  GLY  13           HA2      GLY  13  47.327   8.898   6.988
   93    H    LYS  14           HN       LYS  14  49.805   9.619   4.514
   94    HA   LYS  14           HA       LYS  14  51.340   7.284   5.276
   95    HB2  LYS  14           HB2      LYS  14  49.350   6.362   3.883
   96    HB3  LYS  14           HB1      LYS  14  50.151   7.113   2.483
   97    HG2  LYS  14           HG2      LYS  14  52.285   5.839   3.267
   98    HG3  LYS  14           HG1      LYS  14  51.185   4.898   4.298
   99    HD2  LYS  14           HD2      LYS  14  50.961   5.199   1.269
  100    HD3  LYS  14           HD1      LYS  14  51.558   3.761   2.129
  101    HE2  LYS  14           HE2      LYS  14  49.282   3.765   3.365
  102    HE3  LYS  14           HE1      LYS  14  48.746   4.914   2.113
  103    HZ1  LYS  14           HZ1      LYS  14  48.198   2.750   1.369
  104    HZ2  LYS  14           HZ2      LYS  14  49.741   2.139   1.729
  105    HZ3  LYS  14           HZ3      LYS  14  49.536   3.239   0.451
  106    H    HIS  15           HN       HIS  15  51.920   7.293   2.097
  107    HA   HIS  15           HA       HIS  15  54.303   8.862   2.300
  108    HB2  HIS  15           HB2      HIS  15  52.758   7.995  -0.177
  109    HB3  HIS  15           HB1      HIS  15  54.440   8.577  -0.152
  110    HD1  HIS  15           HD1      HIS  15  55.543   7.123   2.319
  111    HD2  HIS  15           HD2      HIS  15  53.184   5.278  -0.632
  112    HE1  HIS  15           HE1      HIS  15  55.982   4.609   2.455
  113    H    ALA  16           HN       ALA  16  51.045   9.798   1.953
  114    HA   ALA  16           HA       ALA  16  51.106  11.995   0.223
  115    HB1  ALA  16           HB1      ALA  16  49.717  12.004   2.918
  116    HB2  ALA  16           HB2      ALA  16  49.138  11.066   1.523
  117    HB3  ALA  16           HB3      ALA  16  49.226  12.839   1.428
  118    H    GLY  17           HN       GLY  17  51.245  12.491   3.772
  119    HA2  GLY  17           HA1      GLY  17  52.599  13.890   5.028
  120    HA3  GLY  17           HA2      GLY  17  53.717  13.983   3.654
  121    H    LYS  18           HN       LYS  18  52.963  15.386   1.787
  122    HA   LYS  18           HA       LYS  18  52.297  18.004   2.911
  123    HB2  LYS  18           HB2      LYS  18  53.932  17.437   0.967
  124    HB3  LYS  18           HB1      LYS  18  52.476  17.347  -0.051
  125    HG2  LYS  18           HG2      LYS  18  51.859  19.667   0.726
  126    HG3  LYS  18           HG1      LYS  18  53.408  19.741   1.598
  127    HD2  LYS  18           HD2      LYS  18  54.601  19.308  -0.564
  128    HD3  LYS  18           HD1      LYS  18  53.033  19.374  -1.406
  129    HE2  LYS  18           HE2      LYS  18  54.303  21.617   0.226
  130    HE3  LYS  18           HE1      LYS  18  54.136  21.564  -1.546
  131    HZ1  LYS  18           HZ1      LYS  18  51.617  21.134  -0.778
  132    HZ2  LYS  18           HZ2      LYS  18  52.249  22.677  -1.106
  133    HZ3  LYS  18           HZ3      LYS  18  52.141  22.122   0.497
  134    H    ALA  19           HN       ALA  19  50.179  16.318   3.435
  135    HA   ALA  19           HA       ALA  19  47.996  17.813   2.289
  136    HB1  ALA  19           HB1      ALA  19  48.087  14.908   1.427
  137    HB2  ALA  19           HB2      ALA  19  48.615  16.244   0.378
  138    HB3  ALA  19           HB3      ALA  19  46.927  16.165   0.939
  139    H    ALA  20           HN       ALA  20  48.729  14.502   3.490
  140    HA   ALA  20           HA       ALA  20  46.363  14.477   5.192
  141    HB1  ALA  20           HB1      ALA  20  47.410  12.428   4.238
  142    HB2  ALA  20           HB2      ALA  20  47.254  12.361   6.010
  143    HB3  ALA  20           HB3      ALA  20  48.834  12.708   5.267
  144    H    LEU  21           HN       LEU  21  49.831  14.169   6.073
  145    HA   LEU  21           HA       LEU  21  49.265  15.272   8.751
  146    HB2  LEU  21           HB2      LEU  21  51.993  14.665   7.556
  147    HB3  LEU  21           HB1      LEU  21  51.516  14.690   9.271
  148    HG   LEU  21           HG       LEU  21  50.531  12.700   7.174
  149   HD11  LEU  21          HD11      LEU  21  52.432  12.405   9.542
  150   HD12  LEU  21          HD12      LEU  21  52.884  12.345   7.822
  151   HD13  LEU  21          HD13      LEU  21  51.852  11.073   8.516
  152   HD21  LEU  21          HD21      LEU  21  48.769  12.972   8.771
  153   HD22  LEU  21          HD22      LEU  21  49.910  13.113  10.130
  154   HD23  LEU  21          HD23      LEU  21  49.667  11.543   9.327
  155    H    THR  22           HN       THR  22  48.432  17.319   7.627
  156    HA   THR  22           HA       THR  22  50.549  19.339   7.876
  157    HB   THR  22           HB       THR  22  49.111  19.106   5.197
  158    HG1  THR  22           HG1      THR  22  51.821  18.868   5.208
  159   HG21  THR  22          HG21      THR  22  51.335  20.902   6.254
  160   HG22  THR  22          HG22      THR  22  49.681  21.398   5.819
  161   HG23  THR  22          HG23      THR  22  50.806  20.841   4.556
  162    H    HIS  23           HN       HIS  23  47.351  18.984   6.252
  163    HA   HIS  23           HA       HIS  23  46.032  20.555   8.336
  164    HB2  HIS  23           HB2      HIS  23  45.362  22.410   6.758
  165    HB3  HIS  23           HB1      HIS  23  47.080  22.426   7.225
  166    HD1  HIS  23           HD1      HIS  23  45.450  20.149   4.614
  167    HD2  HIS  23           HD2      HIS  23  48.277  23.252   4.853
  168    HE1  HIS  23           HE1      HIS  23  46.473  20.429   2.290
  169    H    TYR  24           HN       TYR  24  43.734  21.173   7.547
  170    HA   TYR  24           HA       TYR  24  42.537  18.707   6.558
  171    HB2  TYR  24           HB2      TYR  24  41.517  20.259   8.279
  172    HB3  TYR  24           HB1      TYR  24  41.205  21.413   6.961
  173    HD1  TYR  24           HD1      TYR  24  40.582  17.869   8.044
  174    HD2  TYR  24           HD2      TYR  24  39.287  21.156   5.564
  175    HE1  TYR  24           HE1      TYR  24  38.518  16.608   7.450
  176    HE2  TYR  24           HE2      TYR  24  37.222  19.895   4.970
  177    HH   TYR  24           HH       TYR  24  36.210  17.056   6.485
  178    H    LEU  25           HN       LEU  25  43.236  21.927   5.242
  179    HA   LEU  25           HA       LEU  25  41.686  21.627   2.835
  180    HB2  LEU  25           HB2      LEU  25  44.247  23.245   3.060
  181    HB3  LEU  25           HB1      LEU  25  42.811  23.570   2.061
  182    HG   LEU  25           HG       LEU  25  43.005  23.726   5.101
  183   HD11  LEU  25          HD11      LEU  25  43.955  25.650   3.886
  184   HD12  LEU  25          HD12      LEU  25  42.433  26.113   4.685
  185   HD13  LEU  25          HD13      LEU  25  42.461  25.804   2.932
  186   HD21  LEU  25          HD21      LEU  25  40.591  24.615   4.822
  187   HD22  LEU  25          HD22      LEU  25  40.816  22.860   4.649
  188   HD23  LEU  25          HD23      LEU  25  40.625  23.878   3.202
  Start of MODEL   50
    1    H1   GLY   1           HT1      GLY   1  60.152  -8.441  -6.863
    2    H2   GLY   1           HT2      GLY   1  58.594  -8.622  -6.208
    3    H3   GLY   1           HT3      GLY   1  59.590  -7.339  -5.705
    4    HA2  GLY   1           HA1      GLY   1  57.863  -7.563  -7.950
    5    HA3  GLY   1           HA2      GLY   1  58.526  -6.122  -7.155
    6    H    TRP   2           HN       TRP   2  58.667  -8.206  -9.857
    7    HA   TRP   2           HA       TRP   2  61.401  -7.596 -10.662
    8    HB2  TRP   2           HB2      TRP   2  59.011  -8.618 -12.248
    9    HB3  TRP   2           HB1      TRP   2  60.690  -8.561 -12.841
   10    HD1  TRP   2           HD1      TRP   2  58.331 -10.639 -10.830
   11    HE1  TRP   2           HE1      TRP   2  59.545 -12.702  -9.813
   12    HE3  TRP   2           HE3      TRP   2  63.173  -9.282 -11.791
   13    HZ2  TRP   2           HZ2      TRP   2  62.258 -13.610  -9.479
   14    HZ3  TRP   2           HZ3      TRP   2  65.058 -10.761 -11.115
   15    HH2  TRP   2           HH2      TRP   2  64.605 -12.922  -9.961
   16    H    GLY   3           HN       GLY   3  58.194  -6.196 -11.210
   17    HA2  GLY   3           HA1      GLY   3  59.251  -3.635 -11.881
   18    HA3  GLY   3           HA2      GLY   3  58.864  -4.493 -13.385
   19    H    SER   4           HN       SER   4  57.478  -3.656 -10.188
   20    HA   SER   4           HA       SER   4  55.069  -2.610 -11.449
   21    HB2  SER   4           HB2      SER   4  54.786  -5.160  -9.814
   22    HB3  SER   4           HB1      SER   4  53.475  -4.215 -10.557
   23    HG   SER   4           HG       SER   4  53.856  -5.626 -12.114
   24    H    PHE   5           HN       PHE   5  55.944  -0.839 -10.182
   25    HA   PHE   5           HA       PHE   5  56.070  -1.064  -7.285
   26    HB2  PHE   5           HB2      PHE   5  57.297   0.627  -8.783
   27    HB3  PHE   5           HB1      PHE   5  55.749   1.498  -8.897
   28    HD1  PHE   5           HD1      PHE   5  58.540   0.517  -6.680
   29    HD2  PHE   5           HD2      PHE   5  54.747   2.565  -6.908
   30    HE1  PHE   5           HE1      PHE   5  58.981   1.581  -4.471
   31    HE2  PHE   5           HE2      PHE   5  55.189   3.627  -4.697
   32    HZ   PHE   5           HZ       PHE   5  57.306   3.136  -3.479
   33    H    PHE   6           HN       PHE   6  54.733   0.348  -5.837
   34    HA   PHE   6           HA       PHE   6  51.948  -0.333  -6.184
   35    HB2  PHE   6           HB2      PHE   6  53.332   1.571  -4.255
   36    HB3  PHE   6           HB1      PHE   6  51.627   1.074  -4.141
   37    HD1  PHE   6           HD1      PHE   6  55.152  -0.046  -3.870
   38    HD2  PHE   6           HD2      PHE   6  51.012  -1.202  -3.493
   39    HE1  PHE   6           HE1      PHE   6  55.842  -2.130  -2.690
   40    HE2  PHE   6           HE2      PHE   6  51.700  -3.286  -2.312
   41    HZ   PHE   6           HZ       PHE   6  54.115  -3.740  -1.895
   42    H    LYS   7           HN       LYS   7  52.920   2.970  -5.348
   43    HA   LYS   7           HA       LYS   7  51.991   4.116  -7.864
   44    HB2  LYS   7           HB2      LYS   7  49.811   3.501  -6.849
   45    HB3  LYS   7           HB1      LYS   7  50.227   4.451  -5.402
   46    HG2  LYS   7           HG2      LYS   7  50.272   6.506  -6.656
   47    HG3  LYS   7           HG1      LYS   7  50.190   5.637  -8.207
   48    HD2  LYS   7           HD2      LYS   7  47.929   4.901  -7.762
   49    HD3  LYS   7           HD1      LYS   7  48.005   5.505  -6.088
   50    HE2  LYS   7           HE2      LYS   7  48.216   7.817  -6.904
   51    HE3  LYS   7           HE1      LYS   7  48.224   7.241  -8.588
   52    HZ1  LYS   7           HZ1      LYS   7  45.997   6.352  -6.935
   53    HZ2  LYS   7           HZ2      LYS   7  46.019   6.855  -8.558
   54    HZ3  LYS   7           HZ3      LYS   7  46.022   8.006  -7.308
   55    H    LYS   8           HN       LYS   8  53.289   4.225  -4.682
   56    HA   LYS   8           HA       LYS   8  54.581   5.808  -3.596
   57    HB2  LYS   8           HB2      LYS   8  55.738   5.750  -5.870
   58    HB3  LYS   8           HB1      LYS   8  54.819   7.219  -6.278
   59    HG2  LYS   8           HG2      LYS   8  55.776   8.371  -4.304
   60    HG3  LYS   8           HG1      LYS   8  56.698   6.904  -3.894
   61    HD2  LYS   8           HD2      LYS   8  57.948   7.036  -5.980
   62    HD3  LYS   8           HD1      LYS   8  56.943   8.394  -6.542
   63    HE2  LYS   8           HE2      LYS   8  58.611   8.490  -3.997
   64    HE3  LYS   8           HE1      LYS   8  59.199   9.065  -5.576
   65    HZ1  LYS   8           HZ1      LYS   8  57.815  10.556  -3.804
   66    HZ2  LYS   8           HZ2      LYS   8  56.578  10.044  -4.850
   67    HZ3  LYS   8           HZ3      LYS   8  57.922  10.881  -5.465
   68    H    ALA   9           HN       ALA   9  54.446   7.790  -2.546
   69    HA   ALA   9           HA       ALA   9  53.264   9.580  -1.665
   70    HB1  ALA   9           HB1      ALA   9  52.564  11.288  -3.250
   71    HB2  ALA   9           HB2      ALA   9  52.592  10.106  -4.581
   72    HB3  ALA   9           HB3      ALA   9  54.110  10.582  -3.781
   73    H    ALA  10           HN       ALA  10  51.839   7.579  -1.011
   74    HA   ALA  10           HA       ALA  10  49.214   7.449  -2.281
   75    HB1  ALA  10           HB1      ALA  10  48.649   6.033  -0.314
   76    HB2  ALA  10           HB2      ALA  10  50.240   6.417   0.387
   77    HB3  ALA  10           HB3      ALA  10  50.134   5.506  -1.140
   78    H    HIS  11           HN       HIS  11  47.403   7.413  -0.252
   79    HA   HIS  11           HA       HIS  11  47.003  10.278   0.189
   80    HB2  HIS  11           HB2      HIS  11  45.407   7.948   1.316
   81    HB3  HIS  11           HB1      HIS  11  44.869   9.632   1.110
   82    HD1  HIS  11           HD1      HIS  11  44.062   6.645  -0.361
   83    HD2  HIS  11           HD2      HIS  11  45.625  10.194  -1.986
   84    HE1  HIS  11           HE1      HIS  11  43.561   6.621  -2.866
   85    H    ALA  12           HN       ALA  12  49.258   8.643   1.546
   86    HA   ALA  12           HA       ALA  12  48.649   8.613   4.364
   87    HB1  ALA  12           HB1      ALA  12  51.091   8.432   4.648
   88    HB2  ALA  12           HB2      ALA  12  51.320   8.847   2.933
   89    HB3  ALA  12           HB3      ALA  12  50.501   7.332   3.383
   90    H    GLY  13           HN       GLY  13  49.291  11.141   2.127
   91    HA2  GLY  13           HA1      GLY  13  48.770  13.222   3.933
   92    HA3  GLY  13           HA2      GLY  13  50.533  13.011   3.936
   93    H    LYS  14           HN       LYS  14  47.775  14.232   2.259
   94    HA   LYS  14           HA       LYS  14  49.479  15.756   0.460
   95    HB2  LYS  14           HB2      LYS  14  49.434  13.481  -0.647
   96    HB3  LYS  14           HB1      LYS  14  47.673  13.676  -0.829
   97    HG2  LYS  14           HG2      LYS  14  48.033  15.765  -2.111
   98    HG3  LYS  14           HG1      LYS  14  49.795  15.573  -1.931
   99    HD2  LYS  14           HD2      LYS  14  49.697  13.419  -3.137
  100    HD3  LYS  14           HD1      LYS  14  47.932  13.583  -3.302
  101    HE2  LYS  14           HE2      LYS  14  49.052  14.318  -5.371
  102    HE3  LYS  14           HE1      LYS  14  48.262  15.700  -4.573
  103    HZ1  LYS  14           HZ1      LYS  14  50.229  16.695  -4.551
  104    HZ2  LYS  14           HZ2      LYS  14  51.004  15.320  -5.177
  105    HZ3  LYS  14           HZ3      LYS  14  50.815  15.502  -3.498
  106    H    HIS  15           HN       HIS  15  46.267  14.506   1.310
  107    HA   HIS  15           HA       HIS  15  45.170  17.204   1.311
  108    HB2  HIS  15           HB2      HIS  15  45.158  16.690  -1.139
  109    HB3  HIS  15           HB1      HIS  15  44.127  15.279  -0.803
  110    HD1  HIS  15           HD1      HIS  15  44.141  19.080  -0.219
  111    HD2  HIS  15           HD2      HIS  15  41.429  15.894  -0.658
  112    HE1  HIS  15           HE1      HIS  15  41.791  20.083  -0.282
  113    H    ALA  16           HN       ALA  16  45.436  14.294   2.586
  114    HA   ALA  16           HA       ALA  16  42.969  14.540   4.111
  115    HB1  ALA  16           HB1      ALA  16  43.263  12.176   2.223
  116    HB2  ALA  16           HB2      ALA  16  42.047  13.471   2.105
  117    HB3  ALA  16           HB3      ALA  16  42.020  12.347   3.485
  118    H    GLY  17           HN       GLY  17  45.708  14.576   4.754
  119    HA2  GLY  17           HA1      GLY  17  46.410  11.904   5.796
  120    HA3  GLY  17           HA2      GLY  17  47.357  13.397   5.943
  121    H    LYS  18           HN       LYS  18  44.288  11.913   7.049
  122    HA   LYS  18           HA       LYS  18  43.200  12.075   9.091
  123    HB2  LYS  18           HB2      LYS  18  46.069  12.417  10.056
  124    HB3  LYS  18           HB1      LYS  18  44.672  12.129  11.120
  125    HG2  LYS  18           HG2      LYS  18  44.187  10.020   9.875
  126    HG3  LYS  18           HG1      LYS  18  45.639  10.295   8.883
  127    HD2  LYS  18           HD2      LYS  18  47.020  10.307  10.974
  128    HD3  LYS  18           HD1      LYS  18  45.557   9.912  11.907
  129    HE2  LYS  18           HE2      LYS  18  46.832   7.861  11.405
  130    HE3  LYS  18           HE1      LYS  18  45.266   7.843  10.557
  131    HZ1  LYS  18           HZ1      LYS  18  47.322   9.117   9.024
  132    HZ2  LYS  18           HZ2      LYS  18  46.285   7.842   8.595
  133    HZ3  LYS  18           HZ3      LYS  18  47.736   7.520   9.417
  134    H    ALA  19           HN       ALA  19  45.831  14.238  10.083
  135    HA   ALA  19           HA       ALA  19  43.871  16.305  10.798
  136    HB1  ALA  19           HB1      ALA  19  46.903  16.429  10.827
  137    HB2  ALA  19           HB2      ALA  19  45.909  15.775  12.151
  138    HB3  ALA  19           HB3      ALA  19  45.774  17.492  11.699
  139    H    ALA  20           HN       ALA  20  45.082  15.384   7.892
  140    HA   ALA  20           HA       ALA  20  45.390  16.464   5.865
  141    HB1  ALA  20           HB1      ALA  20  43.968  18.399   5.433
  142    HB2  ALA  20           HB2      ALA  20  43.726  18.641   7.180
  143    HB3  ALA  20           HB3      ALA  20  43.071  17.191   6.382
  144    H    LEU  21           HN       LEU  21  47.619  16.757   6.003
  145    HA   LEU  21           HA       LEU  21  49.592  17.973   6.124
  146    HB2  LEU  21           HB2      LEU  21  47.548  20.117   5.457
  147    HB3  LEU  21           HB1      LEU  21  49.273  20.514   5.636
  148    HG   LEU  21           HG       LEU  21  49.876  18.951   3.868
  149   HD11  LEU  21          HD11      LEU  21  46.933  18.187   4.011
  150   HD12  LEU  21          HD12      LEU  21  48.359  17.130   4.154
  151   HD13  LEU  21          HD13      LEU  21  47.929  17.833   2.579
  152   HD21  LEU  21          HD21      LEU  21  49.114  21.229   3.215
  153   HD22  LEU  21          HD22      LEU  21  47.450  20.617   3.056
  154   HD23  LEU  21          HD23      LEU  21  48.725  20.025   1.964
  155    H    THR  22           HN       THR  22  47.736  20.712   7.366
  156    HA   THR  22           HA       THR  22  48.584  20.139  10.163
  157    HB   THR  22           HB       THR  22  49.666  22.350  10.417
  158    HG1  THR  22           HG1      THR  22  50.198  22.992   7.941
  159   HG21  THR  22          HG21      THR  22  50.960  20.253   9.743
  160   HG22  THR  22          HG22      THR  22  51.750  21.802   9.357
  161   HG23  THR  22          HG23      THR  22  50.929  20.875   8.077
  162    H    HIS  23           HN       HIS  23  46.074  19.936   9.605
  163    HA   HIS  23           HA       HIS  23  43.954  20.817   9.939
  164    HB2  HIS  23           HB2      HIS  23  44.984  21.161  12.201
  165    HB3  HIS  23           HB1      HIS  23  45.422  22.815  11.704
  166    HD1  HIS  23           HD1      HIS  23  42.298  21.948  10.091
  167    HD2  HIS  23           HD2      HIS  23  43.373  23.259  13.940
  168    HE1  HIS  23           HE1      HIS  23  40.196  22.905  11.185
  169    H    TYR  24           HN       TYR  24  43.494  21.557   7.878
  170    HA   TYR  24           HA       TYR  24  43.118  24.434   7.673
  171    HB2  TYR  24           HB2      TYR  24  45.510  24.345   7.089
  172    HB3  TYR  24           HB1      TYR  24  45.168  23.126   5.837
  173    HD1  TYR  24           HD1      TYR  24  44.347  23.773   3.677
  174    HD2  TYR  24           HD2      TYR  24  44.457  26.649   6.894
  175    HE1  TYR  24           HE1      TYR  24  43.802  25.596   2.067
  176    HE2  TYR  24           HE2      TYR  24  43.914  28.471   5.282
  177    HH   TYR  24           HH       TYR  24  42.520  28.027   2.477
  178    H    LEU  25           HN       LEU  25  41.659  24.984   6.061
  179    HA   LEU  25           HA       LEU  25  40.932  23.065   3.981
  180    HB2  LEU  25           HB2      LEU  25  39.840  22.157   6.113
  181    HB3  LEU  25           HB1      LEU  25  38.852  23.633   6.122
  182    HG   LEU  25           HG       LEU  25  38.302  22.967   3.610
  183   HD11  LEU  25          HD11      LEU  25  38.202  20.451   3.365
  184   HD12  LEU  25          HD12      LEU  25  39.216  20.312   4.817
  185   HD13  LEU  25          HD13      LEU  25  39.854  21.103   3.356
  186   HD21  LEU  25          HD21      LEU  25  37.183  21.429   5.998
  187   HD22  LEU  25          HD22      LEU  25  36.391  21.580   4.412
  188   HD23  LEU  25          HD23      LEU  25  36.636  23.022   5.425