*HEADER    ANTIMICROBIAL PROTEIN                   11-JUN-19   6RYQ              
*TITLE     WINTER FLOUNDER 1A IN SDS MICELLES                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PLEUROCIDIN-LIKE PREPROPOLYPEPTIDE;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*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    WINTER FLOUNDER, AMP, ANTIMICROBIAL PEPTIDE, CATIONIC, ANTIMICROBIAL  
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    100                                                                   
*AUTHOR    A.J.MASON,M.CLARKE                                                    
*REVDAT   1   15-JUL-20 6RYQ    0                                                
# Restraints file 1: WF1a-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   15 ALA  HA      A   16 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
   2  1    1 TRP  HA      A    2 LEU   HN     A    0.000   2.700 100.0 1.0 1.0
   3  1    4 ARG  HA      A    5 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
   4  1   10 LYS  HA      A   14 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
   5  1    2 LEU  HA      A    5 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
   6  1   11 ILE  HA      A   12 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
   7  1    9 VAL  HB      A   12 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
   8  1    1 TRP  HB1     A    5 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
   8  2    1 TRP  HB2     A    5 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
   9  1    3 ARG  HA      A    4 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  10  1   15 ALA  HA      A   18 ASP   HN     A    0.000   5.000 100.0 1.0 1.0
  11  1   16 ALA  HA      A   18 ASP   HN     A    0.000   5.000 100.0 1.0 1.0
  12  1    8 GLY  HA1     A   10 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
  12  1    8 GLY  HA2     A   10 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
  13  1   14 GLY  HA1     A   15 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  13  1   14 GLY  HA2     A   15 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  14  1   12 ILE  HA      A   15 ALA   HN     A    0.000   3.300 100.0 1.0 1.0
  15  1    9 VAL  HB      A   10 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
  16  1   18 ASP  HB1     A   19 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  16  2   18 ASP  HB2     A   19 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  17  1   18 ASP  HB1     A   19 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  17  2   18 ASP  HB2     A   19 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  18  1   19 HIS  HB1     A   20 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
  18  2   19 HIS  HB2     A   20 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
  19  1   19 HIS  HB1     A   20 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
  19  2   19 HIS  HB2     A   20 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
  20  1   19 HIS  HA      A   20 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
  21  1    1 TRP  HA      A    3 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  22  1    2 LEU  HA      A    3 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  23  1   12 ILE  HB      A   14 GLY   HN     A    0.000   3.300 100.0 1.0 1.0
  24  1   11 ILE  HB      A   12 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  25  1   11 ILE  HB      A   14 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  26  1    2 LEU  HB1     A    5 ILE   HN     A    0.000   3.300 100.0 1.0 1.0
  26  2    2 LEU  HB2     A    5 ILE   HN     A    0.000   3.300 100.0 1.0 1.0
  27  1    2 LEU  HB1     A    5 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  27  2    2 LEU  HB2     A    5 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  28  1    2 LEU  HB1     A    4 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  28  2    2 LEU  HB2     A    4 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  29  1    2 LEU  HB1     A    4 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  29  2    2 LEU  HB2     A    4 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  30  1    2 LEU  HB1     A    3 ARG   HN     A    0.000   3.300 100.0 1.0 1.0
  30  1    2 LEU  HB2     A    3 ARG   HN     A    0.000   3.300 100.0 1.0 1.0
  31  1    3 ARG  HB1     A    4 ARG   HN     A    0.000   3.300 100.0 1.0 1.0
  31  2    3 ARG  HB2     A    4 ARG   HN     A    0.000   3.300 100.0 1.0 1.0
  32  1   17 LEU  HB1     A   20 LEU   HN     A    0.000   2.700 100.0 1.0 1.0
  32  1   17 LEU  HB2     A   20 LEU   HN     A    0.000   2.700 100.0 1.0 1.0
  33  1   10 LYS  HB1     A   11 ILE   HN     A    0.000   3.300 100.0 1.0 1.0
  33  2   10 LYS  HB2     A   11 ILE   HN     A    0.000   3.300 100.0 1.0 1.0
  34  1   10 LYS  HD1     A   11 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  34  1   10 LYS  HD2     A   11 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  35  1   12 ILE  HB      A   15 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  36  1   11 ILE  HB      A   15 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  37  1   15 ALA  HN      A   16 ALA   HN     A    0.000   3.300 100.0 1.0 1.0
  38  1   14 GLY  HN      A   17 LEU   HN     A    0.000   3.300 100.0 1.0 1.0
  39  1   14 GLY  HN      A   15 ALA   HN     A    0.000   3.300 100.0 1.0 1.0
  40  1    3 ARG  HN      A    5 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  41  1    6 GLY  HA1     A    7 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
  41  1    6 GLY  HA2     A    7 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
  42  1   10 LYS  HB1     A   12 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  42  1   10 LYS  HB2     A   12 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  43  1    3 ARG  HB1     A    4 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  43  1    3 ARG  HB2     A    4 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  44  1   10 LYS  HB1     A   11 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  44  2   10 LYS  HB2     A   11 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  45  1   15 ALA  HB1     A   15 ALA   HN     A    0.000   3.300 100.0 1.0 1.0
  45  1   15 ALA  HB2     A   15 ALA   HN     A    0.000   3.300 100.0 1.0 1.0
  45  1   15 ALA  HB3     A   15 ALA   HN     A    0.000   3.300 100.0 1.0 1.0
  46  1   13 GLY  HA1     A   14 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  46  1   13 GLY  HA2     A   14 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  47  1   11 ILE  HA      A   14 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  48  1   18 ASP  HB1     A   20 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
  48  2   18 ASP  HB2     A   20 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
  49  1    2 LEU  HD11    A    3 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  49  1    2 LEU  HD12    A    3 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  49  1    2 LEU  HD13    A    3 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  49  1    2 LEU  HD21    A    3 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  49  1    2 LEU  HD22    A    3 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  49  1    2 LEU  HD23    A    3 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  50  1    2 LEU  HG      A    3 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  51  1   12 ILE  HG11    A   13 GLY   HN     A    0.000   2.700 100.0 1.0 1.0
  51  1   12 ILE  HG12    A   13 GLY   HN     A    0.000   2.700 100.0 1.0 1.0
  51  1   12 ILE  HG21    A   13 GLY   HN     A    0.000   2.700 100.0 1.0 1.0
  51  1   12 ILE  HG22    A   13 GLY   HN     A    0.000   2.700 100.0 1.0 1.0
  51  1   12 ILE  HG23    A   13 GLY   HN     A    0.000   2.700 100.0 1.0 1.0
  52  1    9 VAL  HN      A   11 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  53  1    9 VAL  HN      A   13 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  54  1   10 LYS  HN      A   14 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  55  1    4 ARG  HN      A    7 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   TRP   1           HT1      TRP   1  44.153   9.454  15.391
    2    H2   TRP   1           HT2      TRP   1  44.060   7.950  16.177
    3    H3   TRP   1           HT3      TRP   1  42.827   9.102  16.386
    4    HA   TRP   1           HA       TRP   1  43.350   8.390  13.657
    5    HB2  TRP   1           HB2      TRP   1  42.160   6.220  13.847
    6    HB3  TRP   1           HB1      TRP   1  43.716   6.202  14.710
    7    HD1  TRP   1           HD1      TRP   1  39.971   6.026  15.253
    8    HE1  TRP   1           HE1      TRP   1  39.452   5.491  17.745
    9    HE3  TRP   1           HE3      TRP   1  44.682   6.544  17.188
   10    HZ2  TRP   1           HZ2      TRP   1  40.911   5.319  20.220
   11    HZ3  TRP   1           HZ3      TRP   1  45.096   6.190  19.618
   12    HH2  TRP   1           HH2      TRP   1  43.216   5.579  21.135
   13    H    LEU   2           HN       LEU   2  41.752   9.298  12.547
   14    HA   LEU   2           HA       LEU   2  39.528  10.539  13.931
   15    HB2  LEU   2           HB2      LEU   2  39.698  10.029  10.943
   16    HB3  LEU   2           HB1      LEU   2  38.874  11.358  11.795
   17    HG   LEU   2           HG       LEU   2  41.889  10.894  11.667
   18   HD11  LEU   2          HD11      LEU   2  40.756  11.753   9.577
   19   HD12  LEU   2          HD12      LEU   2  41.926  12.894  10.285
   20   HD13  LEU   2          HD13      LEU   2  40.180  13.146  10.523
   21   HD21  LEU   2          HD21      LEU   2  40.157  12.926  13.137
   22   HD22  LEU   2          HD22      LEU   2  41.859  13.258  12.735
   23   HD23  LEU   2          HD23      LEU   2  41.447  11.893  13.797
   24    H    ARG   3           HN       ARG   3  39.420   8.208  11.230
   25    HA   ARG   3           HA       ARG   3  37.451   6.532  12.697
   26    HB2  ARG   3           HB2      ARG   3  36.149   8.355  11.494
   27    HB3  ARG   3           HB1      ARG   3  36.791   7.707   9.966
   28    HG2  ARG   3           HG2      ARG   3  35.781   5.520  10.423
   29    HG3  ARG   3           HG1      ARG   3  35.213   6.086  12.012
   30    HD2  ARG   3           HD2      ARG   3  33.343   6.248  10.492
   31    HD3  ARG   3           HD1      ARG   3  33.921   7.905  10.788
   32    HE   ARG   3           HE       ARG   3  35.261   6.872   8.483
   33   HH11  ARG   3          HH11      ARG   3  33.026   9.117   9.372
   34   HH12  ARG   3          HH12      ARG   3  32.079   9.055   7.924
   35   HH21  ARG   3          HH21      ARG   3  33.664   6.226   6.694
   36   HH22  ARG   3          HH22      ARG   3  32.441   7.419   6.408
   37    H    ARG   4           HN       ARG   4  39.851   7.185  10.361
   38    HA   ARG   4           HA       ARG   4  40.442   4.370  10.020
   39    HB2  ARG   4           HB2      ARG   4  38.443   4.912   8.398
   40    HB3  ARG   4           HB1      ARG   4  39.666   5.765   7.432
   41    HG2  ARG   4           HG2      ARG   4  41.038   3.676   7.367
   42    HG3  ARG   4           HG1      ARG   4  39.767   2.834   8.286
   43    HD2  ARG   4           HD2      ARG   4  39.332   4.206   5.598
   44    HD3  ARG   4           HD1      ARG   4  39.606   2.460   5.806
   45    HE   ARG   4           HE       ARG   4  37.113   3.853   6.307
   46   HH11  ARG   4          HH11      ARG   4  39.154   1.205   7.137
   47   HH12  ARG   4          HH12      ARG   4  37.894   0.301   7.907
   48   HH21  ARG   4          HH21      ARG   4  35.473   2.731   7.397
   49   HH22  ARG   4          HH22      ARG   4  35.810   1.164   8.054
   50    H    ILE   5           HN       ILE   5  41.340   7.355  10.525
   51    HA   ILE   5           HA       ILE   5  43.319   8.529  10.251
   52    HB   ILE   5           HB       ILE   5  44.530   5.995   9.068
   53   HG12  ILE   5          HG12      ILE   5  44.057   6.740  11.992
   54   HG13  ILE   5          HG11      ILE   5  43.319   5.377  11.117
   55   HG21  ILE   5          HG21      ILE   5  45.785   8.247   9.118
   56   HG22  ILE   5          HG22      ILE   5  46.600   6.871   9.896
   57   HG23  ILE   5          HG23      ILE   5  45.773   8.095  10.890
   58   HD11  ILE   5           HD1      ILE   5  45.765   4.607  10.653
   59   HD12  ILE   5           HD2      ILE   5  45.127   4.393  12.301
   60   HD13  ILE   5           HD3      ILE   5  46.218   5.751  11.941
   61    H    GLY   6           HN       GLY   6  43.251  10.085   8.771
   62    HA2  GLY   6           HA1      GLY   6  43.583  11.114   6.717
   63    HA3  GLY   6           HA2      GLY   6  44.207   9.578   6.084
   64    H    LYS   7           HN       LYS   7  41.035  10.567   7.434
   65    HA   LYS   7           HA       LYS   7  39.555   8.991   5.550
   66    HB2  LYS   7           HB2      LYS   7  38.634   9.716   7.714
   67    HB3  LYS   7           HB1      LYS   7  38.690  11.413   7.178
   68    HG2  LYS   7           HG2      LYS   7  37.028  11.049   5.496
   69    HG3  LYS   7           HG1      LYS   7  37.170   9.279   5.625
   70    HD2  LYS   7           HD2      LYS   7  35.125  10.075   6.763
   71    HD3  LYS   7           HD1      LYS   7  36.266   9.377   7.935
   72    HE2  LYS   7           HE2      LYS   7  36.924  11.518   8.743
   73    HE3  LYS   7           HE1      LYS   7  36.223  12.358   7.337
   74    HZ1  LYS   7           HZ1      LYS   7  34.353  10.740   8.847
   75    HZ2  LYS   7           HZ2      LYS   7  34.188  12.317   8.237
   76    HZ3  LYS   7           HZ3      LYS   7  34.992  12.052   9.709
   77    H    GLY   8           HN       GLY   8  39.134  12.525   5.799
   78    HA2  GLY   8           HA1      GLY   8  38.486  12.711   2.987
   79    HA3  GLY   8           HA2      GLY   8  38.700  14.063   4.118
   80    H    VAL   9           HN       VAL   9  39.705  13.133   1.259
   81    HA   VAL   9           HA       VAL   9  42.588  13.113   1.545
   82    HB   VAL   9           HB       VAL   9  40.878  13.780  -0.896
   83   HG11  VAL   9          HG11      VAL   9  43.128  14.578  -1.261
   84   HG12  VAL   9          HG12      VAL   9  43.009  13.008  -2.087
   85   HG13  VAL   9          HG13      VAL   9  43.830  13.125  -0.513
   86   HG21  VAL   9          HG21      VAL   9  42.191  11.178   0.006
   87   HG22  VAL   9          HG22      VAL   9  41.271  11.420  -1.499
   88   HG23  VAL   9          HG23      VAL   9  40.447  11.528   0.075
   89    H    LYS  10           HN       LYS  10  41.149  15.498  -0.623
   90    HA   LYS  10           HA       LYS  10  41.591  17.794   1.045
   91    HB2  LYS  10           HB2      LYS  10  43.961  17.214   0.843
   92    HB3  LYS  10           HB1      LYS  10  43.812  17.083  -0.921
   93    HG2  LYS  10           HG2      LYS  10  44.847  19.237  -0.184
   94    HG3  LYS  10           HG1      LYS  10  43.350  19.485  -1.105
   95    HD2  LYS  10           HD2      LYS  10  42.106  20.070   0.832
   96    HD3  LYS  10           HD1      LYS  10  43.289  19.324   1.932
   97    HE2  LYS  10           HE2      LYS  10  43.355  21.857   1.885
   98    HE3  LYS  10           HE1      LYS  10  44.904  21.078   1.488
   99    HZ1  LYS  10           HZ1      LYS  10  44.654  21.551  -0.755
  100    HZ2  LYS  10           HZ2      LYS  10  44.055  22.959  -0.014
  101    HZ3  LYS  10           HZ3      LYS  10  42.980  21.801  -0.638
  102    H    ILE  11           HN       ILE  11  40.934  16.182  -1.921
  103    HA   ILE  11           HA       ILE  11  39.670  18.689  -3.008
  104    HB   ILE  11           HB       ILE  11  41.106  16.646  -4.747
  105   HG12  ILE  11          HG12      ILE  11  42.131  19.311  -3.662
  106   HG13  ILE  11          HG11      ILE  11  42.771  17.698  -3.267
  107   HG21  ILE  11          HG21      ILE  11  40.825  18.270  -6.490
  108   HG22  ILE  11          HG22      ILE  11  40.372  19.546  -5.335
  109   HG23  ILE  11          HG23      ILE  11  39.256  18.198  -5.658
  110   HD11  ILE  11           HD1      ILE  11  43.137  17.432  -5.833
  111   HD12  ILE  11           HD2      ILE  11  44.244  18.504  -4.944
  112   HD13  ILE  11           HD3      ILE  11  42.916  19.197  -5.903
  113    H    ILE  12           HN       ILE  12  39.961  15.129  -3.169
  114    HA   ILE  12           HA       ILE  12  37.245  14.939  -4.372
  115    HB   ILE  12           HB       ILE  12  39.276  12.816  -3.596
  116   HG12  ILE  12          HG12      ILE  12  38.573  13.891  -6.372
  117   HG13  ILE  12          HG11      ILE  12  39.963  14.457  -5.420
  118   HG21  ILE  12          HG21      ILE  12  36.586  12.716  -5.020
  119   HG22  ILE  12          HG22      ILE  12  37.178  11.701  -3.685
  120   HG23  ILE  12          HG23      ILE  12  37.815  11.468  -5.320
  121   HD11  ILE  12           HD1      ILE  12  39.555  11.815  -6.824
  122   HD12  ILE  12           HD2      ILE  12  40.492  11.800  -5.312
  123   HD13  ILE  12           HD3      ILE  12  41.022  12.804  -6.678
  124    H    GLY  13           HN       GLY  13  38.456  12.494  -2.142
  125    HA2  GLY  13           HA1      GLY  13  36.068  12.495  -0.579
  126    HA3  GLY  13           HA2      GLY  13  37.629  11.792  -0.091
  127    H    GLY  14           HN       GLY  14  38.422  14.689  -1.009
  128    HA2  GLY  14           HA1      GLY  14  38.528  15.817   1.722
  129    HA3  GLY  14           HA2      GLY  14  39.313  16.458   0.260
  130    H    ALA  15           HN       ALA  15  37.254  16.673  -1.557
  131    HA   ALA  15           HA       ALA  15  35.709  18.918  -0.311
  132    HB1  ALA  15           HB1      ALA  15  35.057  19.479  -2.542
  133    HB2  ALA  15           HB2      ALA  15  35.562  17.892  -3.167
  134    HB3  ALA  15           HB3      ALA  15  36.784  19.066  -2.613
  135    H    ALA  16           HN       ALA  16  35.412  16.056   0.397
  136    HA   ALA  16           HA       ALA  16  33.639  14.741   1.072
  137    HB1  ALA  16           HB1      ALA  16  31.449  15.563   1.119
  138    HB2  ALA  16           HB2      ALA  16  31.635  16.460  -0.407
  139    HB3  ALA  16           HB3      ALA  16  32.404  17.063   1.080
  140    H    LEU  17           HN       LEU  17  35.185  14.012  -1.061
  141    HA   LEU  17           HA       LEU  17  35.143  12.580  -2.894
  142    HB2  LEU  17           HB2      LEU  17  32.183  12.138  -2.336
  143    HB3  LEU  17           HB1      LEU  17  33.290  11.057  -3.200
  144    HG   LEU  17           HG       LEU  17  33.849  11.805  -0.304
  145   HD11  LEU  17          HD11      LEU  17  32.631   9.689   0.327
  146   HD12  LEU  17          HD12      LEU  17  31.962   9.645  -1.321
  147   HD13  LEU  17          HD13      LEU  17  31.565  10.998  -0.235
  148   HD21  LEU  17          HD21      LEU  17  35.526  10.556  -1.804
  149   HD22  LEU  17          HD22      LEU  17  34.361   9.216  -1.834
  150   HD23  LEU  17          HD23      LEU  17  35.085   9.732  -0.292
  151    H    ASP  18           HN       ASP  18  34.464  15.449  -3.147
  152    HA   ASP  18           HA       ASP  18  33.699  16.915  -4.777
  153    HB2  ASP  18           HB2      ASP  18  34.089  14.398  -6.441
  154    HB3  ASP  18           HB1      ASP  18  33.693  15.983  -7.145
  155    H    HIS  19           HN       HIS  19  31.652  16.480  -3.307
  156    HA   HIS  19           HA       HIS  19  29.341  16.220  -3.209
  157    HB2  HIS  19           HB2      HIS  19  29.492  16.910  -6.168
  158    HB3  HIS  19           HB1      HIS  19  28.112  17.166  -5.073
  159    HD1  HIS  19           HD1      HIS  19  29.200  18.499  -2.667
  160    HD2  HIS  19           HD2      HIS  19  30.622  19.403  -6.518
  161    HE1  HIS  19           HE1      HIS  19  30.323  20.791  -2.544
  162    H    LEU  20           HN       LEU  20  30.616  13.782  -3.442
  163    HA   LEU  20           HA       LEU  20  30.246  11.578  -4.068
  164    HB2  LEU  20           HB2      LEU  20  27.468  12.786  -4.287
  165    HB3  LEU  20           HB1      LEU  20  27.758  11.058  -4.601
  166    HG   LEU  20           HG       LEU  20  28.675  10.752  -2.359
  167   HD11  LEU  20          HD11      LEU  20  28.394  13.779  -2.219
  168   HD12  LEU  20          HD12      LEU  20  29.828  12.778  -1.887
  169   HD13  LEU  20          HD13      LEU  20  28.467  12.783  -0.745
  170   HD21  LEU  20          HD21      LEU  20  26.221  10.621  -2.624
  171   HD22  LEU  20          HD22      LEU  20  26.086  12.372  -2.325
  172   HD23  LEU  20          HD23      LEU  20  26.641  11.287  -1.027
  Start of MODEL    2
    1    H1   TRP   1           HT1      TRP   1  32.149  -2.154  -0.529
    2    H2   TRP   1           HT2      TRP   1  33.707  -2.142  -1.207
    3    H3   TRP   1           HT3      TRP   1  32.530  -1.044  -1.752
    4    HA   TRP   1           HA       TRP   1  32.874   0.376  -0.128
    5    HB2  TRP   1           HB2      TRP   1  33.516  -1.871   1.812
    6    HB3  TRP   1           HB1      TRP   1  32.959  -0.220   2.176
    7    HD1  TRP   1           HD1      TRP   1  30.537   0.113   0.318
    8    HE1  TRP   1           HE1      TRP   1  28.367  -1.292   0.596
    9    HE3  TRP   1           HE3      TRP   1  32.472  -3.856   2.908
   10    HZ2  TRP   1           HZ2      TRP   1  27.608  -3.801   1.791
   11    HZ3  TRP   1           HZ3      TRP   1  31.007  -5.744   3.607
   12    HH2  TRP   1           HH2      TRP   1  28.578  -5.720   3.051
   13    H    LEU   2           HN       LEU   2  34.655   1.523  -0.453
   14    HA   LEU   2           HA       LEU   2  37.181   0.473  -1.123
   15    HB2  LEU   2           HB2      LEU   2  36.294   3.116   0.068
   16    HB3  LEU   2           HB1      LEU   2  38.014   2.794  -0.252
   17    HG   LEU   2           HG       LEU   2  37.461   2.288  -2.628
   18   HD11  LEU   2          HD11      LEU   2  34.654   2.965  -1.665
   19   HD12  LEU   2          HD12      LEU   2  35.201   1.519  -2.549
   20   HD13  LEU   2          HD13      LEU   2  35.117   3.089  -3.379
   21   HD21  LEU   2          HD21      LEU   2  37.027   4.608  -3.294
   22   HD22  LEU   2          HD22      LEU   2  38.094   4.593  -1.868
   23   HD23  LEU   2          HD23      LEU   2  36.365   4.975  -1.684
   24    H    ARG   3           HN       ARG   3  37.006   2.418   1.803
   25    HA   ARG   3           HA       ARG   3  37.901   0.173   3.523
   26    HB2  ARG   3           HB2      ARG   3  39.970   1.128   2.360
   27    HB3  ARG   3           HB1      ARG   3  39.642   2.652   3.218
   28    HG2  ARG   3           HG2      ARG   3  39.790   1.501   5.385
   29    HG3  ARG   3           HG1      ARG   3  40.033  -0.059   4.562
   30    HD2  ARG   3           HD2      ARG   3  41.880   2.365   4.453
   31    HD3  ARG   3           HD1      ARG   3  42.205   0.816   5.266
   32    HE   ARG   3           HE       ARG   3  42.658   1.333   2.490
   33   HH11  ARG   3          HH11      ARG   3  42.111  -0.327   0.923
   34   HH12  ARG   3          HH12      ARG   3  42.047  -1.959   1.500
   35   HH21  ARG   3          HH21      ARG   3  42.214  -1.062   4.845
   36   HH22  ARG   3          HH22      ARG   3  42.106  -2.375   3.721
   37    H    ARG   4           HN       ARG   4  36.522   3.201   2.849
   38    HA   ARG   4           HA       ARG   4  35.315   3.361   5.486
   39    HB2  ARG   4           HB2      ARG   4  37.716   4.383   5.705
   40    HB3  ARG   4           HB1      ARG   4  37.067   5.738   4.756
   41    HG2  ARG   4           HG2      ARG   4  35.248   6.025   6.441
   42    HG3  ARG   4           HG1      ARG   4  35.941   4.693   7.397
   43    HD2  ARG   4           HD2      ARG   4  38.101   5.987   7.519
   44    HD3  ARG   4           HD1      ARG   4  37.279   7.345   6.716
   45    HE   ARG   4           HE       ARG   4  36.165   7.804   8.755
   46   HH11  ARG   4          HH11      ARG   4  37.301   4.556   8.673
   47   HH12  ARG   4          HH12      ARG   4  37.114   4.305  10.377
   48   HH21  ARG   4          HH21      ARG   4  36.044   7.542  11.006
   49   HH22  ARG   4          HH22      ARG   4  36.402   5.995  11.698
   50    H    ILE   5           HN       ILE   5  35.386   3.715   2.236
   51    HA   ILE   5           HA       ILE   5  34.011   4.768   0.700
   52    HB   ILE   5           HB       ILE   5  32.078   5.319   2.993
   53   HG12  ILE   5          HG12      ILE   5  32.542   2.708   1.473
   54   HG13  ILE   5          HG11      ILE   5  32.887   2.988   3.196
   55   HG21  ILE   5          HG21      ILE   5  31.698   6.149   0.569
   56   HG22  ILE   5          HG22      ILE   5  30.396   5.187   1.301
   57   HG23  ILE   5          HG23      ILE   5  31.510   4.435   0.133
   58   HD11  ILE   5           HD1      ILE   5  30.383   3.647   3.402
   59   HD12  ILE   5           HD2      ILE   5  30.761   1.922   3.184
   60   HD13  ILE   5           HD3      ILE   5  30.189   2.887   1.804
   61    H    GLY   6           HN       GLY   6  35.985   6.387   1.314
   62    HA2  GLY   6           HA1      GLY   6  35.230   8.939   0.646
   63    HA3  GLY   6           HA2      GLY   6  35.048   8.940   2.412
   64    H    LYS   7           HN       LYS   7  37.446   6.868   0.968
   65    HA   LYS   7           HA       LYS   7  39.581   7.877   2.501
   66    HB2  LYS   7           HB2      LYS   7  39.471   5.714   1.140
   67    HB3  LYS   7           HB1      LYS   7  39.897   6.695  -0.283
   68    HG2  LYS   7           HG2      LYS   7  41.901   7.552   1.085
   69    HG3  LYS   7           HG1      LYS   7  41.532   6.255   2.247
   70    HD2  LYS   7           HD2      LYS   7  42.090   5.847  -0.726
   71    HD3  LYS   7           HD1      LYS   7  43.253   5.552   0.588
   72    HE2  LYS   7           HE2      LYS   7  41.432   3.975   1.580
   73    HE3  LYS   7           HE1      LYS   7  40.683   4.060  -0.034
   74    HZ1  LYS   7           HZ1      LYS   7  42.171   2.625  -0.785
   75    HZ2  LYS   7           HZ2      LYS   7  42.820   2.471   0.778
   76    HZ3  LYS   7           HZ3      LYS   7  43.457   3.619  -0.299
   77    H    GLY   8           HN       GLY   8  38.822   8.581  -0.944
   78    HA2  GLY   8           HA1      GLY   8  39.535  10.320  -2.297
   79    HA3  GLY   8           HA2      GLY   8  39.264  11.329  -0.863
   80    H    VAL   9           HN       VAL   9  40.929  12.714  -0.888
   81    HA   VAL   9           HA       VAL   9  43.642  11.562  -0.452
   82    HB   VAL   9           HB       VAL   9  43.172  13.712  -2.563
   83   HG11  VAL   9          HG11      VAL   9  45.555  13.201  -3.102
   84   HG12  VAL   9          HG12      VAL   9  45.600  12.057  -1.739
   85   HG13  VAL   9          HG13      VAL   9  45.359  13.794  -1.435
   86   HG21  VAL   9          HG21      VAL   9  43.651  10.713  -2.832
   87   HG22  VAL   9          HG22      VAL   9  43.870  11.870  -4.166
   88   HG23  VAL   9          HG23      VAL   9  42.261  11.642  -3.440
   89    H    LYS  10           HN       LYS  10  41.902  14.656  -1.064
   90    HA   LYS  10           HA       LYS  10  42.487  15.594   1.637
   91    HB2  LYS  10           HB2      LYS  10  44.702  15.917   0.494
   92    HB3  LYS  10           HB1      LYS  10  43.896  17.000  -0.666
   93    HG2  LYS  10           HG2      LYS  10  43.224  18.509   1.137
   94    HG3  LYS  10           HG1      LYS  10  43.883  17.393   2.358
   95    HD2  LYS  10           HD2      LYS  10  46.150  17.655   1.302
   96    HD3  LYS  10           HD1      LYS  10  45.457  18.882   0.213
   97    HE2  LYS  10           HE2      LYS  10  44.690  20.142   2.289
   98    HE3  LYS  10           HE1      LYS  10  45.664  19.003   3.249
   99    HZ1  LYS  10           HZ1      LYS  10  47.077  20.793   2.842
  100    HZ2  LYS  10           HZ2      LYS  10  46.575  20.968   1.228
  101    HZ3  LYS  10           HZ3      LYS  10  47.547  19.650   1.680
  102    H    ILE  11           HN       ILE  11  42.298  17.404  -1.457
  103    HA   ILE  11           HA       ILE  11  40.133  19.026  -0.403
  104    HB   ILE  11           HB       ILE  11  39.953  19.899  -2.730
  105   HG12  ILE  11          HG12      ILE  11  42.160  17.849  -3.239
  106   HG13  ILE  11          HG11      ILE  11  40.530  17.844  -3.953
  107   HG21  ILE  11          HG21      ILE  11  41.652  20.720  -0.983
  108   HG22  ILE  11          HG22      ILE  11  42.051  21.082  -2.677
  109   HG23  ILE  11          HG23      ILE  11  42.864  19.738  -1.839
  110   HD11  ILE  11           HD1      ILE  11  41.883  18.809  -5.644
  111   HD12  ILE  11           HD2      ILE  11  42.822  19.766  -4.476
  112   HD13  ILE  11           HD3      ILE  11  41.140  20.218  -4.851
  113    H    ILE  12           HN       ILE  12  40.055  15.904  -1.106
  114    HA   ILE  12           HA       ILE  12  37.771  15.710  -2.897
  115    HB   ILE  12           HB       ILE  12  38.877  13.860  -0.772
  116   HG12  ILE  12          HG12      ILE  12  40.572  14.313  -2.453
  117   HG13  ILE  12          HG11      ILE  12  39.966  12.664  -2.708
  118   HG21  ILE  12          HG21      ILE  12  36.784  12.893  -1.154
  119   HG22  ILE  12          HG22      ILE  12  37.691  12.110  -2.464
  120   HG23  ILE  12          HG23      ILE  12  36.663  13.520  -2.812
  121   HD11  ILE  12           HD1      ILE  12  39.496  15.151  -4.377
  122   HD12  ILE  12           HD2      ILE  12  38.309  13.827  -4.416
  123   HD13  ILE  12           HD3      ILE  12  39.991  13.526  -4.898
  124    H    GLY  13           HN       GLY  13  37.710  14.266   0.333
  125    HA2  GLY  13           HA1      GLY  13  34.992  15.018   0.819
  126    HA3  GLY  13           HA2      GLY  13  36.164  14.457   2.034
  127    H    GLY  14           HN       GLY  14  37.760  16.724   0.457
  128    HA2  GLY  14           HA1      GLY  14  37.262  18.787   2.541
  129    HA3  GLY  14           HA2      GLY  14  38.557  18.774   1.325
  130    H    ALA  15           HN       ALA  15  36.949  18.276  -0.984
  131    HA   ALA  15           HA       ALA  15  35.745  21.011  -1.267
  132    HB1  ALA  15           HB1      ALA  15  36.228  18.813  -3.322
  133    HB2  ALA  15           HB2      ALA  15  37.294  20.211  -3.029
  134    HB3  ALA  15           HB3      ALA  15  35.651  20.459  -3.662
  135    H    ALA  16           HN       ALA  16  34.684  18.786   0.366
  136    HA   ALA  16           HA       ALA  16  32.541  18.122   0.933
  137    HB1  ALA  16           HB1      ALA  16  30.641  19.012  -0.096
  138    HB2  ALA  16           HB2      ALA  16  31.386  19.028  -1.712
  139    HB3  ALA  16           HB3      ALA  16  31.867  20.236  -0.497
  140    H    LEU  17           HN       LEU  17  34.570  16.534  -0.396
  141    HA   LEU  17           HA       LEU  17  34.737  14.490  -1.498
  142    HB2  LEU  17           HB2      LEU  17  32.758  14.260   0.373
  143    HB3  LEU  17           HB1      LEU  17  31.833  13.824  -1.077
  144    HG   LEU  17           HG       LEU  17  34.464  12.532  -0.206
  145   HD11  LEU  17          HD11      LEU  17  33.001  10.557   0.263
  146   HD12  LEU  17          HD12      LEU  17  31.575  11.566  -0.075
  147   HD13  LEU  17          HD13      LEU  17  32.627  11.947   1.309
  148   HD21  LEU  17          HD21      LEU  17  34.161  12.487  -2.644
  149   HD22  LEU  17          HD22      LEU  17  32.494  11.891  -2.449
  150   HD23  LEU  17          HD23      LEU  17  33.868  10.864  -1.978
  151    H    ASP  18           HN       ASP  18  34.022  16.822  -3.065
  152    HA   ASP  18           HA       ASP  18  33.337  17.346  -5.212
  153    HB2  ASP  18           HB2      ASP  18  34.825  15.437  -5.760
  154    HB3  ASP  18           HB1      ASP  18  33.438  14.331  -5.622
  155    H    HIS  19           HN       HIS  19  31.707  14.169  -5.097
  156    HA   HIS  19           HA       HIS  19  29.294  15.030  -6.227
  157    HB2  HIS  19           HB2      HIS  19  29.602  12.888  -4.087
  158    HB3  HIS  19           HB1      HIS  19  28.293  13.016  -5.286
  159    HD1  HIS  19           HD1      HIS  19  29.780  13.591  -7.865
  160    HD2  HIS  19           HD2      HIS  19  31.205  10.841  -5.020
  161    HE1  HIS  19           HE1      HIS  19  31.321  11.961  -9.088
  162    H    LEU  20           HN       LEU  20  29.777  14.408  -2.713
  163    HA   LEU  20           HA       LEU  20  27.347  15.817  -2.006
  164    HB2  LEU  20           HB2      LEU  20  29.744  14.773  -0.461
  165    HB3  LEU  20           HB1      LEU  20  28.484  15.731   0.352
  166    HG   LEU  20           HG       LEU  20  26.761  14.125  -0.380
  167   HD11  LEU  20          HD11      LEU  20  27.579  13.314  -2.474
  168   HD12  LEU  20          HD12      LEU  20  27.643  11.912  -1.383
  169   HD13  LEU  20          HD13      LEU  20  29.132  12.811  -1.765
  170   HD21  LEU  20          HD21      LEU  20  27.929  13.729   1.761
  171   HD22  LEU  20          HD22      LEU  20  29.192  12.805   0.913
  172   HD23  LEU  20          HD23      LEU  20  27.526  12.182   0.979
  Start of MODEL    3
    1    H1   TRP   1           HT1      TRP   1  32.848  17.939  15.211
    2    H2   TRP   1           HT2      TRP   1  34.218  17.206  14.521
    3    H3   TRP   1           HT3      TRP   1  32.706  17.082  13.756
    4    HA   TRP   1           HA       TRP   1  33.584  18.697  12.506
    5    HB2  TRP   1           HB2      TRP   1  32.573  20.238  14.930
    6    HB3  TRP   1           HB1      TRP   1  32.718  20.861  13.269
    7    HD1  TRP   1           HD1      TRP   1  30.989  17.881  15.066
    8    HE1  TRP   1           HE1      TRP   1  28.679  17.453  13.948
    9    HE3  TRP   1           HE3      TRP   1  31.199  21.437  11.388
   10    HZ2  TRP   1           HZ2      TRP   1  27.159  18.529  11.752
   11    HZ3  TRP   1           HZ3      TRP   1  29.309  21.718   9.793
   12    HH2  TRP   1           HH2      TRP   1  27.290  20.269   9.972
   13    H    LEU   2           HN       LEU   2  35.853  18.169  12.639
   14    HA   LEU   2           HA       LEU   2  37.520  19.437  14.658
   15    HB2  LEU   2           HB2      LEU   2  38.283  18.279  11.951
   16    HB3  LEU   2           HB1      LEU   2  39.392  18.625  13.295
   17    HG   LEU   2           HG       LEU   2  37.025  16.712  13.526
   18   HD11  LEU   2          HD11      LEU   2  39.952  16.095  12.930
   19   HD12  LEU   2          HD12      LEU   2  38.594  15.904  11.795
   20   HD13  LEU   2          HD13      LEU   2  38.685  14.888  13.255
   21   HD21  LEU   2          HD21      LEU   2  38.568  15.834  15.432
   22   HD22  LEU   2          HD22      LEU   2  37.726  17.371  15.713
   23   HD23  LEU   2          HD23      LEU   2  39.447  17.371  15.257
   24    H    ARG   3           HN       ARG   3  37.895  19.828  11.139
   25    HA   ARG   3           HA       ARG   3  37.720  22.798  11.423
   26    HB2  ARG   3           HB2      ARG   3  40.134  22.075  11.770
   27    HB3  ARG   3           HB1      ARG   3  40.101  21.420  10.115
   28    HG2  ARG   3           HG2      ARG   3  39.566  23.632   9.208
   29    HG3  ARG   3           HG1      ARG   3  39.462  24.311  10.851
   30    HD2  ARG   3           HD2      ARG   3  41.651  24.857   9.931
   31    HD3  ARG   3           HD1      ARG   3  41.866  23.639  11.212
   32    HE   ARG   3           HE       ARG   3  41.581  22.234   8.767
   33   HH11  ARG   3          HH11      ARG   3  43.640  21.046   8.684
   34   HH12  ARG   3          HH12      ARG   3  45.070  22.014   8.545
   35   HH21  ARG   3          HH21      ARG   3  43.445  24.990   9.273
   36   HH22  ARG   3          HH22      ARG   3  44.959  24.247   8.881
   37    H    ARG   4           HN       ARG   4  37.438  19.830   9.744
   38    HA   ARG   4           HA       ARG   4  36.046  21.201   7.504
   39    HB2  ARG   4           HB2      ARG   4  38.381  19.280   7.113
   40    HB3  ARG   4           HB1      ARG   4  37.266  19.800   5.826
   41    HG2  ARG   4           HG2      ARG   4  37.892  22.205   6.409
   42    HG3  ARG   4           HG1      ARG   4  39.175  21.536   7.445
   43    HD2  ARG   4           HD2      ARG   4  40.057  20.282   5.452
   44    HD3  ARG   4           HD1      ARG   4  38.847  21.110   4.444
   45    HE   ARG   4           HE       ARG   4  40.237  23.142   5.806
   46   HH11  ARG   4          HH11      ARG   4  42.467  23.660   5.357
   47   HH12  ARG   4          HH12      ARG   4  43.131  23.092   3.861
   48   HH21  ARG   4          HH21      ARG   4  40.417  21.065   3.122
   49   HH22  ARG   4          HH22      ARG   4  41.970  21.623   2.595
   50    H    ILE   5           HN       ILE   5  35.830  19.227   9.956
   51    HA   ILE   5           HA       ILE   5  34.471  17.427  10.470
   52    HB   ILE   5           HB       ILE   5  33.250  17.678   7.688
   53   HG12  ILE   5          HG12      ILE   5  32.644  19.281  10.217
   54   HG13  ILE   5          HG11      ILE   5  33.353  19.925   8.720
   55   HG21  ILE   5          HG21      ILE   5  31.947  16.960  10.345
   56   HG22  ILE   5          HG22      ILE   5  32.683  15.736   9.284
   57   HG23  ILE   5          HG23      ILE   5  31.311  16.705   8.703
   58   HD11  ILE   5           HD1      ILE   5  31.221  18.993   7.543
   59   HD12  ILE   5           HD2      ILE   5  31.049  20.461   8.535
   60   HD13  ILE   5           HD3      ILE   5  30.538  18.886   9.184
   61    H    GLY   6           HN       GLY   6  36.732  16.421  10.141
   62    HA2  GLY   6           HA1      GLY   6  37.765  14.404   9.633
   63    HA3  GLY   6           HA2      GLY   6  36.304  13.903   8.759
   64    H    LYS   7           HN       LYS   7  39.453  15.410   8.560
   65    HA   LYS   7           HA       LYS   7  39.354  16.395   5.898
   66    HB2  LYS   7           HB2      LYS   7  41.804  16.146   5.917
   67    HB3  LYS   7           HB1      LYS   7  41.226  16.808   7.466
   68    HG2  LYS   7           HG2      LYS   7  41.216  14.420   8.360
   69    HG3  LYS   7           HG1      LYS   7  42.062  13.940   6.869
   70    HD2  LYS   7           HD2      LYS   7  43.897  15.496   7.373
   71    HD3  LYS   7           HD1      LYS   7  43.041  16.064   8.828
   72    HE2  LYS   7           HE2      LYS   7  44.844  14.316   9.255
   73    HE3  LYS   7           HE1      LYS   7  43.231  13.903   9.884
   74    HZ1  LYS   7           HZ1      LYS   7  44.705  12.299   8.314
   75    HZ2  LYS   7           HZ2      LYS   7  43.734  13.071   7.153
   76    HZ3  LYS   7           HZ3      LYS   7  43.014  12.221   8.437
   77    H    GLY   8           HN       GLY   8  41.321  15.119   4.439
   78    HA2  GLY   8           HA1      GLY   8  41.149  12.329   4.190
   79    HA3  GLY   8           HA2      GLY   8  39.794  12.981   3.248
   80    H    VAL   9           HN       VAL   9  40.285  12.906   1.172
   81    HA   VAL   9           HA       VAL   9  42.976  12.918   0.172
   82    HB   VAL   9           HB       VAL   9  40.458  13.664  -1.379
   83   HG11  VAL   9          HG11      VAL   9  43.185  12.523  -2.130
   84   HG12  VAL   9          HG12      VAL   9  42.430  14.028  -2.708
   85   HG13  VAL   9          HG13      VAL   9  41.779  12.454  -3.218
   86   HG21  VAL   9          HG21      VAL   9  40.245  11.235  -1.837
   87   HG22  VAL   9          HG22      VAL   9  40.097  11.575  -0.096
   88   HG23  VAL   9          HG23      VAL   9  41.614  10.911  -0.748
   89    H    LYS  10           HN       LYS  10  41.040  15.411   1.395
   90    HA   LYS  10           HA       LYS  10  41.446  17.683   1.571
   91    HB2  LYS  10           HB2      LYS  10  43.927  16.881   1.431
   92    HB3  LYS  10           HB1      LYS  10  43.865  17.454  -0.252
   93    HG2  LYS  10           HG2      LYS  10  42.937  19.673   0.735
   94    HG3  LYS  10           HG1      LYS  10  43.505  19.059   2.305
   95    HD2  LYS  10           HD2      LYS  10  45.787  18.814   1.399
   96    HD3  LYS  10           HD1      LYS  10  45.227  19.388  -0.191
   97    HE2  LYS  10           HE2      LYS  10  44.630  21.563   0.751
   98    HE3  LYS  10           HE1      LYS  10  45.028  21.000   2.392
   99    HZ1  LYS  10           HZ1      LYS  10  47.315  20.695   1.703
  100    HZ2  LYS  10           HZ2      LYS  10  46.830  22.294   1.397
  101    HZ3  LYS  10           HZ3      LYS  10  46.947  21.179   0.121
  102    H    ILE  11           HN       ILE  11  41.266  16.030  -1.445
  103    HA   ILE  11           HA       ILE  11  40.345  18.551  -2.830
  104    HB   ILE  11           HB       ILE  11  41.306  15.992  -4.159
  105   HG12  ILE  11          HG12      ILE  11  42.893  18.494  -3.412
  106   HG13  ILE  11          HG11      ILE  11  43.146  16.852  -2.778
  107   HG21  ILE  11          HG21      ILE  11  39.882  17.755  -5.396
  108   HG22  ILE  11          HG22      ILE  11  41.442  17.341  -6.140
  109   HG23  ILE  11          HG23      ILE  11  41.270  18.853  -5.215
  110   HD11  ILE  11           HD1      ILE  11  44.789  17.069  -4.477
  111   HD12  ILE  11           HD2      ILE  11  43.667  17.898  -5.580
  112   HD13  ILE  11           HD3      ILE  11  43.482  16.155  -5.266
  113    H    ILE  12           HN       ILE  12  39.835  15.012  -2.533
  114    HA   ILE  12           HA       ILE  12  37.151  15.302  -3.803
  115    HB   ILE  12           HB       ILE  12  38.641  12.837  -2.824
  116   HG12  ILE  12          HG12      ILE  12  38.341  13.890  -5.679
  117   HG13  ILE  12          HG11      ILE  12  39.784  14.147  -4.677
  118   HG21  ILE  12          HG21      ILE  12  37.002  11.726  -4.506
  119   HG22  ILE  12          HG22      ILE  12  36.109  13.262  -4.471
  120   HG23  ILE  12          HG23      ILE  12  36.303  12.307  -2.985
  121   HD11  ILE  12           HD1      ILE  12  38.795  11.615  -5.990
  122   HD12  ILE  12           HD2      ILE  12  39.631  11.452  -4.427
  123   HD13  ILE  12           HD3      ILE  12  40.454  12.219  -5.803
  124    H    GLY  13           HN       GLY  13  37.709  12.784  -1.418
  125    HA2  GLY  13           HA1      GLY  13  35.376  13.400   0.088
  126    HA3  GLY  13           HA2      GLY  13  36.754  12.436   0.667
  127    H    GLY  14           HN       GLY  14  38.217  14.993  -0.355
  128    HA2  GLY  14           HA1      GLY  14  38.428  16.260   2.305
  129    HA3  GLY  14           HA2      GLY  14  39.410  16.597   0.865
  130    H    ALA  15           HN       ALA  15  37.530  17.157  -1.094
  131    HA   ALA  15           HA       ALA  15  36.558  19.799  -0.083
  132    HB1  ALA  15           HB1      ALA  15  36.186  18.593  -2.845
  133    HB2  ALA  15           HB2      ALA  15  37.650  19.482  -2.352
  134    HB3  ALA  15           HB3      ALA  15  36.074  20.303  -2.371
  135    H    ALA  16           HN       ALA  16  35.522  17.191   0.863
  136    HA   ALA  16           HA       ALA  16  33.448  16.523   1.644
  137    HB1  ALA  16           HB1      ALA  16  32.819  19.043   1.153
  138    HB2  ALA  16           HB2      ALA  16  31.534  17.839   1.409
  139    HB3  ALA  16           HB3      ALA  16  31.955  18.357  -0.241
  140    H    LEU  17           HN       LEU  17  34.921  15.246  -0.427
  141    HA   LEU  17           HA       LEU  17  34.581  13.647  -2.092
  142    HB2  LEU  17           HB2      LEU  17  32.931  12.950  -0.168
  143    HB3  LEU  17           HB1      LEU  17  31.663  13.519  -1.274
  144    HG   LEU  17           HG       LEU  17  32.970  11.972  -3.048
  145   HD11  LEU  17          HD11      LEU  17  34.795  11.428  -1.379
  146   HD12  LEU  17          HD12      LEU  17  33.973   9.996  -2.037
  147   HD13  LEU  17          HD13      LEU  17  33.578  10.577  -0.402
  148   HD21  LEU  17          HD21      LEU  17  31.483  10.079  -2.407
  149   HD22  LEU  17          HD22      LEU  17  30.626  11.638  -2.338
  150   HD23  LEU  17          HD23      LEU  17  31.179  10.859  -0.838
  151    H    ASP  18           HN       ASP  18  33.914  16.573  -2.563
  152    HA   ASP  18           HA       ASP  18  33.059  17.867  -4.286
  153    HB2  ASP  18           HB2      ASP  18  33.351  15.204  -5.726
  154    HB3  ASP  18           HB1      ASP  18  32.984  16.742  -6.542
  155    H    HIS  19           HN       HIS  19  31.521  14.909  -5.501
  156    HA   HIS  19           HA       HIS  19  29.012  16.056  -5.980
  157    HB2  HIS  19           HB2      HIS  19  29.745  13.201  -5.226
  158    HB3  HIS  19           HB1      HIS  19  28.128  13.685  -5.790
  159    HD1  HIS  19           HD1      HIS  19  27.837  13.250  -8.219
  160    HD2  HIS  19           HD2      HIS  19  31.799  14.307  -7.284
  161    HE1  HIS  19           HE1      HIS  19  29.151  13.295 -10.410
  162    H    LEU  20           HN       LEU  20  30.250  14.568  -2.987
  163    HA   LEU  20           HA       LEU  20  29.404  14.592  -0.834
  164    HB2  LEU  20           HB2      LEU  20  29.436  17.135  -1.549
  165    HB3  LEU  20           HB1      LEU  20  27.668  16.976  -1.552
  166    HG   LEU  20           HG       LEU  20  29.532  16.367   0.791
  167   HD11  LEU  20          HD11      LEU  20  28.506  18.334   1.821
  168   HD12  LEU  20          HD12      LEU  20  27.424  18.542   0.422
  169   HD13  LEU  20          HD13      LEU  20  29.177  18.792   0.238
  170   HD21  LEU  20          HD21      LEU  20  27.220  16.260   2.004
  171   HD22  LEU  20          HD22      LEU  20  27.709  14.857   1.031
  172   HD23  LEU  20          HD23      LEU  20  26.535  16.024   0.379
  Start of MODEL    4
    1    H1   TRP   1           HT1      TRP   1  30.481   6.222  14.195
    2    H2   TRP   1           HT2      TRP   1  30.371   7.258  12.852
    3    H3   TRP   1           HT3      TRP   1  30.784   7.880  14.379
    4    HA   TRP   1           HA       TRP   1  32.757   7.793  13.191
    5    HB2  TRP   1           HB2      TRP   1  34.012   5.977  14.414
    6    HB3  TRP   1           HB1      TRP   1  33.026   7.022  15.465
    7    HD1  TRP   1           HD1      TRP   1  30.675   6.008  16.331
    8    HE1  TRP   1           HE1      TRP   1  29.916   3.560  16.776
    9    HE3  TRP   1           HE3      TRP   1  34.275   3.546  13.650
   10    HZ2  TRP   1           HZ2      TRP   1  30.779   0.911  16.049
   11    HZ3  TRP   1           HZ3      TRP   1  34.289   1.059  13.540
   12    HH2  TRP   1           HH2      TRP   1  32.546  -0.260  14.735
   13    H    LEU   2           HN       LEU   2  32.914   7.438  11.048
   14    HA   LEU   2           HA       LEU   2  32.041   5.063   9.728
   15    HB2  LEU   2           HB2      LEU   2  32.354   7.093   8.468
   16    HB3  LEU   2           HB1      LEU   2  34.055   7.210   8.967
   17    HG   LEU   2           HG       LEU   2  34.662   5.277   7.638
   18   HD11  LEU   2          HD11      LEU   2  32.797   4.171   6.213
   19   HD12  LEU   2          HD12      LEU   2  31.652   4.934   7.342
   20   HD13  LEU   2          HD13      LEU   2  32.846   3.758   7.942
   21   HD21  LEU   2          HD21      LEU   2  34.164   6.092   5.412
   22   HD22  LEU   2          HD22      LEU   2  34.298   7.507   6.483
   23   HD23  LEU   2          HD23      LEU   2  32.694   6.917   5.986
   24    H    ARG   3           HN       ARG   3  35.441   6.095   9.748
   25    HA   ARG   3           HA       ARG   3  36.320   3.495  10.880
   26    HB2  ARG   3           HB2      ARG   3  36.051   3.076   8.424
   27    HB3  ARG   3           HB1      ARG   3  37.184   4.410   8.103
   28    HG2  ARG   3           HG2      ARG   3  38.977   3.264   9.259
   29    HG3  ARG   3           HG1      ARG   3  37.862   2.006   9.846
   30    HD2  ARG   3           HD2      ARG   3  37.482   1.199   7.586
   31    HD3  ARG   3           HD1      ARG   3  38.406   2.555   6.898
   32    HE   ARG   3           HE       ARG   3  40.022   1.024   8.754
   33   HH11  ARG   3          HH11      ARG   3  38.642   1.086   5.595
   34   HH12  ARG   3          HH12      ARG   3  39.876   0.098   4.891
   35   HH21  ARG   3          HH21      ARG   3  41.648  -0.260   7.850
   36   HH22  ARG   3          HH22      ARG   3  41.580  -0.664   6.168
   37    H    ARG   4           HN       ARG   4  36.643   6.793  10.046
   38    HA   ARG   4           HA       ARG   4  39.065   7.025  11.760
   39    HB2  ARG   4           HB2      ARG   4  38.922   8.213   8.956
   40    HB3  ARG   4           HB1      ARG   4  40.249   8.407  10.127
   41    HG2  ARG   4           HG2      ARG   4  40.493   5.873  10.115
   42    HG3  ARG   4           HG1      ARG   4  39.354   5.843   8.746
   43    HD2  ARG   4           HD2      ARG   4  41.620   5.850   7.855
   44    HD3  ARG   4           HD1      ARG   4  40.877   7.432   7.521
   45    HE   ARG   4           HE       ARG   4  42.487   8.409   8.947
   46   HH11  ARG   4          HH11      ARG   4  44.322   6.132   8.358
   47   HH12  ARG   4          HH12      ARG   4  44.734   5.568   9.944
   48   HH21  ARG   4          HH21      ARG   4  42.103   7.208  11.498
   49   HH22  ARG   4          HH22      ARG   4  43.477   6.178  11.721
   50    H    ILE   5           HN       ILE   5  35.989   7.842  11.031
   51    HA   ILE   5           HA       ILE   5  34.631   9.607  11.641
   52    HB   ILE   5           HB       ILE   5  36.967  10.730  13.242
   53   HG12  ILE   5          HG12      ILE   5  35.002   8.507  13.961
   54   HG13  ILE   5          HG11      ILE   5  36.760   8.333  13.756
   55   HG21  ILE   5          HG21      ILE   5  34.762  12.024  12.916
   56   HG22  ILE   5          HG22      ILE   5  35.263  11.728  14.596
   57   HG23  ILE   5          HG23      ILE   5  33.985  10.731  13.860
   58   HD11  ILE   5           HD1      ILE   5  35.246   9.791  15.946
   59   HD12  ILE   5           HD2      ILE   5  36.958  10.149  15.612
   60   HD13  ILE   5           HD3      ILE   5  36.468   8.510  16.105
   61    H    GLY   6           HN       GLY   6  37.751  11.380  11.756
   62    HA2  GLY   6           HA1      GLY   6  36.639  13.432   9.977
   63    HA3  GLY   6           HA2      GLY   6  38.243  13.422  10.736
   64    H    LYS   7           HN       LYS   7  36.685  10.980   8.640
   65    HA   LYS   7           HA       LYS   7  39.067  10.570   7.099
   66    HB2  LYS   7           HB2      LYS   7  37.142   8.957   7.327
   67    HB3  LYS   7           HB1      LYS   7  36.203  10.008   6.239
   68    HG2  LYS   7           HG2      LYS   7  37.893   9.738   4.472
   69    HG3  LYS   7           HG1      LYS   7  38.896   8.745   5.558
   70    HD2  LYS   7           HD2      LYS   7  37.195   7.016   5.659
   71    HD3  LYS   7           HD1      LYS   7  36.039   8.037   4.769
   72    HE2  LYS   7           HE2      LYS   7  37.486   7.996   2.783
   73    HE3  LYS   7           HE1      LYS   7  38.704   7.044   3.666
   74    HZ1  LYS   7           HZ1      LYS   7  36.905   5.354   4.014
   75    HZ2  LYS   7           HZ2      LYS   7  37.415   5.535   2.404
   76    HZ3  LYS   7           HZ3      LYS   7  35.947   6.221   2.916
   77    H    GLY   8           HN       GLY   8  39.636  11.184   5.008
   78    HA2  GLY   8           HA1      GLY   8  38.157  12.725   3.213
   79    HA3  GLY   8           HA2      GLY   8  38.899  13.897   4.320
   80    H    VAL   9           HN       VAL   9  39.901  14.607   2.244
   81    HA   VAL   9           HA       VAL   9  42.540  13.222   1.950
   82    HB   VAL   9           HB       VAL   9  40.739  14.001  -0.394
   83   HG11  VAL   9          HG11      VAL   9  43.621  13.030  -0.214
   84   HG12  VAL   9          HG12      VAL   9  43.019  14.518  -0.982
   85   HG13  VAL   9          HG13      VAL   9  42.662  12.934  -1.709
   86   HG21  VAL   9          HG21      VAL   9  40.096  11.868   0.651
   87   HG22  VAL   9          HG22      VAL   9  41.788  11.316   0.608
   88   HG23  VAL   9          HG23      VAL   9  40.893  11.560  -0.911
   89    H    LYS  10           HN       LYS  10  41.171  15.728  -0.164
   90    HA   LYS  10           HA       LYS  10  42.239  17.961   1.320
   91    HB2  LYS  10           HB2      LYS  10  44.375  16.818   0.574
   92    HB3  LYS  10           HB1      LYS  10  43.882  17.146  -1.104
   93    HG2  LYS  10           HG2      LYS  10  43.782  19.566  -0.611
   94    HG3  LYS  10           HG1      LYS  10  44.262  19.248   1.073
   95    HD2  LYS  10           HD2      LYS  10  46.371  18.181   0.216
   96    HD3  LYS  10           HD1      LYS  10  45.903  18.670  -1.431
   97    HE2  LYS  10           HE2      LYS  10  45.780  21.058  -0.604
   98    HE3  LYS  10           HE1      LYS  10  46.460  20.499   0.943
   99    HZ1  LYS  10           HZ1      LYS  10  47.970  19.511  -1.257
  100    HZ2  LYS  10           HZ2      LYS  10  48.480  20.456   0.059
  101    HZ3  LYS  10           HZ3      LYS  10  47.855  21.201  -1.335
  102    H    ILE  11           HN       ILE  11  41.072  16.473  -1.627
  103    HA   ILE  11           HA       ILE  11  39.799  19.090  -2.387
  104    HB   ILE  11           HB       ILE  11  40.977  17.172  -4.439
  105   HG12  ILE  11          HG12      ILE  11  42.208  19.698  -3.243
  106   HG13  ILE  11          HG11      ILE  11  42.826  18.039  -3.063
  107   HG21  ILE  11          HG21      ILE  11  40.290  20.130  -4.689
  108   HG22  ILE  11          HG22      ILE  11  39.097  18.845  -4.999
  109   HG23  ILE  11          HG23      ILE  11  40.567  18.950  -5.992
  110   HD11  ILE  11           HD1      ILE  11  42.905  17.996  -5.667
  111   HD12  ILE  11           HD2      ILE  11  44.139  18.955  -4.815
  112   HD13  ILE  11           HD3      ILE  11  42.742  19.766  -5.558
  113    H    ILE  12           HN       ILE  12  39.988  15.558  -2.922
  114    HA   ILE  12           HA       ILE  12  37.210  15.472  -3.904
  115    HB   ILE  12           HB       ILE  12  39.160  13.269  -3.138
  116   HG12  ILE  12          HG12      ILE  12  38.433  14.225  -5.949
  117   HG13  ILE  12          HG11      ILE  12  39.817  14.885  -5.053
  118   HG21  ILE  12          HG21      ILE  12  36.996  12.271  -3.147
  119   HG22  ILE  12          HG22      ILE  12  37.596  11.947  -4.783
  120   HG23  ILE  12          HG23      ILE  12  36.440  13.269  -4.509
  121   HD11  ILE  12           HD1      ILE  12  40.484  12.317  -4.772
  122   HD12  ILE  12           HD2      ILE  12  40.846  13.176  -6.284
  123   HD13  ILE  12           HD3      ILE  12  39.434  12.104  -6.192
  124    H    GLY  13           HN       GLY  13  38.392  13.023  -1.649
  125    HA2  GLY  13           HA1      GLY  13  36.054  13.110  -0.017
  126    HA3  GLY  13           HA2      GLY  13  37.623  12.414   0.452
  127    H    GLY  14           HN       GLY  14  38.497  15.225  -0.558
  128    HA2  GLY  14           HA1      GLY  14  38.695  16.442   2.115
  129    HA3  GLY  14           HA2      GLY  14  39.411  17.043   0.601
  130    H    ALA  15           HN       ALA  15  37.244  17.240  -1.111
  131    HA   ALA  15           HA       ALA  15  35.793  19.525   0.182
  132    HB1  ALA  15           HB1      ALA  15  34.971  20.015  -2.032
  133    HB2  ALA  15           HB2      ALA  15  35.533  18.446  -2.650
  134    HB3  ALA  15           HB3      ALA  15  36.713  19.690  -2.162
  135    H    ALA  16           HN       ALA  16  35.477  16.767   1.059
  136    HA   ALA  16           HA       ALA  16  33.723  15.488   1.839
  137    HB1  ALA  16           HB1      ALA  16  32.502  17.813   1.769
  138    HB2  ALA  16           HB2      ALA  16  31.535  16.325   1.899
  139    HB3  ALA  16           HB3      ALA  16  31.691  17.150   0.331
  140    H    LEU  17           HN       LEU  17  35.219  14.803  -0.447
  141    HA   LEU  17           HA       LEU  17  35.092  13.237  -2.160
  142    HB2  LEU  17           HB2      LEU  17  33.301  12.312  -0.372
  143    HB3  LEU  17           HB1      LEU  17  32.160  12.678  -1.679
  144    HG   LEU  17           HG       LEU  17  34.659  10.941  -1.987
  145   HD11  LEU  17          HD11      LEU  17  33.081   9.049  -2.046
  146   HD12  LEU  17          HD12      LEU  17  31.720  10.161  -1.765
  147   HD13  LEU  17          HD13      LEU  17  32.949   9.920  -0.500
  148   HD21  LEU  17          HD21      LEU  17  33.473  10.270  -4.120
  149   HD22  LEU  17          HD22      LEU  17  34.011  11.965  -4.102
  150   HD23  LEU  17          HD23      LEU  17  32.298  11.569  -3.816
  151    H    ASP  18           HN       ASP  18  35.002  15.740  -2.988
  152    HA   ASP  18           HA       ASP  18  34.335  17.117  -4.726
  153    HB2  ASP  18           HB2      ASP  18  34.902  15.142  -6.075
  154    HB3  ASP  18           HB1      ASP  18  33.258  14.500  -5.852
  155    H    HIS  19           HN       HIS  19  31.621  14.837  -5.114
  156    HA   HIS  19           HA       HIS  19  29.746  16.758  -3.834
  157    HB2  HIS  19           HB2      HIS  19  28.317  16.875  -5.852
  158    HB3  HIS  19           HB1      HIS  19  29.915  17.604  -6.141
  159    HD1  HIS  19           HD1      HIS  19  31.428  14.777  -6.417
  160    HD2  HIS  19           HD2      HIS  19  28.045  16.045  -8.569
  161    HE1  HIS  19           HE1      HIS  19  31.325  13.391  -8.562
  162    H    LEU  20           HN       LEU  20  30.604  14.139  -3.113
  163    HA   LEU  20           HA       LEU  20  29.739  12.050  -2.593
  164    HB2  LEU  20           HB2      LEU  20  28.103  13.667  -1.477
  165    HB3  LEU  20           HB1      LEU  20  27.034  13.407  -2.871
  166    HG   LEU  20           HG       LEU  20  27.379  10.829  -2.321
  167   HD11  LEU  20          HD11      LEU  20  27.601  10.470   0.164
  168   HD12  LEU  20          HD12      LEU  20  28.071  12.175   0.334
  169   HD13  LEU  20          HD13      LEU  20  29.097  11.055  -0.593
  170   HD21  LEU  20          HD21      LEU  20  25.228  12.041  -2.140
  171   HD22  LEU  20          HD22      LEU  20  25.702  12.652  -0.536
  172   HD23  LEU  20          HD23      LEU  20  25.436  10.910  -0.782
  Start of MODEL    5
    1    H1   TRP   1           HT1      TRP   1  48.519   0.791   1.587
    2    H2   TRP   1           HT2      TRP   1  48.237   1.347   0.006
    3    H3   TRP   1           HT3      TRP   1  48.497  -0.306   0.294
    4    HA   TRP   1           HA       TRP   1  46.215  -0.026  -0.057
    5    HB2  TRP   1           HB2      TRP   1  46.562  -0.138   2.958
    6    HB3  TRP   1           HB1      TRP   1  45.363  -0.981   1.947
    7    HD1  TRP   1           HD1      TRP   1  49.189  -0.895   2.523
    8    HE1  TRP   1           HE1      TRP   1  50.171  -3.255   2.045
    9    HE3  TRP   1           HE3      TRP   1  44.928  -3.228   0.915
   10    HZ2  TRP   1           HZ2      TRP   1  49.205  -5.795   1.090
   11    HZ3  TRP   1           HZ3      TRP   1  44.980  -5.621   0.226
   12    HH2  TRP   1           HH2      TRP   1  47.114  -6.905   0.313
   13    H    LEU   2           HN       LEU   2  46.296   2.352  -0.713
   14    HA   LEU   2           HA       LEU   2  45.305   4.444  -0.567
   15    HB2  LEU   2           HB2      LEU   2  43.775   3.408   1.838
   16    HB3  LEU   2           HB1      LEU   2  43.301   4.694   0.708
   17    HG   LEU   2           HG       LEU   2  43.612   1.736   0.018
   18   HD11  LEU   2          HD11      LEU   2  41.617   2.251   1.395
   19   HD12  LEU   2          HD12      LEU   2  41.154   1.819  -0.270
   20   HD13  LEU   2          HD13      LEU   2  41.150   3.523   0.243
   21   HD21  LEU   2          HD21      LEU   2  44.162   2.947  -1.964
   22   HD22  LEU   2          HD22      LEU   2  42.952   4.210  -1.632
   23   HD23  LEU   2          HD23      LEU   2  42.431   2.585  -2.141
   24    H    ARG   3           HN       ARG   3  47.187   3.140   1.858
   25    HA   ARG   3           HA       ARG   3  48.728   4.228   3.223
   26    HB2  ARG   3           HB2      ARG   3  48.179   6.331   1.697
   27    HB3  ARG   3           HB1      ARG   3  47.237   6.869   3.107
   28    HG2  ARG   3           HG2      ARG   3  49.335   6.421   4.514
   29    HG3  ARG   3           HG1      ARG   3  50.215   6.244   2.978
   30    HD2  ARG   3           HD2      ARG   3  49.418   8.525   2.304
   31    HD3  ARG   3           HD1      ARG   3  48.664   8.700   3.906
   32    HE   ARG   3           HE       ARG   3  51.403   8.006   4.289
   33   HH11  ARG   3          HH11      ARG   3  49.263  10.552   4.428
   34   HH12  ARG   3          HH12      ARG   3  50.442  11.803   4.219
   35   HH21  ARG   3          HH21      ARG   3  53.012   9.615   3.426
   36   HH22  ARG   3          HH22      ARG   3  52.564  11.273   3.651
   37    H    ARG   4           HN       ARG   4  45.361   5.405   3.620
   38    HA   ARG   4           HA       ARG   4  45.116   4.045   6.168
   39    HB2  ARG   4           HB2      ARG   4  46.550   6.126   6.701
   40    HB3  ARG   4           HB1      ARG   4  45.087   7.079   6.364
   41    HG2  ARG   4           HG2      ARG   4  43.858   5.647   8.056
   42    HG3  ARG   4           HG1      ARG   4  45.418   4.900   8.472
   43    HD2  ARG   4           HD2      ARG   4  46.317   7.201   8.974
   44    HD3  ARG   4           HD1      ARG   4  44.678   7.847   8.714
   45    HE   ARG   4           HE       ARG   4  44.087   6.996  10.837
   46   HH11  ARG   4          HH11      ARG   4  47.027   5.627   9.668
   47   HH12  ARG   4          HH12      ARG   4  47.315   4.692  11.098
   48   HH21  ARG   4          HH21      ARG   4  44.410   5.729  12.683
   49   HH22  ARG   4          HH22      ARG   4  45.834   4.749  12.803
   50    H    ILE   5           HN       ILE   5  43.610   3.732   3.996
   51    HA   ILE   5           HA       ILE   5  41.464   3.934   3.125
   52    HB   ILE   5           HB       ILE   5  40.633   4.653   5.967
   53   HG12  ILE   5          HG12      ILE   5  41.366   1.935   4.781
   54   HG13  ILE   5          HG11      ILE   5  42.219   2.782   6.093
   55   HG21  ILE   5          HG21      ILE   5  38.968   4.614   3.998
   56   HG22  ILE   5          HG22      ILE   5  38.570   3.580   5.389
   57   HG23  ILE   5          HG23      ILE   5  39.265   2.862   3.916
   58   HD11  ILE   5           HD1      ILE   5  40.834   1.219   7.222
   59   HD12  ILE   5           HD2      ILE   5  39.458   1.521   6.137
   60   HD13  ILE   5           HD3      ILE   5  39.932   2.748   7.338
   61    H    GLY   6           HN       GLY   6  42.392   5.983   2.101
   62    HA2  GLY   6           HA1      GLY   6  40.379   8.031   2.283
   63    HA3  GLY   6           HA2      GLY   6  41.863   8.563   3.094
   64    H    LYS   7           HN       LYS   7  43.906   7.745   1.640
   65    HA   LYS   7           HA       LYS   7  45.126   8.333  -0.243
   66    HB2  LYS   7           HB2      LYS   7  43.671   6.476  -1.163
   67    HB3  LYS   7           HB1      LYS   7  42.567   7.733  -1.774
   68    HG2  LYS   7           HG2      LYS   7  44.451   8.744  -3.054
   69    HG3  LYS   7           HG1      LYS   7  45.522   7.444  -2.479
   70    HD2  LYS   7           HD2      LYS   7  44.142   5.756  -3.584
   71    HD3  LYS   7           HD1      LYS   7  42.954   6.993  -4.061
   72    HE2  LYS   7           HE2      LYS   7  44.831   8.165  -5.321
   73    HE3  LYS   7           HE1      LYS   7  45.836   6.729  -5.008
   74    HZ1  LYS   7           HZ1      LYS   7  43.169   6.280  -6.119
   75    HZ2  LYS   7           HZ2      LYS   7  44.629   5.464  -6.424
   76    HZ3  LYS   7           HZ3      LYS   7  44.323   6.967  -7.156
   77    H    GLY   8           HN       GLY   8  45.047  10.558   0.647
   78    HA2  GLY   8           HA1      GLY   8  44.843  12.829   0.277
   79    HA3  GLY   8           HA2      GLY   8  44.494  12.435  -1.417
   80    H    VAL   9           HN       VAL   9  43.388  14.358   0.755
   81    HA   VAL   9           HA       VAL   9  40.585  14.098  -0.139
   82    HB   VAL   9           HB       VAL   9  39.688  14.252   2.199
   83   HG11  VAL   9          HG11      VAL   9  39.786  11.896   2.640
   84   HG12  VAL   9          HG12      VAL   9  41.373  11.739   1.849
   85   HG13  VAL   9          HG13      VAL   9  39.919  12.065   0.875
   86   HG21  VAL   9          HG21      VAL   9  41.256  13.478   4.036
   87   HG22  VAL   9          HG22      VAL   9  41.647  15.081   3.369
   88   HG23  VAL   9          HG23      VAL   9  42.600  13.658   2.883
   89    H    LYS  10           HN       LYS  10  43.049  15.912  -0.179
   90    HA   LYS  10           HA       LYS  10  42.196  18.281   1.341
   91    HB2  LYS  10           HB2      LYS  10  44.370  17.700  -0.701
   92    HB3  LYS  10           HB1      LYS  10  44.058  19.353  -0.122
   93    HG2  LYS  10           HG2      LYS  10  45.833  18.332   1.224
   94    HG3  LYS  10           HG1      LYS  10  44.382  18.564   2.228
   95    HD2  LYS  10           HD2      LYS  10  43.830  16.252   2.184
   96    HD3  LYS  10           HD1      LYS  10  44.896  15.930   0.795
   97    HE2  LYS  10           HE2      LYS  10  45.890  15.102   2.915
   98    HE3  LYS  10           HE1      LYS  10  46.877  16.399   2.201
   99    HZ1  LYS  10           HZ1      LYS  10  46.720  17.193   4.299
  100    HZ2  LYS  10           HZ2      LYS  10  45.249  16.409   4.628
  101    HZ3  LYS  10           HZ3      LYS  10  45.266  17.842   3.716
  102    H    ILE  11           HN       ILE  11  41.321  16.781  -1.573
  103    HA   ILE  11           HA       ILE  11  39.889  19.268  -2.468
  104    HB   ILE  11           HB       ILE  11  41.250  17.345  -4.393
  105   HG12  ILE  11          HG12      ILE  11  42.242  20.012  -3.284
  106   HG13  ILE  11          HG11      ILE  11  43.003  18.420  -3.061
  107   HG21  ILE  11          HG21      ILE  11  39.256  18.821  -5.093
  108   HG22  ILE  11          HG22      ILE  11  40.741  19.007  -6.052
  109   HG23  ILE  11          HG23      ILE  11  40.322  20.218  -4.817
  110   HD11  ILE  11           HD1      ILE  11  42.797  20.080  -5.595
  111   HD12  ILE  11           HD2      ILE  11  43.114  18.328  -5.664
  112   HD13  ILE  11           HD3      ILE  11  44.251  19.409  -4.822
  113    H    ILE  12           HN       ILE  12  40.293  15.748  -2.534
  114    HA   ILE  12           HA       ILE  12  37.707  15.274  -3.821
  115    HB   ILE  12           HB       ILE  12  39.561  13.473  -2.231
  116   HG12  ILE  12          HG12      ILE  12  39.233  13.693  -5.264
  117   HG13  ILE  12          HG11      ILE  12  40.490  14.557  -4.351
  118   HG21  ILE  12          HG21      ILE  12  37.385  12.437  -2.295
  119   HG22  ILE  12          HG22      ILE  12  38.324  11.645  -3.574
  120   HG23  ILE  12          HG23      ILE  12  37.137  12.900  -3.993
  121   HD11  ILE  12           HD1      ILE  12  40.228  11.594  -4.909
  122   HD12  ILE  12           HD2      ILE  12  41.035  12.105  -3.408
  123   HD13  ILE  12           HD3      ILE  12  41.666  12.633  -4.983
  124    H    GLY  13           HN       GLY  13  38.686  13.677  -0.803
  125    HA2  GLY  13           HA1      GLY  13  36.077  13.964   0.381
  126    HA3  GLY  13           HA2      GLY  13  37.580  13.517   1.227
  127    H    GLY  14           HN       GLY  14  38.439  16.036  -0.468
  128    HA2  GLY  14           HA1      GLY  14  38.268  17.927   1.803
  129    HA3  GLY  14           HA2      GLY  14  39.149  18.155   0.273
  130    H    ALA  15           HN       ALA  15  37.176  17.683  -1.622
  131    HA   ALA  15           HA       ALA  15  35.515  20.147  -1.235
  132    HB1  ALA  15           HB1      ALA  15  36.693  19.733  -3.406
  133    HB2  ALA  15           HB2      ALA  15  34.927  19.862  -3.580
  134    HB3  ALA  15           HB3      ALA  15  35.709  18.264  -3.621
  135    H    ALA  16           HN       ALA  16  35.195  17.762   0.386
  136    HA   ALA  16           HA       ALA  16  33.424  16.617   1.312
  137    HB1  ALA  16           HB1      ALA  16  32.129  18.738   0.493
  138    HB2  ALA  16           HB2      ALA  16  31.208  17.273   0.906
  139    HB3  ALA  16           HB3      ALA  16  31.526  17.674  -0.797
  140    H    LEU  17           HN       LEU  17  35.191  15.410  -0.510
  141    HA   LEU  17           HA       LEU  17  35.320  13.462  -1.785
  142    HB2  LEU  17           HB2      LEU  17  33.660  12.737   0.090
  143    HB3  LEU  17           HB1      LEU  17  32.402  12.912  -1.152
  144    HG   LEU  17           HG       LEU  17  34.089  11.401  -2.607
  145   HD11  LEU  17          HD11      LEU  17  35.854  11.399  -0.815
  146   HD12  LEU  17          HD12      LEU  17  35.294   9.765  -1.238
  147   HD13  LEU  17          HD13      LEU  17  34.720  10.543   0.255
  148   HD21  LEU  17          HD21      LEU  17  32.257  10.390  -0.386
  149   HD22  LEU  17          HD22      LEU  17  32.926   9.352  -1.669
  150   HD23  LEU  17          HD23      LEU  17  31.828  10.689  -2.086
  151    H    ASP  18           HN       ASP  18  35.055  15.625  -3.293
  152    HA   ASP  18           HA       ASP  18  34.411  16.357  -5.390
  153    HB2  ASP  18           HB2      ASP  18  35.123  14.029  -5.992
  154    HB3  ASP  18           HB1      ASP  18  33.433  13.504  -5.804
  155    H    HIS  19           HN       HIS  19  31.848  13.888  -5.009
  156    HA   HIS  19           HA       HIS  19  29.832  15.918  -4.345
  157    HB2  HIS  19           HB2      HIS  19  30.115  16.230  -6.811
  158    HB3  HIS  19           HB1      HIS  19  29.688  14.519  -7.046
  159    HD1  HIS  19           HD1      HIS  19  27.806  15.771  -4.217
  160    HD2  HIS  19           HD2      HIS  19  27.378  16.002  -8.394
  161    HE1  HIS  19           HE1      HIS  19  25.373  16.378  -4.698
  162    H    LEU  20           HN       LEU  20  30.517  13.844  -2.812
  163    HA   LEU  20           HA       LEU  20  29.718  11.909  -1.808
  164    HB2  LEU  20           HB2      LEU  20  27.208  13.109  -3.022
  165    HB3  LEU  20           HB1      LEU  20  27.144  11.604  -2.077
  166    HG   LEU  20           HG       LEU  20  28.183  12.750  -0.151
  167   HD11  LEU  20          HD11      LEU  20  28.275  15.340  -0.331
  168   HD12  LEU  20          HD12      LEU  20  28.246  15.091  -2.094
  169   HD13  LEU  20          HD13      LEU  20  29.576  14.420  -1.119
  170   HD21  LEU  20          HD21      LEU  20  25.857  14.392  -1.242
  171   HD22  LEU  20          HD22      LEU  20  26.266  14.100   0.465
  172   HD23  LEU  20          HD23      LEU  20  25.676  12.763  -0.550
  Start of MODEL    6
    1    H1   TRP   1           HT1      TRP   1  43.996   0.406  12.445
    2    H2   TRP   1           HT2      TRP   1  43.163   1.727  13.115
    3    H3   TRP   1           HT3      TRP   1  44.855   1.772  12.964
    4    HA   TRP   1           HA       TRP   1  43.984   3.108  11.270
    5    HB2  TRP   1           HB2      TRP   1  44.722   1.809   9.245
    6    HB3  TRP   1           HB1      TRP   1  45.888   1.768  10.589
    7    HD1  TRP   1           HD1      TRP   1  45.861  -0.486  12.130
    8    HE1  TRP   1           HE1      TRP   1  45.348  -2.958  11.506
    9    HE3  TRP   1           HE3      TRP   1  43.363   0.291   7.728
   10    HZ2  TRP   1           HZ2      TRP   1  44.027  -4.374   9.377
   11    HZ3  TRP   1           HZ3      TRP   1  42.484  -1.636   6.418
   12    HH2  TRP   1           HH2      TRP   1  42.814  -3.965   7.238
   13    H    LEU   2           HN       LEU   2  42.258   3.717  10.122
   14    HA   LEU   2           HA       LEU   2  39.823   2.194  10.271
   15    HB2  LEU   2           HB2      LEU   2  40.698   4.643   8.713
   16    HB3  LEU   2           HB1      LEU   2  39.084   3.935   8.478
   17    HG   LEU   2           HG       LEU   2  38.554   4.226  10.844
   18   HD11  LEU   2          HD11      LEU   2  40.630   3.838  11.959
   19   HD12  LEU   2          HD12      LEU   2  40.267   5.551  12.262
   20   HD13  LEU   2          HD13      LEU   2  41.465   5.101  11.024
   21   HD21  LEU   2          HD21      LEU   2  38.544   6.675  10.939
   22   HD22  LEU   2          HD22      LEU   2  38.254   6.154   9.262
   23   HD23  LEU   2          HD23      LEU   2  39.859   6.757   9.743
   24    H    ARG   3           HN       ARG   3  41.242   3.354   7.238
   25    HA   ARG   3           HA       ARG   3  41.585   0.705   6.106
   26    HB2  ARG   3           HB2      ARG   3  39.095   0.849   6.056
   27    HB3  ARG   3           HB1      ARG   3  39.213   2.370   5.145
   28    HG2  ARG   3           HG2      ARG   3  38.786   0.491   3.614
   29    HG3  ARG   3           HG1      ARG   3  40.396   1.170   3.309
   30    HD2  ARG   3           HD2      ARG   3  40.165  -1.127   5.263
   31    HD3  ARG   3           HD1      ARG   3  40.043  -1.477   3.524
   32    HE   ARG   3           HE       ARG   3  42.455  -0.535   4.944
   33   HH11  ARG   3          HH11      ARG   3  41.994   1.104   2.416
   34   HH12  ARG   3          HH12      ARG   3  42.895   0.189   1.255
   35   HH21  ARG   3          HH21      ARG   3  43.109  -2.637   3.250
   36   HH22  ARG   3          HH22      ARG   3  43.528  -1.928   1.727
   37    H    ARG   4           HN       ARG   4  41.494   4.124   6.110
   38    HA   ARG   4           HA       ARG   4  43.714   4.281   4.222
   39    HB2  ARG   4           HB2      ARG   4  42.460   5.950   2.737
   40    HB3  ARG   4           HB1      ARG   4  42.017   4.239   2.530
   41    HG2  ARG   4           HG2      ARG   4  40.027   4.506   3.871
   42    HG3  ARG   4           HG1      ARG   4  40.518   6.140   4.376
   43    HD2  ARG   4           HD2      ARG   4  38.796   6.199   2.574
   44    HD3  ARG   4           HD1      ARG   4  40.328   6.942   2.057
   45    HE   ARG   4           HE       ARG   4  40.534   4.276   1.257
   46   HH11  ARG   4          HH11      ARG   4  40.741   5.688  -1.039
   47   HH12  ARG   4          HH12      ARG   4  39.188   5.699  -1.804
   48   HH21  ARG   4          HH21      ARG   4  37.470   4.797   1.071
   49   HH22  ARG   4          HH22      ARG   4  37.335   5.195  -0.609
   50    H    ILE   5           HN       ILE   5  42.202   5.083   6.952
   51    HA   ILE   5           HA       ILE   5  42.052   7.006   8.291
   52    HB   ILE   5           HB       ILE   5  44.334   7.953   8.778
   53   HG12  ILE   5          HG12      ILE   5  45.265   5.974   6.643
   54   HG13  ILE   5          HG11      ILE   5  45.152   7.729   6.378
   55   HG21  ILE   5          HG21      ILE   5  43.413   5.802   9.776
   56   HG22  ILE   5          HG22      ILE   5  45.187   5.906   9.742
   57   HG23  ILE   5          HG23      ILE   5  44.331   4.913   8.538
   58   HD11  ILE   5           HD1      ILE   5  46.987   6.211   8.263
   59   HD12  ILE   5           HD2      ILE   5  46.658   7.946   8.494
   60   HD13  ILE   5           HD3      ILE   5  47.417   7.376   6.991
   61    H    GLY   6           HN       GLY   6  41.195   7.610   5.619
   62    HA2  GLY   6           HA1      GLY   6  40.592   9.521   4.461
   63    HA3  GLY   6           HA2      GLY   6  41.273  10.480   5.789
   64    H    LYS   7           HN       LYS   7  42.799   8.140   3.544
   65    HA   LYS   7           HA       LYS   7  45.023   9.996   3.097
   66    HB2  LYS   7           HB2      LYS   7  45.250   7.487   3.174
   67    HB3  LYS   7           HB1      LYS   7  44.373   7.413   1.627
   68    HG2  LYS   7           HG2      LYS   7  46.084   8.787   0.541
   69    HG3  LYS   7           HG1      LYS   7  46.933   9.005   2.090
   70    HD2  LYS   7           HD2      LYS   7  47.340   6.571   2.225
   71    HD3  LYS   7           HD1      LYS   7  46.470   6.335   0.688
   72    HE2  LYS   7           HE2      LYS   7  48.131   7.897  -0.406
   73    HE3  LYS   7           HE1      LYS   7  49.050   7.900   1.117
   74    HZ1  LYS   7           HZ1      LYS   7  48.309   5.382  -0.263
   75    HZ2  LYS   7           HZ2      LYS   7  49.499   5.626   0.925
   76    HZ3  LYS   7           HZ3      LYS   7  49.728   6.225  -0.649
   77    H    GLY   8           HN       GLY   8  45.081  11.585   1.662
   78    HA2  GLY   8           HA1      GLY   8  44.672  12.788  -0.270
   79    HA3  GLY   8           HA2      GLY   8  44.158  11.274  -1.039
   80    H    VAL   9           HN       VAL   9  43.110  13.951   1.062
   81    HA   VAL   9           HA       VAL   9  40.452  13.890  -0.233
   82    HB   VAL   9           HB       VAL   9  39.243  13.868   1.963
   83   HG11  VAL   9          HG11      VAL   9  39.597  11.803   0.482
   84   HG12  VAL   9          HG12      VAL   9  39.223  11.477   2.190
   85   HG13  VAL   9          HG13      VAL   9  40.897  11.335   1.604
   86   HG21  VAL   9          HG21      VAL   9  41.994  13.046   2.996
   87   HG22  VAL   9          HG22      VAL   9  40.486  12.919   3.931
   88   HG23  VAL   9          HG23      VAL   9  41.091  14.517   3.432
   89    H    LYS  10           HN       LYS  10  42.863  15.645   0.070
   90    HA   LYS  10           HA       LYS  10  41.993  17.868   1.777
   91    HB2  LYS  10           HB2      LYS  10  44.123  17.728  -0.396
   92    HB3  LYS  10           HB1      LYS  10  43.923  19.042   0.786
   93    HG2  LYS  10           HG2      LYS  10  44.541  17.654   2.619
   94    HG3  LYS  10           HG1      LYS  10  44.297  16.159   1.687
   95    HD2  LYS  10           HD2      LYS  10  46.716  16.713   1.972
   96    HD3  LYS  10           HD1      LYS  10  46.221  16.686   0.264
   97    HE2  LYS  10           HE2      LYS  10  47.681  18.677   1.026
   98    HE3  LYS  10           HE1      LYS  10  46.200  19.064   0.118
   99    HZ1  LYS  10           HZ1      LYS  10  46.728  20.297   2.323
  100    HZ2  LYS  10           HZ2      LYS  10  46.109  18.897   3.061
  101    HZ3  LYS  10           HZ3      LYS  10  45.137  19.803   2.001
  102    H    ILE  11           HN       ILE  11  41.248  16.693  -1.333
  103    HA   ILE  11           HA       ILE  11  39.805  19.245  -1.992
  104    HB   ILE  11           HB       ILE  11  41.344  17.633  -4.061
  105   HG12  ILE  11          HG12      ILE  11  42.181  20.158  -2.562
  106   HG13  ILE  11          HG11      ILE  11  42.973  18.567  -2.481
  107   HG21  ILE  11          HG21      ILE  11  39.347  19.144  -4.683
  108   HG22  ILE  11          HG22      ILE  11  40.878  19.483  -5.519
  109   HG23  ILE  11          HG23      ILE  11  40.354  20.515  -4.166
  110   HD11  ILE  11           HD1      ILE  11  44.301  19.792  -4.021
  111   HD12  ILE  11           HD2      ILE  11  42.880  20.517  -4.807
  112   HD13  ILE  11           HD3      ILE  11  43.256  18.795  -5.060
  113    H    ILE  12           HN       ILE  12  40.347  15.782  -2.523
  114    HA   ILE  12           HA       ILE  12  37.874  15.406  -4.034
  115    HB   ILE  12           HB       ILE  12  39.624  13.444  -2.522
  116   HG12  ILE  12          HG12      ILE  12  41.004  14.568  -4.145
  117   HG13  ILE  12          HG11      ILE  12  40.631  12.964  -4.805
  118   HG21  ILE  12          HG21      ILE  12  38.592  11.886  -4.446
  119   HG22  ILE  12          HG22      ILE  12  37.300  13.109  -4.443
  120   HG23  ILE  12          HG23      ILE  12  37.678  12.213  -2.958
  121   HD11  ILE  12           HD1      ILE  12  38.632  14.194  -6.001
  122   HD12  ILE  12           HD2      ILE  12  40.272  14.390  -6.652
  123   HD13  ILE  12           HD3      ILE  12  39.554  15.672  -5.650
  124    H    GLY  13           HN       GLY  13  38.664  13.454  -1.172
  125    HA2  GLY  13           HA1      GLY  13  35.966  13.508  -0.191
  126    HA3  GLY  13           HA2      GLY  13  37.411  13.012   0.721
  127    H    GLY  14           HN       GLY  14  38.304  15.755  -0.559
  128    HA2  GLY  14           HA1      GLY  14  37.853  17.327   1.907
  129    HA3  GLY  14           HA2      GLY  14  38.846  17.784   0.505
  130    H    ALA  15           HN       ALA  15  37.040  17.470  -1.591
  131    HA   ALA  15           HA       ALA  15  35.273  19.828  -1.074
  132    HB1  ALA  15           HB1      ALA  15  34.859  19.758  -3.484
  133    HB2  ALA  15           HB2      ALA  15  35.741  18.219  -3.618
  134    HB3  ALA  15           HB3      ALA  15  36.609  19.710  -3.172
  135    H    ALA  16           HN       ALA  16  34.944  17.201   0.198
  136    HA   ALA  16           HA       ALA  16  33.123  15.956   0.877
  137    HB1  ALA  16           HB1      ALA  16  31.347  17.126  -1.276
  138    HB2  ALA  16           HB2      ALA  16  31.824  18.118   0.122
  139    HB3  ALA  16           HB3      ALA  16  30.931  16.599   0.372
  140    H    LEU  17           HN       LEU  17  35.097  15.065  -0.979
  141    HA   LEU  17           HA       LEU  17  35.411  13.290  -2.464
  142    HB2  LEU  17           HB2      LEU  17  33.843  12.243  -0.670
  143    HB3  LEU  17           HB1      LEU  17  32.558  12.426  -1.882
  144    HG   LEU  17           HG       LEU  17  34.359  11.218  -3.483
  145   HD11  LEU  17          HD11      LEU  17  35.049   9.980  -0.786
  146   HD12  LEU  17          HD12      LEU  17  36.058  11.233  -1.541
  147   HD13  LEU  17          HD13      LEU  17  35.810   9.677  -2.366
  148   HD21  LEU  17          HD21      LEU  17  32.134  10.309  -2.983
  149   HD22  LEU  17          HD22      LEU  17  32.682   9.781  -1.373
  150   HD23  LEU  17          HD23      LEU  17  33.349   9.018  -2.836
  151    H    ASP  18           HN       ASP  18  34.688  15.698  -3.633
  152    HA   ASP  18           HA       ASP  18  33.853  16.578  -5.610
  153    HB2  ASP  18           HB2      ASP  18  33.822  13.650  -6.451
  154    HB3  ASP  18           HB1      ASP  18  33.765  15.057  -7.542
  155    H    HIS  19           HN       HIS  19  31.965  16.011  -3.520
  156    HA   HIS  19           HA       HIS  19  29.675  15.813  -3.187
  157    HB2  HIS  19           HB2      HIS  19  29.738  17.800  -4.674
  158    HB3  HIS  19           HB1      HIS  19  29.580  16.731  -6.088
  159    HD1  HIS  19           HD1      HIS  19  27.232  16.988  -6.911
  160    HD2  HIS  19           HD2      HIS  19  27.421  16.577  -2.731
  161    HE1  HIS  19           HE1      HIS  19  24.829  16.916  -6.043
  162    H    LEU  20           HN       LEU  20  30.842  13.376  -3.688
  163    HA   LEU  20           HA       LEU  20  30.321  11.218  -4.347
  164    HB2  LEU  20           HB2      LEU  20  28.161  11.935  -3.179
  165    HB3  LEU  20           HB1      LEU  20  27.505  12.267  -4.796
  166    HG   LEU  20           HG       LEU  20  28.282   9.797  -5.349
  167   HD11  LEU  20          HD11      LEU  20  29.529   9.294  -3.320
  168   HD12  LEU  20          HD12      LEU  20  28.048   8.313  -3.302
  169   HD13  LEU  20          HD13      LEU  20  28.157   9.774  -2.295
  170   HD21  LEU  20          HD21      LEU  20  26.100   8.929  -4.530
  171   HD22  LEU  20          HD22      LEU  20  25.927  10.538  -5.272
  172   HD23  LEU  20          HD23      LEU  20  25.922  10.369  -3.500
  Start of MODEL    7
    1    H1   TRP   1           HT1      TRP   1  37.844   0.387   8.520
    2    H2   TRP   1           HT2      TRP   1  37.589   0.417  10.199
    3    H3   TRP   1           HT3      TRP   1  38.196  -0.984   9.452
    4    HA   TRP   1           HA       TRP   1  39.557   1.629   9.601
    5    HB2  TRP   1           HB2      TRP   1  40.350  -0.962  10.972
    6    HB3  TRP   1           HB1      TRP   1  40.960   0.683  11.272
    7    HD1  TRP   1           HD1      TRP   1  37.568  -1.199  11.445
    8    HE1  TRP   1           HE1      TRP   1  36.214  -0.305  13.476
    9    HE3  TRP   1           HE3      TRP   1  40.820   2.412  13.057
   10    HZ2  TRP   1           HZ2      TRP   1  36.528   1.710  15.508
   11    HZ3  TRP   1           HZ3      TRP   1  40.272   3.808  15.045
   12    HH2  TRP   1           HH2      TRP   1  38.130   3.461  16.271
   13    H    LEU   2           HN       LEU   2  39.802   1.436   7.256
   14    HA   LEU   2           HA       LEU   2  41.128  -0.835   6.085
   15    HB2  LEU   2           HB2      LEU   2  41.233   2.020   5.059
   16    HB3  LEU   2           HB1      LEU   2  41.358   0.514   4.120
   17    HG   LEU   2           HG       LEU   2  38.887   1.417   5.672
   18   HD11  LEU   2          HD11      LEU   2  39.499   1.393   2.683
   19   HD12  LEU   2          HD12      LEU   2  39.339   2.840   3.707
   20   HD13  LEU   2          HD13      LEU   2  37.927   1.798   3.412
   21   HD21  LEU   2          HD21      LEU   2  38.841  -0.969   5.570
   22   HD22  LEU   2          HD22      LEU   2  39.534  -0.998   3.930
   23   HD23  LEU   2          HD23      LEU   2  37.859  -0.451   4.181
   24    H    ARG   3           HN       ARG   3  42.455   2.463   6.338
   25    HA   ARG   3           HA       ARG   3  44.898   1.505   7.659
   26    HB2  ARG   3           HB2      ARG   3  45.199   0.959   5.172
   27    HB3  ARG   3           HB1      ARG   3  45.153   2.713   4.875
   28    HG2  ARG   3           HG2      ARG   3  47.074   3.050   6.366
   29    HG3  ARG   3           HG1      ARG   3  47.092   1.317   6.774
   30    HD2  ARG   3           HD2      ARG   3  48.780   1.654   5.087
   31    HD3  ARG   3           HD1      ARG   3  47.408   0.844   4.292
   32    HE   ARG   3           HE       ARG   3  46.839   3.485   3.838
   33   HH11  ARG   3          HH11      ARG   3  47.826   1.816   1.594
   34   HH12  ARG   3          HH12      ARG   3  49.274   2.637   1.117
   35   HH21  ARG   3          HH21      ARG   3  49.523   4.463   4.055
   36   HH22  ARG   3          HH22      ARG   3  50.234   4.137   2.509
   37    H    ARG   4           HN       ARG   4  42.632   3.772   6.591
   38    HA   ARG   4           HA       ARG   4  43.858   5.886   8.280
   39    HB2  ARG   4           HB2      ARG   4  43.075   6.332   5.366
   40    HB3  ARG   4           HB1      ARG   4  43.535   7.603   6.523
   41    HG2  ARG   4           HG2      ARG   4  45.737   6.347   6.851
   42    HG3  ARG   4           HG1      ARG   4  45.271   5.339   5.460
   43    HD2  ARG   4           HD2      ARG   4  45.495   8.381   5.416
   44    HD3  ARG   4           HD1      ARG   4  46.726   7.256   4.790
   45    HE   ARG   4           HE       ARG   4  44.263   6.592   3.544
   46   HH11  ARG   4          HH11      ARG   4  47.107   7.792   2.641
   47   HH12  ARG   4          HH12      ARG   4  46.527   9.006   1.549
   48   HH21  ARG   4          HH21      ARG   4  43.235   8.766   2.613
   49   HH22  ARG   4          HH22      ARG   4  44.335   9.557   1.534
   50    H    ILE   5           HN       ILE   5  41.374   3.934   7.569
   51    HA   ILE   5           HA       ILE   5  39.110   3.995   8.031
   52    HB   ILE   5           HB       ILE   5  39.553   6.632   9.492
   53   HG12  ILE   5          HG12      ILE   5  40.165   3.791  10.436
   54   HG13  ILE   5          HG11      ILE   5  41.343   5.101  10.199
   55   HG21  ILE   5          HG21      ILE   5  37.775   4.270  10.229
   56   HG22  ILE   5          HG22      ILE   5  37.221   5.560   9.137
   57   HG23  ILE   5          HG23      ILE   5  37.680   5.950  10.810
   58   HD11  ILE   5           HD1      ILE   5  40.914   5.116  12.535
   59   HD12  ILE   5           HD2      ILE   5  39.167   4.878  12.304
   60   HD13  ILE   5           HD3      ILE   5  39.913   6.445  11.903
   61    H    GLY   6           HN       GLY   6  39.600   4.757   5.543
   62    HA2  GLY   6           HA1      GLY   6  38.924   6.113   3.778
   63    HA3  GLY   6           HA2      GLY   6  37.378   6.104   4.649
   64    H    LYS   7           HN       LYS   7  40.542   7.632   5.378
   65    HA   LYS   7           HA       LYS   7  39.192  10.117   6.143
   66    HB2  LYS   7           HB2      LYS   7  41.233   9.350   7.292
   67    HB3  LYS   7           HB1      LYS   7  42.145   9.476   5.768
   68    HG2  LYS   7           HG2      LYS   7  41.846  11.865   5.683
   69    HG3  LYS   7           HG1      LYS   7  40.654  11.826   7.005
   70    HD2  LYS   7           HD2      LYS   7  42.430  10.978   8.545
   71    HD3  LYS   7           HD1      LYS   7  43.614  11.122   7.223
   72    HE2  LYS   7           HE2      LYS   7  43.065  13.561   7.048
   73    HE3  LYS   7           HE1      LYS   7  41.982  13.388   8.450
   74    HZ1  LYS   7           HZ1      LYS   7  44.854  13.544   8.356
   75    HZ2  LYS   7           HZ2      LYS   7  44.296  12.235   9.287
   76    HZ3  LYS   7           HZ3      LYS   7  43.794  13.817   9.652
   77    H    GLY   8           HN       GLY   8  38.520  11.631   4.788
   78    HA2  GLY   8           HA1      GLY   8  38.985  11.616   2.003
   79    HA3  GLY   8           HA2      GLY   8  38.432  13.018   2.940
   80    H    VAL   9           HN       VAL   9  40.332  12.679   0.617
   81    HA   VAL   9           HA       VAL   9  42.992  13.214   1.584
   82    HB   VAL   9           HB       VAL   9  43.193  14.285  -0.835
   83   HG11  VAL   9          HG11      VAL   9  44.093  12.081  -0.282
   84   HG12  VAL   9          HG12      VAL   9  43.233  11.983  -1.838
   85   HG13  VAL   9          HG13      VAL   9  42.468  11.360  -0.356
   86   HG21  VAL   9          HG21      VAL   9  41.419  13.791  -2.357
   87   HG22  VAL   9          HG22      VAL   9  40.602  14.475  -0.932
   88   HG23  VAL   9          HG23      VAL   9  40.603  12.716  -1.196
   89    H    LYS  10           HN       LYS  10  41.889  15.663  -0.594
   90    HA   LYS  10           HA       LYS  10  41.508  17.681   1.553
   91    HB2  LYS  10           HB2      LYS  10  44.008  17.443   1.160
   92    HB3  LYS  10           HB1      LYS  10  43.725  18.009  -0.503
   93    HG2  LYS  10           HG2      LYS  10  42.689  20.087   0.392
   94    HG3  LYS  10           HG1      LYS  10  43.019  19.526   2.048
   95    HD2  LYS  10           HD2      LYS  10  45.408  19.567   1.662
   96    HD3  LYS  10           HD1      LYS  10  45.173  19.873  -0.076
   97    HE2  LYS  10           HE2      LYS  10  44.174  22.059   0.405
   98    HE3  LYS  10           HE1      LYS  10  44.274  21.751   2.154
   99    HZ1  LYS  10           HZ1      LYS  10  46.144  23.059   0.817
  100    HZ2  LYS  10           HZ2      LYS  10  46.745  21.482   0.619
  101    HZ3  LYS  10           HZ3      LYS  10  46.494  22.108   2.178
  102    H    ILE  11           HN       ILE  11  41.358  16.562  -1.739
  103    HA   ILE  11           HA       ILE  11  39.725  18.993  -2.487
  104    HB   ILE  11           HB       ILE  11  41.186  17.164  -4.436
  105   HG12  ILE  11          HG12      ILE  11  42.126  19.768  -3.145
  106   HG13  ILE  11          HG11      ILE  11  42.863  18.161  -2.942
  107   HG21  ILE  11          HG21      ILE  11  40.297  20.062  -4.751
  108   HG22  ILE  11          HG22      ILE  11  39.232  18.691  -5.145
  109   HG23  ILE  11          HG23      ILE  11  40.762  18.907  -6.023
  110   HD11  ILE  11           HD1      ILE  11  43.123  18.171  -5.535
  111   HD12  ILE  11           HD2      ILE  11  44.214  19.211  -4.589
  112   HD13  ILE  11           HD3      ILE  11  42.809  19.919  -5.418
  113    H    ILE  12           HN       ILE  12  40.206  15.518  -3.315
  114    HA   ILE  12           HA       ILE  12  37.488  15.319  -4.374
  115    HB   ILE  12           HB       ILE  12  39.516  13.184  -3.633
  116   HG12  ILE  12          HG12      ILE  12  38.956  14.084  -6.489
  117   HG13  ILE  12          HG11      ILE  12  40.049  15.051  -5.477
  118   HG21  ILE  12          HG21      ILE  12  37.522  11.957  -3.879
  119   HG22  ILE  12          HG22      ILE  12  38.089  11.962  -5.561
  120   HG23  ILE  12          HG23      ILE  12  36.830  13.106  -5.048
  121   HD11  ILE  12           HD1      ILE  12  41.125  13.204  -6.924
  122   HD12  ILE  12           HD2      ILE  12  40.412  12.048  -5.778
  123   HD13  ILE  12           HD3      ILE  12  41.584  13.256  -5.208
  124    H    GLY  13           HN       GLY  13  38.627  12.740  -2.265
  125    HA2  GLY  13           HA1      GLY  13  36.187  12.554  -0.826
  126    HA3  GLY  13           HA2      GLY  13  37.751  11.908  -0.283
  127    H    GLY  14           HN       GLY  14  38.499  14.843  -0.958
  128    HA2  GLY  14           HA1      GLY  14  38.383  15.819   1.820
  129    HA3  GLY  14           HA2      GLY  14  39.191  16.592   0.441
  130    H    ALA  15           HN       ALA  15  37.183  16.841  -1.455
  131    HA   ALA  15           HA       ALA  15  35.462  18.890  -0.086
  132    HB1  ALA  15           HB1      ALA  15  35.536  18.141  -3.032
  133    HB2  ALA  15           HB2      ALA  15  36.605  19.364  -2.296
  134    HB3  ALA  15           HB3      ALA  15  34.843  19.601  -2.295
  135    H    ALA  16           HN       ALA  16  35.284  16.017   0.409
  136    HA   ALA  16           HA       ALA  16  33.565  14.544   0.858
  137    HB1  ALA  16           HB1      ALA  16  31.327  15.231   0.813
  138    HB2  ALA  16           HB2      ALA  16  31.557  16.258  -0.622
  139    HB3  ALA  16           HB3      ALA  16  32.189  16.780   0.957
  140    H    LEU  17           HN       LEU  17  35.288  14.101  -1.238
  141    HA   LEU  17           HA       LEU  17  35.444  12.789  -3.150
  142    HB2  LEU  17           HB2      LEU  17  32.479  12.159  -2.877
  143    HB3  LEU  17           HB1      LEU  17  33.723  11.195  -3.693
  144    HG   LEU  17           HG       LEU  17  33.980  11.784  -0.720
  145   HD11  LEU  17          HD11      LEU  17  32.783   9.646  -0.268
  146   HD12  LEU  17          HD12      LEU  17  32.338   9.555  -1.989
  147   HD13  LEU  17          HD13      LEU  17  31.715  10.881  -0.977
  148   HD21  LEU  17          HD21      LEU  17  34.732   9.276  -2.276
  149   HD22  LEU  17          HD22      LEU  17  35.363   9.837  -0.710
  150   HD23  LEU  17          HD23      LEU  17  35.812  10.685  -2.205
  151    H    ASP  18           HN       ASP  18  35.001  15.543  -3.461
  152    HA   ASP  18           HA       ASP  18  34.338  17.096  -5.057
  153    HB2  ASP  18           HB2      ASP  18  34.372  14.562  -6.742
  154    HB3  ASP  18           HB1      ASP  18  34.160  16.195  -7.419
  155    H    HIS  19           HN       HIS  19  32.283  15.809  -3.395
  156    HA   HIS  19           HA       HIS  19  29.972  15.644  -3.272
  157    HB2  HIS  19           HB2      HIS  19  30.296  18.080  -3.867
  158    HB3  HIS  19           HB1      HIS  19  30.007  17.641  -5.568
  159    HD1  HIS  19           HD1      HIS  19  27.961  19.523  -4.591
  160    HD2  HIS  19           HD2      HIS  19  27.651  15.413  -3.756
  161    HE1  HIS  19           HE1      HIS  19  25.504  19.030  -4.094
  162    H    LEU  20           HN       LEU  20  30.633  13.432  -4.337
  163    HA   LEU  20           HA       LEU  20  28.548  12.875  -6.288
  164    HB2  LEU  20           HB2      LEU  20  30.451  13.846  -7.695
  165    HB3  LEU  20           HB1      LEU  20  31.409  12.430  -7.210
  166    HG   LEU  20           HG       LEU  20  29.310  11.043  -8.068
  167   HD11  LEU  20          HD11      LEU  20  27.778  12.899  -8.480
  168   HD12  LEU  20          HD12      LEU  20  28.235  12.192 -10.044
  169   HD13  LEU  20          HD13      LEU  20  28.975  13.717  -9.509
  170   HD21  LEU  20          HD21      LEU  20  31.224  12.483  -9.961
  171   HD22  LEU  20          HD22      LEU  20  30.281  11.031 -10.369
  172   HD23  LEU  20          HD23      LEU  20  31.536  10.951  -9.110
  Start of MODEL    8
    1    H1   TRP   1           HT1      TRP   1  40.896   1.551  13.230
    2    H2   TRP   1           HT2      TRP   1  41.806   2.891  12.716
    3    H3   TRP   1           HT3      TRP   1  42.368   1.314  12.424
    4    HA   TRP   1           HA       TRP   1  41.472   2.329  10.444
    5    HB2  TRP   1           HB2      TRP   1  39.555   0.149  11.321
    6    HB3  TRP   1           HB1      TRP   1  40.318   0.402   9.732
    7    HD1  TRP   1           HD1      TRP   1  40.582  -1.754  12.621
    8    HE1  TRP   1           HE1      TRP   1  42.905  -2.903  12.811
    9    HE3  TRP   1           HE3      TRP   1  43.199   1.160   9.320
   10    HZ2  TRP   1           HZ2      TRP   1  45.528  -2.577  11.672
   11    HZ3  TRP   1           HZ3      TRP   1  45.612   0.720   8.889
   12    HH2  TRP   1           HH2      TRP   1  46.776  -1.143  10.060
   13    H    LEU   2           HN       LEU   2  38.971   2.084   9.456
   14    HA   LEU   2           HA       LEU   2  36.986   3.329  11.178
   15    HB2  LEU   2           HB2      LEU   2  38.738   5.179  10.458
   16    HB3  LEU   2           HB1      LEU   2  37.870   5.131   8.910
   17    HG   LEU   2           HG       LEU   2  36.674   5.702  11.661
   18   HD11  LEU   2          HD11      LEU   2  37.938   7.572  10.648
   19   HD12  LEU   2          HD12      LEU   2  36.192   7.918  10.657
   20   HD13  LEU   2          HD13      LEU   2  36.991   7.406   9.151
   21   HD21  LEU   2          HD21      LEU   2  34.981   4.497  10.483
   22   HD22  LEU   2          HD22      LEU   2  35.398   5.262   8.931
   23   HD23  LEU   2          HD23      LEU   2  34.589   6.208  10.203
   24    H    ARG   3           HN       ARG   3  37.772   3.694   7.719
   25    HA   ARG   3           HA       ARG   3  35.982   1.632   6.810
   26    HB2  ARG   3           HB2      ARG   3  34.233   3.184   7.632
   27    HB3  ARG   3           HB1      ARG   3  34.930   4.490   6.644
   28    HG2  ARG   3           HG2      ARG   3  34.430   3.309   4.592
   29    HG3  ARG   3           HG1      ARG   3  33.961   1.844   5.487
   30    HD2  ARG   3           HD2      ARG   3  32.093   3.113   6.546
   31    HD3  ARG   3           HD1      ARG   3  32.543   4.543   5.587
   32    HE   ARG   3           HE       ARG   3  31.368   3.557   3.803
   33   HH11  ARG   3          HH11      ARG   3  30.462   1.509   6.030
   34   HH12  ARG   3          HH12      ARG   3  30.675   0.032   5.150
   35   HH21  ARG   3          HH21      ARG   3  32.548   1.495   2.625
   36   HH22  ARG   3          HH22      ARG   3  31.856   0.025   3.223
   37    H    ARG   4           HN       ARG   4  38.014   4.349   6.533
   38    HA   ARG   4           HA       ARG   4  38.790   3.555   3.773
   39    HB2  ARG   4           HB2      ARG   4  38.253   6.466   4.478
   40    HB3  ARG   4           HB1      ARG   4  38.627   5.772   2.882
   41    HG2  ARG   4           HG2      ARG   4  36.486   4.423   3.063
   42    HG3  ARG   4           HG1      ARG   4  36.095   5.357   4.527
   43    HD2  ARG   4           HD2      ARG   4  36.324   7.467   3.169
   44    HD3  ARG   4           HD1      ARG   4  36.528   6.457   1.717
   45    HE   ARG   4           HE       ARG   4  34.015   7.040   3.016
   46   HH11  ARG   4          HH11      ARG   4  32.292   5.521   2.815
   47   HH12  ARG   4          HH12      ARG   4  32.449   4.258   1.640
   48   HH21  ARG   4          HH21      ARG   4  35.754   4.996   0.900
   49   HH22  ARG   4          HH22      ARG   4  34.409   3.961   0.556
   50    H    ILE   5           HN       ILE   5  39.449   4.376   6.952
   51    HA   ILE   5           HA       ILE   5  41.424   4.798   8.076
   52    HB   ILE   5           HB       ILE   5  42.911   4.138   5.499
   53   HG12  ILE   5          HG12      ILE   5  41.727   2.247   7.584
   54   HG13  ILE   5          HG11      ILE   5  41.181   2.415   5.899
   55   HG21  ILE   5          HG21      ILE   5  43.628   3.510   8.391
   56   HG22  ILE   5          HG22      ILE   5  44.106   5.032   7.602
   57   HG23  ILE   5          HG23      ILE   5  44.688   3.479   6.962
   58   HD11  ILE   5           HD1      ILE   5  43.643   1.853   5.253
   59   HD12  ILE   5           HD2      ILE   5  42.617   0.527   5.850
   60   HD13  ILE   5           HD3      ILE   5  43.803   1.288   6.934
   61    H    GLY   6           HN       GLY   6  42.567   5.764   4.811
   62    HA2  GLY   6           HA1      GLY   6  43.849   8.109   5.678
   63    HA3  GLY   6           HA2      GLY   6  43.273   7.817   4.026
   64    H    LYS   7           HN       LYS   7  40.463   7.559   4.833
   65    HA   LYS   7           HA       LYS   7  38.625   8.968   4.958
   66    HB2  LYS   7           HB2      LYS   7  39.414   9.080   7.339
   67    HB3  LYS   7           HB1      LYS   7  40.335  10.545   6.921
   68    HG2  LYS   7           HG2      LYS   7  38.298  11.717   6.285
   69    HG3  LYS   7           HG1      LYS   7  37.333  10.237   6.498
   70    HD2  LYS   7           HD2      LYS   7  37.769  10.214   8.885
   71    HD3  LYS   7           HD1      LYS   7  38.933  11.553   8.732
   72    HE2  LYS   7           HE2      LYS   7  36.639  12.254   9.553
   73    HE3  LYS   7           HE1      LYS   7  37.181  13.095   8.081
   74    HZ1  LYS   7           HZ1      LYS   7  34.812  11.966   8.264
   75    HZ2  LYS   7           HZ2      LYS   7  35.682  10.602   7.743
   76    HZ3  LYS   7           HZ3      LYS   7  35.669  12.017   6.802
   77    H    GLY   8           HN       GLY   8  39.046   9.593   2.730
   78    HA2  GLY   8           HA1      GLY   8  39.021  11.291   1.151
   79    HA3  GLY   8           HA2      GLY   8  39.105  12.475   2.471
   80    H    VAL   9           HN       VAL   9  40.536  13.754   1.208
   81    HA   VAL   9           HA       VAL   9  43.364  12.875   1.518
   82    HB   VAL   9           HB       VAL   9  42.240  13.793  -1.172
   83   HG11  VAL   9          HG11      VAL   9  44.614  13.249  -1.910
   84   HG12  VAL   9          HG12      VAL   9  45.046  13.116  -0.189
   85   HG13  VAL   9          HG13      VAL   9  44.478  14.668  -0.848
   86   HG21  VAL   9          HG21      VAL   9  43.257  11.108  -0.146
   87   HG22  VAL   9          HG22      VAL   9  43.068  11.484  -1.874
   88   HG23  VAL   9          HG23      VAL   9  41.647  11.476  -0.807
   89    H    LYS  10           HN       LYS  10  41.967  15.452  -0.526
   90    HA   LYS  10           HA       LYS  10  42.242  17.513   1.482
   91    HB2  LYS  10           HB2      LYS  10  44.702  16.717   0.558
   92    HB3  LYS  10           HB1      LYS  10  44.320  17.958  -0.650
   93    HG2  LYS  10           HG2      LYS  10  44.308  18.341   2.383
   94    HG3  LYS  10           HG1      LYS  10  45.561  18.922   1.260
   95    HD2  LYS  10           HD2      LYS  10  43.619  20.168   0.049
   96    HD3  LYS  10           HD1      LYS  10  42.676  19.844   1.525
   97    HE2  LYS  10           HE2      LYS  10  45.204  21.494   1.227
   98    HE3  LYS  10           HE1      LYS  10  43.632  21.984   1.902
   99    HZ1  LYS  10           HZ1      LYS  10  44.524  21.481   3.866
  100    HZ2  LYS  10           HZ2      LYS  10  45.840  20.657   3.175
  101    HZ3  LYS  10           HZ3      LYS  10  44.367  19.849   3.428
  102    H    ILE  11           HN       ILE  11  41.657  16.303  -1.680
  103    HA   ILE  11           HA       ILE  11  40.419  18.931  -2.518
  104    HB   ILE  11           HB       ILE  11  41.307  16.686  -4.369
  105   HG12  ILE  11          HG12      ILE  11  42.843  19.169  -3.470
  106   HG13  ILE  11          HG11      ILE  11  43.287  17.478  -3.143
  107   HG21  ILE  11          HG21      ILE  11  41.050  18.324  -6.103
  108   HG22  ILE  11          HG22      ILE  11  40.938  19.659  -4.931
  109   HG23  ILE  11          HG23      ILE  11  39.605  18.489  -5.080
  110   HD11  ILE  11           HD1      ILE  11  43.273  17.181  -5.732
  111   HD12  ILE  11           HD2      ILE  11  44.630  18.076  -5.008
  112   HD13  ILE  11           HD3      ILE  11  43.303  18.961  -5.794
  113    H    ILE  12           HN       ILE  12  40.202  15.372  -2.941
  114    HA   ILE  12           HA       ILE  12  37.434  15.512  -3.825
  115    HB   ILE  12           HB       ILE  12  39.057  13.189  -2.740
  116   HG12  ILE  12          HG12      ILE  12  40.244  14.156  -4.616
  117   HG13  ILE  12          HG11      ILE  12  39.485  12.654  -5.175
  118   HG21  ILE  12          HG21      ILE  12  36.894  12.308  -2.780
  119   HG22  ILE  12          HG22      ILE  12  37.357  11.980  -4.464
  120   HG23  ILE  12          HG23      ILE  12  36.348  13.393  -4.078
  121   HD11  ILE  12           HD1      ILE  12  38.978  14.170  -6.910
  122   HD12  ILE  12           HD2      ILE  12  38.718  15.524  -5.789
  123   HD13  ILE  12           HD3      ILE  12  37.504  14.229  -5.919
  124    H    GLY  13           HN       GLY  13  38.139  13.136  -1.342
  125    HA2  GLY  13           HA1      GLY  13  35.827  13.662   0.185
  126    HA3  GLY  13           HA2      GLY  13  37.300  12.885   0.804
  127    H    GLY  14           HN       GLY  14  38.548  15.453  -0.384
  128    HA2  GLY  14           HA1      GLY  14  38.687  16.910   2.166
  129    HA3  GLY  14           HA2      GLY  14  39.555  17.287   0.663
  130    H    ALA  15           HN       ALA  15  37.523  17.534  -1.211
  131    HA   ALA  15           HA       ALA  15  36.259  20.074  -0.236
  132    HB1  ALA  15           HB1      ALA  15  37.324  19.938  -2.512
  133    HB2  ALA  15           HB2      ALA  15  35.613  20.421  -2.540
  134    HB3  ALA  15           HB3      ALA  15  36.070  18.759  -2.974
  135    H    ALA  16           HN       ALA  16  35.605  17.394   0.791
  136    HA   ALA  16           HA       ALA  16  33.662  16.433   1.600
  137    HB1  ALA  16           HB1      ALA  16  31.584  17.484   1.412
  138    HB2  ALA  16           HB2      ALA  16  31.901  18.064  -0.240
  139    HB3  ALA  16           HB3      ALA  16  32.695  18.847   1.147
  140    H    LEU  17           HN       LEU  17  35.244  15.387  -0.516
  141    HA   LEU  17           HA       LEU  17  35.092  13.666  -2.067
  142    HB2  LEU  17           HB2      LEU  17  33.076  13.146  -0.260
  143    HB3  LEU  17           HB1      LEU  17  32.135  13.234  -1.762
  144    HG   LEU  17           HG       LEU  17  34.610  11.480  -1.355
  145   HD11  LEU  17          HD11      LEU  17  32.980   9.611  -1.308
  146   HD12  LEU  17          HD12      LEU  17  31.641  10.782  -1.384
  147   HD13  LEU  17          HD13      LEU  17  32.710  10.742   0.040
  148   HD21  LEU  17          HD21      LEU  17  34.326  12.040  -3.694
  149   HD22  LEU  17          HD22      LEU  17  32.568  11.774  -3.602
  150   HD23  LEU  17          HD23      LEU  17  33.687  10.396  -3.468
  151    H    ASP  18           HN       ASP  18  34.200  16.586  -2.552
  152    HA   ASP  18           HA       ASP  18  33.459  17.836  -4.355
  153    HB2  ASP  18           HB2      ASP  18  35.210  16.566  -5.527
  154    HB3  ASP  18           HB1      ASP  18  34.051  15.261  -5.870
  155    H    HIS  19           HN       HIS  19  32.318  14.736  -5.694
  156    HA   HIS  19           HA       HIS  19  29.780  15.720  -6.437
  157    HB2  HIS  19           HB2      HIS  19  30.875  13.552  -7.170
  158    HB3  HIS  19           HB1      HIS  19  30.378  12.853  -5.610
  159    HD1  HIS  19           HD1      HIS  19  27.615  14.689  -5.700
  160    HD2  HIS  19           HD2      HIS  19  28.954  11.863  -8.514
  161    HE1  HIS  19           HE1      HIS  19  25.568  13.868  -6.989
  162    H    LEU  20           HN       LEU  20  30.304  13.360  -3.773
  163    HA   LEU  20           HA       LEU  20  27.793  14.262  -2.497
  164    HB2  LEU  20           HB2      LEU  20  29.794  12.276  -1.369
  165    HB3  LEU  20           HB1      LEU  20  28.040  12.376  -1.079
  166    HG   LEU  20           HG       LEU  20  29.412  11.613  -3.696
  167   HD11  LEU  20          HD11      LEU  20  27.670  10.052  -1.735
  168   HD12  LEU  20          HD12      LEU  20  29.420   9.838  -1.982
  169   HD13  LEU  20          HD13      LEU  20  28.282   9.432  -3.288
  170   HD21  LEU  20          HD21      LEU  20  27.434  12.811  -4.315
  171   HD22  LEU  20          HD22      LEU  20  26.494  12.116  -2.972
  172   HD23  LEU  20          HD23      LEU  20  26.962  11.097  -4.356
  Start of MODEL    9
    1    H1   TRP   1           HT1      TRP   1  38.846   1.060  12.522
    2    H2   TRP   1           HT2      TRP   1  37.474   0.066  12.379
    3    H3   TRP   1           HT3      TRP   1  37.297   1.723  12.709
    4    HA   TRP   1           HA       TRP   1  38.548   0.679  10.257
    5    HB2  TRP   1           HB2      TRP   1  35.662   1.502  10.769
    6    HB3  TRP   1           HB1      TRP   1  36.370   1.212   9.162
    7    HD1  TRP   1           HD1      TRP   1  36.838  -1.263   8.450
    8    HE1  TRP   1           HE1      TRP   1  36.163  -3.582   9.416
    9    HE3  TRP   1           HE3      TRP   1  35.206   0.230  13.067
   10    HZ2  TRP   1           HZ2      TRP   1  35.064  -4.614  11.869
   11    HZ3  TRP   1           HZ3      TRP   1  34.350  -1.438  14.704
   12    HH2  TRP   1           HH2      TRP   1  34.277  -3.856  14.111
   13    H    LEU   2           HN       LEU   2  38.171   2.390   8.496
   14    HA   LEU   2           HA       LEU   2  39.436   4.821   9.362
   15    HB2  LEU   2           HB2      LEU   2  37.845   4.488   6.795
   16    HB3  LEU   2           HB1      LEU   2  39.259   5.526   7.091
   17    HG   LEU   2           HG       LEU   2  39.213   2.476   7.009
   18   HD11  LEU   2          HD11      LEU   2  39.148   3.732   4.821
   19   HD12  LEU   2          HD12      LEU   2  40.615   2.747   5.038
   20   HD13  LEU   2          HD13      LEU   2  40.682   4.511   5.277
   21   HD21  LEU   2          HD21      LEU   2  41.376   4.466   7.810
   22   HD22  LEU   2          HD22      LEU   2  41.774   2.836   7.218
   23   HD23  LEU   2          HD23      LEU   2  40.811   3.032   8.700
   24    H    ARG   3           HN       ARG   3  36.300   3.748   9.753
   25    HA   ARG   3           HA       ARG   3  34.402   4.780  10.557
   26    HB2  ARG   3           HB2      ARG   3  35.885   7.428  10.618
   27    HB3  ARG   3           HB1      ARG   3  34.496   6.912  11.597
   28    HG2  ARG   3           HG2      ARG   3  36.054   5.019  12.475
   29    HG3  ARG   3           HG1      ARG   3  37.385   5.976  11.782
   30    HD2  ARG   3           HD2      ARG   3  37.099   6.570  14.139
   31    HD3  ARG   3           HD1      ARG   3  36.613   7.948  13.123
   32    HE   ARG   3           HE       ARG   3  34.237   6.595  13.516
   33   HH11  ARG   3          HH11      ARG   3  33.911   5.626  15.845
   34   HH12  ARG   3          HH12      ARG   3  34.115   6.829  17.075
   35   HH21  ARG   3          HH21      ARG   3  35.729   9.074  14.983
   36   HH22  ARG   3          HH22      ARG   3  35.144   8.781  16.587
   37    H    ARG   4           HN       ARG   4  35.945   7.361   8.557
   38    HA   ARG   4           HA       ARG   4  33.406   8.002   7.307
   39    HB2  ARG   4           HB2      ARG   4  36.252   8.727   6.502
   40    HB3  ARG   4           HB1      ARG   4  34.768   9.476   5.864
   41    HG2  ARG   4           HG2      ARG   4  34.164  10.283   8.094
   42    HG3  ARG   4           HG1      ARG   4  35.560   9.439   8.810
   43    HD2  ARG   4           HD2      ARG   4  37.095  10.827   7.435
   44    HD3  ARG   4           HD1      ARG   4  35.693  11.683   6.746
   45    HE   ARG   4           HE       ARG   4  35.630  11.812   9.629
   46   HH11  ARG   4          HH11      ARG   4  38.242  12.725   9.771
   47   HH12  ARG   4          HH12      ARG   4  38.226  14.360   9.204
   48   HH21  ARG   4          HH21      ARG   4  35.157  14.062   7.621
   49   HH22  ARG   4          HH22      ARG   4  36.478  15.118   7.987
   50    H    ILE   5           HN       ILE   5  35.613   5.472   6.884
   51    HA   ILE   5           HA       ILE   5  35.854   3.862   5.239
   52    HB   ILE   5           HB       ILE   5  33.226   4.822   4.032
   53   HG12  ILE   5          HG12      ILE   5  33.693   3.138   6.536
   54   HG13  ILE   5          HG11      ILE   5  32.870   4.711   6.445
   55   HG21  ILE   5          HG21      ILE   5  32.995   2.545   3.331
   56   HG22  ILE   5          HG22      ILE   5  34.290   1.993   4.421
   57   HG23  ILE   5          HG23      ILE   5  34.688   2.967   2.985
   58   HD11  ILE   5           HD1      ILE   5  31.099   3.127   6.506
   59   HD12  ILE   5           HD2      ILE   5  31.929   2.028   5.381
   60   HD13  ILE   5           HD3      ILE   5  31.239   3.558   4.785
   61    H    GLY   6           HN       GLY   6  37.429   5.906   4.683
   62    HA2  GLY   6           HA1      GLY   6  38.076   5.770   2.026
   63    HA3  GLY   6           HA2      GLY   6  36.844   7.047   2.037
   64    H    LYS   7           HN       LYS   7  37.640   7.895   4.793
   65    HA   LYS   7           HA       LYS   7  39.035   9.513   5.692
   66    HB2  LYS   7           HB2      LYS   7  40.653   7.546   5.487
   67    HB3  LYS   7           HB1      LYS   7  41.247   8.304   3.990
   68    HG2  LYS   7           HG2      LYS   7  41.567  10.451   5.418
   69    HG3  LYS   7           HG1      LYS   7  41.357   9.392   6.831
   70    HD2  LYS   7           HD2      LYS   7  43.430   8.977   4.630
   71    HD3  LYS   7           HD1      LYS   7  43.762   9.707   6.217
   72    HE2  LYS   7           HE2      LYS   7  42.794   7.547   7.240
   73    HE3  LYS   7           HE1      LYS   7  42.910   6.854   5.605
   74    HZ1  LYS   7           HZ1      LYS   7  45.026   6.435   6.059
   75    HZ2  LYS   7           HZ2      LYS   7  44.966   7.300   7.520
   76    HZ3  LYS   7           HZ3      LYS   7  45.325   8.105   6.068
   77    H    GLY   8           HN       GLY   8  38.290  11.420   4.911
   78    HA2  GLY   8           HA1      GLY   8  38.356  12.336   2.272
   79    HA3  GLY   8           HA2      GLY   8  38.391  13.390   3.699
   80    H    VAL   9           HN       VAL   9  39.863  12.907   0.876
   81    HA   VAL   9           HA       VAL   9  42.664  12.903   1.668
   82    HB   VAL   9           HB       VAL   9  42.880  13.839  -0.813
   83   HG11  VAL   9          HG11      VAL   9  43.456  11.545  -0.226
   84   HG12  VAL   9          HG12      VAL   9  42.458  11.520  -1.699
   85   HG13  VAL   9          HG13      VAL   9  41.738  11.094  -0.129
   86   HG21  VAL   9          HG21      VAL   9  40.951  13.587  -2.198
   87   HG22  VAL   9          HG22      VAL   9  40.353  14.448  -0.761
   88   HG23  VAL   9          HG23      VAL   9  40.053  12.705  -0.939
   89    H    LYS  10           HN       LYS  10  41.828  15.424  -0.555
   90    HA   LYS  10           HA       LYS  10  41.874  17.560   1.484
   91    HB2  LYS  10           HB2      LYS  10  44.302  16.853   1.095
   92    HB3  LYS  10           HB1      LYS  10  44.112  17.442  -0.574
   93    HG2  LYS  10           HG2      LYS  10  43.418  19.677   0.343
   94    HG3  LYS  10           HG1      LYS  10  43.753  19.070   1.983
   95    HD2  LYS  10           HD2      LYS  10  46.093  18.746   1.469
   96    HD3  LYS  10           HD1      LYS  10  45.815  19.070  -0.259
   97    HE2  LYS  10           HE2      LYS  10  45.275  21.097   1.950
   98    HE3  LYS  10           HE1      LYS  10  46.788  21.028   1.016
   99    HZ1  LYS  10           HZ1      LYS  10  44.611  20.941  -0.763
  100    HZ2  LYS  10           HZ2      LYS  10  45.803  22.143  -0.607
  101    HZ3  LYS  10           HZ3      LYS  10  44.370  22.240   0.301
  102    H    ILE  11           HN       ILE  11  41.531  16.337  -1.756
  103    HA   ILE  11           HA       ILE  11  40.378  18.987  -2.646
  104    HB   ILE  11           HB       ILE  11  41.388  16.765  -4.461
  105   HG12  ILE  11          HG12      ILE  11  42.878  19.201  -3.378
  106   HG13  ILE  11          HG11      ILE  11  43.272  17.496  -3.063
  107   HG21  ILE  11          HG21      ILE  11  41.111  19.753  -4.988
  108   HG22  ILE  11          HG22      ILE  11  39.777  18.609  -5.271
  109   HG23  ILE  11          HG23      ILE  11  41.298  18.439  -6.174
  110   HD11  ILE  11           HD1      ILE  11  43.468  17.267  -5.651
  111   HD12  ILE  11           HD2      ILE  11  44.771  18.124  -4.794
  112   HD13  ILE  11           HD3      ILE  11  43.523  19.047  -5.662
  113    H    ILE  12           HN       ILE  12  40.137  15.428  -3.131
  114    HA   ILE  12           HA       ILE  12  37.354  15.730  -4.087
  115    HB   ILE  12           HB       ILE  12  38.992  13.243  -3.485
  116   HG12  ILE  12          HG12      ILE  12  40.190  14.510  -5.148
  117   HG13  ILE  12          HG11      ILE  12  39.369  13.189  -5.999
  118   HG21  ILE  12          HG21      ILE  12  36.789  12.454  -3.653
  119   HG22  ILE  12          HG22      ILE  12  37.283  12.365  -5.357
  120   HG23  ILE  12          HG23      ILE  12  36.293  13.728  -4.787
  121   HD11  ILE  12           HD1      ILE  12  38.931  15.069  -7.363
  122   HD12  ILE  12           HD2      ILE  12  38.691  16.147  -5.971
  123   HD13  ILE  12           HD3      ILE  12  37.452  14.941  -6.387
  124    H    GLY  13           HN       GLY  13  38.099  12.934  -2.111
  125    HA2  GLY  13           HA1      GLY  13  35.841  13.183  -0.445
  126    HA3  GLY  13           HA2      GLY  13  37.318  12.292  -0.023
  127    H    GLY  14           HN       GLY  14  38.567  15.016  -0.727
  128    HA2  GLY  14           HA1      GLY  14  38.777  15.986   2.038
  129    HA3  GLY  14           HA2      GLY  14  39.640  16.606   0.611
  130    H    ALA  15           HN       ALA  15  37.649  17.268  -1.176
  131    HA   ALA  15           HA       ALA  15  36.431  19.593   0.265
  132    HB1  ALA  15           HB1      ALA  15  36.114  18.823  -2.655
  133    HB2  ALA  15           HB2      ALA  15  37.475  19.793  -2.035
  134    HB3  ALA  15           HB3      ALA  15  35.811  20.403  -1.900
  135    H    ALA  16           HN       ALA  16  35.687  16.832   0.870
  136    HA   ALA  16           HA       ALA  16  33.714  15.838   1.550
  137    HB1  ALA  16           HB1      ALA  16  32.820  18.313   1.426
  138    HB2  ALA  16           HB2      ALA  16  31.666  16.959   1.504
  139    HB3  ALA  16           HB3      ALA  16  32.006  17.750  -0.053
  140    H    LEU  17           HN       LEU  17  35.261  15.055  -0.749
  141    HA   LEU  17           HA       LEU  17  35.032  13.718  -2.647
  142    HB2  LEU  17           HB2      LEU  17  33.531  12.616  -0.650
  143    HB3  LEU  17           HB1      LEU  17  32.261  12.832  -1.871
  144    HG   LEU  17           HG       LEU  17  34.916  11.381  -2.318
  145   HD11  LEU  17          HD11      LEU  17  32.070  10.344  -1.960
  146   HD12  LEU  17          HD12      LEU  17  33.413  10.143  -0.810
  147   HD13  LEU  17          HD13      LEU  17  33.478   9.350  -2.404
  148   HD21  LEU  17          HD21      LEU  17  33.816  10.656  -4.441
  149   HD22  LEU  17          HD22      LEU  17  34.045  12.419  -4.375
  150   HD23  LEU  17          HD23      LEU  17  32.437  11.716  -4.069
  151    H    ASP  18           HN       ASP  18  34.216  16.451  -2.932
  152    HA   ASP  18           HA       ASP  18  33.061  17.817  -4.411
  153    HB2  ASP  18           HB2      ASP  18  33.017  15.208  -5.975
  154    HB3  ASP  18           HB1      ASP  18  32.541  16.785  -6.648
  155    H    HIS  19           HN       HIS  19  31.278  14.911  -5.396
  156    HA   HIS  19           HA       HIS  19  28.739  16.034  -5.423
  157    HB2  HIS  19           HB2      HIS  19  29.480  13.202  -4.587
  158    HB3  HIS  19           HB1      HIS  19  27.863  13.736  -5.109
  159    HD1  HIS  19           HD1      HIS  19  31.479  13.747  -6.433
  160    HD2  HIS  19           HD2      HIS  19  27.522  13.648  -7.855
  161    HE1  HIS  19           HE1      HIS  19  31.587  13.418  -8.964
  162    H    LEU  20           HN       LEU  20  29.942  14.003  -2.701
  163    HA   LEU  20           HA       LEU  20  27.805  14.935  -0.957
  164    HB2  LEU  20           HB2      LEU  20  30.326  13.286  -0.564
  165    HB3  LEU  20           HB1      LEU  20  29.320  13.773   0.820
  166    HG   LEU  20           HG       LEU  20  27.349  12.698  -0.229
  167   HD11  LEU  20          HD11      LEU  20  27.751  12.856  -2.572
  168   HD12  LEU  20          HD12      LEU  20  27.901  11.121  -2.218
  169   HD13  LEU  20          HD13      LEU  20  29.362  12.114  -2.434
  170   HD21  LEU  20          HD21      LEU  20  28.782  11.392   1.303
  171   HD22  LEU  20          HD22      LEU  20  29.817  10.908  -0.062
  172   HD23  LEU  20          HD23      LEU  20  28.128  10.347   0.019
  Start of MODEL   10
    1    H1   TRP   1           HT1      TRP   1  41.298   7.561   6.633
    2    H2   TRP   1           HT2      TRP   1  39.734   7.158   7.161
    3    H3   TRP   1           HT3      TRP   1  40.567   6.130   6.095
    4    HA   TRP   1           HA       TRP   1  40.424   5.712   8.674
    5    HB2  TRP   1           HB2      TRP   1  42.817   5.188   6.864
    6    HB3  TRP   1           HB1      TRP   1  42.489   4.350   8.401
    7    HD1  TRP   1           HD1      TRP   1  41.531   4.410   4.767
    8    HE1  TRP   1           HE1      TRP   1  39.779   2.558   4.253
    9    HE3  TRP   1           HE3      TRP   1  40.387   3.028   9.563
   10    HZ2  TRP   1           HZ2      TRP   1  38.122   0.739   5.748
   11    HZ3  TRP   1           HZ3      TRP   1  38.719   1.231   9.995
   12    HH2  TRP   1           HH2      TRP   1  37.586   0.086   8.094
   13    H    LEU   2           HN       LEU   2  42.677   5.414  10.033
   14    HA   LEU   2           HA       LEU   2  43.967   6.583  11.563
   15    HB2  LEU   2           HB2      LEU   2  44.696   7.857   8.925
   16    HB3  LEU   2           HB1      LEU   2  45.465   8.404  10.429
   17    HG   LEU   2           HG       LEU   2  46.743   6.614   9.152
   18   HD11  LEU   2          HD11      LEU   2  46.787   7.031  11.761
   19   HD12  LEU   2          HD12      LEU   2  47.556   5.577  11.093
   20   HD13  LEU   2          HD13      LEU   2  45.956   5.461  11.849
   21   HD21  LEU   2          HD21      LEU   2  44.541   4.749  10.141
   22   HD22  LEU   2          HD22      LEU   2  45.938   4.342   9.117
   23   HD23  LEU   2          HD23      LEU   2  44.635   5.369   8.476
   24    H    ARG   3           HN       ARG   3  43.622   9.446   9.582
   25    HA   ARG   3           HA       ARG   3  41.414  10.597  11.031
   26    HB2  ARG   3           HB2      ARG   3  43.365  10.566  12.765
   27    HB3  ARG   3           HB1      ARG   3  44.099  11.829  11.754
   28    HG2  ARG   3           HG2      ARG   3  42.878  13.156  13.249
   29    HG3  ARG   3           HG1      ARG   3  41.674  12.958  11.957
   30    HD2  ARG   3           HD2      ARG   3  40.460  12.454  13.928
   31    HD3  ARG   3           HD1      ARG   3  40.905  10.845  13.312
   32    HE   ARG   3           HE       ARG   3  42.993  11.599  15.033
   33   HH11  ARG   3          HH11      ARG   3  42.523   9.515  16.385
   34   HH12  ARG   3          HH12      ARG   3  41.229   9.747  17.513
   35   HH21  ARG   3          HH21      ARG   3  40.046  12.619  15.970
   36   HH22  ARG   3          HH22      ARG   3  39.826  11.505  17.279
   37    H    ARG   4           HN       ARG   4  43.887  10.446   8.765
   38    HA   ARG   4           HA       ARG   4  42.645  12.467   7.095
   39    HB2  ARG   4           HB2      ARG   4  44.622  13.950   6.910
   40    HB3  ARG   4           HB1      ARG   4  43.938  13.971   8.554
   41    HG2  ARG   4           HG2      ARG   4  45.637  12.182   9.177
   42    HG3  ARG   4           HG1      ARG   4  46.399  12.456   7.591
   43    HD2  ARG   4           HD2      ARG   4  46.047  14.471   9.847
   44    HD3  ARG   4           HD1      ARG   4  47.573  13.832   9.193
   45    HE   ARG   4           HE       ARG   4  46.198  15.055   7.040
   46   HH11  ARG   4          HH11      ARG   4  45.556  16.924   9.394
   47   HH12  ARG   4          HH12      ARG   4  46.840  18.077   9.249
   48   HH21  ARG   4          HH21      ARG   4  48.743  16.087   7.140
   49   HH22  ARG   4          HH22      ARG   4  48.644  17.603   7.972
   50    H    ILE   5           HN       ILE   5  44.512   9.737   7.716
   51    HA   ILE   5           HA       ILE   5  45.677   9.743   4.923
   52    HB   ILE   5           HB       ILE   5  46.368   7.821   7.180
   53   HG12  ILE   5          HG12      ILE   5  47.666  10.483   6.436
   54   HG13  ILE   5          HG11      ILE   5  46.842  10.102   7.965
   55   HG21  ILE   5          HG21      ILE   5  48.023   8.709   4.784
   56   HG22  ILE   5          HG22      ILE   5  46.904   7.327   4.708
   57   HG23  ILE   5          HG23      ILE   5  48.278   7.296   5.836
   58   HD11  ILE   5           HD1      ILE   5  49.479   9.019   6.918
   59   HD12  ILE   5           HD2      ILE   5  48.569   8.165   8.189
   60   HD13  ILE   5           HD3      ILE   5  49.146   9.826   8.467
   61    H    GLY   6           HN       GLY   6  43.189   9.384   4.536
   62    HA2  GLY   6           HA1      GLY   6  42.801   6.912   3.382
   63    HA3  GLY   6           HA2      GLY   6  42.253   6.663   5.052
   64    H    LYS   7           HN       LYS   7  41.824   9.878   4.335
   65    HA   LYS   7           HA       LYS   7  39.342   9.689   2.810
   66    HB2  LYS   7           HB2      LYS   7  37.918  10.572   4.724
   67    HB3  LYS   7           HB1      LYS   7  38.393   8.863   4.857
   68    HG2  LYS   7           HG2      LYS   7  40.212   9.440   6.390
   69    HG3  LYS   7           HG1      LYS   7  39.867  11.175   6.189
   70    HD2  LYS   7           HD2      LYS   7  37.599  10.832   7.139
   71    HD3  LYS   7           HD1      LYS   7  37.958   9.101   7.358
   72    HE2  LYS   7           HE2      LYS   7  39.612  11.342   8.594
   73    HE3  LYS   7           HE1      LYS   7  38.292  10.502   9.442
   74    HZ1  LYS   7           HZ1      LYS   7  39.880   8.523   8.343
   75    HZ2  LYS   7           HZ2      LYS   7  39.767   8.956   9.982
   76    HZ3  LYS   7           HZ3      LYS   7  40.967   9.648   8.999
   77    H    GLY   8           HN       GLY   8  41.620  11.436   4.845
   78    HA2  GLY   8           HA1      GLY   8  40.561  14.074   4.158
   79    HA3  GLY   8           HA2      GLY   8  42.082  13.716   5.002
   80    H    VAL   9           HN       VAL   9  40.707  13.002   1.757
   81    HA   VAL   9           HA       VAL   9  43.265  13.181   0.455
   82    HB   VAL   9           HB       VAL   9  40.527  13.611  -0.814
   83   HG11  VAL   9          HG11      VAL   9  42.370  14.167  -2.305
   84   HG12  VAL   9          HG12      VAL   9  41.721  12.582  -2.790
   85   HG13  VAL   9          HG13      VAL   9  43.236  12.677  -1.861
   86   HG21  VAL   9          HG21      VAL   9  42.065  11.030  -0.272
   87   HG22  VAL   9          HG22      VAL   9  40.552  11.159  -1.201
   88   HG23  VAL   9          HG23      VAL   9  40.564  11.535   0.540
   89    H    LYS  10           HN       LYS  10  40.972  15.543   1.519
   90    HA   LYS  10           HA       LYS  10  41.103  17.852   1.540
   91    HB2  LYS  10           HB2      LYS  10  43.661  17.329   1.643
   92    HB3  LYS  10           HB1      LYS  10  43.673  17.786  -0.075
   93    HG2  LYS  10           HG2      LYS  10  42.425  19.940   0.686
   94    HG3  LYS  10           HG1      LYS  10  42.940  19.494   2.330
   95    HD2  LYS  10           HD2      LYS  10  45.305  19.430   1.560
   96    HD3  LYS  10           HD1      LYS  10  44.775  19.916  -0.069
   97    HE2  LYS  10           HE2      LYS  10  44.313  21.534   2.476
   98    HE3  LYS  10           HE1      LYS  10  45.583  21.861   1.271
   99    HZ1  LYS  10           HZ1      LYS  10  42.645  22.068   0.965
  100    HZ2  LYS  10           HZ2      LYS  10  43.660  21.914  -0.388
  101    HZ3  LYS  10           HZ3      LYS  10  43.830  23.242   0.659
  102    H    ILE  11           HN       ILE  11  41.361  15.997  -1.364
  103    HA   ILE  11           HA       ILE  11  40.361  18.330  -3.004
  104    HB   ILE  11           HB       ILE  11  41.525  15.723  -4.041
  105   HG12  ILE  11          HG12      ILE  11  42.937  18.359  -3.417
  106   HG13  ILE  11          HG11      ILE  11  43.229  16.791  -2.631
  107   HG21  ILE  11          HG21      ILE  11  40.105  17.298  -5.515
  108   HG22  ILE  11          HG22      ILE  11  41.730  16.907  -6.120
  109   HG23  ILE  11          HG23      ILE  11  41.424  18.480  -5.343
  110   HD11  ILE  11           HD1      ILE  11  43.884  17.633  -5.473
  111   HD12  ILE  11           HD2      ILE  11  43.761  15.914  -5.027
  112   HD13  ILE  11           HD3      ILE  11  44.968  16.956  -4.237
  113    H    ILE  12           HN       ILE  12  40.026  14.788  -2.522
  114    HA   ILE  12           HA       ILE  12  37.373  14.877  -3.894
  115    HB   ILE  12           HB       ILE  12  38.985  12.539  -2.804
  116   HG12  ILE  12          HG12      ILE  12  40.276  13.627  -4.542
  117   HG13  ILE  12          HG11      ILE  12  39.596  12.134  -5.219
  118   HG21  ILE  12          HG21      ILE  12  36.851  11.623  -3.042
  119   HG22  ILE  12          HG22      ILE  12  37.431  11.395  -4.704
  120   HG23  ILE  12          HG23      ILE  12  36.369  12.767  -4.313
  121   HD11  ILE  12           HD1      ILE  12  38.794  15.010  -5.757
  122   HD12  ILE  12           HD2      ILE  12  37.635  13.691  -6.037
  123   HD13  ILE  12           HD3      ILE  12  39.176  13.720  -6.917
  124    H    GLY  13           HN       GLY  13  37.906  12.388  -1.512
  125    HA2  GLY  13           HA1      GLY  13  35.530  12.868  -0.083
  126    HA3  GLY  13           HA2      GLY  13  36.959  12.043   0.580
  127    H    GLY  14           HN       GLY  14  38.324  14.652  -0.350
  128    HA2  GLY  14           HA1      GLY  14  38.219  15.986   2.277
  129    HA3  GLY  14           HA2      GLY  14  39.281  16.378   0.909
  130    H    ALA  15           HN       ALA  15  37.547  16.783  -1.200
  131    HA   ALA  15           HA       ALA  15  36.288  19.344  -0.312
  132    HB1  ALA  15           HB1      ALA  15  36.210  18.113  -3.085
  133    HB2  ALA  15           HB2      ALA  15  37.602  19.050  -2.485
  134    HB3  ALA  15           HB3      ALA  15  36.005  19.818  -2.626
  135    H    ALA  16           HN       ALA  16  35.409  16.579   0.482
  136    HA   ALA  16           HA       ALA  16  33.328  15.765   1.116
  137    HB1  ALA  16           HB1      ALA  16  31.838  17.486  -0.872
  138    HB2  ALA  16           HB2      ALA  16  32.534  18.233   0.584
  139    HB3  ALA  16           HB3      ALA  16  31.340  16.925   0.741
  140    H    LEU  17           HN       LEU  17  35.045  14.596  -0.771
  141    HA   LEU  17           HA       LEU  17  34.979  12.913  -2.375
  142    HB2  LEU  17           HB2      LEU  17  32.985  12.266  -0.784
  143    HB3  LEU  17           HB1      LEU  17  31.958  12.810  -2.126
  144    HG   LEU  17           HG       LEU  17  33.548  11.219  -3.584
  145   HD11  LEU  17          HD11      LEU  17  33.763  10.028  -0.780
  146   HD12  LEU  17          HD12      LEU  17  35.110  10.659  -1.753
  147   HD13  LEU  17          HD13      LEU  17  34.236   9.206  -2.284
  148   HD21  LEU  17          HD21      LEU  17  31.349  10.248  -1.706
  149   HD22  LEU  17          HD22      LEU  17  31.991   9.295  -3.066
  150   HD23  LEU  17          HD23      LEU  17  31.156  10.837  -3.373
  151    H    ASP  18           HN       ASP  18  33.891  15.916  -2.834
  152    HA   ASP  18           HA       ASP  18  33.274  17.162  -4.692
  153    HB2  ASP  18           HB2      ASP  18  35.414  16.101  -5.500
  154    HB3  ASP  18           HB1      ASP  18  34.431  14.834  -6.272
  155    H    HIS  19           HN       HIS  19  31.254  15.471  -3.586
  156    HA   HIS  19           HA       HIS  19  29.187  14.551  -4.120
  157    HB2  HIS  19           HB2      HIS  19  29.492  16.326  -6.575
  158    HB3  HIS  19           HB1      HIS  19  27.967  15.678  -5.925
  159    HD1  HIS  19           HD1      HIS  19  29.422  18.782  -6.061
  160    HD2  HIS  19           HD2      HIS  19  28.275  16.426  -2.769
  161    HE1  HIS  19           HE1      HIS  19  29.108  20.355  -4.071
  162    H    LEU  20           HN       LEU  20  30.991  12.694  -4.609
  163    HA   LEU  20           HA       LEU  20  31.479  10.827  -5.887
  164    HB2  LEU  20           HB2      LEU  20  29.138  10.318  -5.600
  165    HB3  LEU  20           HB1      LEU  20  28.670  11.470  -6.869
  166    HG   LEU  20           HG       LEU  20  29.653  10.083  -8.599
  167   HD11  LEU  20          HD11      LEU  20  30.807   8.532  -6.248
  168   HD12  LEU  20          HD12      LEU  20  31.669   9.256  -7.628
  169   HD13  LEU  20          HD13      LEU  20  30.667   7.808  -7.869
  170   HD21  LEU  20          HD21      LEU  20  28.292   8.063  -8.384
  171   HD22  LEU  20          HD22      LEU  20  27.398   9.441  -7.700
  172   HD23  LEU  20          HD23      LEU  20  28.198   8.275  -6.619
  Start of MODEL   11
    1    H1   TRP   1           HT1      TRP   1  44.642   9.981 -14.301
    2    H2   TRP   1           HT2      TRP   1  44.868  11.576 -13.761
    3    H3   TRP   1           HT3      TRP   1  43.443  10.736 -13.370
    4    HA   TRP   1           HA       TRP   1  45.041  10.915 -11.535
    5    HB2  TRP   1           HB2      TRP   1  44.854   8.520 -10.913
    6    HB3  TRP   1           HB1      TRP   1  43.329   9.155 -11.576
    7    HD1  TRP   1           HD1      TRP   1  42.797   8.541 -14.176
    8    HE1  TRP   1           HE1      TRP   1  43.409   6.445 -15.588
    9    HE3  TRP   1           HE3      TRP   1  46.592   6.695 -11.275
   10    HZ2  TRP   1           HZ2      TRP   1  45.301   4.277 -15.448
   11    HZ3  TRP   1           HZ3      TRP   1  47.787   4.612 -11.936
   12    HH2  TRP   1           HH2      TRP   1  47.145   3.402 -14.016
   13    H    LEU   2           HN       LEU   2  47.136  11.215 -11.207
   14    HA   LEU   2           HA       LEU   2  49.120  10.222 -13.086
   15    HB2  LEU   2           HB2      LEU   2  49.249  11.655 -10.412
   16    HB3  LEU   2           HB1      LEU   2  50.722  11.104 -11.244
   17    HG   LEU   2           HG       LEU   2  50.167  12.442 -13.215
   18   HD11  LEU   2          HD11      LEU   2  48.150  14.067 -12.956
   19   HD12  LEU   2          HD12      LEU   2  47.585  12.954 -11.687
   20   HD13  LEU   2          HD13      LEU   2  47.795  12.372 -13.358
   21   HD21  LEU   2          HD21      LEU   2  51.375  13.541 -11.347
   22   HD22  LEU   2          HD22      LEU   2  49.822  14.030 -10.628
   23   HD23  LEU   2          HD23      LEU   2  50.327  14.700 -12.199
   24    H    ARG   3           HN       ARG   3  49.203   9.813  -9.550
   25    HA   ARG   3           HA       ARG   3  49.428   6.855  -9.852
   26    HB2  ARG   3           HB2      ARG   3  51.760   7.749 -10.041
   27    HB3  ARG   3           HB1      ARG   3  51.555   8.539  -8.460
   28    HG2  ARG   3           HG2      ARG   3  51.307   6.429  -7.332
   29    HG3  ARG   3           HG1      ARG   3  51.147   5.550  -8.871
   30    HD2  ARG   3           HD2      ARG   3  53.484   6.214  -9.458
   31    HD3  ARG   3           HD1      ARG   3  53.634   7.006  -7.872
   32    HE   ARG   3           HE       ARG   3  54.021   4.232  -8.313
   33   HH11  ARG   3          HH11      ARG   3  52.208   2.921  -7.069
   34   HH12  ARG   3          HH12      ARG   3  52.165   3.342  -5.390
   35   HH21  ARG   3          HH21      ARG   3  53.975   6.269  -5.803
   36   HH22  ARG   3          HH22      ARG   3  53.164   5.237  -4.672
   37    H    ARG   4           HN       ARG   4  48.554   9.718  -8.257
   38    HA   ARG   4           HA       ARG   4  47.157   8.201  -6.164
   39    HB2  ARG   4           HB2      ARG   4  48.180   9.625  -4.323
   40    HB3  ARG   4           HB1      ARG   4  49.264   8.393  -5.014
   41    HG2  ARG   4           HG2      ARG   4  50.374  10.046  -6.400
   42    HG3  ARG   4           HG1      ARG   4  49.189  11.295  -5.945
   43    HD2  ARG   4           HD2      ARG   4  51.406  11.413  -4.696
   44    HD3  ARG   4           HD1      ARG   4  49.962  11.314  -3.660
   45    HE   ARG   4           HE       ARG   4  51.107   8.693  -4.264
   46   HH11  ARG   4          HH11      ARG   4  53.176  10.680  -3.026
   47   HH12  ARG   4          HH12      ARG   4  53.055  10.229  -1.358
   48   HH21  ARG   4          HH21      ARG   4  50.108   8.451  -1.778
   49   HH22  ARG   4          HH22      ARG   4  51.318   8.967  -0.652
   50    H    ILE   5           HN       ILE   5  47.226  10.462  -8.463
   51    HA   ILE   5           HA       ILE   5  45.934  12.326  -8.936
   52    HB   ILE   5           HB       ILE   5  44.141  11.555  -6.596
   53   HG12  ILE   5          HG12      ILE   5  44.308  10.282  -9.366
   54   HG13  ILE   5          HG11      ILE   5  44.668   9.485  -7.818
   55   HG21  ILE   5          HG21      ILE   5  43.786  13.665  -8.054
   56   HG22  ILE   5          HG22      ILE   5  42.406  12.555  -7.896
   57   HG23  ILE   5          HG23      ILE   5  43.394  12.544  -9.378
   58   HD11  ILE   5           HD1      ILE   5  42.444   8.813  -8.324
   59   HD12  ILE   5           HD2      ILE   5  41.985  10.442  -8.872
   60   HD13  ILE   5           HD3      ILE   5  42.243  10.124  -7.138
   61    H    GLY   6           HN       GLY   6  48.134  13.002  -7.565
   62    HA2  GLY   6           HA1      GLY   6  49.043  14.530  -6.068
   63    HA3  GLY   6           HA2      GLY   6  47.651  15.523  -6.540
   64    H    LYS   7           HN       LYS   7  47.835  12.482  -4.657
   65    HA   LYS   7           HA       LYS   7  46.968  11.984  -2.563
   66    HB2  LYS   7           HB2      LYS   7  48.854  13.410  -1.851
   67    HB3  LYS   7           HB1      LYS   7  47.817  14.850  -1.986
   68    HG2  LYS   7           HG2      LYS   7  46.390  14.117  -0.205
   69    HG3  LYS   7           HG1      LYS   7  47.089  12.481  -0.219
   70    HD2  LYS   7           HD2      LYS   7  47.933  13.894   1.679
   71    HD3  LYS   7           HD1      LYS   7  49.228  13.331   0.597
   72    HE2  LYS   7           HE2      LYS   7  49.477  15.467  -0.410
   73    HE3  LYS   7           HE1      LYS   7  47.896  16.031   0.181
   74    HZ1  LYS   7           HZ1      LYS   7  49.743  15.196   2.250
   75    HZ2  LYS   7           HZ2      LYS   7  48.746  16.568   2.167
   76    HZ3  LYS   7           HZ3      LYS   7  50.248  16.555   1.371
   77    H    GLY   8           HN       GLY   8  44.820  11.703  -3.166
   78    HA2  GLY   8           HA1      GLY   8  42.951  13.809  -3.553
   79    HA3  GLY   8           HA2      GLY   8  42.557  12.139  -3.107
   80    H    VAL   9           HN       VAL   9  40.956  12.536  -1.663
   81    HA   VAL   9           HA       VAL   9  40.010  13.106   0.368
   82    HB   VAL   9           HB       VAL   9  42.883  13.314   1.363
   83   HG11  VAL   9          HG11      VAL   9  40.202  12.837   2.734
   84   HG12  VAL   9          HG12      VAL   9  41.271  14.245   2.940
   85   HG13  VAL   9          HG13      VAL   9  41.781  12.646   3.531
   86   HG21  VAL   9          HG21      VAL   9  40.985  10.944   1.085
   87   HG22  VAL   9          HG22      VAL   9  42.473  10.914   2.062
   88   HG23  VAL   9          HG23      VAL   9  42.568  11.149   0.300
   89    H    LYS  10           HN       LYS  10  43.000  15.016   0.799
   90    HA   LYS  10           HA       LYS  10  41.846  17.315   1.833
   91    HB2  LYS  10           HB2      LYS  10  44.329  16.753   1.437
   92    HB3  LYS  10           HB1      LYS  10  44.108  17.431  -0.193
   93    HG2  LYS  10           HG2      LYS  10  43.116  19.516   1.047
   94    HG3  LYS  10           HG1      LYS  10  43.874  18.830   2.500
   95    HD2  LYS  10           HD2      LYS  10  45.346  19.427  -0.106
   96    HD3  LYS  10           HD1      LYS  10  45.331  20.497   1.316
   97    HE2  LYS  10           HE2      LYS  10  46.214  18.509   2.667
   98    HE3  LYS  10           HE1      LYS  10  46.478  17.686   1.112
   99    HZ1  LYS  10           HZ1      LYS  10  48.141  19.101   0.542
  100    HZ2  LYS  10           HZ2      LYS  10  48.322  19.183   2.229
  101    HZ3  LYS  10           HZ3      LYS  10  47.500  20.415   1.399
  102    H    ILE  11           HN       ILE  11  41.544  16.077  -1.358
  103    HA   ILE  11           HA       ILE  11  40.370  18.674  -2.352
  104    HB   ILE  11           HB       ILE  11  41.197  16.266  -4.004
  105   HG12  ILE  11          HG12      ILE  11  42.839  18.712  -3.199
  106   HG13  ILE  11          HG11      ILE  11  43.183  17.016  -2.786
  107   HG21  ILE  11          HG21      ILE  11  39.623  18.100  -4.909
  108   HG22  ILE  11          HG22      ILE  11  41.092  17.789  -5.860
  109   HG23  ILE  11          HG23      ILE  11  41.011  19.208  -4.787
  110   HD11  ILE  11           HD1      ILE  11  43.234  16.604  -5.357
  111   HD12  ILE  11           HD2      ILE  11  44.612  17.463  -4.629
  112   HD13  ILE  11           HD3      ILE  11  43.354  18.375  -5.496
  113    H    ILE  12           HN       ILE  12  39.999  15.125  -2.299
  114    HA   ILE  12           HA       ILE  12  37.348  15.162  -3.490
  115    HB   ILE  12           HB       ILE  12  38.792  13.085  -1.828
  116   HG12  ILE  12          HG12      ILE  12  38.555  13.317  -4.872
  117   HG13  ILE  12          HG11      ILE  12  39.962  13.873  -3.941
  118   HG21  ILE  12          HG21      ILE  12  36.273  12.990  -3.547
  119   HG22  ILE  12          HG22      ILE  12  36.497  12.409  -1.882
  120   HG23  ILE  12          HG23      ILE  12  37.214  11.518  -3.233
  121   HD11  ILE  12           HD1      ILE  12  40.699  11.735  -4.514
  122   HD12  ILE  12           HD2      ILE  12  39.062  11.053  -4.541
  123   HD13  ILE  12           HD3      ILE  12  39.876  11.348  -2.986
  124    H    GLY  13           HN       GLY  13  37.858  13.392  -0.474
  125    HA2  GLY  13           HA1      GLY  13  35.380  14.173   0.675
  126    HA3  GLY  13           HA2      GLY  13  36.778  13.528   1.566
  127    H    GLY  14           HN       GLY  14  38.139  15.811  -0.068
  128    HA2  GLY  14           HA1      GLY  14  38.107  17.753   2.172
  129    HA3  GLY  14           HA2      GLY  14  39.099  17.821   0.704
  130    H    ALA  15           HN       ALA  15  37.212  17.647  -1.316
  131    HA   ALA  15           HA       ALA  15  35.959  20.347  -1.062
  132    HB1  ALA  15           HB1      ALA  15  35.396  20.054  -3.429
  133    HB2  ALA  15           HB2      ALA  15  35.961  18.368  -3.378
  134    HB3  ALA  15           HB3      ALA  15  37.120  19.705  -3.165
  135    H    ALA  16           HN       ALA  16  35.158  18.123   0.616
  136    HA   ALA  16           HA       ALA  16  33.175  17.357   1.498
  137    HB1  ALA  16           HB1      ALA  16  32.296  19.607   0.483
  138    HB2  ALA  16           HB2      ALA  16  31.125  18.344   0.934
  139    HB3  ALA  16           HB3      ALA  16  31.580  18.570  -0.772
  140    H    LEU  17           HN       LEU  17  34.840  15.837  -0.302
  141    HA   LEU  17           HA       LEU  17  34.684  13.877  -1.554
  142    HB2  LEU  17           HB2      LEU  17  32.991  13.554   0.520
  143    HB3  LEU  17           HB1      LEU  17  31.789  13.475  -0.782
  144    HG   LEU  17           HG       LEU  17  34.314  11.752  -0.653
  145   HD11  LEU  17          HD11      LEU  17  32.763   9.927  -0.024
  146   HD12  LEU  17          HD12      LEU  17  31.413  11.086   0.016
  147   HD13  LEU  17          HD13      LEU  17  32.745  11.230   1.187
  148   HD21  LEU  17          HD21      LEU  17  33.510  12.043  -2.940
  149   HD22  LEU  17          HD22      LEU  17  31.832  11.730  -2.430
  150   HD23  LEU  17          HD23      LEU  17  33.036  10.422  -2.381
  151    H    ASP  18           HN       ASP  18  34.427  16.078  -3.064
  152    HA   ASP  18           HA       ASP  18  33.624  16.857  -5.091
  153    HB2  ASP  18           HB2      ASP  18  32.754  13.951  -5.363
  154    HB3  ASP  18           HB1      ASP  18  32.800  15.135  -6.691
  155    H    HIS  19           HN       HIS  19  31.084  14.389  -4.732
  156    HA   HIS  19           HA       HIS  19  29.109  16.304  -3.750
  157    HB2  HIS  19           HB2      HIS  19  27.676  16.252  -5.780
  158    HB3  HIS  19           HB1      HIS  19  29.225  17.078  -6.073
  159    HD1  HIS  19           HD1      HIS  19  30.519  13.913  -5.976
  160    HD2  HIS  19           HD2      HIS  19  27.866  15.708  -8.703
  161    HE1  HIS  19           HE1      HIS  19  30.648  12.582  -8.153
  162    H    LEU  20           HN       LEU  20  29.852  13.972  -2.630
  163    HA   LEU  20           HA       LEU  20  29.077  11.891  -1.953
  164    HB2  LEU  20           HB2      LEU  20  26.322  12.774  -2.871
  165    HB3  LEU  20           HB1      LEU  20  26.766  11.782  -1.461
  166    HG   LEU  20           HG       LEU  20  27.331  14.756  -1.846
  167   HD11  LEU  20          HD11      LEU  20  24.993  14.198  -1.253
  168   HD12  LEU  20          HD12      LEU  20  25.824  14.986   0.111
  169   HD13  LEU  20          HD13      LEU  20  25.570  13.223   0.119
  170   HD21  LEU  20          HD21      LEU  20  28.126  14.525   0.594
  171   HD22  LEU  20          HD22      LEU  20  29.209  13.854  -0.648
  172   HD23  LEU  20          HD23      LEU  20  28.171  12.768   0.307
  Start of MODEL   12
    1    H1   TRP   1           HT1      TRP   1  51.090   3.445   4.185
    2    H2   TRP   1           HT2      TRP   1  50.811   5.055   4.653
    3    H3   TRP   1           HT3      TRP   1  50.506   4.565   3.054
    4    HA   TRP   1           HA       TRP   1  49.107   2.965   4.922
    5    HB2  TRP   1           HB2      TRP   1  48.392   5.918   4.836
    6    HB3  TRP   1           HB1      TRP   1  47.591   4.637   5.776
    7    HD1  TRP   1           HD1      TRP   1  49.523   3.249   7.428
    8    HE1  TRP   1           HE1      TRP   1  51.213   4.344   9.073
    9    HE3  TRP   1           HE3      TRP   1  49.664   7.957   5.422
   10    HZ2  TRP   1           HZ2      TRP   1  52.442   6.923   9.439
   11    HZ3  TRP   1           HZ3      TRP   1  51.102   9.719   6.435
   12    HH2  TRP   1           HH2      TRP   1  52.490   9.207   8.440
   13    H    LEU   2           HN       LEU   2  46.761   2.951   4.271
   14    HA   LEU   2           HA       LEU   2  46.629   2.758   1.372
   15    HB2  LEU   2           HB2      LEU   2  44.238   2.717   3.243
   16    HB3  LEU   2           HB1      LEU   2  44.464   1.853   1.703
   17    HG   LEU   2           HG       LEU   2  45.934   1.325   4.324
   18   HD11  LEU   2          HD11      LEU   2  44.775  -0.841   4.224
   19   HD12  LEU   2          HD12      LEU   2  44.015  -0.385   2.680
   20   HD13  LEU   2          HD13      LEU   2  43.588   0.483   4.174
   21   HD21  LEU   2          HD21      LEU   2  46.847  -0.664   2.959
   22   HD22  LEU   2          HD22      LEU   2  47.526   0.933   2.570
   23   HD23  LEU   2          HD23      LEU   2  46.292   0.208   1.511
   24    H    ARG   3           HN       ARG   3  46.396   5.326   3.520
   25    HA   ARG   3           HA       ARG   3  45.878   7.547   3.164
   26    HB2  ARG   3           HB2      ARG   3  46.572   6.919   0.705
   27    HB3  ARG   3           HB1      ARG   3  44.828   6.958   0.379
   28    HG2  ARG   3           HG2      ARG   3  45.399   9.182  -0.083
   29    HG3  ARG   3           HG1      ARG   3  44.936   9.311   1.628
   30    HD2  ARG   3           HD2      ARG   3  47.303   9.188   2.305
   31    HD3  ARG   3           HD1      ARG   3  47.795   8.935   0.615
   32    HE   ARG   3           HE       ARG   3  47.107  11.488   1.828
   33   HH11  ARG   3          HH11      ARG   3  49.102  11.438  -0.272
   34   HH12  ARG   3          HH12      ARG   3  48.249  11.993  -1.674
   35   HH21  ARG   3          HH21      ARG   3  45.110  11.417  -0.318
   36   HH22  ARG   3          HH22      ARG   3  45.989  11.981  -1.700
   37    H    ARG   4           HN       ARG   4  43.421   5.705   1.278
   38    HA   ARG   4           HA       ARG   4  41.219   7.304   2.038
   39    HB2  ARG   4           HB2      ARG   4  41.487   4.392   1.223
   40    HB3  ARG   4           HB1      ARG   4  39.900   5.079   1.640
   41    HG2  ARG   4           HG2      ARG   4  40.339   5.199  -0.806
   42    HG3  ARG   4           HG1      ARG   4  40.174   6.817  -0.088
   43    HD2  ARG   4           HD2      ARG   4  42.526   7.207  -0.156
   44    HD3  ARG   4           HD1      ARG   4  42.885   5.486  -0.445
   45    HE   ARG   4           HE       ARG   4  41.304   6.308  -2.615
   46   HH11  ARG   4          HH11      ARG   4  43.710   8.192  -1.215
   47   HH12  ARG   4          HH12      ARG   4  44.699   8.293  -2.633
   48   HH21  ARG   4          HH21      ARG   4  42.826   5.991  -4.426
   49   HH22  ARG   4          HH22      ARG   4  44.199   7.047  -4.451
   50    H    ILE   5           HN       ILE   5  42.997   4.864   3.816
   51    HA   ILE   5           HA       ILE   5  41.080   4.113   5.748
   52    HB   ILE   5           HB       ILE   5  43.391   3.154   5.574
   53   HG12  ILE   5          HG12      ILE   5  42.743   4.316   8.326
   54   HG13  ILE   5          HG11      ILE   5  41.952   2.887   7.623
   55   HG21  ILE   5          HG21      ILE   5  44.294   5.628   7.103
   56   HG22  ILE   5          HG22      ILE   5  44.465   5.477   5.338
   57   HG23  ILE   5          HG23      ILE   5  45.301   4.333   6.413
   58   HD11  ILE   5           HD1      ILE   5  43.682   2.003   8.998
   59   HD12  ILE   5           HD2      ILE   5  44.857   3.219   8.449
   60   HD13  ILE   5           HD3      ILE   5  44.342   1.917   7.348
   61    H    GLY   6           HN       GLY   6  43.052   7.050   5.468
   62    HA2  GLY   6           HA1      GLY   6  42.269   8.078   8.077
   63    HA3  GLY   6           HA2      GLY   6  43.093   8.969   6.782
   64    H    LYS   7           HN       LYS   7  40.879   8.026   4.901
   65    HA   LYS   7           HA       LYS   7  38.909   8.913   4.078
   66    HB2  LYS   7           HB2      LYS   7  38.092   7.927   6.305
   67    HB3  LYS   7           HB1      LYS   7  38.154   9.585   6.946
   68    HG2  LYS   7           HG2      LYS   7  36.616  10.346   5.171
   69    HG3  LYS   7           HG1      LYS   7  36.571   8.700   4.491
   70    HD2  LYS   7           HD2      LYS   7  35.702   7.874   6.707
   71    HD3  LYS   7           HD1      LYS   7  35.603   9.567   7.250
   72    HE2  LYS   7           HE2      LYS   7  34.126   8.312   4.895
   73    HE3  LYS   7           HE1      LYS   7  33.413   8.891   6.420
   74    HZ1  LYS   7           HZ1      LYS   7  34.656  11.085   5.678
   75    HZ2  LYS   7           HZ2      LYS   7  33.090  10.714   5.132
   76    HZ3  LYS   7           HZ3      LYS   7  34.432  10.415   4.136
   77    H    GLY   8           HN       GLY   8  38.367  10.796   3.141
   78    HA2  GLY   8           HA1      GLY   8  38.171  13.099   2.852
   79    HA3  GLY   8           HA2      GLY   8  38.671  13.346   4.535
   80    H    VAL   9           HN       VAL   9  39.684  13.064   1.197
   81    HA   VAL   9           HA       VAL   9  42.534  13.145   1.763
   82    HB   VAL   9           HB       VAL   9  41.024  13.882  -0.788
   83   HG11  VAL   9          HG11      VAL   9  43.961  13.363  -0.161
   84   HG12  VAL   9          HG12      VAL   9  43.247  14.825  -0.881
   85   HG13  VAL   9          HG13      VAL   9  43.299  13.311  -1.813
   86   HG21  VAL   9          HG21      VAL   9  42.377  11.300   0.112
   87   HG22  VAL   9          HG22      VAL   9  41.660  11.587  -1.491
   88   HG23  VAL   9          HG23      VAL   9  40.622  11.557  -0.045
   89    H    LYS  10           HN       LYS  10  41.164  15.592  -0.383
   90    HA   LYS  10           HA       LYS  10  41.329  17.797   1.464
   91    HB2  LYS  10           HB2      LYS  10  43.788  17.152   1.236
   92    HB3  LYS  10           HB1      LYS  10  43.666  17.622  -0.475
   93    HG2  LYS  10           HG2      LYS  10  42.914  19.890   0.210
   94    HG3  LYS  10           HG1      LYS  10  43.074  19.418   1.920
   95    HD2  LYS  10           HD2      LYS  10  45.498  18.891   1.486
   96    HD3  LYS  10           HD1      LYS  10  45.299  19.544  -0.159
   97    HE2  LYS  10           HE2      LYS  10  44.610  21.727   0.779
   98    HE3  LYS  10           HE1      LYS  10  44.783  21.079   2.428
   99    HZ1  LYS  10           HZ1      LYS  10  46.788  22.163   1.998
  100    HZ2  LYS  10           HZ2      LYS  10  46.893  21.580   0.407
  101    HZ3  LYS  10           HZ3      LYS  10  47.153  20.531   1.717
  102    H    ILE  11           HN       ILE  11  41.194  16.411  -1.721
  103    HA   ILE  11           HA       ILE  11  39.865  18.924  -2.750
  104    HB   ILE  11           HB       ILE  11  41.473  16.968  -4.435
  105   HG12  ILE  11          HG12      ILE  11  42.347  19.610  -3.172
  106   HG13  ILE  11          HG11      ILE  11  42.991  17.996  -2.792
  107   HG21  ILE  11          HG21      ILE  11  39.676  18.515  -5.451
  108   HG22  ILE  11          HG22      ILE  11  41.308  18.653  -6.140
  109   HG23  ILE  11          HG23      ILE  11  40.725  19.874  -4.983
  110   HD11  ILE  11           HD1      ILE  11  43.569  17.847  -5.329
  111   HD12  ILE  11           HD2      ILE  11  44.575  18.902  -4.309
  112   HD13  ILE  11           HD3      ILE  11  43.313  19.609  -5.343
  113    H    ILE  12           HN       ILE  12  40.230  15.374  -3.065
  114    HA   ILE  12           HA       ILE  12  37.641  15.213  -4.510
  115    HB   ILE  12           HB       ILE  12  39.559  13.036  -3.590
  116   HG12  ILE  12          HG12      ILE  12  39.263  14.337  -6.340
  117   HG13  ILE  12          HG11      ILE  12  40.562  14.702  -5.184
  118   HG21  ILE  12          HG21      ILE  12  38.380  11.662  -5.329
  119   HG22  ILE  12          HG22      ILE  12  37.269  13.019  -5.618
  120   HG23  ILE  12          HG23      ILE  12  37.277  12.192  -4.045
  121   HD11  ILE  12           HD1      ILE  12  41.612  13.087  -6.515
  122   HD12  ILE  12           HD2      ILE  12  40.106  12.193  -6.812
  123   HD13  ILE  12           HD3      ILE  12  40.930  12.051  -5.240
  124    H    GLY  13           HN       GLY  13  38.599  12.686  -2.249
  125    HA2  GLY  13           HA1      GLY  13  36.061  12.645  -0.942
  126    HA3  GLY  13           HA2      GLY  13  37.568  11.940  -0.308
  127    H    GLY  14           HN       GLY  14  38.490  14.839  -1.034
  128    HA2  GLY  14           HA1      GLY  14  38.288  15.884   1.715
  129    HA3  GLY  14           HA2      GLY  14  39.224  16.567   0.368
  130    H    ALA  15           HN       ALA  15  37.322  16.840  -1.650
  131    HA   ALA  15           HA       ALA  15  35.725  19.091  -0.491
  132    HB1  ALA  15           HB1      ALA  15  35.780  18.052  -3.348
  133    HB2  ALA  15           HB2      ALA  15  36.897  19.286  -2.710
  134    HB3  ALA  15           HB3      ALA  15  35.152  19.613  -2.775
  135    H    ALA  16           HN       ALA  16  35.282  16.329   0.314
  136    HA   ALA  16           HA       ALA  16  33.432  15.084   0.898
  137    HB1  ALA  16           HB1      ALA  16  31.262  15.931   0.677
  138    HB2  ALA  16           HB2      ALA  16  31.609  16.720  -0.880
  139    HB3  ALA  16           HB3      ALA  16  32.242  17.414   0.631
  140    H    LEU  17           HN       LEU  17  35.214  14.446  -1.271
  141    HA   LEU  17           HA       LEU  17  35.279  13.043  -3.133
  142    HB2  LEU  17           HB2      LEU  17  33.847  11.777  -1.217
  143    HB3  LEU  17           HB1      LEU  17  32.585  11.858  -2.462
  144    HG   LEU  17           HG       LEU  17  35.390  10.715  -2.897
  145   HD11  LEU  17          HD11      LEU  17  33.946   9.403  -1.300
  146   HD12  LEU  17          HD12      LEU  17  34.338   8.525  -2.799
  147   HD13  LEU  17          HD13      LEU  17  32.729   9.260  -2.593
  148   HD21  LEU  17          HD21      LEU  17  34.302   9.780  -4.967
  149   HD22  LEU  17          HD22      LEU  17  34.394  11.556  -4.968
  150   HD23  LEU  17          HD23      LEU  17  32.853  10.744  -4.596
  151    H    ASP  18           HN       ASP  18  34.421  15.556  -3.768
  152    HA   ASP  18           HA       ASP  18  33.216  16.764  -5.346
  153    HB2  ASP  18           HB2      ASP  18  33.329  14.033  -6.681
  154    HB3  ASP  18           HB1      ASP  18  32.790  15.519  -7.499
  155    H    HIS  19           HN       HIS  19  31.613  16.063  -3.238
  156    HA   HIS  19           HA       HIS  19  29.397  15.712  -2.634
  157    HB2  HIS  19           HB2      HIS  19  28.923  16.682  -5.481
  158    HB3  HIS  19           HB1      HIS  19  27.720  16.662  -4.169
  159    HD1  HIS  19           HD1      HIS  19  27.721  18.581  -2.521
  160    HD2  HIS  19           HD2      HIS  19  31.104  18.565  -5.019
  161    HE1  HIS  19           HE1      HIS  19  29.010  20.742  -2.073
  162    H    LEU  20           HN       LEU  20  30.673  13.367  -3.390
  163    HA   LEU  20           HA       LEU  20  30.231  11.198  -4.097
  164    HB2  LEU  20           HB2      LEU  20  27.452  12.269  -3.500
  165    HB3  LEU  20           HB1      LEU  20  27.697  10.594  -4.050
  166    HG   LEU  20           HG       LEU  20  29.192  10.152  -2.154
  167   HD11  LEU  20          HD11      LEU  20  29.276  11.995  -0.327
  168   HD12  LEU  20          HD12      LEU  20  28.766  13.116  -1.614
  169   HD13  LEU  20          HD13      LEU  20  30.300  12.223  -1.763
  170   HD21  LEU  20          HD21      LEU  20  27.532  10.243  -0.375
  171   HD22  LEU  20          HD22      LEU  20  26.684   9.944  -1.912
  172   HD23  LEU  20          HD23      LEU  20  26.670  11.570  -1.188
  Start of MODEL   13
    1    H1   TRP   1           HT1      TRP   1  37.017   4.832  11.206
    2    H2   TRP   1           HT2      TRP   1  38.155   4.598   9.966
    3    H3   TRP   1           HT3      TRP   1  36.891   3.484  10.187
    4    HA   TRP   1           HA       TRP   1  36.457   4.877   8.310
    5    HB2  TRP   1           HB2      TRP   1  34.659   5.640  10.639
    6    HB3  TRP   1           HB1      TRP   1  34.220   5.523   8.918
    7    HD1  TRP   1           HD1      TRP   1  33.901   3.115   7.886
    8    HE1  TRP   1           HE1      TRP   1  33.556   0.756   8.924
    9    HE3  TRP   1           HE3      TRP   1  35.327   4.134  12.696
   10    HZ2  TRP   1           HZ2      TRP   1  33.868  -0.488  11.502
   11    HZ3  TRP   1           HZ3      TRP   1  35.295   2.345  14.429
   12    HH2  TRP   1           HH2      TRP   1  34.567   0.037  13.836
   13    H    LEU   2           HN       LEU   2  38.536   6.274   8.587
   14    HA   LEU   2           HA       LEU   2  39.427   8.407   8.449
   15    HB2  LEU   2           HB2      LEU   2  36.607   9.502   8.599
   16    HB3  LEU   2           HB1      LEU   2  38.028  10.223   7.817
   17    HG   LEU   2           HG       LEU   2  36.503   7.733   6.938
   18   HD11  LEU   2          HD11      LEU   2  37.048  10.427   5.617
   19   HD12  LEU   2          HD12      LEU   2  35.498   9.900   6.313
   20   HD13  LEU   2          HD13      LEU   2  36.156   9.077   4.879
   21   HD21  LEU   2          HD21      LEU   2  38.801   7.204   6.523
   22   HD22  LEU   2          HD22      LEU   2  39.183   8.874   6.045
   23   HD23  LEU   2          HD23      LEU   2  38.195   7.845   4.979
   24    H    ARG   3           HN       ARG   3  37.617   7.337  11.048
   25    HA   ARG   3           HA       ARG   3  37.988   7.758  13.309
   26    HB2  ARG   3           HB2      ARG   3  40.167   9.000  12.471
   27    HB3  ARG   3           HB1      ARG   3  39.225  10.478  12.776
   28    HG2  ARG   3           HG2      ARG   3  38.735   9.536  15.106
   29    HG3  ARG   3           HG1      ARG   3  39.964   8.296  14.767
   30    HD2  ARG   3           HD2      ARG   3  40.385  11.317  14.768
   31    HD3  ARG   3           HD1      ARG   3  41.008  10.160  15.967
   32    HE   ARG   3           HE       ARG   3  42.137  10.664  13.319
   33   HH11  ARG   3          HH11      ARG   3  43.065   9.571  16.211
   34   HH12  ARG   3          HH12      ARG   3  43.861   8.129  15.679
   35   HH21  ARG   3          HH21      ARG   3  42.573   8.286  12.463
   36   HH22  ARG   3          HH22      ARG   3  43.584   7.401  13.557
   37    H    ARG   4           HN       ARG   4  37.624  11.075  11.970
   38    HA   ARG   4           HA       ARG   4  35.242  11.450  13.711
   39    HB2  ARG   4           HB2      ARG   4  36.768  13.344  11.879
   40    HB3  ARG   4           HB1      ARG   4  35.396  13.808  12.916
   41    HG2  ARG   4           HG2      ARG   4  36.690  12.913  14.898
   42    HG3  ARG   4           HG1      ARG   4  38.086  12.693  13.815
   43    HD2  ARG   4           HD2      ARG   4  38.242  14.854  15.002
   44    HD3  ARG   4           HD1      ARG   4  38.026  15.112  13.255
   45    HE   ARG   4           HE       ARG   4  35.438  15.136  14.299
   46   HH11  ARG   4          HH11      ARG   4  37.766  16.352  16.266
   47   HH12  ARG   4          HH12      ARG   4  37.294  18.015  16.152
   48   HH21  ARG   4          HH21      ARG   4  35.087  17.482  13.532
   49   HH22  ARG   4          HH22      ARG   4  35.777  18.655  14.602
   50    H    ILE   5           HN       ILE   5  35.656   9.974  10.854
   51    HA   ILE   5           HA       ILE   5  34.285   9.589   9.022
   52    HB   ILE   5           HB       ILE   5  32.029  10.807  10.667
   53   HG12  ILE   5          HG12      ILE   5  33.250   8.012  10.817
   54   HG13  ILE   5          HG11      ILE   5  33.289   9.246  12.098
   55   HG21  ILE   5          HG21      ILE   5  31.723  10.094   8.208
   56   HG22  ILE   5          HG22      ILE   5  30.618   9.353   9.386
   57   HG23  ILE   5          HG23      ILE   5  32.006   8.428   8.764
   58   HD11  ILE   5           HD1      ILE   5  31.483   7.833  12.715
   59   HD12  ILE   5           HD2      ILE   5  30.905   7.690  11.039
   60   HD13  ILE   5           HD3      ILE   5  30.688   9.217  11.930
   61    H    GLY   6           HN       GLY   6  35.644  11.474   8.155
   62    HA2  GLY   6           HA1      GLY   6  34.120  13.048   6.446
   63    HA3  GLY   6           HA2      GLY   6  34.312  14.047   7.899
   64    H    LYS   7           HN       LYS   7  36.991  12.478   8.259
   65    HA   LYS   7           HA       LYS   7  38.602  14.533   6.931
   66    HB2  LYS   7           HB2      LYS   7  39.731  12.045   8.249
   67    HB3  LYS   7           HB1      LYS   7  40.412  13.685   8.187
   68    HG2  LYS   7           HG2      LYS   7  37.957  12.791   9.770
   69    HG3  LYS   7           HG1      LYS   7  39.546  13.214  10.438
   70    HD2  LYS   7           HD2      LYS   7  37.639  15.102   8.980
   71    HD3  LYS   7           HD1      LYS   7  38.001  15.096  10.715
   72    HE2  LYS   7           HE2      LYS   7  40.505  15.400   9.946
   73    HE3  LYS   7           HE1      LYS   7  39.776  15.947   8.415
   74    HZ1  LYS   7           HZ1      LYS   7  38.683  17.045  10.895
   75    HZ2  LYS   7           HZ2      LYS   7  38.900  17.781   9.380
   76    HZ3  LYS   7           HZ3      LYS   7  40.222  17.580  10.428
   77    H    GLY   8           HN       GLY   8  38.116  14.179   4.715
   78    HA2  GLY   8           HA1      GLY   8  38.802  11.601   3.492
   79    HA3  GLY   8           HA2      GLY   8  38.297  13.083   2.658
   80    H    VAL   9           HN       VAL   9  39.852  13.032   1.071
   81    HA   VAL   9           HA       VAL   9  42.668  12.682   1.716
   82    HB   VAL   9           HB       VAL   9  41.336  13.801  -0.793
   83   HG11  VAL   9          HG11      VAL   9  43.635  14.527  -0.760
   84   HG12  VAL   9          HG12      VAL   9  43.576  13.098  -1.817
   85   HG13  VAL   9          HG13      VAL   9  44.190  12.950  -0.152
   86   HG21  VAL   9          HG21      VAL   9  42.454  11.032  -0.165
   87   HG22  VAL   9          HG22      VAL   9  41.690  11.542  -1.690
   88   HG23  VAL   9          HG23      VAL   9  40.723  11.447  -0.198
   89    H    LYS  10           HN       LYS  10  41.510  15.469  -0.161
   90    HA   LYS  10           HA       LYS  10  42.041  17.431   1.874
   91    HB2  LYS  10           HB2      LYS  10  44.376  16.745   1.597
   92    HB3  LYS  10           HB1      LYS  10  44.252  16.942  -0.165
   93    HG2  LYS  10           HG2      LYS  10  45.388  18.872   0.938
   94    HG3  LYS  10           HG1      LYS  10  43.908  19.363   0.090
   95    HD2  LYS  10           HD2      LYS  10  42.697  19.667   2.105
   96    HD3  LYS  10           HD1      LYS  10  43.814  18.647   3.045
   97    HE2  LYS  10           HE2      LYS  10  44.099  21.085   3.530
   98    HE3  LYS  10           HE1      LYS  10  45.574  20.351   2.856
   99    HZ1  LYS  10           HZ1      LYS  10  43.670  21.463   0.945
  100    HZ2  LYS  10           HZ2      LYS  10  45.368  21.492   0.935
  101    HZ3  LYS  10           HZ3      LYS  10  44.503  22.582   1.908
  102    H    ILE  11           HN       ILE  11  41.523  16.415  -1.410
  103    HA   ILE  11           HA       ILE  11  40.295  19.099  -2.011
  104    HB   ILE  11           HB       ILE  11  41.813  17.456  -4.083
  105   HG12  ILE  11          HG12      ILE  11  42.768  19.816  -2.396
  106   HG13  ILE  11          HG11      ILE  11  43.424  18.163  -2.372
  107   HG21  ILE  11          HG21      ILE  11  41.074  20.412  -4.077
  108   HG22  ILE  11          HG22      ILE  11  39.986  19.159  -4.722
  109   HG23  ILE  11          HG23      ILE  11  41.587  19.408  -5.454
  110   HD11  ILE  11           HD1      ILE  11  43.862  18.512  -4.918
  111   HD12  ILE  11           HD2      ILE  11  44.928  19.355  -3.768
  112   HD13  ILE  11           HD3      ILE  11  43.614  20.242  -4.577
  113    H    ILE  12           HN       ILE  12  40.652  15.699  -3.123
  114    HA   ILE  12           HA       ILE  12  38.046  15.762  -4.451
  115    HB   ILE  12           HB       ILE  12  39.824  13.426  -3.671
  116   HG12  ILE  12          HG12      ILE  12  39.627  14.889  -6.349
  117   HG13  ILE  12          HG11      ILE  12  40.899  15.190  -5.146
  118   HG21  ILE  12          HG21      ILE  12  38.592  12.335  -5.654
  119   HG22  ILE  12          HG22      ILE  12  37.466  13.709  -5.587
  120   HG23  ILE  12          HG23      ILE  12  37.611  12.607  -4.201
  121   HD11  ILE  12           HD1      ILE  12  41.992  13.616  -6.479
  122   HD12  ILE  12           HD2      ILE  12  40.487  12.788  -6.930
  123   HD13  ILE  12           HD3      ILE  12  41.207  12.513  -5.326
  124    H    GLY  13           HN       GLY  13  38.833  13.014  -2.376
  125    HA2  GLY  13           HA1      GLY  13  36.254  12.932  -1.164
  126    HA3  GLY  13           HA2      GLY  13  37.722  12.154  -0.529
  127    H    GLY  14           HN       GLY  14  38.739  15.047  -1.000
  128    HA2  GLY  14           HA1      GLY  14  38.499  15.910   1.799
  129    HA3  GLY  14           HA2      GLY  14  39.444  16.689   0.509
  130    H    ALA  15           HN       ALA  15  37.554  17.132  -1.482
  131    HA   ALA  15           HA       ALA  15  35.940  19.278  -0.152
  132    HB1  ALA  15           HB1      ALA  15  37.146  19.726  -2.300
  133    HB2  ALA  15           HB2      ALA  15  35.391  19.986  -2.411
  134    HB3  ALA  15           HB3      ALA  15  36.113  18.512  -3.093
  135    H    ALA  16           HN       ALA  16  35.492  16.455   0.374
  136    HA   ALA  16           HA       ALA  16  33.640  15.141   0.777
  137    HB1  ALA  16           HB1      ALA  16  31.469  16.001   0.601
  138    HB2  ALA  16           HB2      ALA  16  31.847  16.959  -0.849
  139    HB3  ALA  16           HB3      ALA  16  32.443  17.481   0.744
  140    H    LEU  17           HN       LEU  17  35.470  14.752  -1.403
  141    HA   LEU  17           HA       LEU  17  35.595  13.500  -3.359
  142    HB2  LEU  17           HB2      LEU  17  33.921  12.141  -1.695
  143    HB3  LEU  17           HB1      LEU  17  32.809  12.396  -3.055
  144    HG   LEU  17           HG       LEU  17  35.590  11.141  -3.260
  145   HD11  LEU  17          HD11      LEU  17  34.105   9.626  -2.095
  146   HD12  LEU  17          HD12      LEU  17  34.225   9.066  -3.780
  147   HD13  LEU  17          HD13      LEU  17  32.783   9.959  -3.239
  148   HD21  LEU  17          HD21      LEU  17  33.331  11.490  -5.286
  149   HD22  LEU  17          HD22      LEU  17  34.809  10.538  -5.559
  150   HD23  LEU  17          HD23      LEU  17  34.917  12.298  -5.327
  151    H    ASP  18           HN       ASP  18  34.703  16.177  -3.576
  152    HA   ASP  18           HA       ASP  18  33.802  17.606  -5.154
  153    HB2  ASP  18           HB2      ASP  18  35.005  15.965  -6.688
  154    HB3  ASP  18           HB1      ASP  18  33.434  15.166  -6.928
  155    H    HIS  19           HN       HIS  19  32.063  15.277  -3.605
  156    HA   HIS  19           HA       HIS  19  29.563  16.654  -3.968
  157    HB2  HIS  19           HB2      HIS  19  29.547  15.529  -6.159
  158    HB3  HIS  19           HB1      HIS  19  29.814  13.958  -5.367
  159    HD1  HIS  19           HD1      HIS  19  27.396  13.538  -6.717
  160    HD2  HIS  19           HD2      HIS  19  27.331  15.988  -3.299
  161    HE1  HIS  19           HE1      HIS  19  24.980  13.627  -5.890
  162    H    LEU  20           HN       LEU  20  30.302  13.158  -3.680
  163    HA   LEU  20           HA       LEU  20  28.676  12.919  -1.289
  164    HB2  LEU  20           HB2      LEU  20  30.791  10.936  -2.194
  165    HB3  LEU  20           HB1      LEU  20  29.268  10.620  -1.328
  166    HG   LEU  20           HG       LEU  20  29.548  11.591  -4.208
  167   HD11  LEU  20          HD11      LEU  20  28.456   8.992  -3.044
  168   HD12  LEU  20          HD12      LEU  20  30.060   9.177  -3.793
  169   HD13  LEU  20          HD13      LEU  20  28.588   9.404  -4.769
  170   HD21  LEU  20          HD21      LEU  20  26.998  11.151  -4.167
  171   HD22  LEU  20          HD22      LEU  20  27.566  12.621  -3.345
  172   HD23  LEU  20          HD23      LEU  20  27.135  11.180  -2.393
  Start of MODEL   14
    1    H1   TRP   1           HT1      TRP   1  30.468   7.215  15.708
    2    H2   TRP   1           HT2      TRP   1  31.530   6.121  16.459
    3    H3   TRP   1           HT3      TRP   1  31.032   5.865  14.855
    4    HA   TRP   1           HA       TRP   1  32.052   8.203  14.499
    5    HB2  TRP   1           HB2      TRP   1  33.801   7.090  16.719
    6    HB3  TRP   1           HB1      TRP   1  33.893   8.684  15.933
    7    HD1  TRP   1           HD1      TRP   1  31.121   9.832  16.087
    8    HE1  TRP   1           HE1      TRP   1  29.878  10.318  18.319
    9    HE3  TRP   1           HE3      TRP   1  33.703   6.651  19.157
   10    HZ2  TRP   1           HZ2      TRP   1  30.012   9.425  21.054
   11    HZ3  TRP   1           HZ3      TRP   1  33.128   6.483  21.574
   12    HH2  TRP   1           HH2      TRP   1  31.287   7.866  22.524
   13    H    LEU   2           HN       LEU   2  33.007   7.763  12.634
   14    HA   LEU   2           HA       LEU   2  33.890   5.183  11.877
   15    HB2  LEU   2           HB2      LEU   2  33.334   6.844  10.209
   16    HB3  LEU   2           HB1      LEU   2  34.600   7.938  10.805
   17    HG   LEU   2           HG       LEU   2  36.355   6.446  10.034
   18   HD11  LEU   2          HD11      LEU   2  35.606   4.326   8.720
   19   HD12  LEU   2          HD12      LEU   2  34.052   4.513   9.568
   20   HD13  LEU   2          HD13      LEU   2  35.550   4.254  10.496
   21   HD21  LEU   2          HD21      LEU   2  35.907   6.451   7.614
   22   HD22  LEU   2          HD22      LEU   2  35.275   7.941   8.354
   23   HD23  LEU   2          HD23      LEU   2  34.163   6.622   7.919
   24    H    ARG   3           HN       ARG   3  36.149   7.908  11.892
   25    HA   ARG   3           HA       ARG   3  37.937   6.711  13.858
   26    HB2  ARG   3           HB2      ARG   3  38.315   5.276  11.788
   27    HB3  ARG   3           HB1      ARG   3  38.896   6.747  10.969
   28    HG2  ARG   3           HG2      ARG   3  40.658   7.036  12.645
   29    HG3  ARG   3           HG1      ARG   3  40.041   5.647  13.572
   30    HD2  ARG   3           HD2      ARG   3  40.425   4.222  11.498
   31    HD3  ARG   3           HD1      ARG   3  41.271   5.616  10.786
   32    HE   ARG   3           HE       ARG   3  42.440   3.806  12.636
   33   HH11  ARG   3          HH11      ARG   3  42.266   5.760  14.716
   34   HH12  ARG   3          HH12      ARG   3  43.585   6.843  14.418
   35   HH21  ARG   3          HH21      ARG   3  44.031   5.816  11.136
   36   HH22  ARG   3          HH22      ARG   3  44.585   6.873  12.391
   37    H    ARG   4           HN       ARG   4  36.853   9.038  11.631
   38    HA   ARG   4           HA       ARG   4  38.450  11.147  12.960
   39    HB2  ARG   4           HB2      ARG   4  38.567  10.622   9.958
   40    HB3  ARG   4           HB1      ARG   4  39.114  12.125  10.739
   41    HG2  ARG   4           HG2      ARG   4  40.635  10.672  12.197
   42    HG3  ARG   4           HG1      ARG   4  40.229   9.317  11.118
   43    HD2  ARG   4           HD2      ARG   4  41.021  10.688   9.170
   44    HD3  ARG   4           HD1      ARG   4  41.534  11.952  10.313
   45    HE   ARG   4           HE       ARG   4  43.417  10.621  10.809
   46   HH11  ARG   4          HH11      ARG   4  40.990   8.839   9.140
   47   HH12  ARG   4          HH12      ARG   4  41.877   7.352   9.161
   48   HH21  ARG   4          HH21      ARG   4  44.540   8.656  10.956
   49   HH22  ARG   4          HH22      ARG   4  43.888   7.247  10.188
   50    H    ILE   5           HN       ILE   5  35.664   9.854  11.656
   51    HA   ILE   5           HA       ILE   5  33.599  10.744  11.098
   52    HB   ILE   5           HB       ILE   5  34.291  13.195  12.766
   53   HG12  ILE   5          HG12      ILE   5  33.760  10.356  13.762
   54   HG13  ILE   5          HG11      ILE   5  35.254  11.295  13.985
   55   HG21  ILE   5          HG21      ILE   5  31.980  13.141  13.352
   56   HG22  ILE   5          HG22      ILE   5  31.788  11.460  12.800
   57   HG23  ILE   5          HG23      ILE   5  32.004  12.768  11.614
   58   HD11  ILE   5           HD1      ILE   5  34.079  11.550  16.037
   59   HD12  ILE   5           HD2      ILE   5  32.520  11.785  15.214
   60   HD13  ILE   5           HD3      ILE   5  33.760  13.061  15.155
   61    H    GLY   6           HN       GLY   6  35.724  11.328   9.261
   62    HA2  GLY   6           HA1      GLY   6  34.546  13.021   7.445
   63    HA3  GLY   6           HA2      GLY   6  35.469  14.140   8.470
   64    H    LYS   7           HN       LYS   7  36.427  10.810   7.724
   65    HA   LYS   7           HA       LYS   7  39.074  11.554   6.989
   66    HB2  LYS   7           HB2      LYS   7  38.206   9.247   7.655
   67    HB3  LYS   7           HB1      LYS   7  37.606   9.087   5.987
   68    HG2  LYS   7           HG2      LYS   7  39.999   9.669   5.227
   69    HG3  LYS   7           HG1      LYS   7  40.486   9.423   6.921
   70    HD2  LYS   7           HD2      LYS   7  39.080   7.366   5.158
   71    HD3  LYS   7           HD1      LYS   7  40.805   7.356   5.590
   72    HE2  LYS   7           HE2      LYS   7  39.981   7.375   8.063
   73    HE3  LYS   7           HE1      LYS   7  38.400   6.908   7.389
   74    HZ1  LYS   7           HZ1      LYS   7  40.777   5.343   7.718
   75    HZ2  LYS   7           HZ2      LYS   7  40.189   5.274   6.126
   76    HZ3  LYS   7           HZ3      LYS   7  39.183   4.842   7.425
   77    H    GLY   8           HN       GLY   8  39.938  12.403   5.213
   78    HA2  GLY   8           HA1      GLY   8  38.966  11.816   2.562
   79    HA3  GLY   8           HA2      GLY   8  38.416  13.420   3.085
   80    H    VAL   9           HN       VAL   9  40.226  12.726   0.906
   81    HA   VAL   9           HA       VAL   9  42.945  13.250   1.680
   82    HB   VAL   9           HB       VAL   9  43.075  14.023  -0.852
   83   HG11  VAL   9          HG11      VAL   9  43.909  11.860  -0.123
   84   HG12  VAL   9          HG12      VAL   9  42.918  11.611  -1.579
   85   HG13  VAL   9          HG13      VAL   9  42.255  11.219   0.025
   86   HG21  VAL   9          HG21      VAL   9  40.399  12.565  -0.916
   87   HG22  VAL   9          HG22      VAL   9  41.208  13.457  -2.228
   88   HG23  VAL   9          HG23      VAL   9  40.496  14.340  -0.858
   89    H    LYS  10           HN       LYS  10  41.856  15.486  -0.717
   90    HA   LYS  10           HA       LYS  10  41.502  17.738   1.125
   91    HB2  LYS  10           HB2      LYS  10  43.947  17.486   1.224
   92    HB3  LYS  10           HB1      LYS  10  44.040  17.503  -0.549
   93    HG2  LYS  10           HG2      LYS  10  44.637  19.702   0.439
   94    HG3  LYS  10           HG1      LYS  10  43.204  19.821  -0.601
   95    HD2  LYS  10           HD2      LYS  10  41.728  20.064   1.236
   96    HD3  LYS  10           HD1      LYS  10  42.883  19.347   2.386
   97    HE2  LYS  10           HE2      LYS  10  44.354  21.349   2.110
   98    HE3  LYS  10           HE1      LYS  10  43.141  22.066   1.022
   99    HZ1  LYS  10           HZ1      LYS  10  42.686  21.278   3.859
  100    HZ2  LYS  10           HZ2      LYS  10  41.528  21.966   2.822
  101    HZ3  LYS  10           HZ3      LYS  10  42.891  22.864   3.294
  102    H    ILE  11           HN       ILE  11  41.524  16.205  -1.956
  103    HA   ILE  11           HA       ILE  11  40.300  18.654  -3.239
  104    HB   ILE  11           HB       ILE  11  41.601  16.322  -4.689
  105   HG12  ILE  11          HG12      ILE  11  42.827  18.965  -3.774
  106   HG13  ILE  11          HG11      ILE  11  43.308  17.336  -3.249
  107   HG21  ILE  11          HG21      ILE  11  41.180  19.202  -5.591
  108   HG22  ILE  11          HG22      ILE  11  39.956  17.936  -5.845
  109   HG23  ILE  11          HG23      ILE  11  41.561  17.782  -6.593
  110   HD11  ILE  11           HD1      ILE  11  43.677  18.632  -5.970
  111   HD12  ILE  11           HD2      ILE  11  43.744  16.863  -5.772
  112   HD13  ILE  11           HD3      ILE  11  44.905  17.902  -4.913
  113    H    ILE  12           HN       ILE  12  40.293  15.056  -3.216
  114    HA   ILE  12           HA       ILE  12  37.571  15.064  -4.426
  115    HB   ILE  12           HB       ILE  12  39.371  12.774  -3.554
  116   HG12  ILE  12          HG12      ILE  12  40.491  14.035  -5.300
  117   HG13  ILE  12          HG11      ILE  12  39.869  12.534  -6.016
  118   HG21  ILE  12          HG21      ILE  12  37.280  11.743  -3.725
  119   HG22  ILE  12          HG22      ILE  12  37.785  11.630  -5.423
  120   HG23  ILE  12          HG23      ILE  12  36.667  12.914  -4.910
  121   HD11  ILE  12           HD1      ILE  12  38.858  15.374  -6.361
  122   HD12  ILE  12           HD2      ILE  12  37.770  13.997  -6.645
  123   HD13  ILE  12           HD3      ILE  12  39.254  14.168  -7.604
  124    H    GLY  13           HN       GLY  13  38.411  12.496  -2.199
  125    HA2  GLY  13           HA1      GLY  13  36.058  12.721  -0.658
  126    HA3  GLY  13           HA2      GLY  13  37.566  11.957  -0.108
  127    H    GLY  14           HN       GLY  14  38.673  14.711  -0.968
  128    HA2  GLY  14           HA1      GLY  14  38.677  15.889   1.728
  129    HA3  GLY  14           HA2      GLY  14  39.590  16.442   0.307
  130    H    ALA  15           HN       ALA  15  37.673  16.828  -1.633
  131    HA   ALA  15           HA       ALA  15  36.277  19.211  -0.492
  132    HB1  ALA  15           HB1      ALA  15  35.715  19.754  -2.756
  133    HB2  ALA  15           HB2      ALA  15  36.118  18.118  -3.320
  134    HB3  ALA  15           HB3      ALA  15  37.409  19.214  -2.760
  135    H    ALA  16           HN       ALA  16  35.652  16.447   0.327
  136    HA   ALA  16           HA       ALA  16  33.704  15.420   1.035
  137    HB1  ALA  16           HB1      ALA  16  31.611  16.432   0.835
  138    HB2  ALA  16           HB2      ALA  16  31.960  17.094  -0.780
  139    HB3  ALA  16           HB3      ALA  16  32.696  17.831   0.663
  140    H    LEU  17           HN       LEU  17  35.375  14.526  -1.115
  141    HA   LEU  17           HA       LEU  17  35.299  13.023  -2.893
  142    HB2  LEU  17           HB2      LEU  17  33.722  12.036  -0.884
  143    HB3  LEU  17           HB1      LEU  17  32.533  12.068  -2.201
  144    HG   LEU  17           HG       LEU  17  35.280  10.728  -2.335
  145   HD11  LEU  17          HD11      LEU  17  32.499   9.491  -2.172
  146   HD12  LEU  17          HD12      LEU  17  33.615   9.636  -0.793
  147   HD13  LEU  17          HD13      LEU  17  34.056   8.628  -2.193
  148   HD21  LEU  17          HD21      LEU  17  34.336   9.734  -4.436
  149   HD22  LEU  17          HD22      LEU  17  34.512  11.502  -4.535
  150   HD23  LEU  17          HD23      LEU  17  32.909  10.780  -4.258
  151    H    ASP  18           HN       ASP  18  34.253  15.723  -3.329
  152    HA   ASP  18           HA       ASP  18  33.046  16.916  -4.916
  153    HB2  ASP  18           HB2      ASP  18  33.514  14.349  -6.484
  154    HB3  ASP  18           HB1      ASP  18  33.021  15.909  -7.187
  155    H    HIS  19           HN       HIS  19  31.312  16.064  -3.088
  156    HA   HIS  19           HA       HIS  19  29.093  15.485  -2.727
  157    HB2  HIS  19           HB2      HIS  19  28.699  16.116  -5.672
  158    HB3  HIS  19           HB1      HIS  19  27.517  16.271  -4.350
  159    HD1  HIS  19           HD1      HIS  19  29.956  17.488  -2.429
  160    HD2  HIS  19           HD2      HIS  19  28.508  18.979  -6.086
  161    HE1  HIS  19           HE1      HIS  19  30.520  19.980  -2.513
  162    H    LEU  20           HN       LEU  20  30.410  13.234  -2.831
  163    HA   LEU  20           HA       LEU  20  30.316  10.981  -3.403
  164    HB2  LEU  20           HB2      LEU  20  27.439  11.894  -3.729
  165    HB3  LEU  20           HB1      LEU  20  27.901  10.197  -3.996
  166    HG   LEU  20           HG       LEU  20  28.860  10.093  -1.715
  167   HD11  LEU  20          HD11      LEU  20  28.205  12.075  -0.167
  168   HD12  LEU  20          HD12      LEU  20  27.996  13.010  -1.666
  169   HD13  LEU  20          HD13      LEU  20  29.584  12.315  -1.260
  170   HD21  LEU  20          HD21      LEU  20  26.742  10.124  -0.504
  171   HD22  LEU  20          HD22      LEU  20  26.436   9.569  -2.168
  172   HD23  LEU  20          HD23      LEU  20  26.032  11.238  -1.697
  Start of MODEL   15
    1    H1   TRP   1           HT1      TRP   1  33.082   4.468   1.532
    2    H2   TRP   1           HT2      TRP   1  33.216   5.673   2.722
    3    H3   TRP   1           HT3      TRP   1  32.807   4.082   3.160
    4    HA   TRP   1           HA       TRP   1  34.918   3.268   2.622
    5    HB2  TRP   1           HB2      TRP   1  35.272   6.037   1.421
    6    HB3  TRP   1           HB1      TRP   1  36.671   5.013   1.835
    7    HD1  TRP   1           HD1      TRP   1  36.208   2.308   0.823
    8    HE1  TRP   1           HE1      TRP   1  35.613   1.681  -1.631
    9    HE3  TRP   1           HE3      TRP   1  34.326   6.811  -0.727
   10    HZ2  TRP   1           HZ2      TRP   1  34.474   2.986  -3.932
   11    HZ3  TRP   1           HZ3      TRP   1  33.491   7.097  -3.055
   12    HH2  TRP   1           HH2      TRP   1  33.563   5.191  -4.658
   13    H    LEU   2           HN       LEU   2  36.772   3.448   3.962
   14    HA   LEU   2           HA       LEU   2  36.629   5.582   6.072
   15    HB2  LEU   2           HB2      LEU   2  37.118   2.643   6.623
   16    HB3  LEU   2           HB1      LEU   2  37.077   3.980   7.798
   17    HG   LEU   2           HG       LEU   2  34.696   3.257   6.031
   18   HD11  LEU   2          HD11      LEU   2  33.781   2.053   7.989
   19   HD12  LEU   2          HD12      LEU   2  35.292   2.351   8.882
   20   HD13  LEU   2          HD13      LEU   2  35.302   1.311   7.437
   21   HD21  LEU   2          HD21      LEU   2  35.092   4.974   8.523
   22   HD22  LEU   2          HD22      LEU   2  33.488   4.427   7.988
   23   HD23  LEU   2          HD23      LEU   2  34.463   5.473   6.937
   24    H    ARG   3           HN       ARG   3  38.337   3.985   3.705
   25    HA   ARG   3           HA       ARG   3  40.897   3.484   4.683
   26    HB2  ARG   3           HB2      ARG   3  40.089   4.965   2.147
   27    HB3  ARG   3           HB1      ARG   3  41.744   4.401   2.481
   28    HG2  ARG   3           HG2      ARG   3  41.032   2.096   2.559
   29    HG3  ARG   3           HG1      ARG   3  39.315   2.566   2.531
   30    HD2  ARG   3           HD2      ARG   3  39.559   3.471   0.267
   31    HD3  ARG   3           HD1      ARG   3  41.306   3.132   0.292
   32    HE   ARG   3           HE       ARG   3  39.252   1.220  -0.339
   33   HH11  ARG   3          HH11      ARG   3  41.979   0.765  -1.262
   34   HH12  ARG   3          HH12      ARG   3  42.552  -0.505  -0.235
   35   HH21  ARG   3          HH21      ARG   3  40.075  -0.055   2.150
   36   HH22  ARG   3          HH22      ARG   3  41.475  -0.971   1.697
   37    H    ARG   4           HN       ARG   4  39.123   6.417   4.635
   38    HA   ARG   4           HA       ARG   4  41.501   7.957   5.659
   39    HB2  ARG   4           HB2      ARG   4  39.059   9.112   4.256
   40    HB3  ARG   4           HB1      ARG   4  40.563   9.953   4.696
   41    HG2  ARG   4           HG2      ARG   4  40.365   7.650   2.700
   42    HG3  ARG   4           HG1      ARG   4  40.474   9.370   2.266
   43    HD2  ARG   4           HD2      ARG   4  42.645   9.389   3.714
   44    HD3  ARG   4           HD1      ARG   4  42.571   7.615   3.582
   45    HE   ARG   4           HE       ARG   4  42.315   8.899   0.988
   46   HH11  ARG   4          HH11      ARG   4  44.767  10.208   1.902
   47   HH12  ARG   4          HH12      ARG   4  46.002   9.048   1.539
   48   HH21  ARG   4          HH21      ARG   4  43.785   6.404   1.192
   49   HH22  ARG   4          HH22      ARG   4  45.445   6.894   1.136
   50    H    ILE   5           HN       ILE   5  38.376   6.602   6.262
   51    HA   ILE   5           HA       ILE   5  36.971   6.792   8.085
   52    HB   ILE   5           HB       ILE   5  39.187   8.300   9.535
   53   HG12  ILE   5          HG12      ILE   5  38.898   5.301   9.032
   54   HG13  ILE   5          HG11      ILE   5  40.215   6.347   8.456
   55   HG21  ILE   5          HG21      ILE   5  37.235   6.211  10.588
   56   HG22  ILE   5          HG22      ILE   5  36.823   7.941  10.526
   57   HG23  ILE   5          HG23      ILE   5  38.195   7.391  11.512
   58   HD11  ILE   5           HD1      ILE   5  41.104   5.293  10.391
   59   HD12  ILE   5           HD2      ILE   5  39.591   5.492  11.302
   60   HD13  ILE   5           HD3      ILE   5  40.618   6.906  10.962
   61    H    GLY   6           HN       GLY   6  36.275   8.522   6.258
   62    HA2  GLY   6           HA1      GLY   6  35.198  10.528   5.885
   63    HA3  GLY   6           HA2      GLY   6  34.903  10.554   7.633
   64    H    LYS   7           HN       LYS   7  38.228  10.451   7.071
   65    HA   LYS   7           HA       LYS   7  38.529  13.195   7.993
   66    HB2  LYS   7           HB2      LYS   7  40.095  11.241   8.480
   67    HB3  LYS   7           HB1      LYS   7  40.696  11.418   6.814
   68    HG2  LYS   7           HG2      LYS   7  41.125  13.885   7.373
   69    HG3  LYS   7           HG1      LYS   7  40.814  13.461   9.072
   70    HD2  LYS   7           HD2      LYS   7  42.966  12.275   7.261
   71    HD3  LYS   7           HD1      LYS   7  43.224  13.374   8.636
   72    HE2  LYS   7           HE2      LYS   7  42.323  10.477   8.666
   73    HE3  LYS   7           HE1      LYS   7  43.664  11.236   9.553
   74    HZ1  LYS   7           HZ1      LYS   7  41.629  12.641  10.499
   75    HZ2  LYS   7           HZ2      LYS   7  42.151  11.189  11.209
   76    HZ3  LYS   7           HZ3      LYS   7  40.811  11.193  10.165
   77    H    GLY   8           HN       GLY   8  38.459  11.583   4.885
   78    HA2  GLY   8           HA1      GLY   8  38.274  12.560   2.777
   79    HA3  GLY   8           HA2      GLY   8  38.398  14.167   3.521
   80    H    VAL   9           HN       VAL   9  39.646  13.200   1.076
   81    HA   VAL   9           HA       VAL   9  42.448  12.673   1.634
   82    HB   VAL   9           HB       VAL   9  41.111  13.695  -0.914
   83   HG11  VAL   9          HG11      VAL   9  43.213  12.665  -1.948
   84   HG12  VAL   9          HG12      VAL   9  43.885  12.594  -0.301
   85   HG13  VAL   9          HG13      VAL   9  43.472  14.165  -1.029
   86   HG21  VAL   9          HG21      VAL   9  41.236  11.322  -1.611
   87   HG22  VAL   9          HG22      VAL   9  40.256  11.496  -0.135
   88   HG23  VAL   9          HG23      VAL   9  41.926  10.888  -0.029
   89    H    LYS  10           HN       LYS  10  41.275  15.411  -0.338
   90    HA   LYS  10           HA       LYS  10  42.262  17.446   1.466
   91    HB2  LYS  10           HB2      LYS  10  44.429  16.389   0.694
   92    HB3  LYS  10           HB1      LYS  10  44.019  16.910  -0.958
   93    HG2  LYS  10           HG2      LYS  10  43.901  19.259  -0.200
   94    HG3  LYS  10           HG1      LYS  10  44.288  18.750   1.462
   95    HD2  LYS  10           HD2      LYS  10  46.471  17.930   0.767
   96    HD3  LYS  10           HD1      LYS  10  46.082  18.225  -0.946
   97    HE2  LYS  10           HE2      LYS  10  45.800  20.673  -0.387
   98    HE3  LYS  10           HE1      LYS  10  46.397  20.314   1.251
   99    HZ1  LYS  10           HZ1      LYS  10  47.843  20.503  -1.244
  100    HZ2  LYS  10           HZ2      LYS  10  48.244  19.132  -0.323
  101    HZ3  LYS  10           HZ3      LYS  10  48.396  20.685   0.349
  102    H    ILE  11           HN       ILE  11  41.156  16.318  -1.644
  103    HA   ILE  11           HA       ILE  11  40.022  19.055  -2.190
  104    HB   ILE  11           HB       ILE  11  41.090  17.213  -4.371
  105   HG12  ILE  11          HG12      ILE  11  42.447  19.592  -3.018
  106   HG13  ILE  11          HG11      ILE  11  42.974  17.895  -2.930
  107   HG21  ILE  11          HG21      ILE  11  40.560  20.214  -4.421
  108   HG22  ILE  11          HG22      ILE  11  39.304  19.019  -4.822
  109   HG23  ILE  11          HG23      ILE  11  40.786  19.114  -5.801
  110   HD11  ILE  11           HD1      ILE  11  43.072  17.996  -5.532
  111   HD12  ILE  11           HD2      ILE  11  44.349  18.836  -4.621
  112   HD13  ILE  11           HD3      ILE  11  43.004  19.763  -5.324
  113    H    ILE  12           HN       ILE  12  39.975  15.569  -3.020
  114    HA   ILE  12           HA       ILE  12  37.214  15.731  -4.005
  115    HB   ILE  12           HB       ILE  12  38.981  13.368  -3.280
  116   HG12  ILE  12          HG12      ILE  12  38.365  14.232  -6.136
  117   HG13  ILE  12          HG11      ILE  12  39.631  15.087  -5.229
  118   HG21  ILE  12          HG21      ILE  12  36.238  13.600  -4.574
  119   HG22  ILE  12          HG22      ILE  12  36.807  12.448  -3.344
  120   HG23  ILE  12          HG23      ILE  12  37.302  12.253  -5.036
  121   HD11  ILE  12           HD1      ILE  12  39.596  12.052  -5.419
  122   HD12  ILE  12           HD2      ILE  12  40.944  13.122  -4.972
  123   HD13  ILE  12           HD3      ILE  12  40.373  13.066  -6.657
  124    H    GLY  13           HN       GLY  13  38.178  13.129  -1.815
  125    HA2  GLY  13           HA1      GLY  13  35.813  13.282  -0.232
  126    HA3  GLY  13           HA2      GLY  13  37.335  12.495   0.248
  127    H    GLY  14           HN       GLY  14  38.384  15.272  -0.642
  128    HA2  GLY  14           HA1      GLY  14  38.577  16.395   2.073
  129    HA3  GLY  14           HA2      GLY  14  39.365  17.001   0.599
  130    H    ALA  15           HN       ALA  15  37.268  17.399  -1.153
  131    HA   ALA  15           HA       ALA  15  35.926  19.723   0.178
  132    HB1  ALA  15           HB1      ALA  15  36.921  19.921  -2.125
  133    HB2  ALA  15           HB2      ALA  15  35.193  20.329  -2.043
  134    HB3  ALA  15           HB3      ALA  15  35.701  18.757  -2.698
  135    H    ALA  16           HN       ALA  16  35.414  16.935   0.911
  136    HA   ALA  16           HA       ALA  16  33.546  15.784   1.634
  137    HB1  ALA  16           HB1      ALA  16  31.418  16.754   1.632
  138    HB2  ALA  16           HB2      ALA  16  31.664  17.559   0.066
  139    HB3  ALA  16           HB3      ALA  16  32.468  18.185   1.524
  140    H    LEU  17           HN       LEU  17  35.086  15.027  -0.611
  141    HA   LEU  17           HA       LEU  17  34.933  13.539  -2.396
  142    HB2  LEU  17           HB2      LEU  17  33.312  12.467  -0.631
  143    HB3  LEU  17           HB1      LEU  17  32.022  13.041  -1.709
  144    HG   LEU  17           HG       LEU  17  33.513  11.848  -3.602
  145   HD11  LEU  17          HD11      LEU  17  34.182  10.154  -1.156
  146   HD12  LEU  17          HD12      LEU  17  35.331  11.300  -1.883
  147   HD13  LEU  17          HD13      LEU  17  34.735   9.917  -2.829
  148   HD21  LEU  17          HD21      LEU  17  32.208   9.760  -3.241
  149   HD22  LEU  17          HD22      LEU  17  31.199  11.207  -3.007
  150   HD23  LEU  17          HD23      LEU  17  31.802  10.304  -1.596
  151    H    ASP  18           HN       ASP  18  34.114  16.400  -2.625
  152    HA   ASP  18           HA       ASP  18  33.285  17.806  -4.263
  153    HB2  ASP  18           HB2      ASP  18  34.703  16.306  -5.693
  154    HB3  ASP  18           HB1      ASP  18  33.254  15.330  -6.029
  155    H    HIS  19           HN       HIS  19  31.627  14.843  -5.400
  156    HA   HIS  19           HA       HIS  19  29.156  16.032  -5.911
  157    HB2  HIS  19           HB2      HIS  19  29.510  13.233  -4.776
  158    HB3  HIS  19           HB1      HIS  19  28.203  13.817  -5.835
  159    HD1  HIS  19           HD1      HIS  19  31.210  15.406  -6.992
  160    HD2  HIS  19           HD2      HIS  19  29.622  11.531  -7.392
  161    HE1  HIS  19           HE1      HIS  19  32.329  14.329  -9.020
  162    H    LEU  20           HN       LEU  20  29.892  14.119  -2.951
  163    HA   LEU  20           HA       LEU  20  27.534  15.195  -1.595
  164    HB2  LEU  20           HB2      LEU  20  29.851  13.752  -0.267
  165    HB3  LEU  20           HB1      LEU  20  28.133  13.768   0.200
  166    HG   LEU  20           HG       LEU  20  29.325  12.478  -2.295
  167   HD11  LEU  20          HD11      LEU  20  28.635  10.381  -1.244
  168   HD12  LEU  20          HD12      LEU  20  27.912  11.265   0.121
  169   HD13  LEU  20          HD13      LEU  20  29.676  11.280  -0.117
  170   HD21  LEU  20          HD21      LEU  20  26.904  11.588  -2.494
  171   HD22  LEU  20          HD22      LEU  20  27.164  13.291  -2.934
  172   HD23  LEU  20          HD23      LEU  20  26.455  12.879  -1.353
  Start of MODEL   16
    1    H1   TRP   1           HT1      TRP   1  53.609   6.388  -4.614
    2    H2   TRP   1           HT2      TRP   1  52.592   5.047  -4.844
    3    H3   TRP   1           HT3      TRP   1  53.622   5.116  -3.493
    4    HA   TRP   1           HA       TRP   1  52.137   7.413  -3.408
    5    HB2  TRP   1           HB2      TRP   1  50.333   4.995  -3.758
    6    HB3  TRP   1           HB1      TRP   1  49.860   6.700  -3.570
    7    HD1  TRP   1           HD1      TRP   1  51.511   8.206  -5.600
    8    HE1  TRP   1           HE1      TRP   1  51.337   7.815  -8.165
    9    HE3  TRP   1           HE3      TRP   1  49.537   3.482  -5.565
   10    HZ2  TRP   1           HZ2      TRP   1  50.453   5.721  -9.932
   11    HZ3  TRP   1           HZ3      TRP   1  49.035   2.307  -7.702
   12    HH2  TRP   1           HH2      TRP   1  49.492   3.421  -9.883
   13    H    LEU   2           HN       LEU   2  52.055   7.817  -1.294
   14    HA   LEU   2           HA       LEU   2  53.018   6.030   0.641
   15    HB2  LEU   2           HB2      LEU   2  52.912   8.402   1.090
   16    HB3  LEU   2           HB1      LEU   2  51.144   8.403   0.915
   17    HG   LEU   2           HG       LEU   2  50.863   7.105   2.943
   18   HD11  LEU   2          HD11      LEU   2  53.011   6.540   4.298
   19   HD12  LEU   2          HD12      LEU   2  53.881   6.766   2.760
   20   HD13  LEU   2          HD13      LEU   2  52.628   5.508   2.901
   21   HD21  LEU   2          HD21      LEU   2  53.024   9.207   3.410
   22   HD22  LEU   2          HD22      LEU   2  51.827   8.637   4.597
   23   HD23  LEU   2          HD23      LEU   2  51.297   9.560   3.171
   24    H    ARG   3           HN       ARG   3  49.696   7.203   0.869
   25    HA   ARG   3           HA       ARG   3  48.593   4.453   0.865
   26    HB2  ARG   3           HB2      ARG   3  49.410   4.942   3.239
   27    HB3  ARG   3           HB1      ARG   3  48.214   6.257   3.291
   28    HG2  ARG   3           HG2      ARG   3  46.384   4.692   2.935
   29    HG3  ARG   3           HG1      ARG   3  47.525   3.353   2.659
   30    HD2  ARG   3           HD2      ARG   3  46.610   3.290   4.962
   31    HD3  ARG   3           HD1      ARG   3  48.366   3.582   4.974
   32    HE   ARG   3           HE       ARG   3  46.836   6.063   4.989
   33   HH11  ARG   3          HH11      ARG   3  49.263   4.515   6.547
   34   HH12  ARG   3          HH12      ARG   3  48.791   4.940   8.159
   35   HH21  ARG   3          HH21      ARG   3  45.686   6.160   7.214
   36   HH22  ARG   3          HH22      ARG   3  46.766   5.871   8.537
   37    H    ARG   4           HN       ARG   4  48.550   7.775   0.384
   38    HA   ARG   4           HA       ARG   4  46.053   7.731  -1.012
   39    HB2  ARG   4           HB2      ARG   4  44.826   9.340   0.528
   40    HB3  ARG   4           HB1      ARG   4  44.946   7.665   1.119
   41    HG2  ARG   4           HG2      ARG   4  46.820   8.252   2.567
   42    HG3  ARG   4           HG1      ARG   4  46.869   9.900   1.896
   43    HD2  ARG   4           HD2      ARG   4  44.674  10.406   2.813
   44    HD3  ARG   4           HD1      ARG   4  44.454   8.718   3.331
   45    HE   ARG   4           HE       ARG   4  46.827   9.673   4.561
   46   HH11  ARG   4          HH11      ARG   4  44.550   8.488   6.081
   47   HH12  ARG   4          HH12      ARG   4  43.995   9.832   7.024
   48   HH21  ARG   4          HH21      ARG   4  45.638  12.202   5.098
   49   HH22  ARG   4          HH22      ARG   4  44.611  11.934   6.466
   50    H    ILE   5           HN       ILE   5  49.044   8.868  -0.444
   51    HA   ILE   5           HA       ILE   5  48.835  11.697  -0.615
   52    HB   ILE   5           HB       ILE   5  50.986  10.432  -0.287
   53   HG12  ILE   5          HG12      ILE   5  50.977  12.361  -2.656
   54   HG13  ILE   5          HG11      ILE   5  50.914  12.847  -0.946
   55   HG21  ILE   5          HG21      ILE   5  50.943  10.070  -3.311
   56   HG22  ILE   5          HG22      ILE   5  50.454   8.785  -2.181
   57   HG23  ILE   5          HG23      ILE   5  52.117   9.419  -2.143
   58   HD11  ILE   5           HD1      ILE   5  53.093  11.443  -0.671
   59   HD12  ILE   5           HD2      ILE   5  53.215  13.010  -1.508
   60   HD13  ILE   5           HD3      ILE   5  53.185  11.501  -2.449
   61    H    GLY   6           HN       GLY   6  48.745   9.206  -3.166
   62    HA2  GLY   6           HA1      GLY   6  48.526  11.198  -5.301
   63    HA3  GLY   6           HA2      GLY   6  48.369   9.437  -5.456
   64    H    LYS   7           HN       LYS   7  46.452  10.743  -2.953
   65    HA   LYS   7           HA       LYS   7  44.173  11.591  -4.497
   66    HB2  LYS   7           HB2      LYS   7  42.717   9.589  -4.011
   67    HB3  LYS   7           HB1      LYS   7  43.990   9.292  -5.219
   68    HG2  LYS   7           HG2      LYS   7  45.432   8.320  -3.424
   69    HG3  LYS   7           HG1      LYS   7  44.104   8.553  -2.261
   70    HD2  LYS   7           HD2      LYS   7  42.642   7.100  -3.648
   71    HD3  LYS   7           HD1      LYS   7  43.986   6.849  -4.789
   72    HE2  LYS   7           HE2      LYS   7  45.338   5.811  -3.025
   73    HE3  LYS   7           HE1      LYS   7  44.066   6.135  -1.824
   74    HZ1  LYS   7           HZ1      LYS   7  44.153   4.140  -3.964
   75    HZ2  LYS   7           HZ2      LYS   7  42.642   4.840  -3.623
   76    HZ3  LYS   7           HZ3      LYS   7  43.502   4.030  -2.402
   77    H    GLY   8           HN       GLY   8  45.447  12.680  -2.333
   78    HA2  GLY   8           HA1      GLY   8  44.225  11.888   0.172
   79    HA3  GLY   8           HA2      GLY   8  45.118  13.389  -0.147
   80    H    VAL   9           HN       VAL   9  42.595  12.859   1.360
   81    HA   VAL   9           HA       VAL   9  40.448  14.001  -0.264
   82    HB   VAL   9           HB       VAL   9  39.214  14.127   1.897
   83   HG11  VAL   9          HG11      VAL   9  39.356  12.015   0.516
   84   HG12  VAL   9          HG12      VAL   9  39.076  11.723   2.250
   85   HG13  VAL   9          HG13      VAL   9  40.698  11.486   1.558
   86   HG21  VAL   9          HG21      VAL   9  41.875  13.137   3.016
   87   HG22  VAL   9          HG22      VAL   9  40.341  13.133   3.919
   88   HG23  VAL   9          HG23      VAL   9  41.064  14.673   3.400
   89    H    LYS  10           HN       LYS  10  42.921  15.567  -0.160
   90    HA   LYS  10           HA       LYS  10  42.315  17.887   1.565
   91    HB2  LYS  10           HB2      LYS  10  44.363  17.779  -0.675
   92    HB3  LYS  10           HB1      LYS  10  44.389  18.757   0.813
   93    HG2  LYS  10           HG2      LYS  10  44.682  15.725   0.621
   94    HG3  LYS  10           HG1      LYS  10  45.960  16.892   1.036
   95    HD2  LYS  10           HD2      LYS  10  44.451  17.619   2.996
   96    HD3  LYS  10           HD1      LYS  10  43.488  16.159   2.656
   97    HE2  LYS  10           HE2      LYS  10  46.386  16.346   3.542
   98    HE3  LYS  10           HE1      LYS  10  45.046  15.458   4.308
   99    HZ1  LYS  10           HZ1      LYS  10  46.300  14.839   1.677
  100    HZ2  LYS  10           HZ2      LYS  10  44.965  14.022   2.338
  101    HZ3  LYS  10           HZ3      LYS  10  46.477  13.948   3.109
  102    H    ILE  11           HN       ILE  11  41.341  16.707  -1.462
  103    HA   ILE  11           HA       ILE  11  40.206  19.394  -2.187
  104    HB   ILE  11           HB       ILE  11  41.431  17.512  -4.242
  105   HG12  ILE  11          HG12      ILE  11  42.668  19.971  -2.916
  106   HG13  ILE  11          HG11      ILE  11  43.230  18.292  -2.742
  107   HG21  ILE  11          HG21      ILE  11  39.628  19.256  -4.846
  108   HG22  ILE  11          HG22      ILE  11  41.152  19.349  -5.758
  109   HG23  ILE  11          HG23      ILE  11  40.836  20.495  -4.432
  110   HD11  ILE  11           HD1      ILE  11  44.660  19.205  -4.400
  111   HD12  ILE  11           HD2      ILE  11  43.330  20.075  -5.197
  112   HD13  ILE  11           HD3      ILE  11  43.448  18.304  -5.339
  113    H    ILE  12           HN       ILE  12  40.285  15.870  -2.665
  114    HA   ILE  12           HA       ILE  12  37.693  15.796  -4.014
  115    HB   ILE  12           HB       ILE  12  39.335  13.648  -2.640
  116   HG12  ILE  12          HG12      ILE  12  39.138  14.342  -5.612
  117   HG13  ILE  12          HG11      ILE  12  40.453  14.887  -4.549
  118   HG21  ILE  12          HG21      ILE  12  37.994  12.132  -4.243
  119   HG22  ILE  12          HG22      ILE  12  36.936  13.535  -4.520
  120   HG23  ILE  12          HG23      ILE  12  37.080  12.833  -2.894
  121   HD11  ILE  12           HD1      ILE  12  41.432  12.958  -5.427
  122   HD12  ILE  12           HD2      ILE  12  39.878  12.118  -5.613
  123   HD13  ILE  12           HD3      ILE  12  40.631  12.250  -4.006
  124    H    GLY  13           HN       GLY  13  38.424  13.723  -1.229
  125    HA2  GLY  13           HA1      GLY  13  35.829  14.074  -0.052
  126    HA3  GLY  13           HA2      GLY  13  37.268  13.408   0.753
  127    H    GLY  14           HN       GLY  14  38.385  16.037  -0.559
  128    HA2  GLY  14           HA1      GLY  14  38.277  17.628   1.931
  129    HA3  GLY  14           HA2      GLY  14  39.224  17.980   0.469
  130    H    ALA  15           HN       ALA  15  37.283  17.924  -1.519
  131    HA   ALA  15           HA       ALA  15  35.833  20.456  -0.867
  132    HB1  ALA  15           HB1      ALA  15  37.005  20.215  -3.050
  133    HB2  ALA  15           HB2      ALA  15  35.257  20.471  -3.245
  134    HB3  ALA  15           HB3      ALA  15  35.944  18.843  -3.449
  135    H    ALA  16           HN       ALA  16  35.267  17.869   0.406
  136    HA   ALA  16           HA       ALA  16  33.346  16.864   1.203
  137    HB1  ALA  16           HB1      ALA  16  31.599  18.222  -0.860
  138    HB2  ALA  16           HB2      ALA  16  32.273  19.163   0.492
  139    HB3  ALA  16           HB3      ALA  16  31.224  17.764   0.818
  140    H    LEU  17           HN       LEU  17  35.097  15.759  -0.784
  141    HA   LEU  17           HA       LEU  17  35.106  13.958  -2.267
  142    HB2  LEU  17           HB2      LEU  17  33.535  13.142  -0.323
  143    HB3  LEU  17           HB1      LEU  17  32.231  13.367  -1.508
  144    HG   LEU  17           HG       LEU  17  33.876  11.941  -3.093
  145   HD11  LEU  17          HD11      LEU  17  35.238  10.340  -1.928
  146   HD12  LEU  17          HD12      LEU  17  34.581  10.824  -0.345
  147   HD13  LEU  17          HD13      LEU  17  35.654  11.924  -1.236
  148   HD21  LEU  17          HD21      LEU  17  32.744   9.853  -2.269
  149   HD22  LEU  17          HD22      LEU  17  31.619  11.216  -2.485
  150   HD23  LEU  17          HD23      LEU  17  32.168  10.763  -0.853
  151    H    ASP  18           HN       ASP  18  34.068  16.633  -3.097
  152    HA   ASP  18           HA       ASP  18  33.109  17.593  -4.974
  153    HB2  ASP  18           HB2      ASP  18  33.557  14.811  -6.127
  154    HB3  ASP  18           HB1      ASP  18  33.217  16.281  -7.070
  155    H    HIS  19           HN       HIS  19  31.859  14.331  -5.671
  156    HA   HIS  19           HA       HIS  19  29.266  15.134  -6.339
  157    HB2  HIS  19           HB2      HIS  19  30.256  12.842  -6.647
  158    HB3  HIS  19           HB1      HIS  19  29.979  12.541  -4.914
  159    HD1  HIS  19           HD1      HIS  19  27.566  12.155  -4.106
  160    HD2  HIS  19           HD2      HIS  19  27.870  12.951  -8.224
  161    HE1  HIS  19           HE1      HIS  19  25.282  11.677  -5.145
  162    H    LEU  20           HN       LEU  20  30.223  13.707  -3.172
  163    HA   LEU  20           HA       LEU  20  27.707  14.479  -1.948
  164    HB2  LEU  20           HB2      LEU  20  29.453  12.592  -1.314
  165    HB3  LEU  20           HB1      LEU  20  30.221  13.876  -0.358
  166    HG   LEU  20           HG       LEU  20  27.325  12.931  -0.129
  167   HD11  LEU  20          HD11      LEU  20  29.059  11.402   0.818
  168   HD12  LEU  20          HD12      LEU  20  28.029  12.120   2.079
  169   HD13  LEU  20          HD13      LEU  20  29.673  12.747   1.809
  170   HD21  LEU  20          HD21      LEU  20  27.269  15.257   0.382
  171   HD22  LEU  20          HD22      LEU  20  28.865  15.215   1.171
  172   HD23  LEU  20          HD23      LEU  20  27.454  14.476   1.967
  Start of MODEL   17
    1    H1   TRP   1           HT1      TRP   1  32.711   3.600  11.384
    2    H2   TRP   1           HT2      TRP   1  34.246   3.643  12.111
    3    H3   TRP   1           HT3      TRP   1  34.086   3.193  10.480
    4    HA   TRP   1           HA       TRP   1  32.918   5.567  10.441
    5    HB2  TRP   1           HB2      TRP   1  35.138   5.626  12.521
    6    HB3  TRP   1           HB1      TRP   1  34.481   7.072  11.716
    7    HD1  TRP   1           HD1      TRP   1  33.258   4.098  13.875
    8    HE1  TRP   1           HE1      TRP   1  31.219   4.866  15.296
    9    HE3  TRP   1           HE3      TRP   1  32.731   8.845  12.030
   10    HZ2  TRP   1           HZ2      TRP   1  29.602   7.233  15.569
   11    HZ3  TRP   1           HZ3      TRP   1  30.933  10.340  12.886
   12    HH2  TRP   1           HH2      TRP   1  29.370   9.539  14.652
   13    H    LEU   2           HN       LEU   2  34.557   7.336   9.622
   14    HA   LEU   2           HA       LEU   2  36.009   6.080   7.438
   15    HB2  LEU   2           HB2      LEU   2  36.220   8.971   8.335
   16    HB3  LEU   2           HB1      LEU   2  36.441   8.306   6.699
   17    HG   LEU   2           HG       LEU   2  33.838   8.427   8.287
   18   HD11  LEU   2          HD11      LEU   2  34.702  10.549   7.199
   19   HD12  LEU   2          HD12      LEU   2  33.127   9.995   6.582
   20   HD13  LEU   2          HD13      LEU   2  34.604   9.712   5.632
   21   HD21  LEU   2          HD21      LEU   2  32.901   7.582   6.012
   22   HD22  LEU   2          HD22      LEU   2  33.714   6.389   7.049
   23   HD23  LEU   2          HD23      LEU   2  34.572   7.084   5.652
   24    H    ARG   3           HN       ARG   3  36.738   6.519  10.660
   25    HA   ARG   3           HA       ARG   3  38.696   6.286  11.866
   26    HB2  ARG   3           HB2      ARG   3  40.125   5.615   9.269
   27    HB3  ARG   3           HB1      ARG   3  40.575   5.147  10.917
   28    HG2  ARG   3           HG2      ARG   3  37.953   4.268   9.634
   29    HG3  ARG   3           HG1      ARG   3  39.453   3.334   9.481
   30    HD2  ARG   3           HD2      ARG   3  38.023   4.060  12.077
   31    HD3  ARG   3           HD1      ARG   3  38.160   2.447  11.348
   32    HE   ARG   3           HE       ARG   3  40.797   3.423  11.735
   33   HH11  ARG   3          HH11      ARG   3  38.694   4.070  14.121
   34   HH12  ARG   3          HH12      ARG   3  39.267   2.897  15.259
   35   HH21  ARG   3          HH21      ARG   3  41.255   1.239  12.952
   36   HH22  ARG   3          HH22      ARG   3  40.716   1.295  14.597
   37    H    ARG   4           HN       ARG   4  40.151   7.369   8.768
   38    HA   ARG   4           HA       ARG   4  41.640   9.446  10.188
   39    HB2  ARG   4           HB2      ARG   4  41.296   9.208   7.181
   40    HB3  ARG   4           HB1      ARG   4  42.658   9.905   8.087
   41    HG2  ARG   4           HG2      ARG   4  41.838   6.967   8.022
   42    HG3  ARG   4           HG1      ARG   4  43.276   7.681   7.256
   43    HD2  ARG   4           HD2      ARG   4  42.687   7.327  10.212
   44    HD3  ARG   4           HD1      ARG   4  44.100   6.771   9.287
   45    HE   ARG   4           HE       ARG   4  43.799   9.383  10.500
   46   HH11  ARG   4          HH11      ARG   4  44.899  11.165   9.490
   47   HH12  ARG   4          HH12      ARG   4  46.202  10.794   8.410
   48   HH21  ARG   4          HH21      ARG   4  45.546   7.390   8.360
   49   HH22  ARG   4          HH22      ARG   4  46.568   8.660   7.770
   50    H    ILE   5           HN       ILE   5  38.516   9.359   9.854
   51    HA   ILE   5           HA       ILE   5  36.825  10.919   9.546
   52    HB   ILE   5           HB       ILE   5  38.959  13.035  10.059
   53   HG12  ILE   5          HG12      ILE   5  37.518  11.201  12.031
   54   HG13  ILE   5          HG11      ILE   5  39.267  11.245  11.709
   55   HG21  ILE   5          HG21      ILE   5  37.146  14.308  10.973
   56   HG22  ILE   5          HG22      ILE   5  36.064  12.894  10.995
   57   HG23  ILE   5          HG23      ILE   5  36.532  13.637   9.446
   58   HD11  ILE   5           HD1      ILE   5  39.131  13.754  12.400
   59   HD12  ILE   5           HD2      ILE   5  39.015  12.532  13.688
   60   HD13  ILE   5           HD3      ILE   5  37.543  13.330  13.088
   61    H    GLY   6           HN       GLY   6  36.902  10.263   7.236
   62    HA2  GLY   6           HA1      GLY   6  36.488  11.079   5.084
   63    HA3  GLY   6           HA2      GLY   6  37.094  12.676   5.567
   64    H    LYS   7           HN       LYS   7  38.063   9.363   4.686
   65    HA   LYS   7           HA       LYS   7  40.863   9.851   4.479
   66    HB2  LYS   7           HB2      LYS   7  39.201   7.952   2.779
   67    HB3  LYS   7           HB1      LYS   7  40.937   7.824   3.149
   68    HG2  LYS   7           HG2      LYS   7  40.249   7.753   5.631
   69    HG3  LYS   7           HG1      LYS   7  38.584   7.509   5.056
   70    HD2  LYS   7           HD2      LYS   7  40.993   5.742   4.430
   71    HD3  LYS   7           HD1      LYS   7  39.640   5.335   5.512
   72    HE2  LYS   7           HE2      LYS   7  39.618   5.648   2.491
   73    HE3  LYS   7           HE1      LYS   7  39.093   4.257   3.467
   74    HZ1  LYS   7           HZ1      LYS   7  37.764   6.904   3.222
   75    HZ2  LYS   7           HZ2      LYS   7  37.344   5.759   4.404
   76    HZ3  LYS   7           HZ3      LYS   7  37.157   5.390   2.757
   77    H    GLY   8           HN       GLY   8  40.816   8.748   1.570
   78    HA2  GLY   8           HA1      GLY   8  40.865   9.622  -0.590
   79    HA3  GLY   8           HA2      GLY   8  40.003  11.063  -0.017
   80    H    VAL   9           HN       VAL   9  41.574  12.037  -1.606
   81    HA   VAL   9           HA       VAL   9  44.376  12.184  -0.775
   82    HB   VAL   9           HB       VAL   9  42.898  14.019  -2.708
   83   HG11  VAL   9          HG11      VAL   9  45.131  14.787  -2.008
   84   HG12  VAL   9          HG12      VAL   9  45.179  14.228  -3.696
   85   HG13  VAL   9          HG13      VAL   9  45.820  13.193  -2.397
   86   HG21  VAL   9          HG21      VAL   9  44.329  11.375  -3.249
   87   HG22  VAL   9          HG22      VAL   9  43.608  12.448  -4.473
   88   HG23  VAL   9          HG23      VAL   9  42.566  11.616  -3.295
   89    H    LYS  10           HN       LYS  10  41.907  14.764  -1.202
   90    HA   LYS  10           HA       LYS  10  42.305  15.836   1.451
   91    HB2  LYS  10           HB2      LYS  10  44.498  16.490   0.528
   92    HB3  LYS  10           HB1      LYS  10  43.687  17.301  -0.833
   93    HG2  LYS  10           HG2      LYS  10  42.664  18.922   0.624
   94    HG3  LYS  10           HG1      LYS  10  43.140  18.011   2.077
   95    HD2  LYS  10           HD2      LYS  10  44.647  19.929   1.758
   96    HD3  LYS  10           HD1      LYS  10  45.538  18.408   1.520
   97    HE2  LYS  10           HE2      LYS  10  45.608  18.676  -0.835
   98    HE3  LYS  10           HE1      LYS  10  44.283  19.866  -0.835
   99    HZ1  LYS  10           HZ1      LYS  10  45.956  21.186   0.657
  100    HZ2  LYS  10           HZ2      LYS  10  46.094  21.219  -1.037
  101    HZ3  LYS  10           HZ3      LYS  10  47.113  20.218  -0.118
  102    H    ILE  11           HN       ILE  11  41.787  17.023  -1.914
  103    HA   ILE  11           HA       ILE  11  39.570  18.718  -1.012
  104    HB   ILE  11           HB       ILE  11  39.215  19.145  -3.429
  105   HG12  ILE  11          HG12      ILE  11  41.534  17.178  -3.722
  106   HG13  ILE  11          HG11      ILE  11  39.876  16.957  -4.328
  107   HG21  ILE  11          HG21      ILE  11  42.175  19.344  -2.731
  108   HG22  ILE  11          HG22      ILE  11  40.940  20.375  -1.969
  109   HG23  ILE  11          HG23      ILE  11  41.210  20.461  -3.725
  110   HD11  ILE  11           HD1      ILE  11  42.004  18.892  -5.300
  111   HD12  ILE  11           HD2      ILE  11  40.280  19.171  -5.647
  112   HD13  ILE  11           HD3      ILE  11  41.080  17.694  -6.233
  113    H    ILE  12           HN       ILE  12  39.750  15.511  -1.164
  114    HA   ILE  12           HA       ILE  12  37.416  14.835  -2.756
  115    HB   ILE  12           HB       ILE  12  38.731  13.455  -0.403
  116   HG12  ILE  12          HG12      ILE  12  40.382  13.713  -2.133
  117   HG13  ILE  12          HG11      ILE  12  39.842  12.025  -2.198
  118   HG21  ILE  12          HG21      ILE  12  36.564  12.587  -2.345
  119   HG22  ILE  12          HG22      ILE  12  36.669  12.345  -0.589
  120   HG23  ILE  12          HG23      ILE  12  37.668  11.360  -1.679
  121   HD11  ILE  12           HD1      ILE  12  39.250  14.295  -4.120
  122   HD12  ILE  12           HD2      ILE  12  38.141  12.910  -4.012
  123   HD13  ILE  12           HD3      ILE  12  39.837  12.654  -4.470
  124    H    GLY  13           HN       GLY  13  37.585  13.966   0.670
  125    HA2  GLY  13           HA1      GLY  13  34.836  14.602   1.148
  126    HA3  GLY  13           HA2      GLY  13  36.088  14.342   2.385
  127    H    GLY  14           HN       GLY  14  37.456  16.409   0.375
  128    HA2  GLY  14           HA1      GLY  14  36.876  18.759   2.099
  129    HA3  GLY  14           HA2      GLY  14  38.112  18.634   0.828
  130    H    ALA  15           HN       ALA  15  36.450  17.619  -1.260
  131    HA   ALA  15           HA       ALA  15  34.961  20.153  -1.907
  132    HB1  ALA  15           HB1      ALA  15  34.917  19.289  -4.191
  133    HB2  ALA  15           HB2      ALA  15  35.620  17.745  -3.655
  134    HB3  ALA  15           HB3      ALA  15  36.583  19.243  -3.574
  135    H    ALA  16           HN       ALA  16  34.181  18.130   0.080
  136    HA   ALA  16           HA       ALA  16  32.161  17.274   0.805
  137    HB1  ALA  16           HB1      ALA  16  30.144  17.811  -0.252
  138    HB2  ALA  16           HB2      ALA  16  30.848  17.731  -1.884
  139    HB3  ALA  16           HB3      ALA  16  31.212  19.113  -0.824
  140    H    LEU  17           HN       LEU  17  34.291  15.737  -0.311
  141    HA   LEU  17           HA       LEU  17  34.623  13.522  -0.947
  142    HB2  LEU  17           HB2      LEU  17  32.327  13.419   0.491
  143    HB3  LEU  17           HB1      LEU  17  31.670  12.898  -1.073
  144    HG   LEU  17           HG       LEU  17  34.076  11.624   0.324
  145   HD11  LEU  17          HD11      LEU  17  31.935  11.266   1.540
  146   HD12  LEU  17          HD12      LEU  17  32.536   9.761   0.803
  147   HD13  LEU  17          HD13      LEU  17  31.198  10.654   0.040
  148   HD21  LEU  17          HD21      LEU  17  33.675   9.817  -1.376
  149   HD22  LEU  17          HD22      LEU  17  34.158  11.362  -2.114
  150   HD23  LEU  17          HD23      LEU  17  32.451  10.854  -2.144
  151    H    ASP  18           HN       ASP  18  34.599  15.468  -2.915
  152    HA   ASP  18           HA       ASP  18  34.434  15.721  -5.214
  153    HB2  ASP  18           HB2      ASP  18  35.613  13.498  -5.082
  154    HB3  ASP  18           HB1      ASP  18  34.027  12.707  -5.241
  155    H    HIS  19           HN       HIS  19  32.024  16.004  -3.645
  156    HA   HIS  19           HA       HIS  19  29.725  16.147  -3.936
  157    HB2  HIS  19           HB2      HIS  19  30.599  16.130  -6.852
  158    HB3  HIS  19           HB1      HIS  19  28.967  16.558  -6.286
  159    HD1  HIS  19           HD1      HIS  19  32.312  17.962  -6.880
  160    HD2  HIS  19           HD2      HIS  19  29.024  18.888  -4.424
  161    HE1  HIS  19           HE1      HIS  19  32.617  20.368  -6.075
  162    H    LEU  20           HN       LEU  20  30.215  13.705  -3.160
  163    HA   LEU  20           HA       LEU  20  28.159  12.144  -4.484
  164    HB2  LEU  20           HB2      LEU  20  30.356  11.907  -5.924
  165    HB3  LEU  20           HB1      LEU  20  30.899  10.843  -4.610
  166    HG   LEU  20           HG       LEU  20  28.332  10.519  -6.236
  167   HD11  LEU  20          HD11      LEU  20  29.454   8.552  -7.181
  168   HD12  LEU  20          HD12      LEU  20  30.884   8.846  -6.161
  169   HD13  LEU  20          HD13      LEU  20  30.457   9.997  -7.451
  170   HD21  LEU  20          HD21      LEU  20  29.499   9.023  -3.855
  171   HD22  LEU  20          HD22      LEU  20  28.423   8.202  -5.011
  172   HD23  LEU  20          HD23      LEU  20  27.837   9.610  -4.099
  Start of MODEL   18
    1    H1   TRP   1           HT1      TRP   1  30.939   3.926   8.637
    2    H2   TRP   1           HT2      TRP   1  30.874   5.533   9.188
    3    H3   TRP   1           HT3      TRP   1  31.896   4.409   9.950
    4    HA   TRP   1           HA       TRP   1  32.258   4.835   7.107
    5    HB2  TRP   1           HB2      TRP   1  33.796   6.796   7.716
    6    HB3  TRP   1           HB1      TRP   1  32.047   7.122   7.745
    7    HD1  TRP   1           HD1      TRP   1  34.793   5.983  10.245
    8    HE1  TRP   1           HE1      TRP   1  34.305   7.044  12.568
    9    HE3  TRP   1           HE3      TRP   1  30.428   8.411   9.122
   10    HZ2  TRP   1           HZ2      TRP   1  32.282   8.717  13.747
   11    HZ3  TRP   1           HZ3      TRP   1  29.236   9.735  10.863
   12    HH2  TRP   1           HH2      TRP   1  30.158   9.891  13.172
   13    H    LEU   2           HN       LEU   2  34.478   4.497   6.531
   14    HA   LEU   2           HA       LEU   2  35.719   2.440   8.178
   15    HB2  LEU   2           HB2      LEU   2  37.041   3.874   5.850
   16    HB3  LEU   2           HB1      LEU   2  37.266   2.195   6.397
   17    HG   LEU   2           HG       LEU   2  34.762   3.373   5.113
   18   HD11  LEU   2          HD11      LEU   2  36.599   2.915   3.535
   19   HD12  LEU   2          HD12      LEU   2  35.294   1.723   3.323
   20   HD13  LEU   2          HD13      LEU   2  36.778   1.272   4.197
   21   HD21  LEU   2          HD21      LEU   2  33.993   1.764   6.717
   22   HD22  LEU   2          HD22      LEU   2  35.344   0.657   6.369
   23   HD23  LEU   2          HD23      LEU   2  34.049   0.890   5.169
   24    H    ARG   3           HN       ARG   3  35.696   5.792   8.327
   25    HA   ARG   3           HA       ARG   3  36.859   7.237   9.706
   26    HB2  ARG   3           HB2      ARG   3  37.154   5.048  11.138
   27    HB3  ARG   3           HB1      ARG   3  38.822   5.070  10.521
   28    HG2  ARG   3           HG2      ARG   3  39.033   7.445  11.336
   29    HG3  ARG   3           HG1      ARG   3  37.424   7.286  12.079
   30    HD2  ARG   3           HD2      ARG   3  38.204   5.443  13.485
   31    HD3  ARG   3           HD1      ARG   3  39.790   5.459  12.678
   32    HE   ARG   3           HE       ARG   3  39.284   8.064  13.743
   33   HH11  ARG   3          HH11      ARG   3  41.845   6.743  14.239
   34   HH12  ARG   3          HH12      ARG   3  41.769   6.333  15.920
   35   HH21  ARG   3          HH21      ARG   3  38.327   6.707  16.126
   36   HH22  ARG   3          HH22      ARG   3  39.776   6.313  16.989
   37    H    ARG   4           HN       ARG   4  38.775   4.947   7.774
   38    HA   ARG   4           HA       ARG   4  41.037   6.762   7.492
   39    HB2  ARG   4           HB2      ARG   4  40.201   4.365   5.806
   40    HB3  ARG   4           HB1      ARG   4  41.791   5.168   5.771
   41    HG2  ARG   4           HG2      ARG   4  42.204   4.569   8.099
   42    HG3  ARG   4           HG1      ARG   4  40.562   3.899   8.255
   43    HD2  ARG   4           HD2      ARG   4  42.132   2.061   7.898
   44    HD3  ARG   4           HD1      ARG   4  41.120   2.244   6.446
   45    HE   ARG   4           HE       ARG   4  43.409   3.823   6.001
   46   HH11  ARG   4          HH11      ARG   4  44.533   2.834   4.204
   47   HH12  ARG   4          HH12      ARG   4  45.040   1.190   4.397
   48   HH21  ARG   4          HH21      ARG   4  43.238   0.698   7.319
   49   HH22  ARG   4          HH22      ARG   4  44.306  -0.020   6.159
   50    H    ILE   5           HN       ILE   5  38.114   5.968   5.638
   51    HA   ILE   5           HA       ILE   5  38.853   7.669   3.377
   52    HB   ILE   5           HB       ILE   5  37.319   5.706   3.149
   53   HG12  ILE   5          HG12      ILE   5  35.974   8.377   2.514
   54   HG13  ILE   5          HG11      ILE   5  37.278   7.650   1.548
   55   HG21  ILE   5          HG21      ILE   5  36.185   6.182   5.407
   56   HG22  ILE   5          HG22      ILE   5  35.105   5.727   4.070
   57   HG23  ILE   5          HG23      ILE   5  35.244   7.432   4.560
   58   HD11  ILE   5           HD1      ILE   5  35.754   5.558   1.386
   59   HD12  ILE   5           HD2      ILE   5  35.273   6.990   0.448
   60   HD13  ILE   5           HD3      ILE   5  34.454   6.618   1.983
   61    H    GLY   6           HN       GLY   6  36.929   7.962   6.342
   62    HA2  GLY   6           HA1      GLY   6  35.648  10.434   5.683
   63    HA3  GLY   6           HA2      GLY   6  35.922   9.801   7.317
   64    H    LYS   7           HN       LYS   7  38.887   9.655   6.726
   65    HA   LYS   7           HA       LYS   7  39.671  12.057   7.961
   66    HB2  LYS   7           HB2      LYS   7  41.031   9.905   7.574
   67    HB3  LYS   7           HB1      LYS   7  41.393  10.551   5.959
   68    HG2  LYS   7           HG2      LYS   7  43.224  11.392   7.150
   69    HG3  LYS   7           HG1      LYS   7  42.088  12.745   7.342
   70    HD2  LYS   7           HD2      LYS   7  41.371  11.782   9.546
   71    HD3  LYS   7           HD1      LYS   7  42.579  10.493   9.346
   72    HE2  LYS   7           HE2      LYS   7  43.544  12.243  10.737
   73    HE3  LYS   7           HE1      LYS   7  44.354  12.271   9.152
   74    HZ1  LYS   7           HZ1      LYS   7  41.964  13.929   9.476
   75    HZ2  LYS   7           HZ2      LYS   7  43.382  14.225   8.589
   76    HZ3  LYS   7           HZ3      LYS   7  43.371  14.441  10.274
   77    H    GLY   8           HN       GLY   8  38.941  11.382   4.602
   78    HA2  GLY   8           HA1      GLY   8  38.597  12.884   2.865
   79    HA3  GLY   8           HA2      GLY   8  38.901  14.222   3.991
   80    H    VAL   9           HN       VAL   9  39.868  13.152   1.158
   81    HA   VAL   9           HA       VAL   9  42.736  12.924   1.459
   82    HB   VAL   9           HB       VAL   9  41.056  13.690  -0.973
   83   HG11  VAL   9          HG11      VAL   9  43.154  12.859  -2.194
   84   HG12  VAL   9          HG12      VAL   9  43.995  12.966  -0.629
   85   HG13  VAL   9          HG13      VAL   9  43.312  14.430  -1.374
   86   HG21  VAL   9          HG21      VAL   9  40.538  11.453  -0.080
   87   HG22  VAL   9          HG22      VAL   9  42.271  11.050  -0.040
   88   HG23  VAL   9          HG23      VAL   9  41.452  11.305  -1.599
   89    H    LYS  10           HN       LYS  10  41.242  15.445  -0.559
   90    HA   LYS  10           HA       LYS  10  42.117  17.660   1.080
   91    HB2  LYS  10           HB2      LYS  10  44.338  16.736   0.295
   92    HB3  LYS  10           HB1      LYS  10  43.833  17.109  -1.370
   93    HG2  LYS  10           HG2      LYS  10  43.552  19.486  -0.768
   94    HG3  LYS  10           HG1      LYS  10  44.020  19.125   0.912
   95    HD2  LYS  10           HD2      LYS  10  46.221  18.264   0.067
   96    HD3  LYS  10           HD1      LYS  10  45.753  18.778  -1.572
   97    HE2  LYS  10           HE2      LYS  10  47.136  20.517  -0.535
   98    HE3  LYS  10           HE1      LYS  10  45.472  21.116  -0.724
   99    HZ1  LYS  10           HZ1      LYS  10  46.893  21.121   1.586
  100    HZ2  LYS  10           HZ2      LYS  10  45.926  19.735   1.764
  101    HZ3  LYS  10           HZ3      LYS  10  45.205  21.246   1.475
  102    H    ILE  11           HN       ILE  11  41.009  16.244  -1.903
  103    HA   ILE  11           HA       ILE  11  39.685  18.859  -2.622
  104    HB   ILE  11           HB       ILE  11  40.704  16.837  -4.660
  105   HG12  ILE  11          HG12      ILE  11  42.041  19.389  -3.643
  106   HG13  ILE  11          HG11      ILE  11  42.639  17.729  -3.417
  107   HG21  ILE  11          HG21      ILE  11  38.826  18.525  -5.188
  108   HG22  ILE  11          HG22      ILE  11  40.243  18.560  -6.260
  109   HG23  ILE  11          HG23      ILE  11  40.055  19.796  -4.992
  110   HD11  ILE  11           HD1      ILE  11  42.579  17.566  -6.018
  111   HD12  ILE  11           HD2      ILE  11  43.874  18.535  -5.276
  112   HD13  ILE  11           HD3      ILE  11  42.456  19.342  -5.984
  113    H    ILE  12           HN       ILE  12  39.747  15.308  -3.088
  114    HA   ILE  12           HA       ILE  12  36.918  15.278  -3.902
  115    HB   ILE  12           HB       ILE  12  38.866  13.060  -3.183
  116   HG12  ILE  12          HG12      ILE  12  37.971  13.721  -6.020
  117   HG13  ILE  12          HG11      ILE  12  39.268  14.677  -5.272
  118   HG21  ILE  12          HG21      ILE  12  36.007  13.054  -4.197
  119   HG22  ILE  12          HG22      ILE  12  36.791  11.969  -3.026
  120   HG23  ILE  12          HG23      ILE  12  37.101  11.771  -4.760
  121   HD11  ILE  12           HD1      ILE  12  39.253  11.648  -5.653
  122   HD12  ILE  12           HD2      ILE  12  40.519  12.561  -4.798
  123   HD13  ILE  12           HD3      ILE  12  40.248  12.827  -6.536
  124    H    GLY  13           HN       GLY  13  38.137  12.845  -1.660
  125    HA2  GLY  13           HA1      GLY  13  35.895  13.028   0.086
  126    HA3  GLY  13           HA2      GLY  13  37.467  12.302   0.492
  127    H    GLY  14           HN       GLY  14  38.329  15.084  -0.623
  128    HA2  GLY  14           HA1      GLY  14  38.689  16.346   2.017
  129    HA3  GLY  14           HA2      GLY  14  39.362  16.889   0.463
  130    H    ALA  15           HN       ALA  15  37.137  17.124  -1.168
  131    HA   ALA  15           HA       ALA  15  35.788  19.461   0.158
  132    HB1  ALA  15           HB1      ALA  15  35.427  18.452  -2.687
  133    HB2  ALA  15           HB2      ALA  15  36.718  19.585  -2.208
  134    HB3  ALA  15           HB3      ALA  15  35.012  20.050  -2.027
  135    H    ALA  16           HN       ALA  16  35.406  16.704   0.993
  136    HA   ALA  16           HA       ALA  16  33.620  15.472   1.782
  137    HB1  ALA  16           HB1      ALA  16  32.456  17.826   1.722
  138    HB2  ALA  16           HB2      ALA  16  31.455  16.360   1.854
  139    HB3  ALA  16           HB3      ALA  16  31.624  17.186   0.286
  140    H    LEU  17           HN       LEU  17  35.069  14.590  -0.364
  141    HA   LEU  17           HA       LEU  17  34.916  13.027  -2.078
  142    HB2  LEU  17           HB2      LEU  17  31.939  12.808  -1.495
  143    HB3  LEU  17           HB1      LEU  17  32.971  11.617  -2.305
  144    HG   LEU  17           HG       LEU  17  33.637  12.479   0.537
  145   HD11  LEU  17          HD11      LEU  17  32.251  10.554   1.347
  146   HD12  LEU  17          HD12      LEU  17  31.570  10.396  -0.290
  147   HD13  LEU  17          HD13      LEU  17  31.274  11.872   0.658
  148   HD21  LEU  17          HD21      LEU  17  33.891   9.778  -0.856
  149   HD22  LEU  17          HD22      LEU  17  34.680  10.303   0.649
  150   HD23  LEU  17          HD23      LEU  17  35.167  11.013  -0.906
  151    H    ASP  18           HN       ASP  18  34.974  15.593  -2.870
  152    HA   ASP  18           HA       ASP  18  34.524  16.950  -4.685
  153    HB2  ASP  18           HB2      ASP  18  34.941  14.746  -5.879
  154    HB3  ASP  18           HB1      ASP  18  33.177  14.528  -5.937
  155    H    HIS  19           HN       HIS  19  31.655  14.820  -5.005
  156    HA   HIS  19           HA       HIS  19  29.885  16.811  -3.799
  157    HB2  HIS  19           HB2      HIS  19  28.575  17.162  -5.940
  158    HB3  HIS  19           HB1      HIS  19  30.166  17.959  -5.900
  159    HD1  HIS  19           HD1      HIS  19  30.034  14.234  -6.382
  160    HD2  HIS  19           HD2      HIS  19  30.295  17.676  -8.785
  161    HE1  HIS  19           HE1      HIS  19  30.751  13.481  -8.715
  162    H    LEU  20           HN       LEU  20  30.630  13.907  -3.709
  163    HA   LEU  20           HA       LEU  20  28.423  12.410  -4.829
  164    HB2  LEU  20           HB2      LEU  20  30.800  11.647  -3.936
  165    HB3  LEU  20           HB1      LEU  20  29.961  11.497  -2.377
  166    HG   LEU  20           HG       LEU  20  29.213  10.110  -4.994
  167   HD11  LEU  20          HD11      LEU  20  30.174   9.014  -2.314
  168   HD12  LEU  20          HD12      LEU  20  31.187   9.191  -3.768
  169   HD13  LEU  20          HD13      LEU  20  29.809   8.063  -3.773
  170   HD21  LEU  20          HD21      LEU  20  27.136  10.549  -3.900
  171   HD22  LEU  20          HD22      LEU  20  27.830  10.263  -2.284
  172   HD23  LEU  20          HD23      LEU  20  27.563   8.899  -3.395
  Start of MODEL   19
    1    H1   TRP   1           HT1      TRP   1  36.415  17.028  15.244
    2    H2   TRP   1           HT2      TRP   1  35.413  17.548  13.975
    3    H3   TRP   1           HT3      TRP   1  36.672  18.545  14.533
    4    HA   TRP   1           HA       TRP   1  37.555  17.699  12.635
    5    HB2  TRP   1           HB2      TRP   1  38.312  15.773  14.868
    6    HB3  TRP   1           HB1      TRP   1  39.230  16.020  13.364
    7    HD1  TRP   1           HD1      TRP   1  40.785  18.074  13.219
    8    HE1  TRP   1           HE1      TRP   1  41.457  20.000  14.831
    9    HE3  TRP   1           HE3      TRP   1  37.276  17.328  16.872
   10    HZ2  TRP   1           HZ2      TRP   1  40.567  21.049  17.361
   11    HZ3  TRP   1           HZ3      TRP   1  37.207  18.802  18.875
   12    HH2  TRP   1           HH2      TRP   1  38.847  20.661  19.124
   13    H    LEU   2           HN       LEU   2  38.124  15.710  11.326
   14    HA   LEU   2           HA       LEU   2  35.678  14.352  10.631
   15    HB2  LEU   2           HB2      LEU   2  38.480  13.451   9.875
   16    HB3  LEU   2           HB1      LEU   2  36.968  13.239   8.961
   17    HG   LEU   2           HG       LEU   2  38.375  15.886   9.535
   18   HD11  LEU   2          HD11      LEU   2  37.923  14.317   6.957
   19   HD12  LEU   2          HD12      LEU   2  39.474  14.485   7.815
   20   HD13  LEU   2          HD13      LEU   2  38.704  15.911   7.078
   21   HD21  LEU   2          HD21      LEU   2  35.717  15.193   8.214
   22   HD22  LEU   2          HD22      LEU   2  36.582  16.703   7.840
   23   HD23  LEU   2          HD23      LEU   2  36.038  16.380   9.500
   24    H    ARG   3           HN       ARG   3  37.800  13.908  13.184
   25    HA   ARG   3           HA       ARG   3  37.918  12.271  14.805
   26    HB2  ARG   3           HB2      ARG   3  35.375  12.100  14.228
   27    HB3  ARG   3           HB1      ARG   3  35.821  10.614  13.359
   28    HG2  ARG   3           HG2      ARG   3  36.939   9.791  15.466
   29    HG3  ARG   3           HG1      ARG   3  36.296  11.220  16.309
   30    HD2  ARG   3           HD2      ARG   3  33.987  10.539  15.685
   31    HD3  ARG   3           HD1      ARG   3  34.642   9.092  14.882
   32    HE   ARG   3           HE       ARG   3  34.720   8.114  17.018
   33   HH11  ARG   3          HH11      ARG   3  33.448  11.032  17.690
   34   HH12  ARG   3          HH12      ARG   3  34.247  11.285  19.205
   35   HH21  ARG   3          HH21      ARG   3  36.455   8.645  18.784
   36   HH22  ARG   3          HH22      ARG   3  35.950   9.935  19.824
   37    H    ARG   4           HN       ARG   4  37.058  10.325  11.897
   38    HA   ARG   4           HA       ARG   4  39.114   8.383  12.447
   39    HB2  ARG   4           HB2      ARG   4  36.970   8.075  11.075
   40    HB3  ARG   4           HB1      ARG   4  37.812   8.913   9.751
   41    HG2  ARG   4           HG2      ARG   4  39.576   7.218   9.736
   42    HG3  ARG   4           HG1      ARG   4  38.865   6.418  11.159
   43    HD2  ARG   4           HD2      ARG   4  36.746   6.085   9.802
   44    HD3  ARG   4           HD1      ARG   4  37.644   6.671   8.381
   45    HE   ARG   4           HE       ARG   4  37.818   4.023   9.452
   46   HH11  ARG   4          HH11      ARG   4  38.915   5.544   6.870
   47   HH12  ARG   4          HH12      ARG   4  40.561   5.006   6.931
   48   HH21  ARG   4          HH21      ARG   4  40.317   3.782  10.167
   49   HH22  ARG   4          HH22      ARG   4  41.354   4.008   8.799
   50    H    ILE   5           HN       ILE   5  39.202  11.528  11.170
   51    HA   ILE   5           HA       ILE   5  40.716  12.644   9.764
   52    HB   ILE   5           HB       ILE   5  43.053  12.551  10.702
   53   HG12  ILE   5          HG12      ILE   5  41.853  10.526  12.652
   54   HG13  ILE   5          HG11      ILE   5  42.918  10.077  11.302
   55   HG21  ILE   5          HG21      ILE   5  41.163  13.961  11.655
   56   HG22  ILE   5          HG22      ILE   5  42.444  13.558  12.817
   57   HG23  ILE   5          HG23      ILE   5  40.898  12.677  12.857
   58   HD11  ILE   5           HD1      ILE   5  43.575  11.728  13.764
   59   HD12  ILE   5           HD2      ILE   5  44.589  11.809  12.303
   60   HD13  ILE   5           HD3      ILE   5  44.382  10.265  13.159
   61    H    GLY   6           HN       GLY   6  39.928  10.533   8.284
   62    HA2  GLY   6           HA1      GLY   6  42.338  10.034   6.687
   63    HA3  GLY   6           HA2      GLY   6  41.656   8.577   7.439
   64    H    LYS   7           HN       LYS   7  38.882   9.628   7.293
   65    HA   LYS   7           HA       LYS   7  38.328   8.655   4.588
   66    HB2  LYS   7           HB2      LYS   7  35.954   9.045   5.217
   67    HB3  LYS   7           HB1      LYS   7  36.830   8.084   6.432
   68    HG2  LYS   7           HG2      LYS   7  37.194  10.146   7.782
   69    HG3  LYS   7           HG1      LYS   7  36.268  11.080   6.583
   70    HD2  LYS   7           HD2      LYS   7  34.335   9.459   6.976
   71    HD3  LYS   7           HD1      LYS   7  35.260   8.821   8.357
   72    HE2  LYS   7           HE2      LYS   7  35.380  11.170   9.273
   73    HE3  LYS   7           HE1      LYS   7  34.287  11.682   7.967
   74    HZ1  LYS   7           HZ1      LYS   7  32.671  10.042   8.766
   75    HZ2  LYS   7           HZ2      LYS   7  33.044  11.191   9.961
   76    HZ3  LYS   7           HZ3      LYS   7  33.706   9.628  10.044
   77    H    GLY   8           HN       GLY   8  39.946  10.980   4.526
   78    HA2  GLY   8           HA1      GLY   8  38.364  12.577   2.691
   79    HA3  GLY   8           HA2      GLY   8  38.674  13.436   4.213
   80    H    VAL   9           HN       VAL   9  39.759  12.986   1.122
   81    HA   VAL   9           HA       VAL   9  42.615  12.879   1.571
   82    HB   VAL   9           HB       VAL   9  41.072  13.940  -0.840
   83   HG11  VAL   9          HG11      VAL   9  43.257  13.295  -2.003
   84   HG12  VAL   9          HG12      VAL   9  43.978  13.148  -0.383
   85   HG13  VAL   9          HG13      VAL   9  43.358  14.718  -0.941
   86   HG21  VAL   9          HG21      VAL   9  42.226  11.193  -0.187
   87   HG22  VAL   9          HG22      VAL   9  41.541  11.667  -1.760
   88   HG23  VAL   9          HG23      VAL   9  40.500  11.606  -0.318
   89    H    LYS  10           HN       LYS  10  41.365  15.590  -0.310
   90    HA   LYS  10           HA       LYS  10  41.740  17.599   1.726
   91    HB2  LYS  10           HB2      LYS  10  44.134  16.817   1.351
   92    HB3  LYS  10           HB1      LYS  10  43.992  17.434  -0.311
   93    HG2  LYS  10           HG2      LYS  10  43.438  19.686   0.575
   94    HG3  LYS  10           HG1      LYS  10  43.597  19.069   2.236
   95    HD2  LYS  10           HD2      LYS  10  45.951  18.545   1.872
   96    HD3  LYS  10           HD1      LYS  10  45.819  18.985   0.152
   97    HE2  LYS  10           HE2      LYS  10  46.826  20.829   1.475
   98    HE3  LYS  10           HE1      LYS  10  45.260  21.312   0.781
   99    HZ1  LYS  10           HZ1      LYS  10  45.354  20.120   3.475
  100    HZ2  LYS  10           HZ2      LYS  10  44.228  21.209   2.815
  101    HZ3  LYS  10           HZ3      LYS  10  45.771  21.752   3.275
  102    H    ILE  11           HN       ILE  11  41.405  16.558  -1.591
  103    HA   ILE  11           HA       ILE  11  40.210  19.247  -2.280
  104    HB   ILE  11           HB       ILE  11  41.670  17.447  -4.250
  105   HG12  ILE  11          HG12      ILE  11  42.734  19.825  -2.654
  106   HG13  ILE  11          HG11      ILE  11  43.284  18.137  -2.527
  107   HG21  ILE  11          HG21      ILE  11  41.107  20.440  -4.376
  108   HG22  ILE  11          HG22      ILE  11  39.955  19.229  -4.988
  109   HG23  ILE  11          HG23      ILE  11  41.578  19.353  -5.704
  110   HD11  ILE  11           HD1      ILE  11  44.888  19.162  -3.946
  111   HD12  ILE  11           HD2      ILE  11  43.649  20.077  -4.833
  112   HD13  ILE  11           HD3      ILE  11  43.800  18.319  -5.074
  113    H    ILE  12           HN       ILE  12  40.358  15.748  -3.047
  114    HA   ILE  12           HA       ILE  12  37.733  15.931  -4.433
  115    HB   ILE  12           HB       ILE  12  39.553  13.560  -3.874
  116   HG12  ILE  12          HG12      ILE  12  39.204  15.146  -6.466
  117   HG13  ILE  12          HG11      ILE  12  40.530  15.421  -5.315
  118   HG21  ILE  12          HG21      ILE  12  37.307  12.776  -4.321
  119   HG22  ILE  12          HG22      ILE  12  38.213  12.567  -5.831
  120   HG23  ILE  12          HG23      ILE  12  37.097  13.940  -5.648
  121   HD11  ILE  12           HD1      ILE  12  41.566  13.929  -6.786
  122   HD12  ILE  12           HD2      ILE  12  40.057  13.073  -7.160
  123   HD13  ILE  12           HD3      ILE  12  40.891  12.771  -5.617
  124    H    GLY  13           HN       GLY  13  38.633  13.090  -2.537
  125    HA2  GLY  13           HA1      GLY  13  36.117  12.985  -1.181
  126    HA3  GLY  13           HA2      GLY  13  37.600  12.130  -0.696
  127    H    GLY  14           HN       GLY  14  38.638  15.057  -1.072
  128    HA2  GLY  14           HA1      GLY  14  38.573  15.744   1.796
  129    HA3  GLY  14           HA2      GLY  14  39.504  16.550   0.515
  130    H    ALA  15           HN       ALA  15  37.583  17.188  -1.380
  131    HA   ALA  15           HA       ALA  15  36.129  19.336   0.112
  132    HB1  ALA  15           HB1      ALA  15  36.080  18.714  -2.862
  133    HB2  ALA  15           HB2      ALA  15  37.299  19.759  -2.085
  134    HB3  ALA  15           HB3      ALA  15  35.581  20.219  -2.058
  135    H    ALA  16           HN       ALA  16  35.566  16.459   0.439
  136    HA   ALA  16           HA       ALA  16  33.644  15.263   0.903
  137    HB1  ALA  16           HB1      ALA  16  31.527  16.247   0.867
  138    HB2  ALA  16           HB2      ALA  16  31.878  17.216  -0.585
  139    HB3  ALA  16           HB3      ALA  16  32.580  17.675   0.985
  140    H    LEU  17           HN       LEU  17  35.352  14.780  -1.313
  141    HA   LEU  17           HA       LEU  17  35.332  13.579  -3.313
  142    HB2  LEU  17           HB2      LEU  17  33.775  12.188  -1.728
  143    HB3  LEU  17           HB1      LEU  17  32.455  12.814  -2.736
  144    HG   LEU  17           HG       LEU  17  34.026  11.965  -4.750
  145   HD11  LEU  17          HD11      LEU  17  35.873  11.305  -3.139
  146   HD12  LEU  17          HD12      LEU  17  35.318   9.986  -4.192
  147   HD13  LEU  17          HD13      LEU  17  34.785  10.054  -2.497
  148   HD21  LEU  17          HD21      LEU  17  32.844   9.774  -4.670
  149   HD22  LEU  17          HD22      LEU  17  31.751  11.124  -4.284
  150   HD23  LEU  17          HD23      LEU  17  32.386  10.092  -2.981
  151    H    ASP  18           HN       ASP  18  34.217  16.392  -3.141
  152    HA   ASP  18           HA       ASP  18  33.283  17.929  -4.600
  153    HB2  ASP  18           HB2      ASP  18  33.616  15.763  -6.708
  154    HB3  ASP  18           HB1      ASP  18  33.531  17.522  -6.968
  155    H    HIS  19           HN       HIS  19  31.650  15.441  -3.464
  156    HA   HIS  19           HA       HIS  19  29.098  16.443  -4.371
  157    HB2  HIS  19           HB2      HIS  19  29.707  15.194  -6.423
  158    HB3  HIS  19           HB1      HIS  19  29.924  13.718  -5.452
  159    HD1  HIS  19           HD1      HIS  19  27.915  12.258  -5.271
  160    HD2  HIS  19           HD2      HIS  19  26.878  16.278  -5.934
  161    HE1  HIS  19           HE1      HIS  19  25.375  12.358  -5.521
  162    H    LEU  20           HN       LEU  20  30.873  13.599  -3.137
  163    HA   LEU  20           HA       LEU  20  30.553  12.377  -1.198
  164    HB2  LEU  20           HB2      LEU  20  30.023  14.839  -0.343
  165    HB3  LEU  20           HB1      LEU  20  28.353  14.238  -0.255
  166    HG   LEU  20           HG       LEU  20  30.800  13.063   1.141
  167   HD11  LEU  20          HD11      LEU  20  29.792  15.142   2.121
  168   HD12  LEU  20          HD12      LEU  20  29.631  13.725   3.187
  169   HD13  LEU  20          HD13      LEU  20  28.234  14.291   2.240
  170   HD21  LEU  20          HD21      LEU  20  28.979  11.571   2.217
  171   HD22  LEU  20          HD22      LEU  20  29.443  11.182   0.546
  172   HD23  LEU  20          HD23      LEU  20  27.933  12.069   0.867
  Start of MODEL   20
    1    H1   TRP   1           HT1      TRP   1  41.828   2.614  13.149
    2    H2   TRP   1           HT2      TRP   1  42.913   3.101  11.935
    3    H3   TRP   1           HT3      TRP   1  41.861   1.793  11.666
    4    HA   TRP   1           HA       TRP   1  41.098   3.732  10.517
    5    HB2  TRP   1           HB2      TRP   1  38.813   3.831  11.561
    6    HB3  TRP   1           HB1      TRP   1  39.408   2.174  11.294
    7    HD1  TRP   1           HD1      TRP   1  38.442   4.620  14.009
    8    HE1  TRP   1           HE1      TRP   1  38.523   3.461  16.336
    9    HE3  TRP   1           HE3      TRP   1  40.709   0.236  12.649
   10    HZ2  TRP   1           HZ2      TRP   1  39.454   0.963  17.426
   11    HZ3  TRP   1           HZ3      TRP   1  41.184  -1.521  14.349
   12    HH2  TRP   1           HH2      TRP   1  40.560  -1.161  16.734
   13    H    LEU   2           HN       LEU   2  40.962   5.899  10.405
   14    HA   LEU   2           HA       LEU   2  42.071   7.473  12.557
   15    HB2  LEU   2           HB2      LEU   2  40.443   8.540  10.229
   16    HB3  LEU   2           HB1      LEU   2  41.746   9.354  11.126
   17    HG   LEU   2           HG       LEU   2  42.037   6.917   9.314
   18   HD11  LEU   2          HD11      LEU   2  43.413   8.481   7.950
   19   HD12  LEU   2          HD12      LEU   2  43.023   9.796   9.085
   20   HD13  LEU   2          HD13      LEU   2  41.734   9.050   8.111
   21   HD21  LEU   2          HD21      LEU   2  43.649   6.613  11.045
   22   HD22  LEU   2          HD22      LEU   2  43.979   8.358  11.167
   23   HD23  LEU   2          HD23      LEU   2  44.550   7.438   9.755
   24    H    ARG   3           HN       ARG   3  38.897   7.969  11.001
   25    HA   ARG   3           HA       ARG   3  37.579   8.048  13.680
   26    HB2  ARG   3           HB2      ARG   3  37.658  10.350  11.685
   27    HB3  ARG   3           HB1      ARG   3  36.439  10.213  12.976
   28    HG2  ARG   3           HG2      ARG   3  38.257  10.130  14.671
   29    HG3  ARG   3           HG1      ARG   3  39.462  10.310  13.375
   30    HD2  ARG   3           HD2      ARG   3  39.021  12.498  14.392
   31    HD3  ARG   3           HD1      ARG   3  38.399  12.477  12.726
   32    HE   ARG   3           HE       ARG   3  36.333  11.692  14.586
   33   HH11  ARG   3          HH11      ARG   3  34.551  13.135  14.289
   34   HH12  ARG   3          HH12      ARG   3  34.884  14.832  14.217
   35   HH21  ARG   3          HH21      ARG   3  38.326  14.420  14.112
   36   HH22  ARG   3          HH22      ARG   3  37.022  15.562  14.118
   37    H    ARG   4           HN       ARG   4  37.730   7.433  10.349
   38    HA   ARG   4           HA       ARG   4  35.294   5.917  10.349
   39    HB2  ARG   4           HB2      ARG   4  34.514   8.430  10.206
   40    HB3  ARG   4           HB1      ARG   4  35.100   8.346   8.530
   41    HG2  ARG   4           HG2      ARG   4  33.633   6.340   8.161
   42    HG3  ARG   4           HG1      ARG   4  33.004   6.533   9.814
   43    HD2  ARG   4           HD2      ARG   4  31.503   7.589   8.141
   44    HD3  ARG   4           HD1      ARG   4  32.191   8.797   9.254
   45    HE   ARG   4           HE       ARG   4  33.959   8.761   7.102
   46   HH11  ARG   4          HH11      ARG   4  30.909   8.097   6.198
   47   HH12  ARG   4          HH12      ARG   4  30.562   9.611   5.432
   48   HH21  ARG   4          HH21      ARG   4  33.379  11.195   6.692
   49   HH22  ARG   4          HH22      ARG   4  31.961  11.366   5.711
   50    H    ILE   5           HN       ILE   5  38.264   6.167   9.588
   51    HA   ILE   5           HA       ILE   5  39.626   5.300   7.929
   52    HB   ILE   5           HB       ILE   5  37.135   4.110   6.633
   53   HG12  ILE   5          HG12      ILE   5  38.758   3.104   9.017
   54   HG13  ILE   5          HG11      ILE   5  37.049   3.595   9.031
   55   HG21  ILE   5          HG21      ILE   5  38.650   2.463   5.777
   56   HG22  ILE   5          HG22      ILE   5  39.955   2.982   6.872
   57   HG23  ILE   5          HG23      ILE   5  39.457   4.027   5.519
   58   HD11  ILE   5           HD1      ILE   5  36.966   1.227   8.885
   59   HD12  ILE   5           HD2      ILE   5  38.308   1.163   7.719
   60   HD13  ILE   5           HD3      ILE   5  36.711   1.766   7.208
   61    H    GLY   6           HN       GLY   6  40.275   7.203   6.986
   62    HA2  GLY   6           HA1      GLY   6  40.578   8.587   5.148
   63    HA3  GLY   6           HA2      GLY   6  39.398   7.609   4.253
   64    H    LYS   7           HN       LYS   7  39.286   9.684   7.185
   65    HA   LYS   7           HA       LYS   7  36.656  10.587   6.897
   66    HB2  LYS   7           HB2      LYS   7  37.345  12.564   8.200
   67    HB3  LYS   7           HB1      LYS   7  38.082  11.080   8.853
   68    HG2  LYS   7           HG2      LYS   7  40.128  11.607   7.408
   69    HG3  LYS   7           HG1      LYS   7  39.396  13.201   7.106
   70    HD2  LYS   7           HD2      LYS   7  40.018  12.052   9.865
   71    HD3  LYS   7           HD1      LYS   7  41.015  13.251   9.009
   72    HE2  LYS   7           HE2      LYS   7  38.820  14.667   8.877
   73    HE3  LYS   7           HE1      LYS   7  38.220  13.574  10.149
   74    HZ1  LYS   7           HZ1      LYS   7  39.239  15.481  11.150
   75    HZ2  LYS   7           HZ2      LYS   7  40.670  15.262  10.258
   76    HZ3  LYS   7           HZ3      LYS   7  40.224  14.132  11.447
   77    H    GLY   8           HN       GLY   8  39.447  11.362   4.977
   78    HA2  GLY   8           HA1      GLY   8  37.968  12.555   2.898
   79    HA3  GLY   8           HA2      GLY   8  38.536  13.881   3.932
   80    H    VAL   9           HN       VAL   9  39.778  14.641   2.131
   81    HA   VAL   9           HA       VAL   9  42.445  13.308   2.024
   82    HB   VAL   9           HB       VAL   9  40.830  14.006  -0.476
   83   HG11  VAL   9          HG11      VAL   9  43.142  14.579  -0.865
   84   HG12  VAL   9          HG12      VAL   9  42.888  12.983  -1.608
   85   HG13  VAL   9          HG13      VAL   9  43.710  13.111  -0.034
   86   HG21  VAL   9          HG21      VAL   9  41.814  11.373   0.712
   87   HG22  VAL   9          HG22      VAL   9  41.157  11.539  -0.934
   88   HG23  VAL   9          HG23      VAL   9  40.123  11.875   0.472
   89    H    LYS  10           HN       LYS  10  41.122  15.756  -0.191
   90    HA   LYS  10           HA       LYS  10  42.057  18.032   1.323
   91    HB2  LYS  10           HB2      LYS  10  44.255  16.942   0.681
   92    HB3  LYS  10           HB1      LYS  10  43.825  17.241  -1.021
   93    HG2  LYS  10           HG2      LYS  10  43.639  19.666  -0.555
   94    HG3  LYS  10           HG1      LYS  10  44.060  19.372   1.150
   95    HD2  LYS  10           HD2      LYS  10  46.251  18.490   0.494
   96    HD3  LYS  10           HD1      LYS  10  45.832  18.659  -1.228
   97    HE2  LYS  10           HE2      LYS  10  45.531  21.129  -0.855
   98    HE3  LYS  10           HE1      LYS  10  46.117  20.908   0.811
   99    HZ1  LYS  10           HZ1      LYS  10  48.167  21.053   0.018
  100    HZ2  LYS  10           HZ2      LYS  10  47.608  21.129  -1.584
  101    HZ3  LYS  10           HZ3      LYS  10  47.927  19.624  -0.862
  102    H    ILE  11           HN       ILE  11  40.977  16.469  -1.599
  103    HA   ILE  11           HA       ILE  11  39.698  19.045  -2.465
  104    HB   ILE  11           HB       ILE  11  41.004  17.128  -4.438
  105   HG12  ILE  11          HG12      ILE  11  42.120  19.717  -3.259
  106   HG13  ILE  11          HG11      ILE  11  42.768  18.082  -2.989
  107   HG21  ILE  11          HG21      ILE  11  40.249  20.062  -4.765
  108   HG22  ILE  11          HG22      ILE  11  39.104  18.741  -5.102
  109   HG23  ILE  11          HG23      ILE  11  40.611  18.870  -6.036
  110   HD11  ILE  11           HD1      ILE  11  44.141  18.971  -4.709
  111   HD12  ILE  11           HD2      ILE  11  42.762  19.717  -5.549
  112   HD13  ILE  11           HD3      ILE  11  42.974  17.948  -5.581
  113    H    ILE  12           HN       ILE  12  39.969  15.506  -2.839
  114    HA   ILE  12           HA       ILE  12  37.228  15.341  -3.951
  115    HB   ILE  12           HB       ILE  12  39.214  13.193  -3.126
  116   HG12  ILE  12          HG12      ILE  12  38.554  14.216  -5.930
  117   HG13  ILE  12          HG11      ILE  12  39.946  14.784  -4.984
  118   HG21  ILE  12          HG21      ILE  12  37.784  11.762  -4.681
  119   HG22  ILE  12          HG22      ILE  12  36.622  13.106  -4.739
  120   HG23  ILE  12          HG23      ILE  12  36.961  12.284  -3.201
  121   HD11  ILE  12           HD1      ILE  12  40.940  13.080  -6.248
  122   HD12  ILE  12           HD2      ILE  12  39.477  12.075  -6.251
  123   HD13  ILE  12           HD3      ILE  12  40.488  12.171  -4.790
  124    H    GLY  13           HN       GLY  13  38.479  12.988  -1.617
  125    HA2  GLY  13           HA1      GLY  13  36.085  13.026  -0.032
  126    HA3  GLY  13           HA2      GLY  13  37.658  12.353   0.459
  127    H    GLY  14           HN       GLY  14  38.455  15.184  -0.600
  128    HA2  GLY  14           HA1      GLY  14  38.640  16.438   2.063
  129    HA3  GLY  14           HA2      GLY  14  39.365  17.019   0.546
  130    H    ALA  15           HN       ALA  15  37.206  17.150  -1.184
  131    HA   ALA  15           HA       ALA  15  35.741  19.464   0.019
  132    HB1  ALA  15           HB1      ALA  15  35.482  18.230  -2.752
  133    HB2  ALA  15           HB2      ALA  15  36.612  19.545  -2.333
  134    HB3  ALA  15           HB3      ALA  15  34.857  19.805  -2.214
  135    H    ALA  16           HN       ALA  16  35.491  16.657   0.935
  136    HA   ALA  16           HA       ALA  16  33.769  15.407   1.822
  137    HB1  ALA  16           HB1      ALA  16  31.666  17.008   0.350
  138    HB2  ALA  16           HB2      ALA  16  32.527  17.727   1.730
  139    HB3  ALA  16           HB3      ALA  16  31.585  16.233   1.950
  140    H    LEU  17           HN       LEU  17  35.196  14.636  -0.467
  141    HA   LEU  17           HA       LEU  17  34.994  12.980  -2.100
  142    HB2  LEU  17           HB2      LEU  17  33.103  12.244  -0.314
  143    HB3  LEU  17           HB1      LEU  17  32.024  12.629  -1.661
  144    HG   LEU  17           HG       LEU  17  32.560  10.264  -1.733
  145   HD11  LEU  17          HD11      LEU  17  33.518  10.072  -3.991
  146   HD12  LEU  17          HD12      LEU  17  34.130  11.737  -3.893
  147   HD13  LEU  17          HD13      LEU  17  32.377  11.430  -3.901
  148   HD21  LEU  17          HD21      LEU  17  34.924  10.776  -0.532
  149   HD22  LEU  17          HD22      LEU  17  35.513  10.722  -2.209
  150   HD23  LEU  17          HD23      LEU  17  34.679   9.317  -1.517
  151    H    ASP  18           HN       ASP  18  35.036  15.507  -2.956
  152    HA   ASP  18           HA       ASP  18  34.517  16.842  -4.769
  153    HB2  ASP  18           HB2      ASP  18  34.769  14.613  -5.963
  154    HB3  ASP  18           HB1      ASP  18  32.999  14.459  -5.892
  155    H    HIS  19           HN       HIS  19  31.564  14.809  -4.843
  156    HA   HIS  19           HA       HIS  19  29.958  16.892  -3.552
  157    HB2  HIS  19           HB2      HIS  19  28.517  17.334  -5.512
  158    HB3  HIS  19           HB1      HIS  19  30.188  17.873  -5.803
  159    HD1  HIS  19           HD1      HIS  19  30.743  14.473  -6.035
  160    HD2  HIS  19           HD2      HIS  19  28.514  17.068  -8.481
  161    HE1  HIS  19           HE1      HIS  19  30.571  13.386  -8.340
  162    H    LEU  20           HN       LEU  20  30.324  14.358  -2.721
  163    HA   LEU  20           HA       LEU  20  29.230  12.375  -2.239
  164    HB2  LEU  20           HB2      LEU  20  27.542  14.331  -1.632
  165    HB3  LEU  20           HB1      LEU  20  26.598  13.680  -2.989
  166    HG   LEU  20           HG       LEU  20  27.521  12.160  -0.507
  167   HD11  LEU  20          HD11      LEU  20  24.764  12.946  -1.553
  168   HD12  LEU  20          HD12      LEU  20  25.594  13.660  -0.150
  169   HD13  LEU  20          HD13      LEU  20  25.074  11.958  -0.106
  170   HD21  LEU  20          HD21      LEU  20  27.620  10.573  -2.291
  171   HD22  LEU  20          HD22      LEU  20  26.173  11.246  -3.081
  172   HD23  LEU  20          HD23      LEU  20  26.017  10.331  -1.563
  Start of MODEL   21
    1    H1   TRP   1           HT1      TRP   1  41.716  10.674   7.880
    2    H2   TRP   1           HT2      TRP   1  42.076  12.331   7.769
    3    H3   TRP   1           HT3      TRP   1  40.780  11.802   8.732
    4    HA   TRP   1           HA       TRP   1  42.130  10.912  10.338
    5    HB2  TRP   1           HB2      TRP   1  44.628  11.381   8.677
    6    HB3  TRP   1           HB1      TRP   1  44.366  10.252  10.032
    7    HD1  TRP   1           HD1      TRP   1  41.818   8.745   9.122
    8    HE1  TRP   1           HE1      TRP   1  41.831   7.144   7.073
    9    HE3  TRP   1           HE3      TRP   1  45.915  10.598   6.675
   10    HZ2  TRP   1           HZ2      TRP   1  43.422   6.750   4.706
   11    HZ3  TRP   1           HZ3      TRP   1  46.662   9.594   4.523
   12    HH2  TRP   1           HH2      TRP   1  45.421   7.674   3.536
   13    H    LEU   2           HN       LEU   2  44.404  11.989  11.283
   14    HA   LEU   2           HA       LEU   2  44.165  14.960  10.914
   15    HB2  LEU   2           HB2      LEU   2  44.375  13.557  13.592
   16    HB3  LEU   2           HB1      LEU   2  44.320  15.312  13.289
   17    HG   LEU   2           HG       LEU   2  42.085  13.410  12.449
   18   HD11  LEU   2          HD11      LEU   2  42.279  15.102  14.980
   19   HD12  LEU   2          HD12      LEU   2  42.414  13.328  14.916
   20   HD13  LEU   2          HD13      LEU   2  40.881  14.121  14.478
   21   HD21  LEU   2          HD21      LEU   2  40.781  15.642  12.612
   22   HD22  LEU   2          HD22      LEU   2  41.916  15.484  11.256
   23   HD23  LEU   2          HD23      LEU   2  42.370  16.438  12.687
   24    H    ARG   3           HN       ARG   3  46.013  12.203  10.892
   25    HA   ARG   3           HA       ARG   3  48.406  12.793  12.208
   26    HB2  ARG   3           HB2      ARG   3  47.892  10.765  10.756
   27    HB3  ARG   3           HB1      ARG   3  48.279  11.776   9.343
   28    HG2  ARG   3           HG2      ARG   3  50.538  12.181  10.200
   29    HG3  ARG   3           HG1      ARG   3  50.162  11.284  11.692
   30    HD2  ARG   3           HD2      ARG   3  49.669   9.259  10.248
   31    HD3  ARG   3           HD1      ARG   3  50.297  10.174   8.857
   32    HE   ARG   3           HE       ARG   3  51.910   8.873  10.850
   33   HH11  ARG   3          HH11      ARG   3  53.223  10.953  11.846
   34   HH12  ARG   3          HH12      ARG   3  54.212  11.647  10.606
   35   HH21  ARG   3          HH21      ARG   3  52.489  10.121   8.012
   36   HH22  ARG   3          HH22      ARG   3  53.796  11.177   8.434
   37    H    ARG   4           HN       ARG   4  46.823  14.526   9.729
   38    HA   ARG   4           HA       ARG   4  49.159  16.396   9.474
   39    HB2  ARG   4           HB2      ARG   4  47.269  15.471   7.270
   40    HB3  ARG   4           HB1      ARG   4  48.457  16.786   7.116
   41    HG2  ARG   4           HG2      ARG   4  50.301  15.255   7.514
   42    HG3  ARG   4           HG1      ARG   4  49.176  13.931   7.900
   43    HD2  ARG   4           HD2      ARG   4  50.047  13.743   5.577
   44    HD3  ARG   4           HD1      ARG   4  48.285  13.993   5.601
   45    HE   ARG   4           HE       ARG   4  48.630  16.088   4.558
   46   HH11  ARG   4          HH11      ARG   4  49.964  17.593   3.518
   47   HH12  ARG   4          HH12      ARG   4  51.655  17.630   3.889
   48   HH21  ARG   4          HH21      ARG   4  51.502  14.951   6.086
   49   HH22  ARG   4          HH22      ARG   4  52.527  16.133   5.343
   50    H    ILE   5           HN       ILE   5  45.966  15.854  10.475
   51    HA   ILE   5           HA       ILE   5  44.275  17.317  11.073
   52    HB   ILE   5           HB       ILE   5  46.264  19.599  10.727
   53   HG12  ILE   5          HG12      ILE   5  45.930  17.668  13.071
   54   HG13  ILE   5          HG11      ILE   5  47.354  17.790  12.009
   55   HG21  ILE   5          HG21      ILE   5  44.926  20.709  12.374
   56   HG22  ILE   5          HG22      ILE   5  44.069  19.207  12.802
   57   HG23  ILE   5          HG23      ILE   5  43.767  19.991  11.233
   58   HD11  ILE   5           HD1      ILE   5  47.947  19.070  13.920
   59   HD12  ILE   5           HD2      ILE   5  46.330  19.801  14.043
   60   HD13  ILE   5           HD3      ILE   5  47.434  20.292  12.733
   61    H    GLY   6           HN       GLY   6  43.044  16.936   9.214
   62    HA2  GLY   6           HA1      GLY   6  42.268  19.210   7.749
   63    HA3  GLY   6           HA2      GLY   6  43.462  18.358   6.749
   64    H    LYS   7           HN       LYS   7  42.818  15.706   7.630
   65    HA   LYS   7           HA       LYS   7  41.412  13.977   7.007
   66    HB2  LYS   7           HB2      LYS   7  39.945  15.181   8.708
   67    HB3  LYS   7           HB1      LYS   7  39.129  15.958   7.331
   68    HG2  LYS   7           HG2      LYS   7  38.516  13.763   6.412
   69    HG3  LYS   7           HG1      LYS   7  39.396  12.946   7.727
   70    HD2  LYS   7           HD2      LYS   7  37.890  14.090   9.381
   71    HD3  LYS   7           HD1      LYS   7  36.959  14.755   8.017
   72    HE2  LYS   7           HE2      LYS   7  36.600  12.386   7.205
   73    HE3  LYS   7           HE1      LYS   7  37.355  11.814   8.712
   74    HZ1  LYS   7           HZ1      LYS   7  35.058  13.693   8.706
   75    HZ2  LYS   7           HZ2      LYS   7  35.650  12.754   9.994
   76    HZ3  LYS   7           HZ3      LYS   7  34.846  12.010   8.695
   77    H    GLY   8           HN       GLY   8  40.239  13.085   5.258
   78    HA2  GLY   8           HA1      GLY   8  39.484  12.988   3.068
   79    HA3  GLY   8           HA2      GLY   8  39.212  14.740   3.125
   80    H    VAL   9           HN       VAL   9  40.047  13.700   0.789
   81    HA   VAL   9           HA       VAL   9  42.957  13.677   0.585
   82    HB   VAL   9           HB       VAL   9  41.083  14.169  -1.764
   83   HG11  VAL   9          HG11      VAL   9  43.502  14.107  -2.227
   84   HG12  VAL   9          HG12      VAL   9  42.727  12.652  -2.890
   85   HG13  VAL   9          HG13      VAL   9  43.650  12.556  -1.371
   86   HG21  VAL   9          HG21      VAL   9  39.968  12.419  -0.516
   87   HG22  VAL   9          HG22      VAL   9  41.508  11.579  -0.216
   88   HG23  VAL   9          HG23      VAL   9  40.837  11.646  -1.862
   89    H    LYS  10           HN       LYS  10  41.122  16.088   1.537
   90    HA   LYS  10           HA       LYS  10  41.390  18.383   1.588
   91    HB2  LYS  10           HB2      LYS  10  43.893  18.045  -0.101
   92    HB3  LYS  10           HB1      LYS  10  43.477  19.384   0.987
   93    HG2  LYS  10           HG2      LYS  10  43.721  18.004   2.943
   94    HG3  LYS  10           HG1      LYS  10  43.825  16.520   1.968
   95    HD2  LYS  10           HD2      LYS  10  45.921  17.347   0.937
   96    HD3  LYS  10           HD1      LYS  10  45.834  18.809   1.948
   97    HE2  LYS  10           HE2      LYS  10  47.323  17.284   3.074
   98    HE3  LYS  10           HE1      LYS  10  45.791  17.263   3.980
   99    HZ1  LYS  10           HZ1      LYS  10  45.198  15.217   3.057
  100    HZ2  LYS  10           HZ2      LYS  10  46.852  15.037   3.403
  101    HZ3  LYS  10           HZ3      LYS  10  46.342  15.324   1.808
  102    H    ILE  11           HN       ILE  11  41.179  16.638  -1.346
  103    HA   ILE  11           HA       ILE  11  40.206  19.117  -2.766
  104    HB   ILE  11           HB       ILE  11  41.556  16.757  -4.129
  105   HG12  ILE  11          HG12      ILE  11  42.757  19.392  -3.160
  106   HG13  ILE  11          HG11      ILE  11  43.203  17.756  -2.622
  107   HG21  ILE  11          HG21      ILE  11  41.206  19.634  -5.075
  108   HG22  ILE  11          HG22      ILE  11  39.987  18.376  -5.382
  109   HG23  ILE  11          HG23      ILE  11  41.627  18.203  -6.045
  110   HD11  ILE  11           HD1      ILE  11  43.754  17.295  -5.126
  111   HD12  ILE  11           HD2      ILE  11  44.880  18.320  -4.207
  112   HD13  ILE  11           HD3      ILE  11  43.705  19.064  -5.316
  113    H    ILE  12           HN       ILE  12  40.095  15.545  -2.527
  114    HA   ILE  12           HA       ILE  12  37.477  15.534  -3.965
  115    HB   ILE  12           HB       ILE  12  39.175  13.260  -2.871
  116   HG12  ILE  12          HG12      ILE  12  38.874  14.250  -5.747
  117   HG13  ILE  12          HG11      ILE  12  40.249  14.648  -4.695
  118   HG21  ILE  12          HG21      ILE  12  36.730  13.345  -4.703
  119   HG22  ILE  12          HG22      ILE  12  36.858  12.553  -3.116
  120   HG23  ILE  12          HG23      ILE  12  37.749  11.902  -4.504
  121   HD11  ILE  12           HD1      ILE  12  40.370  11.969  -4.425
  122   HD12  ILE  12           HD2      ILE  12  41.123  12.790  -5.810
  123   HD13  ILE  12           HD3      ILE  12  39.536  12.014  -5.997
  124    H    GLY  13           HN       GLY  13  38.247  13.166  -1.464
  125    HA2  GLY  13           HA1      GLY  13  35.759  13.535  -0.106
  126    HA3  GLY  13           HA2      GLY  13  37.199  12.725   0.557
  127    H    GLY  14           HN       GLY  14  38.406  15.414  -0.484
  128    HA2  GLY  14           HA1      GLY  14  38.416  16.749   2.150
  129    HA3  GLY  14           HA2      GLY  14  39.391  17.169   0.723
  130    H    ALA  15           HN       ALA  15  37.506  17.464  -1.282
  131    HA   ALA  15           HA       ALA  15  36.214  19.999  -0.371
  132    HB1  ALA  15           HB1      ALA  15  35.686  20.343  -2.695
  133    HB2  ALA  15           HB2      ALA  15  36.071  18.654  -3.092
  134    HB3  ALA  15           HB3      ALA  15  37.368  19.774  -2.606
  135    H    ALA  16           HN       ALA  16  35.459  17.351   0.679
  136    HA   ALA  16           HA       ALA  16  33.472  16.442   1.425
  137    HB1  ALA  16           HB1      ALA  16  31.423  17.531   1.142
  138    HB2  ALA  16           HB2      ALA  16  31.818  18.084  -0.503
  139    HB3  ALA  16           HB3      ALA  16  32.575  18.866   0.905
  140    H    LEU  17           HN       LEU  17  35.104  15.318  -0.623
  141    HA   LEU  17           HA       LEU  17  34.969  13.723  -2.321
  142    HB2  LEU  17           HB2      LEU  17  33.351  12.912  -0.286
  143    HB3  LEU  17           HB1      LEU  17  32.143  12.982  -1.586
  144    HG   LEU  17           HG       LEU  17  34.788  11.451  -1.728
  145   HD11  LEU  17          HD11      LEU  17  31.930  10.447  -1.378
  146   HD12  LEU  17          HD12      LEU  17  33.161  10.500  -0.095
  147   HD13  LEU  17          HD13      LEU  17  33.391   9.441  -1.508
  148   HD21  LEU  17          HD21      LEU  17  33.717  10.437  -3.754
  149   HD22  LEU  17          HD22      LEU  17  33.997  12.184  -3.937
  150   HD23  LEU  17          HD23      LEU  17  32.361  11.575  -3.578
  151    H    ASP  18           HN       ASP  18  34.282  16.357  -3.086
  152    HA   ASP  18           HA       ASP  18  33.270  17.508  -4.824
  153    HB2  ASP  18           HB2      ASP  18  34.404  15.796  -6.172
  154    HB3  ASP  18           HB1      ASP  18  33.017  14.699  -5.976
  155    H    HIS  19           HN       HIS  19  31.328  14.565  -5.320
  156    HA   HIS  19           HA       HIS  19  28.868  15.909  -5.556
  157    HB2  HIS  19           HB2      HIS  19  29.230  13.123  -4.392
  158    HB3  HIS  19           HB1      HIS  19  27.822  13.755  -5.280
  159    HD1  HIS  19           HD1      HIS  19  30.753  11.741  -5.790
  160    HD2  HIS  19           HD2      HIS  19  28.825  14.720  -8.049
  161    HE1  HIS  19           HE1      HIS  19  31.504  11.463  -8.217
  162    H    LEU  20           HN       LEU  20  29.851  13.953  -2.697
  163    HA   LEU  20           HA       LEU  20  29.166  16.012  -0.810
  164    HB2  LEU  20           HB2      LEU  20  26.868  15.665  -1.455
  165    HB3  LEU  20           HB1      LEU  20  27.052  13.899  -1.384
  166    HG   LEU  20           HG       LEU  20  27.271  13.940   1.029
  167   HD11  LEU  20          HD11      LEU  20  28.609  15.865   1.473
  168   HD12  LEU  20          HD12      LEU  20  27.035  16.239   2.210
  169   HD13  LEU  20          HD13      LEU  20  27.473  16.952   0.639
  170   HD21  LEU  20          HD21      LEU  20  24.968  14.169   0.001
  171   HD22  LEU  20          HD22      LEU  20  25.082  15.923   0.276
  172   HD23  LEU  20          HD23      LEU  20  25.090  14.803   1.659
  Start of MODEL   22
    1    H1   TRP   1           HT1      TRP   1  33.887   5.773  12.938
    2    H2   TRP   1           HT2      TRP   1  35.321   5.179  12.245
    3    H3   TRP   1           HT3      TRP   1  34.197   6.024  11.290
    4    HA   TRP   1           HA       TRP   1  34.802   8.026  12.030
    5    HB2  TRP   1           HB2      TRP   1  35.826   6.724  14.584
    6    HB3  TRP   1           HB1      TRP   1  35.634   8.465  14.270
    7    HD1  TRP   1           HD1      TRP   1  33.190   9.460  14.268
    8    HE1  TRP   1           HE1      TRP   1  30.907   8.592  15.162
    9    HE3  TRP   1           HE3      TRP   1  34.409   4.533  14.941
   10    HZ2  TRP   1           HZ2      TRP   1  29.793   6.085  16.042
   11    HZ3  TRP   1           HZ3      TRP   1  32.721   2.921  15.808
   12    HH2  TRP   1           HH2      TRP   1  30.416   3.693  16.359
   13    H    LEU   2           HN       LEU   2  37.030   9.076  12.738
   14    HA   LEU   2           HA       LEU   2  39.387   7.462  12.320
   15    HB2  LEU   2           HB2      LEU   2  38.656   7.386  10.007
   16    HB3  LEU   2           HB1      LEU   2  38.373   9.140   9.993
   17    HG   LEU   2           HG       LEU   2  40.761   9.590  10.207
   18   HD11  LEU   2          HD11      LEU   2  42.343   7.520  10.103
   19   HD12  LEU   2          HD12      LEU   2  40.935   6.589  10.668
   20   HD13  LEU   2          HD13      LEU   2  41.592   7.908  11.666
   21   HD21  LEU   2          HD21      LEU   2  39.821   9.044   7.947
   22   HD22  LEU   2          HD22      LEU   2  40.325   7.353   8.181
   23   HD23  LEU   2          HD23      LEU   2  41.548   8.643   8.094
   24    H    ARG   3           HN       ARG   3  38.803  10.671  10.957
   25    HA   ARG   3           HA       ARG   3  39.879  12.036  13.353
   26    HB2  ARG   3           HB2      ARG   3  41.347  11.968  10.682
   27    HB3  ARG   3           HB1      ARG   3  41.640  13.197  11.935
   28    HG2  ARG   3           HG2      ARG   3  42.100  11.282  13.557
   29    HG3  ARG   3           HG1      ARG   3  42.057  10.186  12.155
   30    HD2  ARG   3           HD2      ARG   3  44.379  10.882  12.677
   31    HD3  ARG   3           HD1      ARG   3  43.871  11.478  11.079
   32    HE   ARG   3           HE       ARG   3  43.327  13.447  13.127
   33   HH11  ARG   3          HH11      ARG   3  46.206  12.532  13.586
   34   HH12  ARG   3          HH12      ARG   3  47.073  13.662  12.602
   35   HH21  ARG   3          HH21      ARG   3  44.268  14.681  10.836
   36   HH22  ARG   3          HH22      ARG   3  45.976  14.880  11.046
   37    H    ARG   4           HN       ARG   4  38.453  11.886  10.196
   38    HA   ARG   4           HA       ARG   4  37.226  14.600  10.621
   39    HB2  ARG   4           HB2      ARG   4  38.178  13.471   7.955
   40    HB3  ARG   4           HB1      ARG   4  37.415  15.053   8.227
   41    HG2  ARG   4           HG2      ARG   4  40.031  14.202   9.546
   42    HG3  ARG   4           HG1      ARG   4  39.959  15.093   8.011
   43    HD2  ARG   4           HD2      ARG   4  38.489  16.815   9.306
   44    HD3  ARG   4           HD1      ARG   4  39.099  16.014  10.773
   45    HE   ARG   4           HE       ARG   4  41.324  16.633   9.099
   46   HH11  ARG   4          HH11      ARG   4  38.740  18.583  10.085
   47   HH12  ARG   4          HH12      ARG   4  39.726  19.780  10.857
   48   HH21  ARG   4          HH21      ARG   4  42.667  17.983  10.483
   49   HH22  ARG   4          HH22      ARG   4  41.948  19.441  11.081
   50    H    ILE   5           HN       ILE   5  36.846  11.325  10.416
   51    HA   ILE   5           HA       ILE   5  35.003   9.972  10.054
   52    HB   ILE   5           HB       ILE   5  33.305  12.499   9.918
   53   HG12  ILE   5          HG12      ILE   5  34.379  11.012  12.360
   54   HG13  ILE   5          HG11      ILE   5  34.791  12.674  11.875
   55   HG21  ILE   5          HG21      ILE   5  32.356  10.156   9.416
   56   HG22  ILE   5          HG22      ILE   5  31.541  11.079  10.698
   57   HG23  ILE   5          HG23      ILE   5  32.676   9.774  11.124
   58   HD11  ILE   5           HD1      ILE   5  32.145  11.608  12.919
   59   HD12  ILE   5           HD2      ILE   5  32.229  13.137  12.009
   60   HD13  ILE   5           HD3      ILE   5  33.122  12.959  13.539
   61    H    GLY   6           HN       GLY   6  34.561   8.911   8.248
   62    HA2  GLY   6           HA1      GLY   6  33.882   8.533   6.060
   63    HA3  GLY   6           HA2      GLY   6  33.357  10.225   5.955
   64    H    LYS   7           HN       LYS   7  36.620   9.241   6.875
   65    HA   LYS   7           HA       LYS   7  38.656   9.711   5.871
   66    HB2  LYS   7           HB2      LYS   7  37.210   9.289   3.231
   67    HB3  LYS   7           HB1      LYS   7  38.929   9.008   3.597
   68    HG2  LYS   7           HG2      LYS   7  38.241   7.252   5.256
   69    HG3  LYS   7           HG1      LYS   7  36.553   7.476   4.738
   70    HD2  LYS   7           HD2      LYS   7  37.201   6.887   2.409
   71    HD3  LYS   7           HD1      LYS   7  38.876   6.627   2.953
   72    HE2  LYS   7           HE2      LYS   7  38.106   4.857   4.503
   73    HE3  LYS   7           HE1      LYS   7  36.428   5.117   3.972
   74    HZ1  LYS   7           HZ1      LYS   7  38.710   4.180   2.308
   75    HZ2  LYS   7           HZ2      LYS   7  37.184   4.591   1.686
   76    HZ3  LYS   7           HZ3      LYS   7  37.342   3.287   2.764
   77    H    GLY   8           HN       GLY   8  39.743  11.077   4.029
   78    HA2  GLY   8           HA1      GLY   8  38.480  13.260   2.817
   79    HA3  GLY   8           HA2      GLY   8  38.862  13.797   4.465
   80    H    VAL   9           HN       VAL   9  39.987  13.469   1.298
   81    HA   VAL   9           HA       VAL   9  42.838  13.215   1.944
   82    HB   VAL   9           HB       VAL   9  41.441  14.052  -0.638
   83   HG11  VAL   9          HG11      VAL   9  43.706  14.873  -0.699
   84   HG12  VAL   9          HG12      VAL   9  43.703  13.350  -1.618
   85   HG13  VAL   9          HG13      VAL   9  44.335  13.385   0.045
   86   HG21  VAL   9          HG21      VAL   9  42.608  11.399   0.319
   87   HG22  VAL   9          HG22      VAL   9  42.002  11.714  -1.324
   88   HG23  VAL   9          HG23      VAL   9  40.884  11.759   0.059
   89    H    LYS  10           HN       LYS  10  41.455  15.781  -0.106
   90    HA   LYS  10           HA       LYS  10  42.048  17.930   1.738
   91    HB2  LYS  10           HB2      LYS  10  44.375  17.105   1.093
   92    HB3  LYS  10           HB1      LYS  10  44.017  17.651  -0.562
   93    HG2  LYS  10           HG2      LYS  10  43.430  19.935   0.487
   94    HG3  LYS  10           HG1      LYS  10  44.194  19.329   1.973
   95    HD2  LYS  10           HD2      LYS  10  45.519  19.538  -0.770
   96    HD3  LYS  10           HD1      LYS  10  45.812  20.616   0.615
   97    HE2  LYS  10           HE2      LYS  10  46.530  17.677   0.328
   98    HE3  LYS  10           HE1      LYS  10  47.602  19.051   0.681
   99    HZ1  LYS  10           HZ1      LYS  10  45.550  17.848   2.463
  100    HZ2  LYS  10           HZ2      LYS  10  46.306  19.335   2.786
  101    HZ3  LYS  10           HZ3      LYS  10  47.229  17.910   2.705
  102    H    ILE  11           HN       ILE  11  41.397  16.682  -1.473
  103    HA   ILE  11           HA       ILE  11  39.900  19.221  -2.100
  104    HB   ILE  11           HB       ILE  11  41.442  17.615  -4.179
  105   HG12  ILE  11          HG12      ILE  11  42.260  20.127  -2.647
  106   HG13  ILE  11          HG11      ILE  11  43.068  18.543  -2.600
  107   HG21  ILE  11          HG21      ILE  11  40.973  19.474  -5.623
  108   HG22  ILE  11          HG22      ILE  11  40.435  20.490  -4.264
  109   HG23  ILE  11          HG23      ILE  11  39.439  19.115  -4.798
  110   HD11  ILE  11           HD1      ILE  11  44.380  19.810  -4.120
  111   HD12  ILE  11           HD2      ILE  11  42.949  20.540  -4.885
  112   HD13  ILE  11           HD3      ILE  11  43.340  18.826  -5.177
  113    H    ILE  12           HN       ILE  12  40.449  15.773  -2.912
  114    HA   ILE  12           HA       ILE  12  37.831  15.534  -4.207
  115    HB   ILE  12           HB       ILE  12  39.774  13.441  -3.179
  116   HG12  ILE  12          HG12      ILE  12  39.442  14.155  -6.120
  117   HG13  ILE  12          HG11      ILE  12  40.453  15.194  -5.094
  118   HG21  ILE  12          HG21      ILE  12  38.522  12.045  -5.026
  119   HG22  ILE  12          HG22      ILE  12  37.267  13.296  -4.904
  120   HG23  ILE  12          HG23      ILE  12  37.694  12.321  -3.480
  121   HD11  ILE  12           HD1      ILE  12  40.846  12.179  -5.142
  122   HD12  ILE  12           HD2      ILE  12  41.976  13.443  -4.606
  123   HD13  ILE  12           HD3      ILE  12  41.623  13.244  -6.337
  124    H    GLY  13           HN       GLY  13  38.881  13.172  -1.783
  125    HA2  GLY  13           HA1      GLY  13  36.322  13.037  -0.511
  126    HA3  GLY  13           HA2      GLY  13  37.860  12.461   0.172
  127    H    GLY  14           HN       GLY  14  38.624  15.343  -0.729
  128    HA2  GLY  14           HA1      GLY  14  38.371  16.548   1.951
  129    HA3  GLY  14           HA2      GLY  14  39.235  17.215   0.547
  130    H    ALA  15           HN       ALA  15  37.291  17.243  -1.430
  131    HA   ALA  15           HA       ALA  15  35.534  19.422  -0.378
  132    HB1  ALA  15           HB1      ALA  15  34.931  19.787  -2.702
  133    HB2  ALA  15           HB2      ALA  15  35.752  18.289  -3.193
  134    HB3  ALA  15           HB3      ALA  15  36.700  19.669  -2.581
  135    H    ALA  16           HN       ALA  16  35.299  16.682   0.530
  136    HA   ALA  16           HA       ALA  16  33.556  15.296   1.124
  137    HB1  ALA  16           HB1      ALA  16  31.325  15.965   0.871
  138    HB2  ALA  16           HB2      ALA  16  31.627  16.758  -0.692
  139    HB3  ALA  16           HB3      ALA  16  32.191  17.518   0.814
  140    H    LEU  17           HN       LEU  17  35.389  14.698  -0.974
  141    HA   LEU  17           HA       LEU  17  35.585  13.166  -2.727
  142    HB2  LEU  17           HB2      LEU  17  34.116  11.866  -1.008
  143    HB3  LEU  17           HB1      LEU  17  32.766  12.224  -2.104
  144    HG   LEU  17           HG       LEU  17  34.459  11.265  -3.968
  145   HD11  LEU  17          HD11      LEU  17  35.978   9.598  -3.184
  146   HD12  LEU  17          HD12      LEU  17  35.304   9.635  -1.536
  147   HD13  LEU  17          HD13      LEU  17  36.267  11.003  -2.134
  148   HD21  LEU  17          HD21      LEU  17  32.265  10.283  -3.476
  149   HD22  LEU  17          HD22      LEU  17  32.899   9.537  -1.991
  150   HD23  LEU  17          HD23      LEU  17  33.480   8.988  -3.582
  151    H    ASP  18           HN       ASP  18  35.012  15.627  -3.593
  152    HA   ASP  18           HA       ASP  18  34.261  16.740  -5.471
  153    HB2  ASP  18           HB2      ASP  18  34.839  14.471  -6.552
  154    HB3  ASP  18           HB1      ASP  18  33.094  14.128  -6.502
  155    H    HIS  19           HN       HIS  19  31.721  14.206  -5.281
  156    HA   HIS  19           HA       HIS  19  29.803  16.118  -4.119
  157    HB2  HIS  19           HB2      HIS  19  29.876  16.702  -6.581
  158    HB3  HIS  19           HB1      HIS  19  29.300  15.054  -6.926
  159    HD1  HIS  19           HD1      HIS  19  27.750  15.818  -3.830
  160    HD2  HIS  19           HD2      HIS  19  27.028  16.992  -7.803
  161    HE1  HIS  19           HE1      HIS  19  25.354  16.701  -3.940
  162    H    LEU  20           HN       LEU  20  30.887  13.606  -3.307
  163    HA   LEU  20           HA       LEU  20  30.195  11.522  -2.562
  164    HB2  LEU  20           HB2      LEU  20  28.499  13.108  -1.483
  165    HB3  LEU  20           HB1      LEU  20  27.382  12.651  -2.786
  166    HG   LEU  20           HG       LEU  20  27.969  10.162  -2.052
  167   HD11  LEU  20          HD11      LEU  20  28.338  10.035   0.439
  168   HD12  LEU  20          HD12      LEU  20  28.680  11.780   0.441
  169   HD13  LEU  20          HD13      LEU  20  29.743  10.664  -0.448
  170   HD21  LEU  20          HD21      LEU  20  25.731  11.159  -1.851
  171   HD22  LEU  20          HD22      LEU  20  26.222  12.017  -0.371
  172   HD23  LEU  20          HD23      LEU  20  26.118  10.240  -0.378
  Start of MODEL   23
    1    H1   TRP   1           HT1      TRP   1  42.145   1.464   9.831
    2    H2   TRP   1           HT2      TRP   1  42.317   3.069   9.299
    3    H3   TRP   1           HT3      TRP   1  42.876   1.786   8.337
    4    HA   TRP   1           HA       TRP   1  40.835   2.672   7.480
    5    HB2  TRP   1           HB2      TRP   1  40.414  -0.063   8.743
    6    HB3  TRP   1           HB1      TRP   1  39.678   0.566   7.248
    7    HD1  TRP   1           HD1      TRP   1  41.225   0.764   5.099
    8    HE1  TRP   1           HE1      TRP   1  43.482  -0.340   4.432
    9    HE3  TRP   1           HE3      TRP   1  42.683  -0.933   9.704
   10    HZ2  TRP   1           HZ2      TRP   1  45.613  -1.762   5.748
   11    HZ3  TRP   1           HZ3      TRP   1  44.832  -2.160   9.975
   12    HH2  TRP   1           HH2      TRP   1  46.298  -2.576   8.003
   13    H    LEU   2           HN       LEU   2  40.139   4.404   8.887
   14    HA   LEU   2           HA       LEU   2  38.568   3.794  11.260
   15    HB2  LEU   2           HB2      LEU   2  39.004   6.284   9.580
   16    HB3  LEU   2           HB1      LEU   2  37.877   6.276  10.948
   17    HG   LEU   2           HG       LEU   2  40.260   7.105  11.425
   18   HD11  LEU   2          HD11      LEU   2  40.277   6.244  13.632
   19   HD12  LEU   2          HD12      LEU   2  39.540   4.704  13.150
   20   HD13  LEU   2          HD13      LEU   2  38.567   6.192  13.160
   21   HD21  LEU   2          HD21      LEU   2  42.038   5.499  11.673
   22   HD22  LEU   2          HD22      LEU   2  41.350   5.268  10.051
   23   HD23  LEU   2          HD23      LEU   2  40.944   4.134  11.360
   24    H    ARG   3           HN       ARG   3  37.277   5.922   8.785
   25    HA   ARG   3           HA       ARG   3  35.010   4.011   8.274
   26    HB2  ARG   3           HB2      ARG   3  34.629   6.978   8.829
   27    HB3  ARG   3           HB1      ARG   3  33.376   5.727   8.647
   28    HG2  ARG   3           HG2      ARG   3  34.236   4.588  10.686
   29    HG3  ARG   3           HG1      ARG   3  35.447   5.879  10.880
   30    HD2  ARG   3           HD2      ARG   3  33.687   7.556  11.138
   31    HD3  ARG   3           HD1      ARG   3  32.433   6.337  10.803
   32    HE   ARG   3           HE       ARG   3  34.099   5.567  13.056
   33   HH11  ARG   3          HH11      ARG   3  30.974   5.760  12.338
   34   HH12  ARG   3          HH12      ARG   3  30.450   6.632  13.741
   35   HH21  ARG   3          HH21      ARG   3  33.660   7.480  14.739
   36   HH22  ARG   3          HH22      ARG   3  31.971   7.606  15.099
   37    H    ARG   4           HN       ARG   4  37.378   6.197   7.213
   38    HA   ARG   4           HA       ARG   4  36.351   6.004   4.424
   39    HB2  ARG   4           HB2      ARG   4  37.109   8.665   5.701
   40    HB3  ARG   4           HB1      ARG   4  36.623   8.396   4.009
   41    HG2  ARG   4           HG2      ARG   4  34.429   7.448   4.914
   42    HG3  ARG   4           HG1      ARG   4  34.921   8.060   6.511
   43    HD2  ARG   4           HD2      ARG   4  35.207  10.346   5.448
   44    HD3  ARG   4           HD1      ARG   4  34.467   9.681   3.973
   45    HE   ARG   4           HE       ARG   4  32.744   9.105   6.175
   46   HH11  ARG   4          HH11      ARG   4  33.557  11.925   6.859
   47   HH12  ARG   4          HH12      ARG   4  32.369  12.853   6.006
   48   HH21  ARG   4          HH21      ARG   4  31.383  10.217   3.979
   49   HH22  ARG   4          HH22      ARG   4  31.137  11.885   4.375
   50    H    ILE   5           HN       ILE   5  38.691   5.381   6.519
   51    HA   ILE   5           HA       ILE   5  40.970   5.015   6.327
   52    HB   ILE   5           HB       ILE   5  40.677   5.500   3.333
   53   HG12  ILE   5          HG12      ILE   5  40.062   2.983   4.950
   54   HG13  ILE   5          HG11      ILE   5  38.875   3.977   4.074
   55   HG21  ILE   5          HG21      ILE   5  42.427   3.511   4.836
   56   HG22  ILE   5          HG22      ILE   5  42.966   5.167   4.470
   57   HG23  ILE   5          HG23      ILE   5  42.573   4.048   3.145
   58   HD11  ILE   5           HD1      ILE   5  39.342   2.189   2.582
   59   HD12  ILE   5           HD2      ILE   5  41.083   2.227   2.940
   60   HD13  ILE   5           HD3      ILE   5  40.346   3.526   1.971
   61    H    GLY   6           HN       GLY   6  41.980   6.653   7.337
   62    HA2  GLY   6           HA1      GLY   6  43.081   8.668   7.620
   63    HA3  GLY   6           HA2      GLY   6  43.518   8.516   5.907
   64    H    LYS   7           HN       LYS   7  40.312   8.936   7.416
   65    HA   LYS   7           HA       LYS   7  38.613  10.400   6.751
   66    HB2  LYS   7           HB2      LYS   7  39.113  12.733   7.419
   67    HB3  LYS   7           HB1      LYS   7  39.696  11.555   8.611
   68    HG2  LYS   7           HG2      LYS   7  41.976  11.795   7.875
   69    HG3  LYS   7           HG1      LYS   7  41.486  12.718   6.434
   70    HD2  LYS   7           HD2      LYS   7  40.662  14.548   7.863
   71    HD3  LYS   7           HD1      LYS   7  41.098  13.622   9.319
   72    HE2  LYS   7           HE2      LYS   7  42.875  15.230   8.848
   73    HE3  LYS   7           HE1      LYS   7  43.483  13.589   8.523
   74    HZ1  LYS   7           HZ1      LYS   7  44.015  14.367   6.522
   75    HZ2  LYS   7           HZ2      LYS   7  43.104  15.787   6.720
   76    HZ3  LYS   7           HZ3      LYS   7  42.358  14.367   6.162
   77    H    GLY   8           HN       GLY   8  38.751  13.048   5.707
   78    HA2  GLY   8           HA1      GLY   8  38.710  12.444   2.910
   79    HA3  GLY   8           HA2      GLY   8  38.624  14.060   3.637
   80    H    VAL   9           HN       VAL   9  39.993  13.221   1.201
   81    HA   VAL   9           HA       VAL   9  42.847  13.124   1.796
   82    HB   VAL   9           HB       VAL   9  41.373  13.757  -0.803
   83   HG11  VAL   9          HG11      VAL   9  44.301  13.222  -0.150
   84   HG12  VAL   9          HG12      VAL   9  43.609  14.640  -0.972
   85   HG13  VAL   9          HG13      VAL   9  43.633  13.060  -1.792
   86   HG21  VAL   9          HG21      VAL   9  40.930  11.492   0.112
   87   HG22  VAL   9          HG22      VAL   9  42.682  11.205   0.242
   88   HG23  VAL   9          HG23      VAL   9  41.930  11.409  -1.358
   89    H    LYS  10           HN       LYS  10  41.481  15.513  -0.447
   90    HA   LYS  10           HA       LYS  10  41.934  17.798   1.261
   91    HB2  LYS  10           HB2      LYS  10  44.312  17.026   0.842
   92    HB3  LYS  10           HB1      LYS  10  44.046  17.367  -0.884
   93    HG2  LYS  10           HG2      LYS  10  43.501  19.719  -0.346
   94    HG3  LYS  10           HG1      LYS  10  43.748  19.384   1.385
   95    HD2  LYS  10           HD2      LYS  10  46.091  18.859   1.013
   96    HD3  LYS  10           HD1      LYS  10  45.881  18.971  -0.752
   97    HE2  LYS  10           HE2      LYS  10  46.902  21.032   0.346
   98    HE3  LYS  10           HE1      LYS  10  45.450  21.341  -0.636
   99    HZ1  LYS  10           HZ1      LYS  10  45.293  22.479   1.472
  100    HZ2  LYS  10           HZ2      LYS  10  45.547  21.033   2.326
  101    HZ3  LYS  10           HZ3      LYS  10  44.130  21.245   1.413
  102    H    ILE  11           HN       ILE  11  41.407  16.290  -1.839
  103    HA   ILE  11           HA       ILE  11  40.214  18.864  -2.887
  104    HB   ILE  11           HB       ILE  11  41.209  16.534  -4.575
  105   HG12  ILE  11          HG12      ILE  11  43.092  18.465  -5.045
  106   HG13  ILE  11          HG11      ILE  11  42.731  18.854  -3.349
  107   HG21  ILE  11          HG21      ILE  11  39.545  18.050  -5.593
  108   HG22  ILE  11          HG22      ILE  11  41.133  18.252  -6.369
  109   HG23  ILE  11          HG23      ILE  11  40.561  19.454  -5.189
  110   HD11  ILE  11           HD1      ILE  11  44.501  17.283  -3.213
  111   HD12  ILE  11           HD2      ILE  11  43.833  16.277  -4.520
  112   HD13  ILE  11           HD3      ILE  11  43.054  16.291  -2.923
  113    H    ILE  12           HN       ILE  12  40.013  15.285  -2.982
  114    HA   ILE  12           HA       ILE  12  37.187  15.455  -3.902
  115    HB   ILE  12           HB       ILE  12  38.960  13.068  -3.267
  116   HG12  ILE  12          HG12      ILE  12  39.975  14.336  -5.067
  117   HG13  ILE  12          HG11      ILE  12  39.222  12.893  -5.773
  118   HG21  ILE  12          HG21      ILE  12  36.151  13.362  -4.358
  119   HG22  ILE  12          HG22      ILE  12  36.829  12.119  -3.284
  120   HG23  ILE  12          HG23      ILE  12  37.164  12.058  -5.026
  121   HD11  ILE  12           HD1      ILE  12  38.541  14.610  -7.243
  122   HD12  ILE  12           HD2      ILE  12  38.320  15.785  -5.929
  123   HD13  ILE  12           HD3      ILE  12  37.144  14.470  -6.154
  124    H    GLY  13           HN       GLY  13  38.144  12.802  -1.817
  125    HA2  GLY  13           HA1      GLY  13  35.971  13.072  -0.035
  126    HA3  GLY  13           HA2      GLY  13  37.505  12.260   0.347
  127    H    GLY  14           HN       GLY  14  38.636  14.969  -0.582
  128    HA2  GLY  14           HA1      GLY  14  38.941  16.112   2.109
  129    HA3  GLY  14           HA2      GLY  14  39.714  16.669   0.609
  130    H    ALA  15           HN       ALA  15  37.654  17.170  -1.115
  131    HA   ALA  15           HA       ALA  15  36.412  19.539   0.226
  132    HB1  ALA  15           HB1      ALA  15  36.001  18.591  -2.630
  133    HB2  ALA  15           HB2      ALA  15  37.392  19.586  -2.130
  134    HB3  ALA  15           HB3      ALA  15  35.738  20.216  -1.959
  135    H    ALA  16           HN       ALA  16  35.799  16.763   0.977
  136    HA   ALA  16           HA       ALA  16  33.906  15.683   1.735
  137    HB1  ALA  16           HB1      ALA  16  31.823  16.746   1.801
  138    HB2  ALA  16           HB2      ALA  16  32.065  17.561   0.237
  139    HB3  ALA  16           HB3      ALA  16  32.933  18.130   1.682
  140    H    LEU  17           HN       LEU  17  35.336  14.804  -0.474
  141    HA   LEU  17           HA       LEU  17  35.074  13.264  -2.196
  142    HB2  LEU  17           HB2      LEU  17  33.126  12.530  -0.551
  143    HB3  LEU  17           HB1      LEU  17  32.070  13.208  -1.808
  144    HG   LEU  17           HG       LEU  17  33.570  11.720  -3.450
  145   HD11  LEU  17          HD11      LEU  17  33.873  10.296  -0.764
  146   HD12  LEU  17          HD12      LEU  17  35.192  10.972  -1.747
  147   HD13  LEU  17          HD13      LEU  17  34.255   9.586  -2.348
  148   HD21  LEU  17          HD21      LEU  17  31.470  10.537  -1.574
  149   HD22  LEU  17          HD22      LEU  17  31.978   9.830  -3.126
  150   HD23  LEU  17          HD23      LEU  17  31.149  11.404  -3.094
  151    H    ASP  18           HN       ASP  18  34.260  16.316  -2.282
  152    HA   ASP  18           HA       ASP  18  33.704  17.815  -3.951
  153    HB2  ASP  18           HB2      ASP  18  35.457  16.493  -5.175
  154    HB3  ASP  18           HB1      ASP  18  34.158  15.489  -5.861
  155    H    HIS  19           HN       HIS  19  32.470  14.879  -5.591
  156    HA   HIS  19           HA       HIS  19  29.904  16.208  -6.066
  157    HB2  HIS  19           HB2      HIS  19  30.943  14.667  -7.712
  158    HB3  HIS  19           HB1      HIS  19  30.759  13.327  -6.557
  159    HD1  HIS  19           HD1      HIS  19  28.213  16.097  -7.265
  160    HD2  HIS  19           HD2      HIS  19  28.627  11.933  -7.671
  161    HE1  HIS  19           HE1      HIS  19  25.974  15.185  -8.090
  162    H    LEU  20           HN       LEU  20  31.014  15.260  -3.259
  163    HA   LEU  20           HA       LEU  20  30.080  14.402  -1.313
  164    HB2  LEU  20           HB2      LEU  20  27.646  15.374  -2.843
  165    HB3  LEU  20           HB1      LEU  20  27.469  14.608  -1.248
  166    HG   LEU  20           HG       LEU  20  29.002  16.280  -0.263
  167   HD11  LEU  20          HD11      LEU  20  29.132  17.263  -3.141
  168   HD12  LEU  20          HD12      LEU  20  30.479  16.832  -2.058
  169   HD13  LEU  20          HD13      LEU  20  29.541  18.313  -1.763
  170   HD21  LEU  20          HD21      LEU  20  26.756  17.497  -1.937
  171   HD22  LEU  20          HD22      LEU  20  27.512  18.258  -0.516
  172   HD23  LEU  20          HD23      LEU  20  26.576  16.756  -0.329
  Start of MODEL   24
    1    H1   TRP   1           HT1      TRP   1  34.480  15.267  17.591
    2    H2   TRP   1           HT2      TRP   1  33.202  16.262  18.105
    3    H3   TRP   1           HT3      TRP   1  34.712  16.343  18.880
    4    HA   TRP   1           HA       TRP   1  33.813  17.888  16.814
    5    HB2  TRP   1           HB2      TRP   1  36.616  17.424  17.909
    6    HB3  TRP   1           HB1      TRP   1  36.112  18.822  16.930
    7    HD1  TRP   1           HD1      TRP   1  33.964  20.250  18.020
    8    HE1  TRP   1           HE1      TRP   1  33.539  20.911  20.499
    9    HE3  TRP   1           HE3      TRP   1  36.985  16.806  20.303
   10    HZ2  TRP   1           HZ2      TRP   1  34.410  20.037  23.102
   11    HZ3  TRP   1           HZ3      TRP   1  37.172  16.738  22.785
   12    HH2  TRP   1           HH2      TRP   1  35.889  18.349  24.185
   13    H    LEU   2           HN       LEU   2  33.402  15.575  15.572
   14    HA   LEU   2           HA       LEU   2  33.785  14.491  13.567
   15    HB2  LEU   2           HB2      LEU   2  35.939  16.539  12.966
   16    HB3  LEU   2           HB1      LEU   2  34.946  15.614  11.819
   17    HG   LEU   2           HG       LEU   2  34.009  17.831  13.694
   18   HD11  LEU   2          HD11      LEU   2  34.037  17.525  10.659
   19   HD12  LEU   2          HD12      LEU   2  35.100  18.583  11.616
   20   HD13  LEU   2          HD13      LEU   2  33.353  18.906  11.547
   21   HD21  LEU   2          HD21      LEU   2  32.221  16.243  13.727
   22   HD22  LEU   2          HD22      LEU   2  32.453  15.822  12.012
   23   HD23  LEU   2          HD23      LEU   2  31.765  17.402  12.458
   24    H    ARG   3           HN       ARG   3  36.145  14.856  15.935
   25    HA   ARG   3           HA       ARG   3  37.924  13.532  16.565
   26    HB2  ARG   3           HB2      ARG   3  37.101  11.592  14.385
   27    HB3  ARG   3           HB1      ARG   3  37.975  11.244  15.895
   28    HG2  ARG   3           HG2      ARG   3  35.946  12.051  17.171
   29    HG3  ARG   3           HG1      ARG   3  35.078  12.153  15.620
   30    HD2  ARG   3           HD2      ARG   3  34.641   9.994  16.776
   31    HD3  ARG   3           HD1      ARG   3  35.473   9.752  15.220
   32    HE   ARG   3           HE       ARG   3  37.485   9.943  17.199
   33   HH11  ARG   3          HH11      ARG   3  38.547   7.828  17.010
   34   HH12  ARG   3          HH12      ARG   3  37.578   6.448  17.408
   35   HH21  ARG   3          HH21      ARG   3  34.598   8.223  17.448
   36   HH22  ARG   3          HH22      ARG   3  35.342   6.672  17.656
   37    H    ARG   4           HN       ARG   4  37.648  14.671  13.331
   38    HA   ARG   4           HA       ARG   4  40.581  14.815  13.145
   39    HB2  ARG   4           HB2      ARG   4  39.772  12.494  12.226
   40    HB3  ARG   4           HB1      ARG   4  39.162  13.428  10.843
   41    HG2  ARG   4           HG2      ARG   4  41.432  14.357  10.466
   42    HG3  ARG   4           HG1      ARG   4  42.041  13.443  11.866
   43    HD2  ARG   4           HD2      ARG   4  40.723  12.172   9.430
   44    HD3  ARG   4           HD1      ARG   4  42.482  12.309   9.660
   45    HE   ARG   4           HE       ARG   4  40.735  10.391  10.979
   46   HH11  ARG   4          HH11      ARG   4  43.882  11.479  10.517
   47   HH12  ARG   4          HH12      ARG   4  44.513  10.817  11.988
   48   HH21  ARG   4          HH21      ARG   4  41.406   9.889  13.215
   49   HH22  ARG   4          HH22      ARG   4  43.111   9.917  13.515
   50    H    ILE   5           HN       ILE   5  38.281  16.629  13.328
   51    HA   ILE   5           HA       ILE   5  37.377  18.481  12.237
   52    HB   ILE   5           HB       ILE   5  40.117  18.637  10.920
   53   HG12  ILE   5          HG12      ILE   5  40.624  18.222  13.214
   54   HG13  ILE   5          HG11      ILE   5  40.725  19.983  13.037
   55   HG21  ILE   5          HG21      ILE   5  39.646  21.150  11.354
   56   HG22  ILE   5          HG22      ILE   5  37.962  20.659  11.643
   57   HG23  ILE   5          HG23      ILE   5  38.719  20.350  10.068
   58   HD11  ILE   5           HD1      ILE   5  39.503  19.605  15.056
   59   HD12  ILE   5           HD2      ILE   5  38.499  18.343  14.307
   60   HD13  ILE   5           HD3      ILE   5  38.274  20.048  13.853
   61    H    GLY   6           HN       GLY   6  36.065  16.813  10.968
   62    HA2  GLY   6           HA1      GLY   6  35.088  16.255   8.948
   63    HA3  GLY   6           HA2      GLY   6  35.886  17.685   8.265
   64    H    LYS   7           HN       LYS   7  36.372  14.260   9.132
   65    HA   LYS   7           HA       LYS   7  38.880  13.837   7.945
   66    HB2  LYS   7           HB2      LYS   7  38.024  11.477   7.525
   67    HB3  LYS   7           HB1      LYS   7  37.839  12.070   9.194
   68    HG2  LYS   7           HG2      LYS   7  35.490  12.681   8.731
   69    HG3  LYS   7           HG1      LYS   7  35.667  12.113   7.053
   70    HD2  LYS   7           HD2      LYS   7  36.160   9.834   7.855
   71    HD3  LYS   7           HD1      LYS   7  36.037  10.389   9.543
   72    HE2  LYS   7           HE2      LYS   7  33.692  10.898   9.291
   73    HE3  LYS   7           HE1      LYS   7  33.768  10.663   7.529
   74    HZ1  LYS   7           HZ1      LYS   7  34.220   8.562   9.591
   75    HZ2  LYS   7           HZ2      LYS   7  34.321   8.333   7.912
   76    HZ3  LYS   7           HZ3      LYS   7  32.833   8.730   8.631
   77    H    GLY   8           HN       GLY   8  39.662  13.433   5.925
   78    HA2  GLY   8           HA1      GLY   8  38.180  12.811   3.621
   79    HA3  GLY   8           HA2      GLY   8  38.215  14.582   3.717
   80    H    VAL   9           HN       VAL   9  39.336  13.430   1.545
   81    HA   VAL   9           HA       VAL   9  42.133  12.798   1.894
   82    HB   VAL   9           HB       VAL   9  40.666  13.805  -0.586
   83   HG11  VAL   9          HG11      VAL   9  42.604  12.593  -1.731
   84   HG12  VAL   9          HG12      VAL   9  43.396  12.529  -0.138
   85   HG13  VAL   9          HG13      VAL   9  43.041  14.101  -0.894
   86   HG21  VAL   9          HG21      VAL   9  39.755  11.695   0.405
   87   HG22  VAL   9          HG22      VAL   9  41.383  10.980   0.322
   88   HG23  VAL   9          HG23      VAL   9  40.527  11.424  -1.175
   89    H    LYS  10           HN       LYS  10  41.108  15.493  -0.195
   90    HA   LYS  10           HA       LYS  10  42.241  17.574   1.454
   91    HB2  LYS  10           HB2      LYS  10  44.348  16.369   0.835
   92    HB3  LYS  10           HB1      LYS  10  43.972  16.662  -0.879
   93    HG2  LYS  10           HG2      LYS  10  44.029  19.083  -0.523
   94    HG3  LYS  10           HG1      LYS  10  44.268  18.849   1.226
   95    HD2  LYS  10           HD2      LYS  10  46.429  17.789   0.843
   96    HD3  LYS  10           HD1      LYS  10  46.177  17.825  -0.919
   97    HE2  LYS  10           HE2      LYS  10  46.027  20.346  -0.771
   98    HE3  LYS  10           HE1      LYS  10  46.493  20.219   0.943
   99    HZ1  LYS  10           HZ1      LYS  10  48.422  20.620  -0.436
  100    HZ2  LYS  10           HZ2      LYS  10  48.078  19.256  -1.389
  101    HZ3  LYS  10           HZ3      LYS  10  48.519  19.068   0.241
  102    H    ILE  11           HN       ILE  11  41.116  16.293  -1.596
  103    HA   ILE  11           HA       ILE  11  40.080  19.020  -2.314
  104    HB   ILE  11           HB       ILE  11  41.290  17.128  -4.372
  105   HG12  ILE  11          HG12      ILE  11  42.548  19.565  -3.025
  106   HG13  ILE  11          HG11      ILE  11  43.071  17.877  -2.823
  107   HG21  ILE  11          HG21      ILE  11  39.527  18.905  -4.992
  108   HG22  ILE  11          HG22      ILE  11  41.067  18.985  -5.876
  109   HG23  ILE  11          HG23      ILE  11  40.746  20.122  -4.543
  110   HD11  ILE  11           HD1      ILE  11  43.260  19.633  -5.292
  111   HD12  ILE  11           HD2      ILE  11  43.343  17.858  -5.415
  112   HD13  ILE  11           HD3      ILE  11  44.555  18.744  -4.459
  113    H    ILE  12           HN       ILE  12  40.076  15.503  -2.959
  114    HA   ILE  12           HA       ILE  12  37.345  15.658  -4.094
  115    HB   ILE  12           HB       ILE  12  39.108  13.276  -3.410
  116   HG12  ILE  12          HG12      ILE  12  39.984  14.979  -5.178
  117   HG13  ILE  12          HG11      ILE  12  39.946  13.264  -5.627
  118   HG21  ILE  12          HG21      ILE  12  37.603  12.120  -5.138
  119   HG22  ILE  12          HG22      ILE  12  36.537  13.540  -5.019
  120   HG23  ILE  12          HG23      ILE  12  36.835  12.527  -3.589
  121   HD11  ILE  12           HD1      ILE  12  37.971  13.559  -6.968
  122   HD12  ILE  12           HD2      ILE  12  39.065  14.895  -7.388
  123   HD13  ILE  12           HD3      ILE  12  37.681  15.186  -6.317
  124    H    GLY  13           HN       GLY  13  38.314  13.011  -1.955
  125    HA2  GLY  13           HA1      GLY  13  35.910  13.154  -0.411
  126    HA3  GLY  13           HA2      GLY  13  37.406  12.311   0.061
  127    H    GLY  14           HN       GLY  14  38.488  15.130  -0.744
  128    HA2  GLY  14           HA1      GLY  14  38.695  16.154   2.009
  129    HA3  GLY  14           HA2      GLY  14  39.507  16.788   0.560
  130    H    ALA  15           HN       ALA  15  37.425  17.255  -1.201
  131    HA   ALA  15           HA       ALA  15  36.122  19.575   0.173
  132    HB1  ALA  15           HB1      ALA  15  35.392  20.230  -2.030
  133    HB2  ALA  15           HB2      ALA  15  35.841  18.649  -2.709
  134    HB3  ALA  15           HB3      ALA  15  37.105  19.770  -2.139
  135    H    ALA  16           HN       ALA  16  35.559  16.808   0.907
  136    HA   ALA  16           HA       ALA  16  33.683  15.662   1.611
  137    HB1  ALA  16           HB1      ALA  16  31.830  17.517   0.100
  138    HB2  ALA  16           HB2      ALA  16  32.653  18.081   1.574
  139    HB3  ALA  16           HB3      ALA  16  31.571  16.669   1.643
  140    H    LEU  17           HN       LEU  17  35.187  14.942  -0.686
  141    HA   LEU  17           HA       LEU  17  34.984  13.555  -2.542
  142    HB2  LEU  17           HB2      LEU  17  33.250  12.565  -0.646
  143    HB3  LEU  17           HB1      LEU  17  32.128  12.809  -1.998
  144    HG   LEU  17           HG       LEU  17  34.747  11.239  -2.149
  145   HD11  LEU  17          HD11      LEU  17  31.857  10.265  -2.127
  146   HD12  LEU  17          HD12      LEU  17  32.974  10.165  -0.744
  147   HD13  LEU  17          HD13      LEU  17  33.316   9.252  -2.234
  148   HD21  LEU  17          HD21      LEU  17  32.468  11.696  -4.125
  149   HD22  LEU  17          HD22      LEU  17  33.740  10.470  -4.339
  150   HD23  LEU  17          HD23      LEU  17  34.167  12.198  -4.312
  151    H    ASP  18           HN       ASP  18  33.936  16.414  -2.491
  152    HA   ASP  18           HA       ASP  18  32.945  17.876  -3.985
  153    HB2  ASP  18           HB2      ASP  18  34.504  16.762  -5.560
  154    HB3  ASP  18           HB1      ASP  18  33.246  15.563  -5.941
  155    H    HIS  19           HN       HIS  19  31.621  14.892  -5.440
  156    HA   HIS  19           HA       HIS  19  29.039  15.825  -5.875
  157    HB2  HIS  19           HB2      HIS  19  29.634  12.997  -4.940
  158    HB3  HIS  19           HB1      HIS  19  28.357  13.541  -6.056
  159    HD1  HIS  19           HD1      HIS  19  31.078  15.555  -7.030
  160    HD2  HIS  19           HD2      HIS  19  30.301  11.446  -7.471
  161    HE1  HIS  19           HE1      HIS  19  32.494  14.718  -8.985
  162    H    LEU  20           HN       LEU  20  30.019  13.845  -3.028
  163    HA   LEU  20           HA       LEU  20  28.447  15.496  -1.225
  164    HB2  LEU  20           HB2      LEU  20  26.549  14.370  -2.203
  165    HB3  LEU  20           HB1      LEU  20  27.354  12.791  -2.094
  166    HG   LEU  20           HG       LEU  20  27.214  12.801   0.328
  167   HD11  LEU  20          HD11      LEU  20  27.659  15.061   0.947
  168   HD12  LEU  20          HD12      LEU  20  25.969  14.796   1.435
  169   HD13  LEU  20          HD13      LEU  20  26.334  15.689  -0.062
  170   HD21  LEU  20          HD21      LEU  20  25.168  12.167  -0.977
  171   HD22  LEU  20          HD22      LEU  20  24.583  13.841  -0.816
  172   HD23  LEU  20          HD23      LEU  20  24.784  12.824   0.632
  Start of MODEL   25
    1    H1   TRP   1           HT1      TRP   1  45.037   8.545  17.428
    2    H2   TRP   1           HT2      TRP   1  45.607  10.120  17.713
    3    H3   TRP   1           HT3      TRP   1  46.704   8.849  17.450
    4    HA   TRP   1           HA       TRP   1  46.356  10.387  15.550
    5    HB2  TRP   1           HB2      TRP   1  45.606   7.497  14.987
    6    HB3  TRP   1           HB1      TRP   1  46.538   8.615  13.962
    7    HD1  TRP   1           HD1      TRP   1  48.977   9.394  14.979
    8    HE1  TRP   1           HE1      TRP   1  50.706   8.055  16.385
    9    HE3  TRP   1           HE3      TRP   1  45.910   5.674  16.702
   10    HZ2  TRP   1           HZ2      TRP   1  50.722   5.689  18.028
   11    HZ3  TRP   1           HZ3      TRP   1  46.804   3.888  18.189
   12    HH2  TRP   1           HH2      TRP   1  49.205   3.891  18.852
   13    H    LEU   2           HN       LEU   2  45.017  10.606  13.571
   14    HA   LEU   2           HA       LEU   2  42.403  11.439  14.179
   15    HB2  LEU   2           HB2      LEU   2  43.888  11.850  12.067
   16    HB3  LEU   2           HB1      LEU   2  43.155  10.356  11.444
   17    HG   LEU   2           HG       LEU   2  40.862  11.549  12.155
   18   HD11  LEU   2          HD11      LEU   2  42.758  13.905  11.720
   19   HD12  LEU   2          HD12      LEU   2  41.905  13.513  13.232
   20   HD13  LEU   2          HD13      LEU   2  40.984  14.013  11.797
   21   HD21  LEU   2          HD21      LEU   2  42.474  12.410   9.709
   22   HD22  LEU   2          HD22      LEU   2  40.705  12.520   9.882
   23   HD23  LEU   2          HD23      LEU   2  41.498  10.927   9.839
   24    H    ARG   3           HN       ARG   3  43.611   8.278  13.983
   25    HA   ARG   3           HA       ARG   3  42.543   6.256  14.331
   26    HB2  ARG   3           HB2      ARG   3  40.797   7.791  15.563
   27    HB3  ARG   3           HB1      ARG   3  39.795   7.531  14.117
   28    HG2  ARG   3           HG2      ARG   3  40.040   5.064  14.418
   29    HG3  ARG   3           HG1      ARG   3  40.966   5.358  15.909
   30    HD2  ARG   3           HD2      ARG   3  38.065   6.104  15.357
   31    HD3  ARG   3           HD1      ARG   3  38.674   4.943  16.561
   32    HE   ARG   3           HE       ARG   3  39.898   7.343  17.254
   33   HH11  ARG   3          HH11      ARG   3  37.485   8.687  16.106
   34   HH12  ARG   3          HH12      ARG   3  36.412   8.735  17.465
   35   HH21  ARG   3          HH21      ARG   3  38.166   6.354  19.274
   36   HH22  ARG   3          HH22      ARG   3  36.797   7.415  19.257
   37    H    ARG   4           HN       ARG   4  40.973   8.406  11.942
   38    HA   ARG   4           HA       ARG   4  40.306   6.095  10.210
   39    HB2  ARG   4           HB2      ARG   4  39.971   9.103   9.885
   40    HB3  ARG   4           HB1      ARG   4  39.441   7.895   8.688
   41    HG2  ARG   4           HG2      ARG   4  37.969   6.847  10.354
   42    HG3  ARG   4           HG1      ARG   4  38.540   7.982  11.601
   43    HD2  ARG   4           HD2      ARG   4  37.610   9.876  10.384
   44    HD3  ARG   4           HD1      ARG   4  37.171   8.830   9.013
   45    HE   ARG   4           HE       ARG   4  35.227   8.263  10.212
   46   HH11  ARG   4          HH11      ARG   4  35.210   6.820  12.320
   47   HH12  ARG   4          HH12      ARG   4  35.339   7.787  13.751
   48   HH21  ARG   4          HH21      ARG   4  36.483  10.596  12.070
   49   HH22  ARG   4          HH22      ARG   4  36.061   9.924  13.610
   50    H    ILE   5           HN       ILE   5  43.058   7.853  10.887
   51    HA   ILE   5           HA       ILE   5  45.041   8.214   9.739
   52    HB   ILE   5           HB       ILE   5  44.164   5.953   7.894
   53   HG12  ILE   5          HG12      ILE   5  45.336   5.830  10.711
   54   HG13  ILE   5          HG11      ILE   5  43.728   5.259  10.211
   55   HG21  ILE   5          HG21      ILE   5  46.515   5.555   7.642
   56   HG22  ILE   5          HG22      ILE   5  46.919   6.620   9.010
   57   HG23  ILE   5          HG23      ILE   5  46.314   7.315   7.488
   58   HD11  ILE   5           HD1      ILE   5  46.450   4.107   9.508
   59   HD12  ILE   5           HD2      ILE   5  45.011   3.742   8.522
   60   HD13  ILE   5           HD3      ILE   5  45.053   3.290  10.243
   61    H    GLY   6           HN       GLY   6  43.767  10.228   9.047
   62    HA2  GLY   6           HA1      GLY   6  43.652  11.811   7.346
   63    HA3  GLY   6           HA2      GLY   6  44.293  10.611   6.208
   64    H    LYS   7           HN       LYS   7  41.337  11.497   8.029
   65    HA   LYS   7           HA       LYS   7  39.490   9.900   6.640
   66    HB2  LYS   7           HB2      LYS   7  38.899  11.261   8.600
   67    HB3  LYS   7           HB1      LYS   7  39.127  12.751   7.652
   68    HG2  LYS   7           HG2      LYS   7  37.281  12.206   6.195
   69    HG3  LYS   7           HG1      LYS   7  37.165  10.559   6.861
   70    HD2  LYS   7           HD2      LYS   7  36.417  11.396   9.003
   71    HD3  LYS   7           HD1      LYS   7  36.761  13.076   8.527
   72    HE2  LYS   7           HE2      LYS   7  34.689  11.247   7.235
   73    HE3  LYS   7           HE1      LYS   7  34.342  12.593   8.347
   74    HZ1  LYS   7           HZ1      LYS   7  35.122  12.647   5.545
   75    HZ2  LYS   7           HZ2      LYS   7  35.867  13.813   6.531
   76    HZ3  LYS   7           HZ3      LYS   7  34.173  13.737   6.432
   77    H    GLY   8           HN       GLY   8  39.527  13.405   5.997
   78    HA2  GLY   8           HA1      GLY   8  38.623  12.977   3.280
   79    HA3  GLY   8           HA2      GLY   8  39.086  14.524   4.013
   80    H    VAL   9           HN       VAL   9  39.655  13.329   1.333
   81    HA   VAL   9           HA       VAL   9  42.461  12.615   1.293
   82    HB   VAL   9           HB       VAL   9  40.658  13.670  -0.934
   83   HG11  VAL   9          HG11      VAL   9  43.446  12.443  -0.925
   84   HG12  VAL   9          HG12      VAL   9  42.948  14.014  -1.599
   85   HG13  VAL   9          HG13      VAL   9  42.421  12.503  -2.380
   86   HG21  VAL   9          HG21      VAL   9  40.529  11.272  -1.563
   87   HG22  VAL   9          HG22      VAL   9  39.890  11.544   0.077
   88   HG23  VAL   9          HG23      VAL   9  41.515  10.850  -0.142
   89    H    LYS  10           HN       LYS  10  41.235  15.346  -0.619
   90    HA   LYS  10           HA       LYS  10  42.594  17.385   0.900
   91    HB2  LYS  10           HB2      LYS  10  44.583  16.149   0.008
   92    HB3  LYS  10           HB1      LYS  10  43.998  16.458  -1.639
   93    HG2  LYS  10           HG2      LYS  10  45.689  18.119  -1.073
   94    HG3  LYS  10           HG1      LYS  10  44.112  18.925  -1.185
   95    HD2  LYS  10           HD2      LYS  10  43.954  19.249   1.146
   96    HD3  LYS  10           HD1      LYS  10  45.063  17.907   1.515
   97    HE2  LYS  10           HE2      LYS  10  46.965  19.216   0.668
   98    HE3  LYS  10           HE1      LYS  10  45.872  20.539   0.199
   99    HZ1  LYS  10           HZ1      LYS  10  46.924  20.954   2.343
  100    HZ2  LYS  10           HZ2      LYS  10  46.266  19.518   2.971
  101    HZ3  LYS  10           HZ3      LYS  10  45.245  20.797   2.515
  102    H    ILE  11           HN       ILE  11  41.052  16.148  -1.969
  103    HA   ILE  11           HA       ILE  11  39.985  18.898  -2.545
  104    HB   ILE  11           HB       ILE  11  40.808  16.956  -4.745
  105   HG12  ILE  11          HG12      ILE  11  42.349  19.316  -3.568
  106   HG13  ILE  11          HG11      ILE  11  42.837  17.605  -3.523
  107   HG21  ILE  11          HG21      ILE  11  40.432  18.818  -6.207
  108   HG22  ILE  11          HG22      ILE  11  40.364  19.969  -4.851
  109   HG23  ILE  11          HG23      ILE  11  39.043  18.804  -5.099
  110   HD11  ILE  11           HD1      ILE  11  42.688  17.700  -6.123
  111   HD12  ILE  11           HD2      ILE  11  44.068  18.508  -5.342
  112   HD13  ILE  11           HD3      ILE  11  42.685  19.469  -5.916
  113    H    ILE  12           HN       ILE  12  39.786  15.388  -3.220
  114    HA   ILE  12           HA       ILE  12  36.961  15.570  -3.990
  115    HB   ILE  12           HB       ILE  12  38.738  13.213  -3.272
  116   HG12  ILE  12          HG12      ILE  12  37.886  13.950  -6.105
  117   HG13  ILE  12          HG11      ILE  12  39.261  14.792  -5.357
  118   HG21  ILE  12          HG21      ILE  12  36.574  12.301  -3.102
  119   HG22  ILE  12          HG22      ILE  12  36.887  12.045  -4.828
  120   HG23  ILE  12          HG23      ILE  12  35.890  13.418  -4.305
  121   HD11  ILE  12           HD1      ILE  12  40.318  12.556  -4.889
  122   HD12  ILE  12           HD2      ILE  12  40.103  12.888  -6.623
  123   HD13  ILE  12           HD3      ILE  12  38.993  11.780  -5.788
  124    H    GLY  13           HN       GLY  13  38.032  13.069  -1.735
  125    HA2  GLY  13           HA1      GLY  13  35.806  13.377   0.018
  126    HA3  GLY  13           HA2      GLY  13  37.342  12.577   0.421
  127    H    GLY  14           HN       GLY  14  38.378  15.275  -0.711
  128    HA2  GLY  14           HA1      GLY  14  38.810  16.541   1.914
  129    HA3  GLY  14           HA2      GLY  14  39.495  17.042   0.351
  130    H    ALA  15           HN       ALA  15  37.269  17.394  -1.252
  131    HA   ALA  15           HA       ALA  15  36.083  19.821   0.050
  132    HB1  ALA  15           HB1      ALA  15  35.628  18.729  -2.753
  133    HB2  ALA  15           HB2      ALA  15  36.925  19.877  -2.327
  134    HB3  ALA  15           HB3      ALA  15  35.220  20.347  -2.142
  135    H    ALA  16           HN       ALA  16  35.573  17.066   0.922
  136    HA   ALA  16           HA       ALA  16  33.739  15.981   1.820
  137    HB1  ALA  16           HB1      ALA  16  31.640  16.999   1.944
  138    HB2  ALA  16           HB2      ALA  16  31.783  17.749   0.338
  139    HB3  ALA  16           HB3      ALA  16  32.706  18.402   1.712
  140    H    LEU  17           HN       LEU  17  35.090  15.062  -0.436
  141    HA   LEU  17           HA       LEU  17  34.788  13.463  -2.095
  142    HB2  LEU  17           HB2      LEU  17  33.026  12.667  -0.304
  143    HB3  LEU  17           HB1      LEU  17  31.830  13.283  -1.462
  144    HG   LEU  17           HG       LEU  17  33.244  11.838  -3.223
  145   HD11  LEU  17          HD11      LEU  17  34.117   9.754  -2.177
  146   HD12  LEU  17          HD12      LEU  17  33.817  10.445  -0.564
  147   HD13  LEU  17          HD13      LEU  17  35.029  11.182  -1.639
  148   HD21  LEU  17          HD21      LEU  17  31.360  10.596  -1.164
  149   HD22  LEU  17          HD22      LEU  17  31.759   9.895  -2.751
  150   HD23  LEU  17          HD23      LEU  17  30.875  11.437  -2.656
  151    H    ASP  18           HN       ASP  18  34.007  16.445  -2.340
  152    HA   ASP  18           HA       ASP  18  33.302  17.836  -4.047
  153    HB2  ASP  18           HB2      ASP  18  34.863  16.319  -5.334
  154    HB3  ASP  18           HB1      ASP  18  33.440  15.371  -5.825
  155    H    HIS  19           HN       HIS  19  31.796  14.840  -5.314
  156    HA   HIS  19           HA       HIS  19  29.339  16.041  -5.976
  157    HB2  HIS  19           HB2      HIS  19  29.650  13.176  -5.012
  158    HB3  HIS  19           HB1      HIS  19  28.455  13.817  -6.165
  159    HD1  HIS  19           HD1      HIS  19  30.500  15.627  -7.799
  160    HD2  HIS  19           HD2      HIS  19  31.068  11.571  -6.837
  161    HE1  HIS  19           HE1      HIS  19  32.129  14.658  -9.514
  162    H    LEU  20           HN       LEU  20  29.863  13.873  -3.152
  163    HA   LEU  20           HA       LEU  20  27.405  14.680  -1.891
  164    HB2  LEU  20           HB2      LEU  20  28.968  12.568  -1.541
  165    HB3  LEU  20           HB1      LEU  20  29.762  13.589  -0.325
  166    HG   LEU  20           HG       LEU  20  26.802  12.842  -0.422
  167   HD11  LEU  20          HD11      LEU  20  28.471  11.089   0.338
  168   HD12  LEU  20          HD12      LEU  20  27.277  11.554   1.573
  169   HD13  LEU  20          HD13      LEU  20  28.938  12.193   1.654
  170   HD21  LEU  20          HD21      LEU  20  28.388  14.745   1.351
  171   HD22  LEU  20          HD22      LEU  20  26.874  13.993   1.909
  172   HD23  LEU  20          HD23      LEU  20  26.866  15.049   0.480
  Start of MODEL   26
    1    H1   TRP   1           HT1      TRP   1  39.056  -0.311   7.584
    2    H2   TRP   1           HT2      TRP   1  38.422  -0.656   9.124
    3    H3   TRP   1           HT3      TRP   1  39.547   0.602   8.925
    4    HA   TRP   1           HA       TRP   1  36.976   1.013   9.100
    5    HB2  TRP   1           HB2      TRP   1  38.820   2.517   7.203
    6    HB3  TRP   1           HB1      TRP   1  37.379   3.162   8.025
    7    HD1  TRP   1           HD1      TRP   1  37.582   3.792  10.554
    8    HE1  TRP   1           HE1      TRP   1  39.575   4.038  12.206
    9    HE3  TRP   1           HE3      TRP   1  41.217   1.486   7.783
   10    HZ2  TRP   1           HZ2      TRP   1  42.362   3.317  12.283
   11    HZ3  TRP   1           HZ3      TRP   1  43.536   1.277   8.666
   12    HH2  TRP   1           HH2      TRP   1  44.111   2.189  10.912
   13    H    LEU   2           HN       LEU   2  35.641   2.241   7.259
   14    HA   LEU   2           HA       LEU   2  34.794   0.125   5.459
   15    HB2  LEU   2           HB2      LEU   2  33.422   2.071   6.577
   16    HB3  LEU   2           HB1      LEU   2  33.990   3.037   5.200
   17    HG   LEU   2           HG       LEU   2  33.111   0.973   3.754
   18   HD11  LEU   2          HD11      LEU   2  31.064  -0.039   4.798
   19   HD12  LEU   2          HD12      LEU   2  31.511   0.717   6.345
   20   HD13  LEU   2          HD13      LEU   2  32.562  -0.524   5.622
   21   HD21  LEU   2          HD21      LEU   2  32.168   3.231   3.604
   22   HD22  LEU   2          HD22      LEU   2  31.266   2.986   5.120
   23   HD23  LEU   2          HD23      LEU   2  30.844   2.044   3.669
   24    H    ARG   3           HN       ARG   3  37.361   2.213   5.379
   25    HA   ARG   3           HA       ARG   3  38.941   2.550   3.711
   26    HB2  ARG   3           HB2      ARG   3  37.846   0.392   2.657
   27    HB3  ARG   3           HB1      ARG   3  37.075   1.541   1.539
   28    HG2  ARG   3           HG2      ARG   3  39.351   2.480   1.016
   29    HG3  ARG   3           HG1      ARG   3  40.067   1.196   2.021
   30    HD2  ARG   3           HD2      ARG   3  39.007  -0.522   0.580
   31    HD3  ARG   3           HD1      ARG   3  38.303   0.763  -0.430
   32    HE   ARG   3           HE       ARG   3  41.177   1.060  -0.224
   33   HH11  ARG   3          HH11      ARG   3  39.663   1.497  -2.744
   34   HH12  ARG   3          HH12      ARG   3  40.122   0.127  -3.701
   35   HH21  ARG   3          HH21      ARG   3  41.338  -1.683  -1.005
   36   HH22  ARG   3          HH22      ARG   3  41.068  -1.673  -2.716
   37    H    ARG   4           HN       ARG   4  35.704   3.633   3.692
   38    HA   ARG   4           HA       ARG   4  36.553   6.232   2.590
   39    HB2  ARG   4           HB2      ARG   4  34.695   6.252   0.890
   40    HB3  ARG   4           HB1      ARG   4  36.018   5.126   0.503
   41    HG2  ARG   4           HG2      ARG   4  34.714   3.248   1.434
   42    HG3  ARG   4           HG1      ARG   4  33.396   4.365   1.863
   43    HD2  ARG   4           HD2      ARG   4  33.266   5.005  -0.593
   44    HD3  ARG   4           HD1      ARG   4  34.401   3.674  -0.928
   45    HE   ARG   4           HE       ARG   4  32.109   2.780   0.623
   46   HH11  ARG   4          HH11      ARG   4  33.551   1.343  -1.656
   47   HH12  ARG   4          HH12      ARG   4  32.314   1.322  -2.868
   48   HH21  ARG   4          HH21      ARG   4  30.373   3.734  -1.308
   49   HH22  ARG   4          HH22      ARG   4  30.514   2.675  -2.670
   50    H    ILE   5           HN       ILE   5  35.520   5.060   5.115
   51    HA   ILE   5           HA       ILE   5  32.760   5.696   5.469
   52    HB   ILE   5           HB       ILE   5  34.166   4.413   7.115
   53   HG12  ILE   5          HG12      ILE   5  32.825   6.903   8.269
   54   HG13  ILE   5          HG11      ILE   5  31.958   5.456   7.707
   55   HG21  ILE   5          HG21      ILE   5  36.109   6.089   6.934
   56   HG22  ILE   5          HG22      ILE   5  35.701   5.530   8.572
   57   HG23  ILE   5          HG23      ILE   5  35.172   7.138   8.023
   58   HD11  ILE   5           HD1      ILE   5  33.461   4.131   9.354
   59   HD12  ILE   5           HD2      ILE   5  32.184   5.149  10.057
   60   HD13  ILE   5           HD3      ILE   5  33.871   5.715  10.055
   61    H    GLY   6           HN       GLY   6  35.695   7.666   5.537
   62    HA2  GLY   6           HA1      GLY   6  34.348  10.083   4.951
   63    HA3  GLY   6           HA2      GLY   6  34.534  10.003   6.714
   64    H    LYS   7           HN       LYS   7  36.926   8.310   4.938
   65    HA   LYS   7           HA       LYS   7  39.043   9.954   5.958
   66    HB2  LYS   7           HB2      LYS   7  39.150   7.505   5.226
   67    HB3  LYS   7           HB1      LYS   7  39.227   8.103   3.551
   68    HG2  LYS   7           HG2      LYS   7  41.199   9.573   4.330
   69    HG3  LYS   7           HG1      LYS   7  41.206   8.589   5.813
   70    HD2  LYS   7           HD2      LYS   7  41.528   7.552   2.960
   71    HD3  LYS   7           HD1      LYS   7  42.812   7.674   4.186
   72    HE2  LYS   7           HE2      LYS   7  41.283   6.163   5.656
   73    HE3  LYS   7           HE1      LYS   7  40.405   5.822   4.144
   74    HZ1  LYS   7           HZ1      LYS   7  42.275   4.857   3.193
   75    HZ2  LYS   7           HZ2      LYS   7  42.335   4.298   4.795
   76    HZ3  LYS   7           HZ3      LYS   7  43.350   5.566   4.297
   77    H    GLY   8           HN       GLY   8  38.626  12.111   5.384
   78    HA2  GLY   8           HA1      GLY   8  38.257  12.895   2.619
   79    HA3  GLY   8           HA2      GLY   8  38.612  13.966   3.989
   80    H    VAL   9           HN       VAL   9  39.698  13.120   1.059
   81    HA   VAL   9           HA       VAL   9  42.500  12.623   1.537
   82    HB   VAL   9           HB       VAL   9  41.096  13.813  -0.900
   83   HG11  VAL   9          HG11      VAL   9  43.209  12.941  -2.059
   84   HG12  VAL   9          HG12      VAL   9  43.926  12.783  -0.437
   85   HG13  VAL   9          HG13      VAL   9  43.432  14.382  -1.041
   86   HG21  VAL   9          HG21      VAL   9  41.172  11.544  -1.775
   87   HG22  VAL   9          HG22      VAL   9  40.399  11.493  -0.173
   88   HG23  VAL   9          HG23      VAL   9  42.093  10.982  -0.361
   89    H    LYS  10           HN       LYS  10  41.441  15.478  -0.294
   90    HA   LYS  10           HA       LYS  10  42.313  17.407   1.672
   91    HB2  LYS  10           HB2      LYS  10  44.526  16.382   1.025
   92    HB3  LYS  10           HB1      LYS  10  44.240  16.954  -0.637
   93    HG2  LYS  10           HG2      LYS  10  44.087  19.279   0.163
   94    HG3  LYS  10           HG1      LYS  10  44.310  18.729   1.842
   95    HD2  LYS  10           HD2      LYS  10  46.539  17.870   1.311
   96    HD3  LYS  10           HD1      LYS  10  46.318  18.282  -0.408
   97    HE2  LYS  10           HE2      LYS  10  47.670  19.980   0.894
   98    HE3  LYS  10           HE1      LYS  10  46.224  20.653   0.102
   99    HZ1  LYS  10           HZ1      LYS  10  46.462  21.391   2.415
  100    HZ2  LYS  10           HZ2      LYS  10  46.369  19.780   2.947
  101    HZ3  LYS  10           HZ3      LYS  10  45.036  20.504   2.181
  102    H    ILE  11           HN       ILE  11  41.440  16.439  -1.564
  103    HA   ILE  11           HA       ILE  11  40.375  19.214  -2.064
  104    HB   ILE  11           HB       ILE  11  41.534  17.437  -4.252
  105   HG12  ILE  11          HG12      ILE  11  42.868  19.695  -2.685
  106   HG13  ILE  11          HG11      ILE  11  43.354  17.983  -2.694
  107   HG21  ILE  11          HG21      ILE  11  41.090  20.450  -4.198
  108   HG22  ILE  11          HG22      ILE  11  39.829  19.310  -4.726
  109   HG23  ILE  11          HG23      ILE  11  41.369  19.404  -5.610
  110   HD11  ILE  11           HD1      ILE  11  44.837  19.011  -4.237
  111   HD12  ILE  11           HD2      ILE  11  43.550  20.017  -4.940
  112   HD13  ILE  11           HD3      ILE  11  43.596  18.268  -5.272
  113    H    ILE  12           HN       ILE  12  40.336  15.791  -3.154
  114    HA   ILE  12           HA       ILE  12  37.611  16.057  -4.211
  115    HB   ILE  12           HB       ILE  12  39.287  13.601  -3.602
  116   HG12  ILE  12          HG12      ILE  12  40.549  14.959  -5.129
  117   HG13  ILE  12          HG11      ILE  12  39.815  13.666  -6.097
  118   HG21  ILE  12          HG21      ILE  12  37.120  12.761  -3.936
  119   HG22  ILE  12          HG22      ILE  12  37.748  12.717  -5.595
  120   HG23  ILE  12          HG23      ILE  12  36.673  14.039  -5.084
  121   HD11  ILE  12           HD1      ILE  12  37.884  15.402  -6.514
  122   HD12  ILE  12           HD2      ILE  12  39.415  15.600  -7.393
  123   HD13  ILE  12           HD3      ILE  12  39.074  16.606  -5.968
  124    H    GLY  13           HN       GLY  13  38.414  13.242  -2.234
  125    HA2  GLY  13           HA1      GLY  13  35.998  13.307  -0.741
  126    HA3  GLY  13           HA2      GLY  13  37.488  12.467  -0.257
  127    H    GLY  14           HN       GLY  14  38.613  15.290  -0.839
  128    HA2  GLY  14           HA1      GLY  14  38.670  16.172   1.965
  129    HA3  GLY  14           HA2      GLY  14  39.543  16.892   0.593
  130    H    ALA  15           HN       ALA  15  37.551  17.478  -1.228
  131    HA   ALA  15           HA       ALA  15  36.179  19.706   0.218
  132    HB1  ALA  15           HB1      ALA  15  37.242  20.071  -2.023
  133    HB2  ALA  15           HB2      ALA  15  35.509  20.462  -1.987
  134    HB3  ALA  15           HB3      ALA  15  36.058  18.941  -2.725
  135    H    ALA  16           HN       ALA  16  35.594  16.870   0.719
  136    HA   ALA  16           HA       ALA  16  33.678  15.729   1.318
  137    HB1  ALA  16           HB1      ALA  16  31.568  16.730   1.288
  138    HB2  ALA  16           HB2      ALA  16  31.883  17.608  -0.227
  139    HB3  ALA  16           HB3      ALA  16  32.638  18.151   1.290
  140    H    LEU  17           HN       LEU  17  35.312  15.154  -0.972
  141    HA   LEU  17           HA       LEU  17  35.204  13.824  -2.890
  142    HB2  LEU  17           HB2      LEU  17  33.726  12.536  -1.124
  143    HB3  LEU  17           HB1      LEU  17  32.366  13.055  -2.140
  144    HG   LEU  17           HG       LEU  17  33.907  12.082  -4.123
  145   HD11  LEU  17          HD11      LEU  17  34.733  10.267  -1.820
  146   HD12  LEU  17          HD12      LEU  17  35.765  11.597  -2.389
  147   HD13  LEU  17          HD13      LEU  17  35.334  10.273  -3.495
  148   HD21  LEU  17          HD21      LEU  17  32.257  10.423  -2.164
  149   HD22  LEU  17          HD22      LEU  17  32.813   9.821  -3.744
  150   HD23  LEU  17          HD23      LEU  17  31.694  11.203  -3.660
  151    H    ASP  18           HN       ASP  18  33.702  16.597  -2.619
  152    HA   ASP  18           HA       ASP  18  32.608  18.017  -4.079
  153    HB2  ASP  18           HB2      ASP  18  33.361  15.989  -6.220
  154    HB3  ASP  18           HB1      ASP  18  32.969  17.707  -6.456
  155    H    HIS  19           HN       HIS  19  31.894  14.985  -5.850
  156    HA   HIS  19           HA       HIS  19  29.206  15.583  -6.371
  157    HB2  HIS  19           HB2      HIS  19  30.505  13.683  -7.354
  158    HB3  HIS  19           HB1      HIS  19  30.333  12.812  -5.811
  159    HD1  HIS  19           HD1      HIS  19  28.037  11.811  -5.217
  160    HD2  HIS  19           HD2      HIS  19  28.000  14.067  -8.766
  161    HE1  HIS  19           HE1      HIS  19  25.820  11.339  -6.398
  162    H    LEU  20           HN       LEU  20  30.592  13.864  -3.551
  163    HA   LEU  20           HA       LEU  20  28.413  14.778  -1.860
  164    HB2  LEU  20           HB2      LEU  20  27.534  12.734  -3.311
  165    HB3  LEU  20           HB1      LEU  20  28.472  11.759  -2.160
  166    HG   LEU  20           HG       LEU  20  26.233  13.728  -1.495
  167   HD11  LEU  20          HD11      LEU  20  25.041  11.731  -0.745
  168   HD12  LEU  20          HD12      LEU  20  26.461  10.713  -1.085
  169   HD13  LEU  20          HD13      LEU  20  25.579  11.485  -2.424
  170   HD21  LEU  20          HD21      LEU  20  26.601  12.727   0.868
  171   HD22  LEU  20          HD22      LEU  20  27.797  13.917   0.305
  172   HD23  LEU  20          HD23      LEU  20  28.182  12.178   0.262
  Start of MODEL   27
    1    H1   TRP   1           HT1      TRP   1  33.970  18.969  16.389
    2    H2   TRP   1           HT2      TRP   1  35.039  20.155  16.972
    3    H3   TRP   1           HT3      TRP   1  35.642  18.699  16.334
    4    HA   TRP   1           HA       TRP   1  33.958  20.384  14.657
    5    HB2  TRP   1           HB2      TRP   1  36.907  20.864  15.243
    6    HB3  TRP   1           HB1      TRP   1  35.988  21.620  13.920
    7    HD1  TRP   1           HD1      TRP   1  36.513  21.741  17.672
    8    HE1  TRP   1           HE1      TRP   1  35.258  23.781  18.684
    9    HE3  TRP   1           HE3      TRP   1  33.840  23.171  13.547
   10    HZ2  TRP   1           HZ2      TRP   1  33.355  25.751  17.792
   11    HZ3  TRP   1           HZ3      TRP   1  32.311  25.134  13.650
   12    HH2  TRP   1           HH2      TRP   1  32.067  26.424  15.766
   13    H    LEU   2           HN       LEU   2  33.925  17.731  14.475
   14    HA   LEU   2           HA       LEU   2  34.323  15.989  12.997
   15    HB2  LEU   2           HB2      LEU   2  35.807  17.977  11.260
   16    HB3  LEU   2           HB1      LEU   2  34.969  16.494  10.756
   17    HG   LEU   2           HG       LEU   2  33.659  18.995  11.918
   18   HD11  LEU   2          HD11      LEU   2  32.652  19.165   9.655
   19   HD12  LEU   2          HD12      LEU   2  33.591  17.746   9.135
   20   HD13  LEU   2          HD13      LEU   2  34.428  19.251   9.585
   21   HD21  LEU   2          HD21      LEU   2  32.583  16.251  11.150
   22   HD22  LEU   2          HD22      LEU   2  31.538  17.691  11.151
   23   HD23  LEU   2          HD23      LEU   2  32.322  17.164  12.656
   24    H    ARG   3           HN       ARG   3  36.756  17.670  14.536
   25    HA   ARG   3           HA       ARG   3  38.875  17.073  15.224
   26    HB2  ARG   3           HB2      ARG   3  38.426  14.348  13.955
   27    HB3  ARG   3           HB1      ARG   3  39.524  14.773  15.284
   28    HG2  ARG   3           HG2      ARG   3  37.550  15.403  16.681
   29    HG3  ARG   3           HG1      ARG   3  36.477  14.868  15.367
   30    HD2  ARG   3           HD2      ARG   3  37.407  12.592  15.500
   31    HD3  ARG   3           HD1      ARG   3  38.536  13.113  16.774
   32    HE   ARG   3           HE       ARG   3  36.761  12.787  18.280
   33   HH11  ARG   3          HH11      ARG   3  35.216  15.129  17.177
   34   HH12  ARG   3          HH12      ARG   3  33.712  14.388  16.745
   35   HH21  ARG   3          HH21      ARG   3  34.970  11.158  16.849
   36   HH22  ARG   3          HH22      ARG   3  33.573  12.139  16.558
   37    H    ARG   4           HN       ARG   4  38.659  15.066  12.257
   38    HA   ARG   4           HA       ARG   4  41.231  16.050  11.340
   39    HB2  ARG   4           HB2      ARG   4  39.054  14.462   9.924
   40    HB3  ARG   4           HB1      ARG   4  40.686  14.755   9.278
   41    HG2  ARG   4           HG2      ARG   4  41.640  13.693  11.351
   42    HG3  ARG   4           HG1      ARG   4  39.982  13.286  11.855
   43    HD2  ARG   4           HD2      ARG   4  39.661  11.963   9.799
   44    HD3  ARG   4           HD1      ARG   4  41.296  12.398   9.248
   45    HE   ARG   4           HE       ARG   4  41.625  11.237  11.789
   46   HH11  ARG   4          HH11      ARG   4  41.963  10.414   8.637
   47   HH12  ARG   4          HH12      ARG   4  41.612   8.727   8.815
   48   HH21  ARG   4          HH21      ARG   4  40.461   9.039  12.071
   49   HH22  ARG   4          HH22      ARG   4  40.759   7.949  10.759
   50    H    ILE   5           HN       ILE   5  38.594  17.793  11.675
   51    HA   ILE   5           HA       ILE   5  37.477  19.447  10.445
   52    HB   ILE   5           HB       ILE   5  39.058  21.222   9.645
   53   HG12  ILE   5          HG12      ILE   5  41.243  19.271  10.522
   54   HG13  ILE   5          HG11      ILE   5  40.818  19.570   8.823
   55   HG21  ILE   5          HG21      ILE   5  38.372  20.882  12.076
   56   HG22  ILE   5          HG22      ILE   5  39.909  21.742  11.846
   57   HG23  ILE   5          HG23      ILE   5  39.912  20.025  12.317
   58   HD11  ILE   5           HD1      ILE   5  42.020  21.496  10.839
   59   HD12  ILE   5           HD2      ILE   5  41.214  22.083   9.364
   60   HD13  ILE   5           HD3      ILE   5  42.642  21.030   9.240
   61    H    GLY   6           HN       GLY   6  37.924  16.969   8.875
   62    HA2  GLY   6           HA1      GLY   6  36.786  17.508   6.485
   63    HA3  GLY   6           HA2      GLY   6  38.466  17.967   6.139
   64    H    LYS   7           HN       LYS   7  36.696  15.288   7.767
   65    HA   LYS   7           HA       LYS   7  38.649  13.303   7.406
   66    HB2  LYS   7           HB2      LYS   7  36.549  11.730   7.274
   67    HB3  LYS   7           HB1      LYS   7  36.817  12.688   8.748
   68    HG2  LYS   7           HG2      LYS   7  35.183  14.318   8.123
   69    HG3  LYS   7           HG1      LYS   7  35.102  13.712   6.453
   70    HD2  LYS   7           HD2      LYS   7  34.119  11.597   7.236
   71    HD3  LYS   7           HD1      LYS   7  34.260  12.138   8.926
   72    HE2  LYS   7           HE2      LYS   7  32.689  13.678   6.821
   73    HE3  LYS   7           HE1      LYS   7  31.953  12.441   7.868
   74    HZ1  LYS   7           HZ1      LYS   7  31.757  14.725   8.749
   75    HZ2  LYS   7           HZ2      LYS   7  33.450  14.816   8.860
   76    HZ3  LYS   7           HZ3      LYS   7  32.593  13.686   9.797
   77    H    GLY   8           HN       GLY   8  39.744  13.388   5.467
   78    HA2  GLY   8           HA1      GLY   8  38.777  11.809   3.345
   79    HA3  GLY   8           HA2      GLY   8  38.420  13.494   2.917
   80    H    VAL   9           HN       VAL   9  39.864  13.055   1.095
   81    HA   VAL   9           HA       VAL   9  42.705  12.636   1.650
   82    HB   VAL   9           HB       VAL   9  41.294  13.558  -0.897
   83   HG11  VAL   9          HG11      VAL   9  43.458  12.666  -1.937
   84   HG12  VAL   9          HG12      VAL   9  44.140  12.654  -0.293
   85   HG13  VAL   9          HG13      VAL   9  43.618  14.188  -1.028
   86   HG21  VAL   9          HG21      VAL   9  42.344  10.815  -0.067
   87   HG22  VAL   9          HG22      VAL   9  41.503  11.216  -1.583
   88   HG23  VAL   9          HG23      VAL   9  40.631  11.293  -0.034
   89    H    LYS  10           HN       LYS  10  41.412  15.282  -0.366
   90    HA   LYS  10           HA       LYS  10  42.231  17.392   1.433
   91    HB2  LYS  10           HB2      LYS  10  44.479  16.470   0.757
   92    HB3  LYS  10           HB1      LYS  10  44.090  16.902  -0.925
   93    HG2  LYS  10           HG2      LYS  10  43.855  19.259  -0.312
   94    HG3  LYS  10           HG1      LYS  10  44.099  18.868   1.407
   95    HD2  LYS  10           HD2      LYS  10  46.372  18.007   0.880
   96    HD3  LYS  10           HD1      LYS  10  46.130  18.439  -0.831
   97    HE2  LYS  10           HE2      LYS  10  46.095  20.374   1.528
   98    HE3  LYS  10           HE1      LYS  10  47.400  20.209   0.329
   99    HZ1  LYS  10           HZ1      LYS  10  46.283  21.771  -0.784
  100    HZ2  LYS  10           HZ2      LYS  10  44.859  21.557   0.116
  101    HZ3  LYS  10           HZ3      LYS  10  45.192  20.542  -1.205
  102    H    ILE  11           HN       ILE  11  41.358  16.179  -1.736
  103    HA   ILE  11           HA       ILE  11  40.180  18.881  -2.409
  104    HB   ILE  11           HB       ILE  11  41.095  16.814  -4.450
  105   HG12  ILE  11          HG12      ILE  11  42.616  19.211  -3.326
  106   HG13  ILE  11          HG11      ILE  11  43.062  17.499  -3.138
  107   HG21  ILE  11          HG21      ILE  11  40.718  19.822  -4.739
  108   HG22  ILE  11          HG22      ILE  11  39.389  18.667  -4.996
  109   HG23  ILE  11          HG23      ILE  11  40.837  18.599  -6.026
  110   HD11  ILE  11           HD1      ILE  11  44.417  18.254  -4.937
  111   HD12  ILE  11           HD2      ILE  11  43.092  19.197  -5.656
  112   HD13  ILE  11           HD3      ILE  11  43.068  17.417  -5.741
  113    H    ILE  12           HN       ILE  12  39.993  15.371  -3.168
  114    HA   ILE  12           HA       ILE  12  37.198  15.587  -3.979
  115    HB   ILE  12           HB       ILE  12  38.868  13.167  -3.219
  116   HG12  ILE  12          HG12      ILE  12  39.988  14.363  -5.005
  117   HG13  ILE  12          HG11      ILE  12  39.227  12.924  -5.709
  118   HG21  ILE  12          HG21      ILE  12  36.706  12.284  -3.297
  119   HG22  ILE  12          HG22      ILE  12  37.123  12.150  -5.018
  120   HG23  ILE  12          HG23      ILE  12  36.119  13.504  -4.448
  121   HD11  ILE  12           HD1      ILE  12  37.210  14.544  -6.215
  122   HD12  ILE  12           HD2      ILE  12  38.655  14.620  -7.245
  123   HD13  ILE  12           HD3      ILE  12  38.411  15.833  -5.970
  124    H    GLY  13           HN       GLY  13  37.989  12.943  -1.810
  125    HA2  GLY  13           HA1      GLY  13  35.723  13.261  -0.166
  126    HA3  GLY  13           HA2      GLY  13  37.222  12.441   0.320
  127    H    GLY  14           HN       GLY  14  38.421  15.119  -0.588
  128    HA2  GLY  14           HA1      GLY  14  38.634  16.293   2.089
  129    HA3  GLY  14           HA2      GLY  14  39.441  16.849   0.605
  130    H    ALA  15           HN       ALA  15  37.364  17.297  -1.156
  131    HA   ALA  15           HA       ALA  15  36.093  19.677   0.150
  132    HB1  ALA  15           HB1      ALA  15  35.824  18.683  -2.713
  133    HB2  ALA  15           HB2      ALA  15  37.079  19.821  -2.159
  134    HB3  ALA  15           HB3      ALA  15  35.363  20.276  -2.076
  135    H    ALA  16           HN       ALA  16  35.500  16.909   0.913
  136    HA   ALA  16           HA       ALA  16  33.603  15.821   1.657
  137    HB1  ALA  16           HB1      ALA  16  31.504  16.853   1.659
  138    HB2  ALA  16           HB2      ALA  16  31.767  17.642   0.087
  139    HB3  ALA  16           HB3      ALA  16  32.596  18.252   1.538
  140    H    LEU  17           HN       LEU  17  35.115  15.057  -0.631
  141    HA   LEU  17           HA       LEU  17  34.919  13.560  -2.398
  142    HB2  LEU  17           HB2      LEU  17  33.078  12.715  -0.540
  143    HB3  LEU  17           HB1      LEU  17  32.012  12.962  -1.937
  144    HG   LEU  17           HG       LEU  17  34.562  11.274  -1.948
  145   HD11  LEU  17          HD11      LEU  17  33.020   9.354  -2.046
  146   HD12  LEU  17          HD12      LEU  17  31.624  10.453  -1.953
  147   HD13  LEU  17          HD13      LEU  17  32.732  10.303  -0.568
  148   HD21  LEU  17          HD21      LEU  17  34.077  12.199  -4.157
  149   HD22  LEU  17          HD22      LEU  17  32.362  11.743  -4.011
  150   HD23  LEU  17          HD23      LEU  17  33.611  10.483  -4.146
  151    H    ASP  18           HN       ASP  18  34.117  16.442  -2.592
  152    HA   ASP  18           HA       ASP  18  33.285  17.873  -4.206
  153    HB2  ASP  18           HB2      ASP  18  34.690  16.397  -5.669
  154    HB3  ASP  18           HB1      ASP  18  33.243  15.416  -6.001
  155    H    HIS  19           HN       HIS  19  31.613  14.933  -5.381
  156    HA   HIS  19           HA       HIS  19  29.133  16.166  -5.815
  157    HB2  HIS  19           HB2      HIS  19  29.425  13.305  -4.836
  158    HB3  HIS  19           HB1      HIS  19  28.205  13.973  -5.948
  159    HD1  HIS  19           HD1      HIS  19  31.924  13.140  -5.744
  160    HD2  HIS  19           HD2      HIS  19  28.991  14.004  -8.629
  161    HE1  HIS  19           HE1      HIS  19  32.986  12.781  -8.040
  162    H    LEU  20           HN       LEU  20  29.854  14.017  -3.018
  163    HA   LEU  20           HA       LEU  20  27.539  14.967  -1.561
  164    HB2  LEU  20           HB2      LEU  20  28.356  12.742  -1.128
  165    HB3  LEU  20           HB1      LEU  20  29.987  13.343  -0.767
  166    HG   LEU  20           HG       LEU  20  29.234  14.393   1.284
  167   HD11  LEU  20          HD11      LEU  20  26.746  14.067   1.947
  168   HD12  LEU  20          HD12      LEU  20  26.458  13.732   0.222
  169   HD13  LEU  20          HD13      LEU  20  27.102  15.312   0.727
  170   HD21  LEU  20          HD21      LEU  20  27.965  11.635   0.970
  171   HD22  LEU  20          HD22      LEU  20  28.364  12.419   2.517
  172   HD23  LEU  20          HD23      LEU  20  29.663  11.961   1.389
  Start of MODEL   28
    1    H1   TRP   1           HT1      TRP   1  39.190  17.202  10.110
    2    H2   TRP   1           HT2      TRP   1  39.636  16.786   8.524
    3    H3   TRP   1           HT3      TRP   1  40.728  16.555   9.806
    4    HA   TRP   1           HA       TRP   1  39.985  14.554  10.152
    5    HB2  TRP   1           HB2      TRP   1  37.290  15.951  10.365
    6    HB3  TRP   1           HB1      TRP   1  37.559  14.236  10.759
    7    HD1  TRP   1           HD1      TRP   1  39.562  13.813  12.667
    8    HE1  TRP   1           HE1      TRP   1  40.044  15.144  14.848
    9    HE3  TRP   1           HE3      TRP   1  37.150  18.174  11.499
   10    HZ2  TRP   1           HZ2      TRP   1  39.447  17.753  15.910
   11    HZ3  TRP   1           HZ3      TRP   1  37.119  20.071  13.111
   12    HH2  TRP   1           HH2      TRP   1  38.265  19.865  15.314
   13    H    LEU   2           HN       LEU   2  38.726  12.727   9.247
   14    HA   LEU   2           HA       LEU   2  38.706  12.913   6.346
   15    HB2  LEU   2           HB2      LEU   2  37.542  10.685   8.051
   16    HB3  LEU   2           HB1      LEU   2  38.162  10.578   6.387
   17    HG   LEU   2           HG       LEU   2  39.823  11.243   8.862
   18   HD11  LEU   2          HD11      LEU   2  40.795   9.016   8.539
   19   HD12  LEU   2          HD12      LEU   2  39.775   8.749   7.105
   20   HD13  LEU   2          HD13      LEU   2  39.030   8.872   8.718
   21   HD21  LEU   2          HD21      LEU   2  41.716  10.772   7.129
   22   HD22  LEU   2          HD22      LEU   2  40.876  12.335   7.022
   23   HD23  LEU   2          HD23      LEU   2  40.462  11.025   5.891
   24    H    ARG   3           HN       ARG   3  36.531  13.891   8.678
   25    HA   ARG   3           HA       ARG   3  34.339  14.603   8.569
   26    HB2  ARG   3           HB2      ARG   3  34.420  14.117   5.573
   27    HB3  ARG   3           HB1      ARG   3  33.408  15.264   6.478
   28    HG2  ARG   3           HG2      ARG   3  35.560  16.397   7.245
   29    HG3  ARG   3           HG1      ARG   3  36.422  15.379   6.067
   30    HD2  ARG   3           HD2      ARG   3  35.917  17.529   5.026
   31    HD3  ARG   3           HD1      ARG   3  34.912  16.271   4.266
   32    HE   ARG   3           HE       ARG   3  33.539  17.539   6.491
   33   HH11  ARG   3          HH11      ARG   3  31.531  18.364   5.731
   34   HH12  ARG   3          HH12      ARG   3  31.505  19.181   4.204
   35   HH21  ARG   3          HH21      ARG   3  34.785  18.377   3.417
   36   HH22  ARG   3          HH22      ARG   3  33.347  19.189   2.895
   37    H    ARG   4           HN       ARG   4  34.315  12.263   5.840
   38    HA   ARG   4           HA       ARG   4  31.882  11.037   6.841
   39    HB2  ARG   4           HB2      ARG   4  33.840  10.020   4.744
   40    HB3  ARG   4           HB1      ARG   4  32.160   9.483   4.975
   41    HG2  ARG   4           HG2      ARG   4  31.329  11.728   4.443
   42    HG3  ARG   4           HG1      ARG   4  32.996  12.340   4.310
   43    HD2  ARG   4           HD2      ARG   4  31.974  11.820   2.080
   44    HD3  ARG   4           HD1      ARG   4  33.433  10.856   2.411
   45    HE   ARG   4           HE       ARG   4  31.237   9.327   3.319
   46   HH11  ARG   4          HH11      ARG   4  29.424   9.189   1.545
   47   HH12  ARG   4          HH12      ARG   4  30.051   8.645   0.024
   48   HH21  ARG   4          HH21      ARG   4  33.355   9.278   0.859
   49   HH22  ARG   4          HH22      ARG   4  32.276   8.697  -0.363
   50    H    ILE   5           HN       ILE   5  34.856  10.931   8.157
   51    HA   ILE   5           HA       ILE   5  36.053   9.362   9.396
   52    HB   ILE   5           HB       ILE   5  33.330   8.138  10.006
   53   HG12  ILE   5          HG12      ILE   5  34.603  10.665  11.158
   54   HG13  ILE   5          HG11      ILE   5  33.152  10.601  10.133
   55   HG21  ILE   5          HG21      ILE   5  34.318   7.557  12.110
   56   HG22  ILE   5          HG22      ILE   5  35.715   8.625  11.838
   57   HG23  ILE   5          HG23      ILE   5  35.536   7.133  10.887
   58   HD11  ILE   5           HD1      ILE   5  33.502   9.596  12.975
   59   HD12  ILE   5           HD2      ILE   5  32.179   9.001  11.941
   60   HD13  ILE   5           HD3      ILE   5  32.291  10.731  12.340
   61    H    GLY   6           HN       GLY   6  36.943   8.421   7.398
   62    HA2  GLY   6           HA1      GLY   6  37.032   5.645   7.438
   63    HA3  GLY   6           HA2      GLY   6  35.712   6.017   6.311
   64    H    LYS   7           HN       LYS   7  36.813   8.457   5.273
   65    HA   LYS   7           HA       LYS   7  39.482   7.951   4.259
   66    HB2  LYS   7           HB2      LYS   7  38.212   6.209   2.999
   67    HB3  LYS   7           HB1      LYS   7  37.180   7.491   2.320
   68    HG2  LYS   7           HG2      LYS   7  39.057   8.523   1.204
   69    HG3  LYS   7           HG1      LYS   7  40.215   7.470   2.054
   70    HD2  LYS   7           HD2      LYS   7  39.197   5.485   0.941
   71    HD3  LYS   7           HD1      LYS   7  38.097   6.567   0.052
   72    HE2  LYS   7           HE2      LYS   7  41.142   6.519  -0.111
   73    HE3  LYS   7           HE1      LYS   7  39.994   6.042  -1.386
   74    HZ1  LYS   7           HZ1      LYS   7  40.173   8.151  -2.052
   75    HZ2  LYS   7           HZ2      LYS   7  40.884   8.667  -0.598
   76    HZ3  LYS   7           HZ3      LYS   7  39.193   8.549  -0.726
   77    H    GLY   8           HN       GLY   8  40.282   9.658   3.006
   78    HA2  GLY   8           HA1      GLY   8  38.714  11.726   1.865
   79    HA3  GLY   8           HA2      GLY   8  39.089  12.201   3.532
   80    H    VAL   9           HN       VAL   9  39.985  13.821   1.621
   81    HA   VAL   9           HA       VAL   9  42.932  13.433   1.811
   82    HB   VAL   9           HB       VAL   9  42.957  14.281  -0.734
   83   HG11  VAL   9          HG11      VAL   9  42.387  11.396   0.082
   84   HG12  VAL   9          HG12      VAL   9  43.983  12.181   0.008
   85   HG13  VAL   9          HG13      VAL   9  43.059  11.899  -1.487
   86   HG21  VAL   9          HG21      VAL   9  40.420  12.588  -0.730
   87   HG22  VAL   9          HG22      VAL   9  41.113  13.538  -2.067
   88   HG23  VAL   9          HG23      VAL   9  40.366  14.365  -0.681
   89    H    LYS  10           HN       LYS  10  41.594  15.645  -0.517
   90    HA   LYS  10           HA       LYS  10  41.172  17.852   1.323
   91    HB2  LYS  10           HB2      LYS  10  43.716  17.514   1.342
   92    HB3  LYS  10           HB1      LYS  10  43.699  18.032  -0.360
   93    HG2  LYS  10           HG2      LYS  10  42.515  20.141   0.362
   94    HG3  LYS  10           HG1      LYS  10  42.737  19.630   2.054
   95    HD2  LYS  10           HD2      LYS  10  45.210  19.505   1.638
   96    HD3  LYS  10           HD1      LYS  10  44.931  20.161   0.006
   97    HE2  LYS  10           HE2      LYS  10  45.541  21.994   1.509
   98    HE3  LYS  10           HE1      LYS  10  43.832  22.164   1.047
   99    HZ1  LYS  10           HZ1      LYS  10  44.156  20.526   3.366
  100    HZ2  LYS  10           HZ2      LYS  10  43.201  21.914   3.148
  101    HZ3  LYS  10           HZ3      LYS  10  44.833  22.063   3.600
  102    H    ILE  11           HN       ILE  11  41.501  16.428  -1.813
  103    HA   ILE  11           HA       ILE  11  40.285  18.860  -3.126
  104    HB   ILE  11           HB       ILE  11  41.565  16.467  -4.488
  105   HG12  ILE  11          HG12      ILE  11  42.834  19.089  -3.571
  106   HG13  ILE  11          HG11      ILE  11  43.247  17.454  -3.005
  107   HG21  ILE  11          HG21      ILE  11  41.645  17.898  -6.419
  108   HG22  ILE  11          HG22      ILE  11  41.263  19.344  -5.454
  109   HG23  ILE  11          HG23      ILE  11  40.016  18.108  -5.740
  110   HD11  ILE  11           HD1      ILE  11  43.758  18.701  -5.727
  111   HD12  ILE  11           HD2      ILE  11  43.760  16.933  -5.507
  112   HD13  ILE  11           HD3      ILE  11  44.922  17.945  -4.616
  113    H    ILE  12           HN       ILE  12  40.170  15.269  -3.071
  114    HA   ILE  12           HA       ILE  12  37.480  15.354  -4.365
  115    HB   ILE  12           HB       ILE  12  39.247  13.007  -3.581
  116   HG12  ILE  12          HG12      ILE  12  40.442  14.362  -5.196
  117   HG13  ILE  12          HG11      ILE  12  39.831  12.921  -6.035
  118   HG21  ILE  12          HG21      ILE  12  36.600  13.258  -5.036
  119   HG22  ILE  12          HG22      ILE  12  37.152  12.018  -3.892
  120   HG23  ILE  12          HG23      ILE  12  37.730  11.991  -5.570
  121   HD11  ILE  12           HD1      ILE  12  37.779  14.437  -6.651
  122   HD12  ILE  12           HD2      ILE  12  39.304  14.678  -7.525
  123   HD13  ILE  12           HD3      ILE  12  38.849  15.787  -6.214
  124    H    GLY  13           HN       GLY  13  38.229  12.645  -2.295
  125    HA2  GLY  13           HA1      GLY  13  35.865  12.796  -0.777
  126    HA3  GLY  13           HA2      GLY  13  37.362  12.002  -0.243
  127    H    GLY  14           HN       GLY  14  38.526  14.785  -0.890
  128    HA2  GLY  14           HA1      GLY  14  38.405  15.798   1.878
  129    HA3  GLY  14           HA2      GLY  14  39.404  16.411   0.547
  130    H    ALA  15           HN       ALA  15  37.603  16.948  -1.473
  131    HA   ALA  15           HA       ALA  15  36.218  19.308  -0.279
  132    HB1  ALA  15           HB1      ALA  15  36.131  18.364  -3.163
  133    HB2  ALA  15           HB2      ALA  15  37.461  19.349  -2.501
  134    HB3  ALA  15           HB3      ALA  15  35.803  19.990  -2.526
  135    H    ALA  16           HN       ALA  16  35.508  16.446   0.268
  136    HA   ALA  16           HA       ALA  16  33.490  15.475   0.881
  137    HB1  ALA  16           HB1      ALA  16  31.434  16.546   0.639
  138    HB2  ALA  16           HB2      ALA  16  31.859  17.256  -0.935
  139    HB3  ALA  16           HB3      ALA  16  32.549  17.928   0.560
  140    H    LEU  17           HN       LEU  17  35.239  14.611  -1.195
  141    HA   LEU  17           HA       LEU  17  35.218  13.149  -3.015
  142    HB2  LEU  17           HB2      LEU  17  33.586  12.059  -1.245
  143    HB3  LEU  17           HB1      LEU  17  32.315  12.515  -2.401
  144    HG   LEU  17           HG       LEU  17  33.942  11.328  -4.175
  145   HD11  LEU  17          HD11      LEU  17  34.616   9.749  -1.656
  146   HD12  LEU  17          HD12      LEU  17  35.709  10.978  -2.328
  147   HD13  LEU  17          HD13      LEU  17  35.283   9.546  -3.292
  148   HD21  LEU  17          HD21      LEU  17  31.633  10.588  -3.573
  149   HD22  LEU  17          HD22      LEU  17  32.293   9.720  -2.167
  150   HD23  LEU  17          HD23      LEU  17  32.732   9.210  -3.814
  151    H    ASP  18           HN       ASP  18  33.983  15.989  -3.186
  152    HA   ASP  18           HA       ASP  18  32.950  17.278  -4.819
  153    HB2  ASP  18           HB2      ASP  18  34.021  14.975  -6.491
  154    HB3  ASP  18           HB1      ASP  18  33.269  16.423  -7.202
  155    H    HIS  19           HN       HIS  19  31.477  14.978  -3.438
  156    HA   HIS  19           HA       HIS  19  29.344  14.079  -3.502
  157    HB2  HIS  19           HB2      HIS  19  28.747  16.149  -5.647
  158    HB3  HIS  19           HB1      HIS  19  27.607  15.393  -4.509
  159    HD1  HIS  19           HD1      HIS  19  28.306  18.556  -4.781
  160    HD2  HIS  19           HD2      HIS  19  29.611  15.895  -1.797
  161    HE1  HIS  19           HE1      HIS  19  28.955  19.954  -2.743
  162    H    LEU  20           HN       LEU  20  30.787  12.341  -4.650
  163    HA   LEU  20           HA       LEU  20  29.152  11.317  -6.834
  164    HB2  LEU  20           HB2      LEU  20  30.438  12.821  -8.211
  165    HB3  LEU  20           HB1      LEU  20  31.956  12.344  -7.422
  166    HG   LEU  20           HG       LEU  20  31.868  10.132  -8.412
  167   HD11  LEU  20          HD11      LEU  20  29.052  10.958  -9.221
  168   HD12  LEU  20          HD12      LEU  20  29.564   9.522  -8.302
  169   HD13  LEU  20          HD13      LEU  20  29.911   9.631 -10.042
  170   HD21  LEU  20          HD21      LEU  20  31.884  10.706 -10.827
  171   HD22  LEU  20          HD22      LEU  20  32.710  11.951  -9.860
  172   HD23  LEU  20          HD23      LEU  20  31.060  12.241 -10.464
  Start of MODEL   29
    1    H1   TRP   1           HT1      TRP   1  29.549  14.755  12.936
    2    H2   TRP   1           HT2      TRP   1  28.626  15.320  11.626
    3    H3   TRP   1           HT3      TRP   1  28.355  15.931  13.188
    4    HA   TRP   1           HA       TRP   1  30.460  16.522  11.277
    5    HB2  TRP   1           HB2      TRP   1  30.160  18.787  12.381
    6    HB3  TRP   1           HB1      TRP   1  28.716  18.153  11.555
    7    HD1  TRP   1           HD1      TRP   1  30.078  19.044  14.974
    8    HE1  TRP   1           HE1      TRP   1  28.203  18.846  16.765
    9    HE3  TRP   1           HE3      TRP   1  26.472  16.791  12.123
   10    HZ2  TRP   1           HZ2      TRP   1  25.511  17.839  16.908
   11    HZ3  TRP   1           HZ3      TRP   1  24.257  16.221  13.108
   12    HH2  TRP   1           HH2      TRP   1  23.774  16.743  15.495
   13    H    LEU   2           HN       LEU   2  32.439  15.834  11.826
   14    HA   LEU   2           HA       LEU   2  33.224  15.556  14.640
   15    HB2  LEU   2           HB2      LEU   2  35.052  15.452  12.219
   16    HB3  LEU   2           HB1      LEU   2  35.259  14.656  13.797
   17    HG   LEU   2           HG       LEU   2  33.119  14.032  11.713
   18   HD11  LEU   2          HD11      LEU   2  35.369  13.173  11.164
   19   HD12  LEU   2          HD12      LEU   2  34.285  11.837  11.621
   20   HD13  LEU   2          HD13      LEU   2  35.495  12.440  12.780
   21   HD21  LEU   2          HD21      LEU   2  32.070  13.675  13.828
   22   HD22  LEU   2          HD22      LEU   2  33.568  13.055  14.564
   23   HD23  LEU   2          HD23      LEU   2  32.689  12.074  13.368
   24    H    ARG   3           HN       ARG   3  34.885  17.261  11.978
   25    HA   ARG   3           HA       ARG   3  34.987  19.759  13.554
   26    HB2  ARG   3           HB2      ARG   3  37.005  17.961  14.045
   27    HB3  ARG   3           HB1      ARG   3  37.701  18.806  12.650
   28    HG2  ARG   3           HG2      ARG   3  36.673  20.123  15.212
   29    HG3  ARG   3           HG1      ARG   3  38.381  19.874  14.784
   30    HD2  ARG   3           HD2      ARG   3  36.352  21.692  13.439
   31    HD3  ARG   3           HD1      ARG   3  37.905  22.135  14.181
   32    HE   ARG   3           HE       ARG   3  37.531  21.024  11.483
   33   HH11  ARG   3          HH11      ARG   3  39.612  19.327  12.822
   34   HH12  ARG   3          HH12      ARG   3  41.068  20.197  12.467
   35   HH21  ARG   3          HH21      ARG   3  39.423  23.120  11.587
   36   HH22  ARG   3          HH22      ARG   3  40.961  22.343  11.766
   37    H    ARG   4           HN       ARG   4  35.367  17.804  10.738
   38    HA   ARG   4           HA       ARG   4  35.399  20.275   9.016
   39    HB2  ARG   4           HB2      ARG   4  36.937  17.674   8.632
   40    HB3  ARG   4           HB1      ARG   4  36.711  18.894   7.356
   41    HG2  ARG   4           HG2      ARG   4  37.797  20.601   8.781
   42    HG3  ARG   4           HG1      ARG   4  38.015  19.390  10.069
   43    HD2  ARG   4           HD2      ARG   4  40.101  19.534   8.841
   44    HD3  ARG   4           HD1      ARG   4  39.326  17.989   8.411
   45    HE   ARG   4           HE       ARG   4  39.106  18.796   6.203
   46   HH11  ARG   4          HH11      ARG   4  38.997  20.431   4.635
   47   HH12  ARG   4          HH12      ARG   4  39.430  22.050   5.070
   48   HH21  ARG   4          HH21      ARG   4  39.949  21.299   8.414
   49   HH22  ARG   4          HH22      ARG   4  39.968  22.542   7.208
   50    H    ILE   5           HN       ILE   5  33.733  17.625  10.114
   51    HA   ILE   5           HA       ILE   5  31.863  16.509   9.321
   52    HB   ILE   5           HB       ILE   5  31.720  18.566   7.076
   53   HG12  ILE   5          HG12      ILE   5  30.814  18.806   9.983
   54   HG13  ILE   5          HG11      ILE   5  32.085  19.767   9.193
   55   HG21  ILE   5          HG21      ILE   5  29.484  17.238   8.660
   56   HG22  ILE   5          HG22      ILE   5  30.167  16.511   7.187
   57   HG23  ILE   5          HG23      ILE   5  29.372  18.100   7.107
   58   HD11  ILE   5           HD1      ILE   5  29.089  19.822   8.700
   59   HD12  ILE   5           HD2      ILE   5  30.236  20.452   7.490
   60   HD13  ILE   5           HD3      ILE   5  30.171  21.171   9.117
   61    H    GLY   6           HN       GLY   6  32.874  14.612   8.702
   62    HA2  GLY   6           HA1      GLY   6  33.520  12.967   7.213
   63    HA3  GLY   6           HA2      GLY   6  32.626  13.868   5.974
   64    H    LYS   7           HN       LYS   7  35.703  14.006   7.819
   65    HA   LYS   7           HA       LYS   7  37.050  15.611   5.838
   66    HB2  LYS   7           HB2      LYS   7  39.133  14.771   7.040
   67    HB3  LYS   7           HB1      LYS   7  37.921  15.568   8.071
   68    HG2  LYS   7           HG2      LYS   7  37.097  13.465   8.895
   69    HG3  LYS   7           HG1      LYS   7  38.001  12.552   7.663
   70    HD2  LYS   7           HD2      LYS   7  39.108  12.462   9.898
   71    HD3  LYS   7           HD1      LYS   7  40.135  13.233   8.668
   72    HE2  LYS   7           HE2      LYS   7  39.937  14.395  10.993
   73    HE3  LYS   7           HE1      LYS   7  39.757  15.407   9.541
   74    HZ1  LYS   7           HZ1      LYS   7  37.559  14.259  11.192
   75    HZ2  LYS   7           HZ2      LYS   7  37.332  15.118   9.745
   76    HZ3  LYS   7           HZ3      LYS   7  38.008  15.892  11.099
   77    H    GLY   8           HN       GLY   8  39.191  14.727   4.837
   78    HA2  GLY   8           HA1      GLY   8  39.259  11.960   4.048
   79    HA3  GLY   8           HA2      GLY   8  38.503  12.940   2.776
   80    H    VAL   9           HN       VAL   9  40.087  12.722   1.253
   81    HA   VAL   9           HA       VAL   9  42.884  12.974   1.780
   82    HB   VAL   9           HB       VAL   9  41.359  13.557  -0.800
   83   HG11  VAL   9          HG11      VAL   9  43.618  12.945  -1.814
   84   HG12  VAL   9          HG12      VAL   9  44.304  13.072  -0.177
   85   HG13  VAL   9          HG13      VAL   9  43.582  14.501  -0.954
   86   HG21  VAL   9          HG21      VAL   9  42.028  11.220  -1.363
   87   HG22  VAL   9          HG22      VAL   9  40.962  11.283   0.062
   88   HG23  VAL   9          HG23      VAL   9  42.712  11.040   0.270
   89    H    LYS  10           HN       LYS  10  41.442  15.296  -0.472
   90    HA   LYS  10           HA       LYS  10  41.727  17.605   1.233
   91    HB2  LYS  10           HB2      LYS  10  44.134  17.071   1.023
   92    HB3  LYS  10           HB1      LYS  10  43.986  17.106  -0.750
   93    HG2  LYS  10           HG2      LYS  10  43.410  19.459  -0.730
   94    HG3  LYS  10           HG1      LYS  10  43.275  19.463   1.046
   95    HD2  LYS  10           HD2      LYS  10  45.684  18.916   1.232
   96    HD3  LYS  10           HD1      LYS  10  45.819  18.911  -0.543
   97    HE2  LYS  10           HE2      LYS  10  46.562  21.081   0.206
   98    HE3  LYS  10           HE1      LYS  10  44.949  21.308  -0.510
   99    HZ1  LYS  10           HZ1      LYS  10  45.417  20.883   2.397
  100    HZ2  LYS  10           HZ2      LYS  10  43.971  21.354   1.639
  101    HZ3  LYS  10           HZ3      LYS  10  45.296  22.417   1.683
  102    H    ILE  11           HN       ILE  11  41.472  16.074  -1.903
  103    HA   ILE  11           HA       ILE  11  40.290  18.600  -3.061
  104    HB   ILE  11           HB       ILE  11  41.214  16.149  -4.604
  105   HG12  ILE  11          HG12      ILE  11  42.796  18.641  -3.820
  106   HG13  ILE  11          HG11      ILE  11  43.138  16.968  -3.318
  107   HG21  ILE  11          HG21      ILE  11  41.162  17.613  -6.502
  108   HG22  ILE  11          HG22      ILE  11  41.029  19.063  -5.477
  109   HG23  ILE  11          HG23      ILE  11  39.656  17.939  -5.614
  110   HD11  ILE  11           HD1      ILE  11  43.407  18.208  -6.078
  111   HD12  ILE  11           HD2      ILE  11  43.297  16.443  -5.864
  112   HD13  ILE  11           HD3      ILE  11  44.636  17.349  -5.122
  113    H    ILE  12           HN       ILE  12  39.950  15.017  -3.084
  114    HA   ILE  12           HA       ILE  12  37.152  15.291  -4.040
  115    HB   ILE  12           HB       ILE  12  38.781  12.830  -3.305
  116   HG12  ILE  12          HG12      ILE  12  39.927  13.989  -5.092
  117   HG13  ILE  12          HG11      ILE  12  39.100  12.590  -5.804
  118   HG21  ILE  12          HG21      ILE  12  36.997  11.865  -5.085
  119   HG22  ILE  12          HG22      ILE  12  36.036  13.252  -4.520
  120   HG23  ILE  12          HG23      ILE  12  36.588  12.023  -3.364
  121   HD11  ILE  12           HD1      ILE  12  38.591  14.333  -7.313
  122   HD12  ILE  12           HD2      ILE  12  38.395  15.533  -6.017
  123   HD13  ILE  12           HD3      ILE  12  37.149  14.291  -6.277
  124    H    GLY  13           HN       GLY  13  37.878  12.624  -1.900
  125    HA2  GLY  13           HA1      GLY  13  35.678  13.051  -0.193
  126    HA3  GLY  13           HA2      GLY  13  37.146  12.152   0.252
  127    H    GLY  14           HN       GLY  14  38.459  14.786  -0.659
  128    HA2  GLY  14           HA1      GLY  14  38.740  15.939   2.029
  129    HA3  GLY  14           HA2      GLY  14  39.596  16.428   0.549
  130    H    ALA  15           HN       ALA  15  37.601  17.012  -1.254
  131    HA   ALA  15           HA       ALA  15  36.469  19.471   0.030
  132    HB1  ALA  15           HB1      ALA  15  36.073  18.520  -2.826
  133    HB2  ALA  15           HB2      ALA  15  37.505  19.443  -2.298
  134    HB3  ALA  15           HB3      ALA  15  35.883  20.163  -2.174
  135    H    ALA  16           HN       ALA  16  35.673  16.754   0.803
  136    HA   ALA  16           HA       ALA  16  33.696  15.819   1.544
  137    HB1  ALA  16           HB1      ALA  16  32.008  17.740  -0.070
  138    HB2  ALA  16           HB2      ALA  16  32.867  18.314   1.377
  139    HB3  ALA  16           HB3      ALA  16  31.679  16.998   1.513
  140    H    LEU  17           HN       LEU  17  35.153  14.849  -0.665
  141    HA   LEU  17           HA       LEU  17  34.858  13.322  -2.396
  142    HB2  LEU  17           HB2      LEU  17  33.065  12.527  -0.639
  143    HB3  LEU  17           HB1      LEU  17  31.889  13.196  -1.787
  144    HG   LEU  17           HG       LEU  17  33.298  11.753  -3.571
  145   HD11  LEU  17          HD11      LEU  17  33.732  10.229  -0.960
  146   HD12  LEU  17          HD12      LEU  17  35.010  11.034  -1.898
  147   HD13  LEU  17          HD13      LEU  17  34.134   9.652  -2.593
  148   HD21  LEU  17          HD21      LEU  17  31.344  10.506  -1.582
  149   HD22  LEU  17          HD22      LEU  17  31.736   9.861  -3.193
  150   HD23  LEU  17          HD23      LEU  17  30.900  11.425  -3.040
  151    H    ASP  18           HN       ASP  18  33.893  16.357  -2.482
  152    HA   ASP  18           HA       ASP  18  33.170  17.792  -4.151
  153    HB2  ASP  18           HB2      ASP  18  34.951  16.516  -5.409
  154    HB3  ASP  18           HB1      ASP  18  33.660  15.465  -6.042
  155    H    HIS  19           HN       HIS  19  31.447  15.238  -3.136
  156    HA   HIS  19           HA       HIS  19  28.994  16.207  -4.447
  157    HB2  HIS  19           HB2      HIS  19  29.839  13.301  -4.802
  158    HB3  HIS  19           HB1      HIS  19  28.332  14.053  -5.378
  159    HD1  HIS  19           HD1      HIS  19  31.972  13.650  -6.167
  160    HD2  HIS  19           HD2      HIS  19  28.729  15.947  -7.548
  161    HE1  HIS  19           HE1      HIS  19  32.653  14.654  -8.415
  162    H    LEU  20           HN       LEU  20  30.796  14.638  -2.027
  163    HA   LEU  20           HA       LEU  20  30.219  13.740   0.030
  164    HB2  LEU  20           HB2      LEU  20  29.423  15.980   0.468
  165    HB3  LEU  20           HB1      LEU  20  27.915  15.678  -0.421
  166    HG   LEU  20           HG       LEU  20  27.143  14.118   1.272
  167   HD11  LEU  20          HD11      LEU  20  29.978  14.393   2.344
  168   HD12  LEU  20          HD12      LEU  20  29.091  12.908   1.920
  169   HD13  LEU  20          HD13      LEU  20  28.643  13.823   3.376
  170   HD21  LEU  20          HD21      LEU  20  26.852  16.542   1.737
  171   HD22  LEU  20          HD22      LEU  20  28.411  16.558   2.595
  172   HD23  LEU  20          HD23      LEU  20  27.050  15.609   3.240
  Start of MODEL   30
    1    H1   TRP   1           HT1      TRP   1  46.950   5.776   7.541
    2    H2   TRP   1           HT2      TRP   1  45.595   5.962   6.532
    3    H3   TRP   1           HT3      TRP   1  45.602   6.647   8.087
    4    HA   TRP   1           HA       TRP   1  46.307   8.501   7.218
    5    HB2  TRP   1           HB2      TRP   1  48.732   6.836   6.433
    6    HB3  TRP   1           HB1      TRP   1  48.680   8.608   6.580
    7    HD1  TRP   1           HD1      TRP   1  48.663   5.407   8.656
    8    HE1  TRP   1           HE1      TRP   1  49.098   5.976  11.155
    9    HE3  TRP   1           HE3      TRP   1  48.418  10.513   8.374
   10    HZ2  TRP   1           HZ2      TRP   1  49.304   8.345  12.781
   11    HZ3  TRP   1           HZ3      TRP   1  48.738  11.907  10.412
   12    HH2  TRP   1           HH2      TRP   1  49.179  10.828  12.613
   13    H    LEU   2           HN       LEU   2  47.258   9.629   5.190
   14    HA   LEU   2           HA       LEU   2  45.549   8.961   2.984
   15    HB2  LEU   2           HB2      LEU   2  48.024  10.733   3.152
   16    HB3  LEU   2           HB1      LEU   2  46.959  10.636   1.734
   17    HG   LEU   2           HG       LEU   2  45.020  11.198   3.385
   18   HD11  LEU   2          HD11      LEU   2  47.462  11.879   5.074
   19   HD12  LEU   2          HD12      LEU   2  46.019  10.947   5.535
   20   HD13  LEU   2          HD13      LEU   2  45.902  12.702   5.302
   21   HD21  LEU   2          HD21      LEU   2  45.889  12.757   1.666
   22   HD22  LEU   2          HD22      LEU   2  47.173  13.277   2.784
   23   HD23  LEU   2          HD23      LEU   2  45.468  13.628   3.160
   24    H    ARG   3           HN       ARG   3  48.379   7.559   4.086
   25    HA   ARG   3           HA       ARG   3  49.669   5.842   3.232
   26    HB2  ARG   3           HB2      ARG   3  47.426   5.202   2.082
   27    HB3  ARG   3           HB1      ARG   3  48.124   5.926   0.615
   28    HG2  ARG   3           HG2      ARG   3  50.069   4.415   0.768
   29    HG3  ARG   3           HG1      ARG   3  49.411   3.700   2.259
   30    HD2  ARG   3           HD2      ARG   3  47.861   3.728  -0.362
   31    HD3  ARG   3           HD1      ARG   3  48.956   2.400   0.094
   32    HE   ARG   3           HE       ARG   3  47.012   3.029   2.183
   33   HH11  ARG   3          HH11      ARG   3  46.072   2.293  -0.824
   34   HH12  ARG   3          HH12      ARG   3  45.558   0.669  -0.520
   35   HH21  ARG   3          HH21      ARG   3  47.018   0.510   2.620
   36   HH22  ARG   3          HH22      ARG   3  46.093  -0.342   1.429
   37    H    ARG   4           HN       ARG   4  48.841   7.800   0.315
   38    HA   ARG   4           HA       ARG   4  51.625   7.803  -0.537
   39    HB2  ARG   4           HB2      ARG   4  49.525   7.945  -2.017
   40    HB3  ARG   4           HB1      ARG   4  49.417   9.650  -1.522
   41    HG2  ARG   4           HG2      ARG   4  51.625  10.116  -2.445
   42    HG3  ARG   4           HG1      ARG   4  51.887   8.391  -2.797
   43    HD2  ARG   4           HD2      ARG   4  49.888   8.450  -4.320
   44    HD3  ARG   4           HD1      ARG   4  49.778  10.205  -4.044
   45    HE   ARG   4           HE       ARG   4  51.484  10.417  -5.648
   46   HH11  ARG   4          HH11      ARG   4  51.050   7.251  -5.840
   47   HH12  ARG   4          HH12      ARG   4  52.712   6.772  -5.931
   48   HH21  ARG   4          HH21      ARG   4  53.933   9.874  -4.975
   49   HH22  ARG   4          HH22      ARG   4  54.344   8.257  -5.441
   50    H    ILE   5           HN       ILE   5  49.921   9.499   1.822
   51    HA   ILE   5           HA       ILE   5  50.431  11.378   3.075
   52    HB   ILE   5           HB       ILE   5  53.207  11.310   1.818
   53   HG12  ILE   5          HG12      ILE   5  52.065   9.626   4.096
   54   HG13  ILE   5          HG11      ILE   5  52.639   9.025   2.522
   55   HG21  ILE   5          HG21      ILE   5  52.358  11.992   4.664
   56   HG22  ILE   5          HG22      ILE   5  52.426  13.214   3.372
   57   HG23  ILE   5          HG23      ILE   5  53.905  12.354   3.860
   58   HD11  ILE   5           HD1      ILE   5  54.257  10.217   4.800
   59   HD12  ILE   5           HD2      ILE   5  54.905  10.153   3.142
   60   HD13  ILE   5           HD3      ILE   5  54.470   8.649   3.988
   61    H    GLY   6           HN       GLY   6  48.924  12.167   1.163
   62    HA2  GLY   6           HA1      GLY   6  49.508  14.841   0.662
   63    HA3  GLY   6           HA2      GLY   6  50.165  13.974  -0.741
   64    H    LYS   7           HN       LYS   7  48.623  12.345  -1.759
   65    HA   LYS   7           HA       LYS   7  46.030  13.760  -2.174
   66    HB2  LYS   7           HB2      LYS   7  47.404  13.100  -4.132
   67    HB3  LYS   7           HB1      LYS   7  47.272  11.396  -3.637
   68    HG2  LYS   7           HG2      LYS   7  44.905  11.365  -3.999
   69    HG3  LYS   7           HG1      LYS   7  44.822  13.138  -4.119
   70    HD2  LYS   7           HD2      LYS   7  44.687  12.006  -6.353
   71    HD3  LYS   7           HD1      LYS   7  46.080  13.103  -6.216
   72    HE2  LYS   7           HE2      LYS   7  46.365  10.150  -5.560
   73    HE3  LYS   7           HE1      LYS   7  46.472  10.729  -7.238
   74    HZ1  LYS   7           HZ1      LYS   7  48.376  10.958  -5.114
   75    HZ2  LYS   7           HZ2      LYS   7  48.032  12.468  -5.814
   76    HZ3  LYS   7           HZ3      LYS   7  48.584  11.184  -6.782
   77    H    GLY   8           HN       GLY   8  44.239  13.153  -1.176
   78    HA2  GLY   8           HA1      GLY   8  43.587  10.331  -0.834
   79    HA3  GLY   8           HA2      GLY   8  43.989  11.132   0.699
   80    H    VAL   9           HN       VAL   9  42.877  13.407   0.889
   81    HA   VAL   9           HA       VAL   9  40.179  13.479  -0.320
   82    HB   VAL   9           HB       VAL   9  39.037  13.578   1.902
   83   HG11  VAL   9          HG11      VAL   9  39.249  11.451   0.477
   84   HG12  VAL   9          HG12      VAL   9  38.891  11.202   2.202
   85   HG13  VAL   9          HG13      VAL   9  40.543  10.949   1.591
   86   HG21  VAL   9          HG21      VAL   9  40.310  12.571   3.852
   87   HG22  VAL   9          HG22      VAL   9  40.899  14.171   3.338
   88   HG23  VAL   9          HG23      VAL   9  41.791  12.702   2.872
   89    H    LYS  10           HN       LYS  10  42.735  15.075  -0.068
   90    HA   LYS  10           HA       LYS  10  42.063  17.377   1.595
   91    HB2  LYS  10           HB2      LYS  10  44.400  16.632   0.896
   92    HB3  LYS  10           HB1      LYS  10  44.025  17.257  -0.727
   93    HG2  LYS  10           HG2      LYS  10  43.534  19.492   0.275
   94    HG3  LYS  10           HG1      LYS  10  44.000  18.856   1.871
   95    HD2  LYS  10           HD2      LYS  10  46.263  18.430   1.117
   96    HD3  LYS  10           HD1      LYS  10  45.828  18.815  -0.564
   97    HE2  LYS  10           HE2      LYS  10  47.011  20.696   0.642
   98    HE3  LYS  10           HE1      LYS  10  45.408  21.139   0.010
   99    HZ1  LYS  10           HZ1      LYS  10  45.637  20.083   2.750
  100    HZ2  LYS  10           HZ2      LYS  10  44.492  21.156   2.097
  101    HZ3  LYS  10           HZ3      LYS  10  46.062  21.698   2.454
  102    H    ILE  11           HN       ILE  11  41.274  16.256  -1.578
  103    HA   ILE  11           HA       ILE  11  39.862  18.857  -2.154
  104    HB   ILE  11           HB       ILE  11  41.228  17.145  -4.261
  105   HG12  ILE  11          HG12      ILE  11  42.258  19.633  -2.824
  106   HG13  ILE  11          HG11      ILE  11  42.968  18.004  -2.762
  107   HG21  ILE  11          HG21      ILE  11  40.806  19.004  -5.723
  108   HG22  ILE  11          HG22      ILE  11  40.391  20.074  -4.363
  109   HG23  ILE  11          HG23      ILE  11  39.292  18.753  -4.826
  110   HD11  ILE  11           HD1      ILE  11  42.882  19.943  -5.098
  111   HD12  ILE  11           HD2      ILE  11  43.160  18.201  -5.352
  112   HD13  ILE  11           HD3      ILE  11  44.295  19.151  -4.363
  113    H    ILE  12           HN       ILE  12  40.184  15.360  -2.628
  114    HA   ILE  12           HA       ILE  12  37.677  15.099  -4.095
  115    HB   ILE  12           HB       ILE  12  39.344  13.091  -2.547
  116   HG12  ILE  12          HG12      ILE  12  39.268  13.575  -5.563
  117   HG13  ILE  12          HG11      ILE  12  40.464  14.337  -4.490
  118   HG21  ILE  12          HG21      ILE  12  37.138  12.158  -2.879
  119   HG22  ILE  12          HG22      ILE  12  38.162  11.438  -4.136
  120   HG23  ILE  12          HG23      ILE  12  37.060  12.771  -4.545
  121   HD11  ILE  12           HD1      ILE  12  41.643  12.439  -5.198
  122   HD12  ILE  12           HD2      ILE  12  40.187  11.426  -5.279
  123   HD13  ILE  12           HD3      ILE  12  40.909  11.823  -3.702
  124    H    GLY  13           HN       GLY  13  38.361  13.186  -1.191
  125    HA2  GLY  13           HA1      GLY  13  35.687  13.459  -0.184
  126    HA3  GLY  13           HA2      GLY  13  37.102  12.882   0.727
  127    H    GLY  14           HN       GLY  14  38.166  15.531  -0.647
  128    HA2  GLY  14           HA1      GLY  14  37.862  17.192   1.786
  129    HA3  GLY  14           HA2      GLY  14  38.868  17.539   0.360
  130    H    ALA  15           HN       ALA  15  36.990  17.271  -1.700
  131    HA   ALA  15           HA       ALA  15  35.412  19.773  -1.231
  132    HB1  ALA  15           HB1      ALA  15  35.727  18.066  -3.734
  133    HB2  ALA  15           HB2      ALA  15  36.703  19.503  -3.341
  134    HB3  ALA  15           HB3      ALA  15  34.956  19.665  -3.634
  135    H    ALA  16           HN       ALA  16  34.918  17.218   0.123
  136    HA   ALA  16           HA       ALA  16  33.018  16.134   0.871
  137    HB1  ALA  16           HB1      ALA  16  31.862  18.351   0.037
  138    HB2  ALA  16           HB2      ALA  16  30.870  16.911   0.360
  139    HB3  ALA  16           HB3      ALA  16  31.300  17.338  -1.311
  140    H    LEU  17           HN       LEU  17  34.910  15.063  -0.999
  141    HA   LEU  17           HA       LEU  17  35.086  13.269  -2.473
  142    HB2  LEU  17           HB2      LEU  17  33.450  12.461  -0.479
  143    HB3  LEU  17           HB1      LEU  17  32.300  12.305  -1.822
  144    HG   LEU  17           HG       LEU  17  35.085  11.038  -1.761
  145   HD11  LEU  17          HD11      LEU  17  32.339   9.776  -1.354
  146   HD12  LEU  17          HD12      LEU  17  33.521  10.090  -0.060
  147   HD13  LEU  17          HD13      LEU  17  33.904   8.928  -1.352
  148   HD21  LEU  17          HD21      LEU  17  32.701  10.769  -3.649
  149   HD22  LEU  17          HD22      LEU  17  34.129   9.709  -3.678
  150   HD23  LEU  17          HD23      LEU  17  34.302  11.441  -4.042
  151    H    ASP  18           HN       ASP  18  34.430  15.571  -3.739
  152    HA   ASP  18           HA       ASP  18  33.413  16.441  -5.640
  153    HB2  ASP  18           HB2      ASP  18  33.263  13.521  -6.475
  154    HB3  ASP  18           HB1      ASP  18  33.331  14.946  -7.540
  155    H    HIS  19           HN       HIS  19  31.645  15.684  -3.389
  156    HA   HIS  19           HA       HIS  19  29.374  15.479  -2.956
  157    HB2  HIS  19           HB2      HIS  19  29.250  16.639  -5.767
  158    HB3  HIS  19           HB1      HIS  19  27.855  16.507  -4.669
  159    HD1  HIS  19           HD1      HIS  19  30.608  18.727  -5.579
  160    HD2  HIS  19           HD2      HIS  19  28.339  17.994  -2.117
  161    HE1  HIS  19           HE1      HIS  19  30.974  20.700  -3.997
  162    H    LEU  20           HN       LEU  20  30.229  13.065  -3.308
  163    HA   LEU  20           HA       LEU  20  29.706  10.931  -4.058
  164    HB2  LEU  20           HB2      LEU  20  27.047  12.374  -4.293
  165    HB3  LEU  20           HB1      LEU  20  27.195  10.648  -4.672
  166    HG   LEU  20           HG       LEU  20  26.458  11.237  -2.287
  167   HD11  LEU  20          HD11      LEU  20  27.559   9.374  -1.329
  168   HD12  LEU  20          HD12      LEU  20  29.041   9.630  -2.270
  169   HD13  LEU  20          HD13      LEU  20  27.576   9.022  -3.068
  170   HD21  LEU  20          HD21      LEU  20  28.097  12.006  -0.698
  171   HD22  LEU  20          HD22      LEU  20  28.130  13.138  -2.068
  172   HD23  LEU  20          HD23      LEU  20  29.407  11.911  -1.897
  Start of MODEL   31
    1    H1   TRP   1           HT1      TRP   1  36.108  22.787  14.479
    2    H2   TRP   1           HT2      TRP   1  36.346  21.569  15.641
    3    H3   TRP   1           HT3      TRP   1  34.803  22.243  15.415
    4    HA   TRP   1           HA       TRP   1  34.916  20.088  14.425
    5    HB2  TRP   1           HB2      TRP   1  34.931  22.263  12.299
    6    HB3  TRP   1           HB1      TRP   1  34.082  20.700  12.240
    7    HD1  TRP   1           HD1      TRP   1  32.299  20.362  14.433
    8    HE1  TRP   1           HE1      TRP   1  30.567  22.072  15.347
    9    HE3  TRP   1           HE3      TRP   1  34.332  24.662  12.537
   10    HZ2  TRP   1           HZ2      TRP   1  30.149  24.919  15.248
   11    HZ3  TRP   1           HZ3      TRP   1  33.248  26.864  12.960
   12    HH2  TRP   1           HH2      TRP   1  31.160  26.996  14.313
   13    H    LEU   2           HN       LEU   2  35.763  18.731  12.721
   14    HA   LEU   2           HA       LEU   2  38.666  18.849  12.638
   15    HB2  LEU   2           HB2      LEU   2  36.920  17.088  10.886
   16    HB3  LEU   2           HB1      LEU   2  38.546  16.756  11.529
   17    HG   LEU   2           HG       LEU   2  35.959  16.962  13.133
   18   HD11  LEU   2          HD11      LEU   2  37.858  14.647  12.544
   19   HD12  LEU   2          HD12      LEU   2  36.221  14.855  11.880
   20   HD13  LEU   2          HD13      LEU   2  36.445  14.569  13.623
   21   HD21  LEU   2          HD21      LEU   2  37.680  17.861  14.537
   22   HD22  LEU   2          HD22      LEU   2  38.876  16.673  13.967
   23   HD23  LEU   2          HD23      LEU   2  37.535  16.156  15.019
   24    H    ARG   3           HN       ARG   3  36.246  20.390  10.869
   25    HA   ARG   3           HA       ARG   3  36.325  21.745   9.006
   26    HB2  ARG   3           HB2      ARG   3  39.310  21.208   8.812
   27    HB3  ARG   3           HB1      ARG   3  38.399  22.589   8.170
   28    HG2  ARG   3           HG2      ARG   3  37.767  23.211  10.522
   29    HG3  ARG   3           HG1      ARG   3  38.827  21.909  11.111
   30    HD2  ARG   3           HD2      ARG   3  40.110  23.956  11.171
   31    HD3  ARG   3           HD1      ARG   3  40.722  22.985   9.811
   32    HE   ARG   3           HE       ARG   3  38.718  24.652   8.741
   33   HH11  ARG   3          HH11      ARG   3  41.967  24.468   8.753
   34   HH12  ARG   3          HH12      ARG   3  42.291  26.169   8.738
   35   HH21  ARG   3          HH21      ARG   3  39.016  27.067   9.436
   36   HH22  ARG   3          HH22      ARG   3  40.620  27.641   9.123
   37    H    ARG   4           HN       ARG   4  37.890  18.586   8.838
   38    HA   ARG   4           HA       ARG   4  37.582  18.479   5.886
   39    HB2  ARG   4           HB2      ARG   4  38.628  16.500   7.948
   40    HB3  ARG   4           HB1      ARG   4  38.535  16.171   6.199
   41    HG2  ARG   4           HG2      ARG   4  40.014  18.056   5.718
   42    HG3  ARG   4           HG1      ARG   4  40.029  18.526   7.434
   43    HD2  ARG   4           HD2      ARG   4  40.977  15.813   6.423
   44    HD3  ARG   4           HD1      ARG   4  42.062  17.199   6.688
   45    HE   ARG   4           HE       ARG   4  40.890  15.522   8.766
   46   HH11  ARG   4          HH11      ARG   4  41.194  16.180  10.911
   47   HH12  ARG   4          HH12      ARG   4  41.941  17.709  11.232
   48   HH21  ARG   4          HH21      ARG   4  42.212  18.580   7.886
   49   HH22  ARG   4          HH22      ARG   4  42.517  19.068   9.520
   50    H    ILE   5           HN       ILE   5  35.768  17.823   8.714
   51    HA   ILE   5           HA       ILE   5  33.791  16.662   9.071
   52    HB   ILE   5           HB       ILE   5  33.509  17.281   6.092
   53   HG12  ILE   5          HG12      ILE   5  31.948  19.031   6.955
   54   HG13  ILE   5          HG11      ILE   5  32.332  18.537   8.619
   55   HG21  ILE   5          HG21      ILE   5  31.545  16.058   8.076
   56   HG22  ILE   5          HG22      ILE   5  32.019  15.436   6.477
   57   HG23  ILE   5          HG23      ILE   5  31.008  16.893   6.599
   58   HD11  ILE   5           HD1      ILE   5  34.589  19.300   6.740
   59   HD12  ILE   5           HD2      ILE   5  34.514  19.411   8.516
   60   HD13  ILE   5           HD3      ILE   5  33.623  20.578   7.514
   61    H    GLY   6           HN       GLY   6  34.437  14.644   9.683
   62    HA2  GLY   6           HA1      GLY   6  34.572  12.341   9.502
   63    HA3  GLY   6           HA2      GLY   6  33.816  12.474   7.903
   64    H    LYS   7           HN       LYS   7  36.737  14.262   8.561
   65    HA   LYS   7           HA       LYS   7  38.869  14.055   7.681
   66    HB2  LYS   7           HB2      LYS   7  38.651  11.877   9.098
   67    HB3  LYS   7           HB1      LYS   7  38.439  11.050   7.541
   68    HG2  LYS   7           HG2      LYS   7  40.765  10.894   7.781
   69    HG3  LYS   7           HG1      LYS   7  40.648  12.416   6.873
   70    HD2  LYS   7           HD2      LYS   7  40.750  13.685   9.021
   71    HD3  LYS   7           HD1      LYS   7  40.902  12.148   9.904
   72    HE2  LYS   7           HE2      LYS   7  43.128  13.111   9.571
   73    HE3  LYS   7           HE1      LYS   7  42.970  11.639   8.582
   74    HZ1  LYS   7           HZ1      LYS   7  43.935  13.675   7.458
   75    HZ2  LYS   7           HZ2      LYS   7  42.372  14.340   7.508
   76    HZ3  LYS   7           HZ3      LYS   7  42.660  12.903   6.648
   77    H    GLY   8           HN       GLY   8  40.026  13.789   5.714
   78    HA2  GLY   8           HA1      GLY   8  38.787  12.426   3.457
   79    HA3  GLY   8           HA2      GLY   8  38.596  14.187   3.376
   80    H    VAL   9           HN       VAL   9  39.890  13.211   1.327
   81    HA   VAL   9           HA       VAL   9  42.726  12.829   1.742
   82    HB   VAL   9           HB       VAL   9  41.287  13.745  -0.789
   83   HG11  VAL   9          HG11      VAL   9  43.698  14.080  -0.924
   84   HG12  VAL   9          HG12      VAL   9  43.277  12.635  -1.873
   85   HG13  VAL   9          HG13      VAL   9  43.999  12.459  -0.256
   86   HG21  VAL   9          HG21      VAL   9  41.181  11.375  -1.372
   87   HG22  VAL   9          HG22      VAL   9  40.391  11.614   0.205
   88   HG23  VAL   9          HG23      VAL   9  42.034  10.933   0.127
   89    H    LYS  10           HN       LYS  10  41.350  15.454  -0.259
   90    HA   LYS  10           HA       LYS  10  42.348  17.596   1.388
   91    HB2  LYS  10           HB2      LYS  10  44.538  16.627   0.614
   92    HB3  LYS  10           HB1      LYS  10  44.044  16.970  -1.061
   93    HG2  LYS  10           HG2      LYS  10  43.856  19.362  -0.556
   94    HG3  LYS  10           HG1      LYS  10  44.230  19.055   1.158
   95    HD2  LYS  10           HD2      LYS  10  46.466  18.316   0.619
   96    HD3  LYS  10           HD1      LYS  10  46.107  18.320  -1.125
   97    HE2  LYS  10           HE2      LYS  10  47.409  20.345  -0.308
   98    HE3  LYS  10           HE1      LYS  10  45.889  20.728  -1.153
   99    HZ1  LYS  10           HZ1      LYS  10  44.907  21.429   0.747
  100    HZ2  LYS  10           HZ2      LYS  10  46.512  21.755   1.200
  101    HZ3  LYS  10           HZ3      LYS  10  45.744  20.340   1.741
  102    H    ILE  11           HN       ILE  11  41.220  16.274  -1.642
  103    HA   ILE  11           HA       ILE  11  39.905  18.911  -2.258
  104    HB   ILE  11           HB       ILE  11  41.093  17.095  -4.398
  105   HG12  ILE  11          HG12      ILE  11  42.276  19.588  -3.087
  106   HG13  ILE  11          HG11      ILE  11  42.941  17.940  -3.019
  107   HG21  ILE  11          HG21      ILE  11  39.174  18.748  -4.886
  108   HG22  ILE  11          HG22      ILE  11  40.639  18.930  -5.876
  109   HG23  ILE  11          HG23      ILE  11  40.335  20.046  -4.522
  110   HD11  ILE  11           HD1      ILE  11  44.204  18.996  -4.728
  111   HD12  ILE  11           HD2      ILE  11  42.776  19.818  -5.400
  112   HD13  ILE  11           HD3      ILE  11  42.982  18.063  -5.623
  113    H    ILE  12           HN       ILE  12  40.105  15.406  -2.973
  114    HA   ILE  12           HA       ILE  12  37.369  15.329  -3.996
  115    HB   ILE  12           HB       ILE  12  39.223  13.110  -3.064
  116   HG12  ILE  12          HG12      ILE  12  38.689  14.094  -5.909
  117   HG13  ILE  12          HG11      ILE  12  40.084  14.610  -4.939
  118   HG21  ILE  12          HG21      ILE  12  37.753  11.745  -4.696
  119   HG22  ILE  12          HG22      ILE  12  36.633  13.125  -4.673
  120   HG23  ILE  12          HG23      ILE  12  36.985  12.235  -3.175
  121   HD11  ILE  12           HD1      ILE  12  40.446  11.951  -4.678
  122   HD12  ILE  12           HD2      ILE  12  41.045  12.827  -6.102
  123   HD13  ILE  12           HD3      ILE  12  39.522  11.920  -6.199
  124    H    GLY  13           HN       GLY  13  38.416  12.956  -1.589
  125    HA2  GLY  13           HA1      GLY  13  35.984  13.118  -0.094
  126    HA3  GLY  13           HA2      GLY  13  37.517  12.419   0.480
  127    H    GLY  14           HN       GLY  14  38.475  15.176  -0.593
  128    HA2  GLY  14           HA1      GLY  14  38.590  16.487   2.035
  129    HA3  GLY  14           HA2      GLY  14  39.368  17.025   0.530
  130    H    ALA  15           HN       ALA  15  37.228  17.165  -1.250
  131    HA   ALA  15           HA       ALA  15  35.803  19.542  -0.105
  132    HB1  ALA  15           HB1      ALA  15  34.987  19.886  -2.370
  133    HB2  ALA  15           HB2      ALA  15  35.616  18.304  -2.882
  134    HB3  ALA  15           HB3      ALA  15  36.741  19.612  -2.428
  135    H    ALA  16           HN       ALA  16  35.442  16.827   0.895
  136    HA   ALA  16           HA       ALA  16  33.669  15.599   1.707
  137    HB1  ALA  16           HB1      ALA  16  31.491  16.465   1.714
  138    HB2  ALA  16           HB2      ALA  16  31.673  17.231   0.118
  139    HB3  ALA  16           HB3      ALA  16  32.477  17.935   1.541
  140    H    LEU  17           HN       LEU  17  35.186  14.833  -0.548
  141    HA   LEU  17           HA       LEU  17  35.066  13.249  -2.250
  142    HB2  LEU  17           HB2      LEU  17  33.460  12.208  -0.439
  143    HB3  LEU  17           HB1      LEU  17  32.166  12.691  -1.558
  144    HG   LEU  17           HG       LEU  17  33.714  11.460  -3.376
  145   HD11  LEU  17          HD11      LEU  17  35.561  11.028  -1.717
  146   HD12  LEU  17          HD12      LEU  17  34.920   9.541  -2.449
  147   HD13  LEU  17          HD13      LEU  17  34.444   9.997  -0.797
  148   HD21  LEU  17          HD21      LEU  17  32.512   9.299  -2.825
  149   HD22  LEU  17          HD22      LEU  17  31.450  10.726  -2.878
  150   HD23  LEU  17          HD23      LEU  17  31.961  10.055  -1.311
  151    H    ASP  18           HN       ASP  18  34.827  15.759  -3.107
  152    HA   ASP  18           HA       ASP  18  34.094  17.029  -4.894
  153    HB2  ASP  18           HB2      ASP  18  34.556  14.837  -6.089
  154    HB3  ASP  18           HB1      ASP  18  32.819  14.479  -5.953
  155    H    HIS  19           HN       HIS  19  31.381  14.684  -4.884
  156    HA   HIS  19           HA       HIS  19  29.598  16.484  -3.470
  157    HB2  HIS  19           HB2      HIS  19  28.100  16.983  -5.396
  158    HB3  HIS  19           HB1      HIS  19  29.696  17.753  -5.559
  159    HD1  HIS  19           HD1      HIS  19  30.639  14.481  -6.204
  160    HD2  HIS  19           HD2      HIS  19  28.223  17.147  -8.382
  161    HE1  HIS  19           HE1      HIS  19  30.651  13.706  -8.638
  162    H    LEU  20           HN       LEU  20  30.138  13.945  -2.872
  163    HA   LEU  20           HA       LEU  20  27.541  12.672  -3.197
  164    HB2  LEU  20           HB2      LEU  20  28.399  11.971  -5.338
  165    HB3  LEU  20           HB1      LEU  20  29.967  11.524  -4.634
  166    HG   LEU  20           HG       LEU  20  28.988   9.650  -3.447
  167   HD11  LEU  20          HD11      LEU  20  26.885  10.472  -2.673
  168   HD12  LEU  20          HD12      LEU  20  26.464   9.184  -3.823
  169   HD13  LEU  20          HD13      LEU  20  26.348  10.890  -4.316
  170   HD21  LEU  20          HD21      LEU  20  28.160   8.302  -5.322
  171   HD22  LEU  20          HD22      LEU  20  29.478   9.358  -5.883
  172   HD23  LEU  20          HD23      LEU  20  27.786   9.774  -6.249
  Start of MODEL   32
    1    H1   TRP   1           HT1      TRP   1  30.765   6.484  10.090
    2    H2   TRP   1           HT2      TRP   1  31.329   5.101   9.280
    3    H3   TRP   1           HT3      TRP   1  32.218   6.548   9.219
    4    HA   TRP   1           HA       TRP   1  31.639   5.173  11.746
    5    HB2  TRP   1           HB2      TRP   1  32.814   3.643  10.112
    6    HB3  TRP   1           HB1      TRP   1  34.133   4.835  10.037
    7    HD1  TRP   1           HD1      TRP   1  36.005   4.396  11.678
    8    HE1  TRP   1           HE1      TRP   1  36.293   3.201  13.969
    9    HE3  TRP   1           HE3      TRP   1  31.143   2.986  12.477
   10    HZ2  TRP   1           HZ2      TRP   1  34.621   1.829  15.866
   11    HZ3  TRP   1           HZ3      TRP   1  30.517   1.736  14.535
   12    HH2  TRP   1           HH2      TRP   1  32.250   1.155  16.228
   13    H    LEU   2           HN       LEU   2  33.575   5.639  13.247
   14    HA   LEU   2           HA       LEU   2  34.640   7.304  14.463
   15    HB2  LEU   2           HB2      LEU   2  35.496   7.814  11.614
   16    HB3  LEU   2           HB1      LEU   2  35.985   8.977  12.864
   17    HG   LEU   2           HG       LEU   2  36.425   6.008  13.357
   18   HD11  LEU   2          HD11      LEU   2  38.243   7.828  11.716
   19   HD12  LEU   2          HD12      LEU   2  37.375   6.393  11.116
   20   HD13  LEU   2          HD13      LEU   2  38.677   6.210  12.315
   21   HD21  LEU   2          HD21      LEU   2  36.843   7.646  15.180
   22   HD22  LEU   2          HD22      LEU   2  37.960   8.538  14.119
   23   HD23  LEU   2          HD23      LEU   2  38.358   6.884  14.643
   24    H    ARG   3           HN       ARG   3  34.197   9.470  11.744
   25    HA   ARG   3           HA       ARG   3  31.746  10.693  12.633
   26    HB2  ARG   3           HB2      ARG   3  33.318  11.383  14.510
   27    HB3  ARG   3           HB1      ARG   3  34.258  12.278  13.294
   28    HG2  ARG   3           HG2      ARG   3  32.213  13.565  12.684
   29    HG3  ARG   3           HG1      ARG   3  31.310  12.701  13.952
   30    HD2  ARG   3           HD2      ARG   3  33.700  14.554  14.327
   31    HD3  ARG   3           HD1      ARG   3  32.029  14.824  14.878
   32    HE   ARG   3           HE       ARG   3  32.816  12.421  16.081
   33   HH11  ARG   3          HH11      ARG   3  32.100  14.280  18.028
   34   HH12  ARG   3          HH12      ARG   3  33.582  14.876  18.698
   35   HH21  ARG   3          HH21      ARG   3  35.531  13.790  16.044
   36   HH22  ARG   3          HH22      ARG   3  35.524  14.598  17.575
   37    H    ARG   4           HN       ARG   4  34.717  10.564  10.889
   38    HA   ARG   4           HA       ARG   4  33.457  11.946   8.580
   39    HB2  ARG   4           HB2      ARG   4  36.084  12.822   9.853
   40    HB3  ARG   4           HB1      ARG   4  35.543  13.311   8.230
   41    HG2  ARG   4           HG2      ARG   4  33.422  14.205   9.301
   42    HG3  ARG   4           HG1      ARG   4  34.171  13.897  10.887
   43    HD2  ARG   4           HD2      ARG   4  35.268  15.711   8.695
   44    HD3  ARG   4           HD1      ARG   4  34.551  16.233  10.238
   45    HE   ARG   4           HE       ARG   4  36.749  14.435  10.730
   46   HH11  ARG   4          HH11      ARG   4  38.265  15.560  12.070
   47   HH12  ARG   4          HH12      ARG   4  38.729  17.161  11.598
   48   HH21  ARG   4          HH21      ARG   4  36.348  17.399   9.088
   49   HH22  ARG   4          HH22      ARG   4  37.643  18.202   9.910
   50    H    ILE   5           HN       ILE   5  35.149   9.449   9.974
   51    HA   ILE   5           HA       ILE   5  36.398   7.700   9.106
   52    HB   ILE   5           HB       ILE   5  35.383   8.542   6.359
   53   HG12  ILE   5          HG12      ILE   5  33.956   6.956   8.545
   54   HG13  ILE   5          HG11      ILE   5  33.489   8.563   7.941
   55   HG21  ILE   5          HG21      ILE   5  35.812   5.760   7.524
   56   HG22  ILE   5          HG22      ILE   5  37.104   6.650   6.685
   57   HG23  ILE   5          HG23      ILE   5  35.615   6.219   5.816
   58   HD11  ILE   5           HD1      ILE   5  33.376   5.893   6.498
   59   HD12  ILE   5           HD2      ILE   5  33.367   7.430   5.599
   60   HD13  ILE   5           HD3      ILE   5  32.070   7.070   6.761
   61    H    GLY   6           HN       GLY   6  38.285   9.069   9.704
   62    HA2  GLY   6           HA1      GLY   6  40.436   9.743   9.189
   63    HA3  GLY   6           HA2      GLY   6  40.206   9.038   7.576
   64    H    LYS   7           HN       LYS   7  38.523  11.730   9.245
   65    HA   LYS   7           HA       LYS   7  38.073  13.877   8.470
   66    HB2  LYS   7           HB2      LYS   7  40.994  13.562   7.678
   67    HB3  LYS   7           HB1      LYS   7  40.112  15.108   7.625
   68    HG2  LYS   7           HG2      LYS   7  39.768  15.122   9.988
   69    HG3  LYS   7           HG1      LYS   7  40.217  13.406  10.147
   70    HD2  LYS   7           HD2      LYS   7  42.055  14.869  10.920
   71    HD3  LYS   7           HD1      LYS   7  42.542  13.951   9.475
   72    HE2  LYS   7           HE2      LYS   7  42.312  15.852   8.053
   73    HE3  LYS   7           HE1      LYS   7  41.381  16.757   9.273
   74    HZ1  LYS   7           HZ1      LYS   7  43.253  17.506  10.165
   75    HZ2  LYS   7           HZ2      LYS   7  44.112  16.824   8.867
   76    HZ3  LYS   7           HZ3      LYS   7  43.904  15.946  10.307
   77    H    GLY   8           HN       GLY   8  40.453  13.602   5.928
   78    HA2  GLY   8           HA1      GLY   8  38.706  12.684   3.841
   79    HA3  GLY   8           HA2      GLY   8  38.714  14.458   3.883
   80    H    VAL   9           HN       VAL   9  39.585  13.298   1.619
   81    HA   VAL   9           HA       VAL   9  42.393  12.668   1.605
   82    HB   VAL   9           HB       VAL   9  40.622  13.748  -0.636
   83   HG11  VAL   9          HG11      VAL   9  42.923  14.100  -1.258
   84   HG12  VAL   9          HG12      VAL   9  42.412  12.601  -2.068
   85   HG13  VAL   9          HG13      VAL   9  43.411  12.524  -0.597
   86   HG21  VAL   9          HG21      VAL   9  40.418  11.393  -1.283
   87   HG22  VAL   9          HG22      VAL   9  39.894  11.583   0.406
   88   HG23  VAL   9          HG23      VAL   9  41.500  10.905   0.044
   89    H    LYS  10           HN       LYS  10  41.169  15.424  -0.276
   90    HA   LYS  10           HA       LYS  10  42.507  17.451   1.285
   91    HB2  LYS  10           HB2      LYS  10  44.491  16.187   0.340
   92    HB3  LYS  10           HB1      LYS  10  43.935  16.666  -1.281
   93    HG2  LYS  10           HG2      LYS  10  44.046  19.062  -0.588
   94    HG3  LYS  10           HG1      LYS  10  44.674  18.554   0.999
   95    HD2  LYS  10           HD2      LYS  10  46.581  17.414  -0.177
   96    HD3  LYS  10           HD1      LYS  10  45.983  18.080  -1.714
   97    HE2  LYS  10           HE2      LYS  10  47.688  19.590  -0.933
   98    HE3  LYS  10           HE1      LYS  10  46.127  20.393  -0.636
   99    HZ1  LYS  10           HZ1      LYS  10  47.328  18.694   1.457
  100    HZ2  LYS  10           HZ2      LYS  10  46.261  20.008   1.614
  101    HZ3  LYS  10           HZ3      LYS  10  47.896  20.278   1.238
  102    H    ILE  11           HN       ILE  11  41.150  16.271  -1.734
  103    HA   ILE  11           HA       ILE  11  39.988  19.004  -2.222
  104    HB   ILE  11           HB       ILE  11  40.991  17.187  -4.453
  105   HG12  ILE  11          HG12      ILE  11  42.364  19.574  -3.129
  106   HG13  ILE  11          HG11      ILE  11  42.923  17.885  -3.095
  107   HG21  ILE  11          HG21      ILE  11  40.605  19.090  -5.862
  108   HG22  ILE  11          HG22      ILE  11  40.411  20.179  -4.467
  109   HG23  ILE  11          HG23      ILE  11  39.162  18.964  -4.830
  110   HD11  ILE  11           HD1      ILE  11  44.208  18.881  -4.824
  111   HD12  ILE  11           HD2      ILE  11  42.819  19.798  -5.451
  112   HD13  ILE  11           HD3      ILE  11  42.908  18.037  -5.696
  113    H    ILE  12           HN       ILE  12  39.952  15.529  -3.090
  114    HA   ILE  12           HA       ILE  12  37.157  15.644  -3.956
  115    HB   ILE  12           HB       ILE  12  38.958  13.310  -3.226
  116   HG12  ILE  12          HG12      ILE  12  39.954  14.571  -5.047
  117   HG13  ILE  12          HG11      ILE  12  39.274  13.074  -5.716
  118   HG21  ILE  12          HG21      ILE  12  37.228  12.185  -4.973
  119   HG22  ILE  12          HG22      ILE  12  36.162  13.478  -4.376
  120   HG23  ILE  12          HG23      ILE  12  36.853  12.301  -3.240
  121   HD11  ILE  12           HD1      ILE  12  38.545  14.699  -7.260
  122   HD12  ILE  12           HD2      ILE  12  38.267  15.921  -6.000
  123   HD13  ILE  12           HD3      ILE  12  37.140  14.560  -6.183
  124    H    GLY  13           HN       GLY  13  38.173  13.073  -1.761
  125    HA2  GLY  13           HA1      GLY  13  35.873  13.255  -0.103
  126    HA3  GLY  13           HA2      GLY  13  37.417  12.498   0.351
  127    H    GLY  14           HN       GLY  14  38.429  15.265  -0.612
  128    HA2  GLY  14           HA1      GLY  14  38.660  16.438   2.077
  129    HA3  GLY  14           HA2      GLY  14  39.411  17.028   0.578
  130    H    ALA  15           HN       ALA  15  37.257  17.357  -1.131
  131    HA   ALA  15           HA       ALA  15  35.916  19.691   0.190
  132    HB1  ALA  15           HB1      ALA  15  35.153  20.272  -2.026
  133    HB2  ALA  15           HB2      ALA  15  35.655  18.694  -2.674
  134    HB3  ALA  15           HB3      ALA  15  36.881  19.872  -2.133
  135    H    ALA  16           HN       ALA  16  35.459  16.909   0.956
  136    HA   ALA  16           HA       ALA  16  33.622  15.728   1.712
  137    HB1  ALA  16           HB1      ALA  16  31.479  16.662   1.735
  138    HB2  ALA  16           HB2      ALA  16  31.691  17.467   0.164
  139    HB3  ALA  16           HB3      ALA  16  32.504  18.109   1.610
  140    H    LEU  17           HN       LEU  17  35.138  14.966  -0.534
  141    HA   LEU  17           HA       LEU  17  34.985  13.428  -2.277
  142    HB2  LEU  17           HB2      LEU  17  33.274  12.441  -0.526
  143    HB3  LEU  17           HB1      LEU  17  32.044  12.999  -1.679
  144    HG   LEU  17           HG       LEU  17  33.594  11.722  -3.463
  145   HD11  LEU  17          HD11      LEU  17  35.368  11.179  -1.772
  146   HD12  LEU  17          HD12      LEU  17  34.664   9.726  -2.514
  147   HD13  LEU  17          HD13      LEU  17  34.177  10.212  -0.874
  148   HD21  LEU  17          HD21      LEU  17  31.785  10.260  -1.483
  149   HD22  LEU  17          HD22      LEU  17  32.241   9.674  -3.101
  150   HD23  LEU  17          HD23      LEU  17  31.244  11.138  -2.934
  151    H    ASP  18           HN       ASP  18  34.346  16.281  -2.641
  152    HA   ASP  18           HA       ASP  18  33.571  17.682  -4.313
  153    HB2  ASP  18           HB2      ASP  18  34.927  16.186  -5.731
  154    HB3  ASP  18           HB1      ASP  18  33.527  15.109  -5.939
  155    H    HIS  19           HN       HIS  19  31.795  14.804  -5.455
  156    HA   HIS  19           HA       HIS  19  29.369  16.109  -5.940
  157    HB2  HIS  19           HB2      HIS  19  29.838  13.250  -5.003
  158    HB3  HIS  19           HB1      HIS  19  28.311  13.855  -5.690
  159    HD1  HIS  19           HD1      HIS  19  32.009  13.436  -6.605
  160    HD2  HIS  19           HD2      HIS  19  28.290  14.021  -8.479
  161    HE1  HIS  19           HE1      HIS  19  32.371  13.162  -9.120
  162    H    LEU  20           HN       LEU  20  29.951  14.010  -3.074
  163    HA   LEU  20           HA       LEU  20  27.677  15.154  -1.678
  164    HB2  LEU  20           HB2      LEU  20  28.862  12.795  -1.454
  165    HB3  LEU  20           HB1      LEU  20  29.910  13.636  -0.301
  166    HG   LEU  20           HG       LEU  20  28.147  12.650   0.982
  167   HD11  LEU  20          HD11      LEU  20  27.163  14.546   2.077
  168   HD12  LEU  20          HD12      LEU  20  27.290  15.550   0.616
  169   HD13  LEU  20          HD13      LEU  20  28.760  15.056   1.488
  170   HD21  LEU  20          HD21      LEU  20  26.585  12.492  -1.142
  171   HD22  LEU  20          HD22      LEU  20  25.961  14.064  -0.594
  172   HD23  LEU  20          HD23      LEU  20  25.850  12.646   0.467
  Start of MODEL   33
    1    H1   TRP   1           HT1      TRP   1  47.682  11.185  14.334
    2    H2   TRP   1           HT2      TRP   1  47.493   9.758  13.432
    3    H3   TRP   1           HT3      TRP   1  46.131  10.563  14.051
    4    HA   TRP   1           HA       TRP   1  47.760  12.243  12.442
    5    HB2  TRP   1           HB2      TRP   1  46.822  11.035  10.302
    6    HB3  TRP   1           HB1      TRP   1  48.296  10.406  11.072
    7    HD1  TRP   1           HD1      TRP   1  44.459   9.804  11.349
    8    HE1  TRP   1           HE1      TRP   1  44.041   7.274  11.755
    9    HE3  TRP   1           HE3      TRP   1  49.321   8.207  11.557
   10    HZ2  TRP   1           HZ2      TRP   1  45.625   4.898  12.119
   11    HZ3  TRP   1           HZ3      TRP   1  49.841   5.801  11.934
   12    HH2  TRP   1           HH2      TRP   1  48.000   4.147  12.214
   13    H    LEU   2           HN       LEU   2  45.827  12.796  14.246
   14    HA   LEU   2           HA       LEU   2  43.890  14.048  14.411
   15    HB2  LEU   2           HB2      LEU   2  44.804  14.906  12.093
   16    HB3  LEU   2           HB1      LEU   2  43.486  13.933  11.410
   17    HG   LEU   2           HG       LEU   2  41.986  15.202  13.212
   18   HD11  LEU   2          HD11      LEU   2  43.784  16.371  14.396
   19   HD12  LEU   2          HD12      LEU   2  42.795  17.565  13.529
   20   HD13  LEU   2          HD13      LEU   2  44.375  17.079  12.874
   21   HD21  LEU   2          HD21      LEU   2  41.698  15.425  10.780
   22   HD22  LEU   2          HD22      LEU   2  43.075  16.551  10.697
   23   HD23  LEU   2          HD23      LEU   2  41.586  17.025  11.549
   24    H    ARG   3           HN       ARG   3  44.106  10.983  13.135
   25    HA   ARG   3           HA       ARG   3  42.651   9.192  13.278
   26    HB2  ARG   3           HB2      ARG   3  41.670  10.609  15.262
   27    HB3  ARG   3           HB1      ARG   3  40.351  10.983  14.129
   28    HG2  ARG   3           HG2      ARG   3  39.997   8.538  13.766
   29    HG3  ARG   3           HG1      ARG   3  41.264   8.195  14.968
   30    HD2  ARG   3           HD2      ARG   3  38.703   9.767  15.495
   31    HD3  ARG   3           HD1      ARG   3  39.005   8.084  15.990
   32    HE   ARG   3           HE       ARG   3  41.122   9.669  17.026
   33   HH11  ARG   3          HH11      ARG   3  37.754  10.129  17.107
   34   HH12  ARG   3          HH12      ARG   3  37.658  10.274  18.831
   35   HH21  ARG   3          HH21      ARG   3  40.998   9.492  19.347
   36   HH22  ARG   3          HH22      ARG   3  39.494   9.913  20.099
   37    H    ARG   4           HN       ARG   4  40.666  12.034  12.284
   38    HA   ARG   4           HA       ARG   4  39.338  10.491  10.208
   39    HB2  ARG   4           HB2      ARG   4  39.508  13.508  10.578
   40    HB3  ARG   4           HB1      ARG   4  38.328  12.628   9.578
   41    HG2  ARG   4           HG2      ARG   4  37.468  11.473  11.590
   42    HG3  ARG   4           HG1      ARG   4  38.658  12.334  12.596
   43    HD2  ARG   4           HD2      ARG   4  36.401  13.416  12.646
   44    HD3  ARG   4           HD1      ARG   4  37.660  14.493  11.996
   45    HE   ARG   4           HE       ARG   4  36.409  14.531  10.005
   46   HH11  ARG   4          HH11      ARG   4  34.206  13.068  11.666
   47   HH12  ARG   4          HH12      ARG   4  33.800  11.797  10.563
   48   HH21  ARG   4          HH21      ARG   4  36.613  12.252   8.589
   49   HH22  ARG   4          HH22      ARG   4  35.163  11.334   8.820
   50    H    ILE   5           HN       ILE   5  42.461  11.501  10.418
   51    HA   ILE   5           HA       ILE   5  44.120  11.940   8.856
   52    HB   ILE   5           HB       ILE   5  42.281  10.624   6.812
   53   HG12  ILE   5          HG12      ILE   5  44.086   9.310   8.899
   54   HG13  ILE   5          HG11      ILE   5  42.308   9.266   8.889
   55   HG21  ILE   5          HG21      ILE   5  45.304  10.431   7.144
   56   HG22  ILE   5          HG22      ILE   5  44.531  11.697   6.160
   57   HG23  ILE   5          HG23      ILE   5  44.322   9.986   5.727
   58   HD11  ILE   5           HD1      ILE   5  42.938   7.210   7.887
   59   HD12  ILE   5           HD2      ILE   5  44.242   7.966   6.944
   60   HD13  ILE   5           HD3      ILE   5  42.542   8.252   6.501
   61    H    GLY   6           HN       GLY   6  43.095  14.228   9.252
   62    HA2  GLY   6           HA1      GLY   6  42.547  16.285   8.348
   63    HA3  GLY   6           HA2      GLY   6  43.362  15.703   6.883
   64    H    LYS   7           HN       LYS   7  40.582  13.985   8.106
   65    HA   LYS   7           HA       LYS   7  38.511  13.613   7.122
   66    HB2  LYS   7           HB2      LYS   7  38.248  15.964   8.034
   67    HB3  LYS   7           HB1      LYS   7  38.624  16.565   6.402
   68    HG2  LYS   7           HG2      LYS   7  36.724  15.219   5.495
   69    HG3  LYS   7           HG1      LYS   7  36.325  14.705   7.151
   70    HD2  LYS   7           HD2      LYS   7  35.837  16.973   7.825
   71    HD3  LYS   7           HD1      LYS   7  36.484  17.625   6.300
   72    HE2  LYS   7           HE2      LYS   7  34.028  17.579   6.207
   73    HE3  LYS   7           HE1      LYS   7  34.698  16.404   5.050
   74    HZ1  LYS   7           HZ1      LYS   7  34.098  14.635   6.372
   75    HZ2  LYS   7           HZ2      LYS   7  32.802  15.699   6.646
   76    HZ3  LYS   7           HZ3      LYS   7  34.043  15.552   7.798
   77    H    GLY   8           HN       GLY   8  39.055  12.250   5.441
   78    HA2  GLY   8           HA1      GLY   8  39.065  11.632   3.208
   79    HA3  GLY   8           HA2      GLY   8  38.546  13.277   2.794
   80    H    VAL   9           HN       VAL   9  39.950  12.964   0.915
   81    HA   VAL   9           HA       VAL   9  42.835  12.784   1.354
   82    HB   VAL   9           HB       VAL   9  41.243  13.584  -1.125
   83   HG11  VAL   9          HG11      VAL   9  44.187  12.959  -0.652
   84   HG12  VAL   9          HG12      VAL   9  43.485  14.435  -1.358
   85   HG13  VAL   9          HG13      VAL   9  43.436  12.904  -2.264
   86   HG21  VAL   9          HG21      VAL   9  41.785  11.247  -1.834
   87   HG22  VAL   9          HG22      VAL   9  40.769  11.289  -0.373
   88   HG23  VAL   9          HG23      VAL   9  42.512  10.955  -0.237
   89    H    LYS  10           HN       LYS  10  41.294  15.320  -0.619
   90    HA   LYS  10           HA       LYS  10  41.948  17.486   1.165
   91    HB2  LYS  10           HB2      LYS  10  44.262  16.908   0.644
   92    HB3  LYS  10           HB1      LYS  10  43.907  16.909  -1.095
   93    HG2  LYS  10           HG2      LYS  10  45.051  18.997  -0.344
   94    HG3  LYS  10           HG1      LYS  10  43.453  19.324  -1.042
   95    HD2  LYS  10           HD2      LYS  10  42.475  19.764   1.078
   96    HD3  LYS  10           HD1      LYS  10  43.783  18.933   1.957
   97    HE2  LYS  10           HE2      LYS  10  43.914  21.437   2.122
   98    HE3  LYS  10           HE1      LYS  10  45.359  20.711   1.377
   99    HZ1  LYS  10           HZ1      LYS  10  44.594  21.309  -0.769
  100    HZ2  LYS  10           HZ2      LYS  10  44.425  22.695   0.198
  101    HZ3  LYS  10           HZ3      LYS  10  43.063  21.759  -0.196
  102    H    ILE  11           HN       ILE  11  40.974  16.128  -1.855
  103    HA   ILE  11           HA       ILE  11  39.538  18.682  -2.528
  104    HB   ILE  11           HB       ILE  11  40.916  16.951  -4.625
  105   HG12  ILE  11          HG12      ILE  11  41.843  19.576  -3.364
  106   HG13  ILE  11          HG11      ILE  11  42.623  17.990  -3.163
  107   HG21  ILE  11          HG21      ILE  11  39.908  19.823  -4.800
  108   HG22  ILE  11          HG22      ILE  11  38.883  18.424  -5.196
  109   HG23  ILE  11          HG23      ILE  11  40.359  18.737  -6.134
  110   HD11  ILE  11           HD1      ILE  11  42.785  17.968  -5.769
  111   HD12  ILE  11           HD2      ILE  11  43.894  19.034  -4.873
  112   HD13  ILE  11           HD3      ILE  11  42.451  19.714  -5.657
  113    H    ILE  12           HN       ILE  12  39.983  15.195  -3.204
  114    HA   ILE  12           HA       ILE  12  37.282  14.941  -4.306
  115    HB   ILE  12           HB       ILE  12  39.282  12.867  -3.349
  116   HG12  ILE  12          HG12      ILE  12  38.701  13.802  -6.202
  117   HG13  ILE  12          HG11      ILE  12  40.039  14.430  -5.216
  118   HG21  ILE  12          HG21      ILE  12  36.674  12.675  -4.909
  119   HG22  ILE  12          HG22      ILE  12  37.181  11.751  -3.477
  120   HG23  ILE  12          HG23      ILE  12  37.919  11.416  -5.052
  121   HD11  ILE  12           HD1      ILE  12  41.167  12.732  -6.350
  122   HD12  ILE  12           HD2      ILE  12  39.720  11.714  -6.498
  123   HD13  ILE  12           HD3      ILE  12  40.596  11.795  -4.951
  124    H    GLY  13           HN       GLY  13  38.450  12.640  -1.888
  125    HA2  GLY  13           HA1      GLY  13  35.979  12.644  -0.444
  126    HA3  GLY  13           HA2      GLY  13  37.535  12.020   0.152
  127    H    GLY  14           HN       GLY  14  38.298  14.869  -0.908
  128    HA2  GLY  14           HA1      GLY  14  38.299  16.157   1.746
  129    HA3  GLY  14           HA2      GLY  14  39.082  16.747   0.261
  130    H    ALA  15           HN       ALA  15  37.004  16.795  -1.583
  131    HA   ALA  15           HA       ALA  15  35.381  19.049  -0.435
  132    HB1  ALA  15           HB1      ALA  15  35.357  17.927  -3.263
  133    HB2  ALA  15           HB2      ALA  15  36.457  19.219  -2.716
  134    HB3  ALA  15           HB3      ALA  15  34.700  19.480  -2.704
  135    H    ALA  16           HN       ALA  16  35.152  16.275   0.436
  136    HA   ALA  16           HA       ALA  16  33.419  14.909   1.112
  137    HB1  ALA  16           HB1      ALA  16  31.402  16.475  -0.516
  138    HB2  ALA  16           HB2      ALA  16  32.094  17.175   0.966
  139    HB3  ALA  16           HB3      ALA  16  31.195  15.642   1.044
  140    H    LEU  17           HN       LEU  17  35.069  14.159  -0.938
  141    HA   LEU  17           HA       LEU  17  35.153  12.605  -2.661
  142    HB2  LEU  17           HB2      LEU  17  32.172  12.137  -2.278
  143    HB3  LEU  17           HB1      LEU  17  33.351  11.039  -3.014
  144    HG   LEU  17           HG       LEU  17  33.746  11.937  -0.133
  145   HD11  LEU  17          HD11      LEU  17  31.423  11.135  -0.221
  146   HD12  LEU  17          HD12      LEU  17  32.456   9.944   0.606
  147   HD13  LEU  17          HD13      LEU  17  31.947   9.664  -1.076
  148   HD21  LEU  17          HD21      LEU  17  35.474  10.597  -1.499
  149   HD22  LEU  17          HD22      LEU  17  34.308   9.256  -1.474
  150   HD23  LEU  17          HD23      LEU  17  34.979   9.881   0.051
  151    H    ASP  18           HN       ASP  18  34.795  15.327  -3.264
  152    HA   ASP  18           HA       ASP  18  34.185  16.722  -5.017
  153    HB2  ASP  18           HB2      ASP  18  35.551  14.983  -6.210
  154    HB3  ASP  18           HB1      ASP  18  34.039  14.126  -6.596
  155    H    HIS  19           HN       HIS  19  32.051  16.019  -3.338
  156    HA   HIS  19           HA       HIS  19  29.729  15.949  -3.283
  157    HB2  HIS  19           HB2      HIS  19  30.028  17.277  -6.006
  158    HB3  HIS  19           HB1      HIS  19  28.591  17.329  -4.958
  159    HD1  HIS  19           HD1      HIS  19  30.735  19.720  -5.901
  160    HD2  HIS  19           HD2      HIS  19  30.119  18.034  -2.098
  161    HE1  HIS  19           HE1      HIS  19  31.603  21.393  -4.177
  162    H    LEU  20           HN       LEU  20  31.023  13.582  -4.284
  163    HA   LEU  20           HA       LEU  20  29.771  12.604  -6.662
  164    HB2  LEU  20           HB2      LEU  20  31.712  11.478  -5.785
  165    HB3  LEU  20           HB1      LEU  20  30.922  11.205  -4.217
  166    HG   LEU  20           HG       LEU  20  29.375   9.611  -5.184
  167   HD11  LEU  20          HD11      LEU  20  30.493  10.612  -7.831
  168   HD12  LEU  20          HD12      LEU  20  28.796  10.556  -7.297
  169   HD13  LEU  20          HD13      LEU  20  29.651   9.049  -7.700
  170   HD21  LEU  20          HD21      LEU  20  32.175   9.173  -6.313
  171   HD22  LEU  20          HD22      LEU  20  30.950   7.907  -6.061
  172   HD23  LEU  20          HD23      LEU  20  31.642   8.766  -4.665
  Start of MODEL   34
    1    H1   TRP   1           HT1      TRP   1  28.412  12.186   3.033
    2    H2   TRP   1           HT2      TRP   1  27.247  11.364   3.959
    3    H3   TRP   1           HT3      TRP   1  28.157  10.528   2.793
    4    HA   TRP   1           HA       TRP   1  29.073  11.674   5.344
    5    HB2  TRP   1           HB2      TRP   1  29.159   8.855   4.200
    6    HB3  TRP   1           HB1      TRP   1  29.736   9.356   5.807
    7    HD1  TRP   1           HD1      TRP   1  27.782  10.495   7.427
    8    HE1  TRP   1           HE1      TRP   1  25.290   9.813   7.724
    9    HE3  TRP   1           HE3      TRP   1  27.150   7.839   3.097
   10    HZ2  TRP   1           HZ2      TRP   1  23.316   8.314   6.258
   11    HZ3  TRP   1           HZ3      TRP   1  24.955   6.790   2.566
   12    HH2  TRP   1           HH2      TRP   1  23.038   7.026   4.141
   13    H    LEU   2           HN       LEU   2  31.400  10.827   5.766
   14    HA   LEU   2           HA       LEU   2  33.073  12.017   3.695
   15    HB2  LEU   2           HB2      LEU   2  34.014  10.393   6.085
   16    HB3  LEU   2           HB1      LEU   2  34.883  11.678   5.216
   17    HG   LEU   2           HG       LEU   2  32.325  12.066   6.839
   18   HD11  LEU   2          HD11      LEU   2  35.188  12.935   7.429
   19   HD12  LEU   2          HD12      LEU   2  34.380  11.541   8.183
   20   HD13  LEU   2          HD13      LEU   2  33.763  13.187   8.465
   21   HD21  LEU   2          HD21      LEU   2  33.065  14.537   6.540
   22   HD22  LEU   2          HD22      LEU   2  32.352  13.734   5.125
   23   HD23  LEU   2          HD23      LEU   2  34.117  13.939   5.235
   24    H    ARG   3           HN       ARG   3  31.716   8.964   4.167
   25    HA   ARG   3           HA       ARG   3  31.922   7.000   2.979
   26    HB2  ARG   3           HB2      ARG   3  34.175   8.245   1.361
   27    HB3  ARG   3           HB1      ARG   3  33.170   6.853   0.934
   28    HG2  ARG   3           HG2      ARG   3  31.908   9.578   1.435
   29    HG3  ARG   3           HG1      ARG   3  32.600   9.168  -0.145
   30    HD2  ARG   3           HD2      ARG   3  30.406   7.616   1.302
   31    HD3  ARG   3           HD1      ARG   3  30.192   8.667  -0.114
   32    HE   ARG   3           HE       ARG   3  32.153   6.665  -0.720
   33   HH11  ARG   3          HH11      ARG   3  30.413   6.884  -2.839
   34   HH12  ARG   3          HH12      ARG   3  29.209   5.655  -2.636
   35   HH21  ARG   3          HH21      ARG   3  29.899   5.163   0.727
   36   HH22  ARG   3          HH22      ARG   3  28.917   4.681  -0.616
   37    H    ARG   4           HN       ARG   4  35.047   8.509   3.862
   38    HA   ARG   4           HA       ARG   4  36.290   5.857   4.223
   39    HB2  ARG   4           HB2      ARG   4  37.564   7.850   3.403
   40    HB3  ARG   4           HB1      ARG   4  37.314   8.624   4.986
   41    HG2  ARG   4           HG2      ARG   4  38.622   6.979   6.123
   42    HG3  ARG   4           HG1      ARG   4  38.586   5.867   4.734
   43    HD2  ARG   4           HD2      ARG   4  40.780   7.056   4.973
   44    HD3  ARG   4           HD1      ARG   4  39.977   7.393   3.421
   45    HE   ARG   4           HE       ARG   4  39.189   9.402   5.289
   46   HH11  ARG   4          HH11      ARG   4  42.217   8.924   5.769
   47   HH12  ARG   4          HH12      ARG   4  42.886  10.151   4.748
   48   HH21  ARG   4          HH21      ARG   4  39.930  10.701   3.022
   49   HH22  ARG   4          HH22      ARG   4  41.592  11.157   3.192
   50    H    ILE   5           HN       ILE   5  34.218   7.859   5.996
   51    HA   ILE   5           HA       ILE   5  33.534   7.822   8.208
   52    HB   ILE   5           HB       ILE   5  35.043   5.190   8.495
   53   HG12  ILE   5          HG12      ILE   5  32.282   5.719   7.299
   54   HG13  ILE   5          HG11      ILE   5  33.708   5.123   6.418
   55   HG21  ILE   5          HG21      ILE   5  32.387   6.070   9.702
   56   HG22  ILE   5          HG22      ILE   5  33.947   6.384  10.499
   57   HG23  ILE   5          HG23      ILE   5  33.426   4.713  10.197
   58   HD11  ILE   5           HD1      ILE   5  32.469   3.157   6.901
   59   HD12  ILE   5           HD2      ILE   5  32.069   3.705   8.546
   60   HD13  ILE   5           HD3      ILE   5  33.729   3.184   8.158
   61    H    GLY   6           HN       GLY   6  35.320   9.598   8.123
   62    HA2  GLY   6           HA1      GLY   6  36.592   9.688  10.610
   63    HA3  GLY   6           HA2      GLY   6  37.802   9.030   9.490
   64    H    LYS   7           HN       LYS   7  38.089  10.285   7.411
   65    HA   LYS   7           HA       LYS   7  37.533  13.202   7.697
   66    HB2  LYS   7           HB2      LYS   7  40.350  12.122   7.290
   67    HB3  LYS   7           HB1      LYS   7  39.861  13.828   7.436
   68    HG2  LYS   7           HG2      LYS   7  38.938  13.243   9.746
   69    HG3  LYS   7           HG1      LYS   7  39.761  11.673   9.586
   70    HD2  LYS   7           HD2      LYS   7  41.136  14.390   9.357
   71    HD3  LYS   7           HD1      LYS   7  41.127  13.382  10.822
   72    HE2  LYS   7           HE2      LYS   7  42.100  11.504   9.303
   73    HE3  LYS   7           HE1      LYS   7  42.438  12.813   8.144
   74    HZ1  LYS   7           HZ1      LYS   7  44.349  12.789   9.378
   75    HZ2  LYS   7           HZ2      LYS   7  43.568  12.350  10.821
   76    HZ3  LYS   7           HZ3      LYS   7  43.455  13.943  10.242
   77    H    GLY   8           HN       GLY   8  39.728  13.623   5.644
   78    HA2  GLY   8           HA1      GLY   8  38.788  12.105   3.304
   79    HA3  GLY   8           HA2      GLY   8  38.298  13.811   3.328
   80    H    VAL   9           HN       VAL   9  39.698  13.332   1.229
   81    HA   VAL   9           HA       VAL   9  42.562  13.301   1.602
   82    HB   VAL   9           HB       VAL   9  40.980  14.318  -0.804
   83   HG11  VAL   9          HG11      VAL   9  43.851  13.377  -0.393
   84   HG12  VAL   9          HG12      VAL   9  43.313  14.978  -0.950
   85   HG13  VAL   9          HG13      VAL   9  43.099  13.555  -1.995
   86   HG21  VAL   9          HG21      VAL   9  42.100  11.542  -0.231
   87   HG22  VAL   9          HG22      VAL   9  41.168  12.043  -1.662
   88   HG23  VAL   9          HG23      VAL   9  40.384  11.986  -0.065
   89    H    LYS  10           HN       LYS  10  41.443  15.932  -0.405
   90    HA   LYS  10           HA       LYS  10  41.905  17.982   1.665
   91    HB2  LYS  10           HB2      LYS  10  43.836  17.584  -0.660
   92    HB3  LYS  10           HB1      LYS  10  43.741  19.068   0.318
   93    HG2  LYS  10           HG2      LYS  10  44.103  17.549   2.376
   94    HG3  LYS  10           HG1      LYS  10  44.547  16.273   1.217
   95    HD2  LYS  10           HD2      LYS  10  46.321  17.705   0.284
   96    HD3  LYS  10           HD1      LYS  10  45.864  19.017   1.400
   97    HE2  LYS  10           HE2      LYS  10  46.437  17.630   3.334
   98    HE3  LYS  10           HE1      LYS  10  46.780  16.242   2.274
   99    HZ1  LYS  10           HZ1      LYS  10  48.186  18.801   1.852
  100    HZ2  LYS  10           HZ2      LYS  10  48.680  17.223   1.460
  101    HZ3  LYS  10           HZ3      LYS  10  48.707  17.749   3.076
  102    H    ILE  11           HN       ILE  11  41.308  17.029  -1.687
  103    HA   ILE  11           HA       ILE  11  39.640  19.522  -2.027
  104    HB   ILE  11           HB       ILE  11  41.201  18.177  -4.272
  105   HG12  ILE  11          HG12      ILE  11  41.965  20.598  -2.571
  106   HG13  ILE  11          HG11      ILE  11  42.811  19.033  -2.613
  107   HG21  ILE  11          HG21      ILE  11  39.129  19.654  -4.703
  108   HG22  ILE  11          HG22      ILE  11  40.626  20.135  -5.532
  109   HG23  ILE  11          HG23      ILE  11  40.095  21.011  -4.076
  110   HD11  ILE  11           HD1      ILE  11  44.081  20.413  -4.070
  111   HD12  ILE  11           HD2      ILE  11  42.627  21.143  -4.790
  112   HD13  ILE  11           HD3      ILE  11  43.060  19.457  -5.170
  113    H    ILE  12           HN       ILE  12  40.355  16.226  -3.235
  114    HA   ILE  12           HA       ILE  12  37.724  15.966  -4.477
  115    HB   ILE  12           HB       ILE  12  39.808  13.890  -3.725
  116   HG12  ILE  12          HG12      ILE  12  39.376  14.910  -6.562
  117   HG13  ILE  12          HG11      ILE  12  40.344  15.887  -5.436
  118   HG21  ILE  12          HG21      ILE  12  38.584  12.670  -5.744
  119   HG22  ILE  12          HG22      ILE  12  37.250  13.783  -5.373
  120   HG23  ILE  12          HG23      ILE  12  37.833  12.645  -4.136
  121   HD11  ILE  12           HD1      ILE  12  41.636  14.205  -6.882
  122   HD12  ILE  12           HD2      ILE  12  40.898  12.929  -5.886
  123   HD13  ILE  12           HD3      ILE  12  41.950  14.148  -5.133
  124    H    GLY  13           HN       GLY  13  38.916  13.368  -2.403
  125    HA2  GLY  13           HA1      GLY  13  36.415  12.944  -1.117
  126    HA3  GLY  13           HA2      GLY  13  37.995  12.396  -0.513
  127    H    GLY  14           HN       GLY  14  38.591  15.393  -1.041
  128    HA2  GLY  14           HA1      GLY  14  38.277  16.247   1.760
  129    HA3  GLY  14           HA2      GLY  14  39.087  17.134   0.449
  130    H    ALA  15           HN       ALA  15  37.128  17.295  -1.509
  131    HA   ALA  15           HA       ALA  15  35.254  19.214  -0.181
  132    HB1  ALA  15           HB1      ALA  15  34.612  19.839  -2.438
  133    HB2  ALA  15           HB2      ALA  15  35.511  18.467  -3.120
  134    HB3  ALA  15           HB3      ALA  15  36.386  19.807  -2.334
  135    H    ALA  16           HN       ALA  16  35.217  16.317   0.288
  136    HA   ALA  16           HA       ALA  16  33.538  14.793   0.737
  137    HB1  ALA  16           HB1      ALA  16  31.275  15.352   0.565
  138    HB2  ALA  16           HB2      ALA  16  31.509  16.314  -0.912
  139    HB3  ALA  16           HB3      ALA  16  32.034  16.957   0.661
  140    H    LEU  17           HN       LEU  17  35.405  14.590  -1.416
  141    HA   LEU  17           HA       LEU  17  35.705  13.328  -3.348
  142    HB2  LEU  17           HB2      LEU  17  34.221  11.793  -1.684
  143    HB3  LEU  17           HB1      LEU  17  33.052  11.925  -3.013
  144    HG   LEU  17           HG       LEU  17  35.950  11.002  -3.336
  145   HD11  LEU  17          HD11      LEU  17  34.616   9.409  -1.998
  146   HD12  LEU  17          HD12      LEU  17  34.958   8.749  -3.616
  147   HD13  LEU  17          HD13      LEU  17  33.349   9.413  -3.248
  148   HD21  LEU  17          HD21      LEU  17  35.037  11.979  -5.389
  149   HD22  LEU  17          HD22      LEU  17  33.539  11.034  -5.209
  150   HD23  LEU  17          HD23      LEU  17  35.075  10.210  -5.560
  151    H    ASP  18           HN       ASP  18  34.688  15.848  -3.776
  152    HA   ASP  18           HA       ASP  18  33.527  17.130  -5.326
  153    HB2  ASP  18           HB2      ASP  18  33.904  14.578  -6.941
  154    HB3  ASP  18           HB1      ASP  18  33.396  16.142  -7.621
  155    H    HIS  19           HN       HIS  19  31.939  15.542  -3.428
  156    HA   HIS  19           HA       HIS  19  29.729  14.910  -3.091
  157    HB2  HIS  19           HB2      HIS  19  29.448  17.300  -3.770
  158    HB3  HIS  19           HB1      HIS  19  29.219  16.764  -5.451
  159    HD1  HIS  19           HD1      HIS  19  27.713  16.099  -1.972
  160    HD2  HIS  19           HD2      HIS  19  26.574  16.227  -6.017
  161    HE1  HIS  19           HE1      HIS  19  25.198  15.662  -2.069
  162    H    LEU  20           HN       LEU  20  30.816  12.838  -4.176
  163    HA   LEU  20           HA       LEU  20  28.713  11.648  -5.739
  164    HB2  LEU  20           HB2      LEU  20  29.589  12.892  -7.612
  165    HB3  LEU  20           HB1      LEU  20  31.259  12.439  -7.207
  166    HG   LEU  20           HG       LEU  20  30.857  10.122  -7.808
  167   HD11  LEU  20          HD11      LEU  20  27.945  11.000  -7.934
  168   HD12  LEU  20          HD12      LEU  20  28.661   9.662  -7.002
  169   HD13  LEU  20          HD13      LEU  20  28.515   9.535  -8.769
  170   HD21  LEU  20          HD21      LEU  20  31.233  11.834  -9.640
  171   HD22  LEU  20          HD22      LEU  20  29.472  11.856  -9.898
  172   HD23  LEU  20          HD23      LEU  20  30.394  10.359 -10.174
  Start of MODEL   35
    1    H1   TRP   1           HT1      TRP   1  42.156   8.217  14.838
    2    H2   TRP   1           HT2      TRP   1  43.121   7.112  13.980
    3    H3   TRP   1           HT3      TRP   1  41.528   7.425  13.477
    4    HA   TRP   1           HA       TRP   1  42.120   9.717  13.022
    5    HB2  TRP   1           HB2      TRP   1  44.571  10.233  12.916
    6    HB3  TRP   1           HB1      TRP   1  43.982   9.949  14.571
    7    HD1  TRP   1           HD1      TRP   1  46.350   8.618  11.968
    8    HE1  TRP   1           HE1      TRP   1  47.675   6.581  12.897
    9    HE3  TRP   1           HE3      TRP   1  43.710   7.840  16.285
   10    HZ2  TRP   1           HZ2      TRP   1  47.575   4.869  15.209
   11    HZ3  TRP   1           HZ3      TRP   1  44.342   6.000  17.838
   12    HH2  TRP   1           HH2      TRP   1  46.271   4.515  17.305
   13    H    LEU   2           HN       LEU   2  42.068  10.017  10.881
   14    HA   LEU   2           HA       LEU   2  42.510   7.728   9.139
   15    HB2  LEU   2           HB2      LEU   2  42.109  10.601   8.249
   16    HB3  LEU   2           HB1      LEU   2  41.660   9.104   7.398
   17    HG   LEU   2           HG       LEU   2  40.439  10.123  10.004
   18   HD11  LEU   2          HD11      LEU   2  38.417  10.442   8.628
   19   HD12  LEU   2          HD12      LEU   2  39.289   9.860   7.190
   20   HD13  LEU   2          HD13      LEU   2  39.772  11.387   7.967
   21   HD21  LEU   2          HD21      LEU   2  38.777   8.206   9.461
   22   HD22  LEU   2          HD22      LEU   2  40.366   7.735  10.105
   23   HD23  LEU   2          HD23      LEU   2  40.033   7.588   8.361
   24    H    ARG   3           HN       ARG   3  43.808  11.035   8.784
   25    HA   ARG   3           HA       ARG   3  46.573  10.026   8.591
   26    HB2  ARG   3           HB2      ARG   3  45.583   9.627   6.298
   27    HB3  ARG   3           HB1      ARG   3  45.281  11.377   6.183
   28    HG2  ARG   3           HG2      ARG   3  47.635  11.881   6.304
   29    HG3  ARG   3           HG1      ARG   3  48.036  10.204   6.751
   30    HD2  ARG   3           HD2      ARG   3  47.407   9.389   4.566
   31    HD3  ARG   3           HD1      ARG   3  46.703  10.961   4.119
   32    HE   ARG   3           HE       ARG   3  48.872  11.525   3.408
   33   HH11  ARG   3          HH11      ARG   3  49.979  12.021   6.061
   34   HH12  ARG   3          HH12      ARG   3  51.264  10.867   6.188
   35   HH21  ARG   3          HH21      ARG   3  50.105   8.891   3.586
   36   HH22  ARG   3          HH22      ARG   3  51.335   9.095   4.788
   37    H    ARG   4           HN       ARG   4  44.169  12.302   9.147
   38    HA   ARG   4           HA       ARG   4  46.118  14.257  10.134
   39    HB2  ARG   4           HB2      ARG   4  45.792  14.737   7.613
   40    HB3  ARG   4           HB1      ARG   4  44.131  15.208   8.034
   41    HG2  ARG   4           HG2      ARG   4  44.938  16.954   9.527
   42    HG3  ARG   4           HG1      ARG   4  46.620  16.406   9.333
   43    HD2  ARG   4           HD2      ARG   4  46.602  17.012   6.974
   44    HD3  ARG   4           HD1      ARG   4  44.867  17.403   7.048
   45    HE   ARG   4           HE       ARG   4  45.457  19.491   7.976
   46   HH11  ARG   4          HH11      ARG   4  46.902  20.979   8.877
   47   HH12  ARG   4          HH12      ARG   4  48.516  20.477   9.258
   48   HH21  ARG   4          HH21      ARG   4  48.029  17.206   8.217
   49   HH22  ARG   4          HH22      ARG   4  49.154  18.342   8.885
   50    H    ILE   5           HN       ILE   5  43.307  12.541  10.238
   51    HA   ILE   5           HA       ILE   5  41.230  12.847  11.265
   52    HB   ILE   5           HB       ILE   5  42.501  12.094  13.128
   53   HG12  ILE   5          HG12      ILE   5  41.445  13.156  15.037
   54   HG13  ILE   5          HG11      ILE   5  41.141  14.642  14.116
   55   HG21  ILE   5          HG21      ILE   5  43.583  14.930  13.365
   56   HG22  ILE   5          HG22      ILE   5  44.486  13.462  12.936
   57   HG23  ILE   5          HG23      ILE   5  43.827  13.655  14.575
   58   HD11  ILE   5           HD1      ILE   5  39.169  12.983  14.378
   59   HD12  ILE   5           HD2      ILE   5  40.038  11.953  13.216
   60   HD13  ILE   5           HD3      ILE   5  39.503  13.582  12.739
   61    H    GLY   6           HN       GLY   6  40.061  14.310  10.133
   62    HA2  GLY   6           HA1      GLY   6  39.027  16.559  11.330
   63    HA3  GLY   6           HA2      GLY   6  40.463  17.188  10.497
   64    H    LYS   7           HN       LYS   7  40.174  15.048   8.397
   65    HA   LYS   7           HA       LYS   7  37.630  15.485   7.086
   66    HB2  LYS   7           HB2      LYS   7  38.562  16.824   5.160
   67    HB3  LYS   7           HB1      LYS   7  38.432  17.730   6.688
   68    HG2  LYS   7           HG2      LYS   7  40.826  17.307   7.153
   69    HG3  LYS   7           HG1      LYS   7  40.962  16.393   5.631
   70    HD2  LYS   7           HD2      LYS   7  40.378  18.387   4.333
   71    HD3  LYS   7           HD1      LYS   7  40.112  19.316   5.829
   72    HE2  LYS   7           HE2      LYS   7  42.341  19.818   4.920
   73    HE3  LYS   7           HE1      LYS   7  42.498  18.936   6.458
   74    HZ1  LYS   7           HZ1      LYS   7  43.478  18.213   3.929
   75    HZ2  LYS   7           HZ2      LYS   7  42.313  17.063   4.381
   76    HZ3  LYS   7           HZ3      LYS   7  43.638  17.380   5.397
   77    H    GLY   8           HN       GLY   8  37.903  14.884   4.618
   78    HA2  GLY   8           HA1      GLY   8  39.103  12.245   4.626
   79    HA3  GLY   8           HA2      GLY   8  38.316  13.049   3.256
   80    H    VAL   9           HN       VAL   9  39.609  13.192   1.561
   81    HA   VAL   9           HA       VAL   9  42.493  13.014   1.841
   82    HB   VAL   9           HB       VAL   9  40.804  13.779  -0.584
   83   HG11  VAL   9          HG11      VAL   9  43.732  13.009  -0.230
   84   HG12  VAL   9          HG12      VAL   9  43.082  14.504  -0.944
   85   HG13  VAL   9          HG13      VAL   9  42.897  12.956  -1.800
   86   HG21  VAL   9          HG21      VAL   9  42.087  11.114   0.147
   87   HG22  VAL   9          HG22      VAL   9  40.976  11.447  -1.204
   88   HG23  VAL   9          HG23      VAL   9  40.382  11.506   0.473
   89    H    LYS  10           HN       LYS  10  41.114  15.497  -0.270
   90    HA   LYS  10           HA       LYS  10  41.748  17.743   1.423
   91    HB2  LYS  10           HB2      LYS  10  44.074  16.845   0.917
   92    HB3  LYS  10           HB1      LYS  10  43.767  17.231  -0.791
   93    HG2  LYS  10           HG2      LYS  10  43.358  19.596  -0.193
   94    HG3  LYS  10           HG1      LYS  10  43.649  19.217   1.521
   95    HD2  LYS  10           HD2      LYS  10  45.951  18.467   0.959
   96    HD3  LYS  10           HD1      LYS  10  45.661  18.876  -0.748
   97    HE2  LYS  10           HE2      LYS  10  45.361  20.902   1.505
   98    HE3  LYS  10           HE1      LYS  10  46.887  20.656   0.623
   99    HZ1  LYS  10           HZ1      LYS  10  44.362  21.128  -0.840
  100    HZ2  LYS  10           HZ2      LYS  10  45.961  21.396  -1.348
  101    HZ3  LYS  10           HZ3      LYS  10  45.242  22.433  -0.209
  102    H    ILE  11           HN       ILE  11  41.146  16.294  -1.710
  103    HA   ILE  11           HA       ILE  11  39.800  18.849  -2.586
  104    HB   ILE  11           HB       ILE  11  41.228  16.942  -4.482
  105   HG12  ILE  11          HG12      ILE  11  42.268  19.504  -3.186
  106   HG13  ILE  11          HG11      ILE  11  42.914  17.864  -2.950
  107   HG21  ILE  11          HG21      ILE  11  40.499  19.878  -4.838
  108   HG22  ILE  11          HG22      ILE  11  39.373  18.562  -5.250
  109   HG23  ILE  11          HG23      ILE  11  40.934  18.692  -6.092
  110   HD11  ILE  11           HD1      ILE  11  44.361  18.824  -4.569
  111   HD12  ILE  11           HD2      ILE  11  43.018  19.596  -5.442
  112   HD13  ILE  11           HD3      ILE  11  43.243  17.832  -5.534
  113    H    ILE  12           HN       ILE  12  40.144  15.320  -3.092
  114    HA   ILE  12           HA       ILE  12  37.425  15.172  -4.265
  115    HB   ILE  12           HB       ILE  12  39.440  13.018  -3.527
  116   HG12  ILE  12          HG12      ILE  12  40.414  14.485  -5.194
  117   HG13  ILE  12          HG11      ILE  12  39.946  12.973  -5.996
  118   HG21  ILE  12          HG21      ILE  12  37.469  11.788  -3.755
  119   HG22  ILE  12          HG22      ILE  12  37.971  11.825  -5.459
  120   HG23  ILE  12          HG23      ILE  12  36.728  12.955  -4.874
  121   HD11  ILE  12           HD1      ILE  12  38.655  15.712  -6.184
  122   HD12  ILE  12           HD2      ILE  12  37.702  14.252  -6.537
  123   HD13  ILE  12           HD3      ILE  12  39.155  14.617  -7.491
  124    H    GLY  13           HN       GLY  13  38.590  12.621  -2.132
  125    HA2  GLY  13           HA1      GLY  13  36.196  12.503  -0.611
  126    HA3  GLY  13           HA2      GLY  13  37.771  11.859  -0.103
  127    H    GLY  14           HN       GLY  14  38.549  14.765  -0.865
  128    HA2  GLY  14           HA1      GLY  14  38.511  15.810   1.888
  129    HA3  GLY  14           HA2      GLY  14  39.313  16.530   0.474
  130    H    ALA  15           HN       ALA  15  37.302  16.796  -1.387
  131    HA   ALA  15           HA       ALA  15  35.650  18.917  -0.060
  132    HB1  ALA  15           HB1      ALA  15  35.630  18.078  -2.981
  133    HB2  ALA  15           HB2      ALA  15  36.791  19.253  -2.309
  134    HB3  ALA  15           HB3      ALA  15  35.048  19.600  -2.272
  135    H    ALA  16           HN       ALA  16  35.410  16.022   0.470
  136    HA   ALA  16           HA       ALA  16  33.641  14.639   1.018
  137    HB1  ALA  16           HB1      ALA  16  31.653  16.331  -0.513
  138    HB2  ALA  16           HB2      ALA  16  32.327  16.923   1.023
  139    HB3  ALA  16           HB3      ALA  16  31.427  15.389   0.980
  140    H    LEU  17           HN       LEU  17  35.327  14.040  -1.049
  141    HA   LEU  17           HA       LEU  17  35.437  12.647  -2.907
  142    HB2  LEU  17           HB2      LEU  17  32.452  12.140  -2.591
  143    HB3  LEU  17           HB1      LEU  17  33.645  11.106  -3.395
  144    HG   LEU  17           HG       LEU  17  33.976  11.775  -0.445
  145   HD11  LEU  17          HD11      LEU  17  32.196   9.614  -1.644
  146   HD12  LEU  17          HD12      LEU  17  31.691  10.952  -0.585
  147   HD13  LEU  17          HD13      LEU  17  32.726   9.653   0.055
  148   HD21  LEU  17          HD21      LEU  17  34.611   9.216  -1.977
  149   HD22  LEU  17          HD22      LEU  17  35.247   9.737  -0.399
  150   HD23  LEU  17          HD23      LEU  17  35.755  10.572  -1.882
  151    H    ASP  18           HN       ASP  18  34.149  15.536  -2.871
  152    HA   ASP  18           HA       ASP  18  33.421  17.031  -4.484
  153    HB2  ASP  18           HB2      ASP  18  35.492  16.226  -5.615
  154    HB3  ASP  18           HB1      ASP  18  34.531  14.971  -6.432
  155    H    HIS  19           HN       HIS  19  31.357  15.691  -3.498
  156    HA   HIS  19           HA       HIS  19  29.194  14.991  -3.947
  157    HB2  HIS  19           HB2      HIS  19  29.725  16.254  -6.667
  158    HB3  HIS  19           HB1      HIS  19  28.131  15.902  -5.958
  159    HD1  HIS  19           HD1      HIS  19  29.174  16.797  -2.979
  160    HD2  HIS  19           HD2      HIS  19  29.221  19.080  -6.512
  161    HE1  HIS  19           HE1      HIS  19  29.227  19.257  -2.294
  162    H    LEU  20           HN       LEU  20  30.772  12.891  -4.031
  163    HA   LEU  20           HA       LEU  20  31.118  10.793  -4.975
  164    HB2  LEU  20           HB2      LEU  20  28.319  11.522  -5.900
  165    HB3  LEU  20           HB1      LEU  20  29.041   9.947  -6.301
  166    HG   LEU  20           HG       LEU  20  29.406   9.487  -3.900
  167   HD11  LEU  20          HD11      LEU  20  28.230  12.279  -3.603
  168   HD12  LEU  20          HD12      LEU  20  29.737  11.628  -2.913
  169   HD13  LEU  20          HD13      LEU  20  28.166  11.094  -2.275
  170   HD21  LEU  20          HD21      LEU  20  27.266   8.833  -4.993
  171   HD22  LEU  20          HD22      LEU  20  26.558  10.395  -4.520
  172   HD23  LEU  20          HD23      LEU  20  27.032   9.217  -3.272
  Start of MODEL   36
    1    H1   TRP   1           HT1      TRP   1  35.613  24.849  12.725
    2    H2   TRP   1           HT2      TRP   1  36.727  24.747  11.445
    3    H3   TRP   1           HT3      TRP   1  37.258  25.146  13.009
    4    HA   TRP   1           HA       TRP   1  37.786  22.877  12.423
    5    HB2  TRP   1           HB2      TRP   1  35.631  22.966  14.562
    6    HB3  TRP   1           HB1      TRP   1  37.081  21.935  14.499
    7    HD1  TRP   1           HD1      TRP   1  39.398  23.776  14.051
    8    HE1  TRP   1           HE1      TRP   1  40.071  25.694  15.673
    9    HE3  TRP   1           HE3      TRP   1  34.912  24.431  16.427
   10    HZ2  TRP   1           HZ2      TRP   1  38.805  27.278  17.717
   11    HZ3  TRP   1           HZ3      TRP   1  34.666  26.152  18.211
   12    HH2  TRP   1           HH2      TRP   1  36.607  27.574  18.857
   13    H    LEU   2           HN       LEU   2  37.232  21.511  10.862
   14    HA   LEU   2           HA       LEU   2  34.547  21.269   9.869
   15    HB2  LEU   2           HB2      LEU   2  36.875  20.721   8.761
   16    HB3  LEU   2           HB1      LEU   2  36.646  19.116   9.485
   17    HG   LEU   2           HG       LEU   2  34.699  20.527   7.601
   18   HD11  LEU   2          HD11      LEU   2  36.807  19.691   6.543
   19   HD12  LEU   2          HD12      LEU   2  35.369  18.801   5.989
   20   HD13  LEU   2          HD13      LEU   2  36.462  18.070   7.190
   21   HD21  LEU   2          HD21      LEU   2  33.694  18.109   7.604
   22   HD22  LEU   2          HD22      LEU   2  33.350  19.157   8.996
   23   HD23  LEU   2          HD23      LEU   2  34.597  17.893   9.124
   24    H    ARG   3           HN       ARG   3  36.540  18.692  11.320
   25    HA   ARG   3           HA       ARG   3  34.630  17.972  13.347
   26    HB2  ARG   3           HB2      ARG   3  33.340  17.243  11.305
   27    HB3  ARG   3           HB1      ARG   3  34.681  16.141  10.911
   28    HG2  ARG   3           HG2      ARG   3  34.394  14.996  13.085
   29    HG3  ARG   3           HG1      ARG   3  33.066  16.107  13.500
   30    HD2  ARG   3           HD2      ARG   3  31.720  15.290  11.647
   31    HD3  ARG   3           HD1      ARG   3  33.074  14.304  11.042
   32    HE   ARG   3           HE       ARG   3  32.562  13.496  13.717
   33   HH11  ARG   3          HH11      ARG   3  29.739  13.678  13.233
   34   HH12  ARG   3          HH12      ARG   3  29.349  12.226  12.373
   35   HH21  ARG   3          HH21      ARG   3  32.633  11.561  11.478
   36   HH22  ARG   3          HH22      ARG   3  30.987  11.028  11.380
   37    H    ARG   4           HN       ARG   4  37.312  17.456  11.259
   38    HA   ARG   4           HA       ARG   4  38.835  16.159  13.428
   39    HB2  ARG   4           HB2      ARG   4  38.268  14.792  10.764
   40    HB3  ARG   4           HB1      ARG   4  39.632  14.349  11.816
   41    HG2  ARG   4           HG2      ARG   4  37.941  13.998  13.692
   42    HG3  ARG   4           HG1      ARG   4  36.659  14.194  12.472
   43    HD2  ARG   4           HD2      ARG   4  38.903  12.134  12.334
   44    HD3  ARG   4           HD1      ARG   4  37.233  11.797  12.852
   45    HE   ARG   4           HE       ARG   4  37.188  13.051  10.271
   46   HH11  ARG   4          HH11      ARG   4  35.448  10.981  10.129
   47   HH12  ARG   4          HH12      ARG   4  36.306   9.603   9.525
   48   HH21  ARG   4          HH21      ARG   4  39.439  10.907  10.239
   49   HH22  ARG   4          HH22      ARG   4  38.565   9.561   9.587
   50    H    ILE   5           HN       ILE   5  38.470  18.476  11.222
   51    HA   ILE   5           HA       ILE   5  39.928  19.906  10.139
   52    HB   ILE   5           HB       ILE   5  42.186  18.543  11.665
   53   HG12  ILE   5          HG12      ILE   5  40.594  19.049  13.368
   54   HG13  ILE   5          HG11      ILE   5  41.739  20.403  13.397
   55   HG21  ILE   5          HG21      ILE   5  43.077  20.052  10.069
   56   HG22  ILE   5          HG22      ILE   5  43.063  20.977  11.585
   57   HG23  ILE   5          HG23      ILE   5  41.813  21.263  10.355
   58   HD11  ILE   5           HD1      ILE   5  39.560  21.386  13.523
   59   HD12  ILE   5           HD2      ILE   5  38.928  20.340  12.231
   60   HD13  ILE   5           HD3      ILE   5  40.084  21.634  11.844
   61    H    GLY   6           HN       GLY   6  40.097  19.551   8.033
   62    HA2  GLY   6           HA1      GLY   6  40.939  18.739   6.038
   63    HA3  GLY   6           HA2      GLY   6  42.336  18.133   6.949
   64    H    LYS   7           HN       LYS   7  38.828  17.347   6.931
   65    HA   LYS   7           HA       LYS   7  39.316  14.535   7.305
   66    HB2  LYS   7           HB2      LYS   7  37.178  15.732   7.863
   67    HB3  LYS   7           HB1      LYS   7  36.848  15.864   6.119
   68    HG2  LYS   7           HG2      LYS   7  36.835  13.439   5.879
   69    HG3  LYS   7           HG1      LYS   7  37.348  13.230   7.571
   70    HD2  LYS   7           HD2      LYS   7  35.251  14.333   8.331
   71    HD3  LYS   7           HD1      LYS   7  34.731  14.487   6.636
   72    HE2  LYS   7           HE2      LYS   7  35.440  11.821   7.925
   73    HE3  LYS   7           HE1      LYS   7  33.783  12.470   7.874
   74    HZ1  LYS   7           HZ1      LYS   7  34.209  12.707   5.382
   75    HZ2  LYS   7           HZ2      LYS   7  33.946  11.142   5.987
   76    HZ3  LYS   7           HZ3      LYS   7  35.523  11.659   5.618
   77    H    GLY   8           HN       GLY   8  39.015  12.789   5.849
   78    HA2  GLY   8           HA1      GLY   8  39.224  11.713   3.810
   79    HA3  GLY   8           HA2      GLY   8  38.610  13.186   3.031
   80    H    VAL   9           HN       VAL   9  40.025  13.079   1.292
   81    HA   VAL   9           HA       VAL   9  42.895  12.833   1.696
   82    HB   VAL   9           HB       VAL   9  41.308  13.827  -0.716
   83   HG11  VAL   9          HG11      VAL   9  43.571  14.635  -0.917
   84   HG12  VAL   9          HG12      VAL   9  43.472  13.166  -1.917
   85   HG13  VAL   9          HG13      VAL   9  44.239  13.101  -0.312
   86   HG21  VAL   9          HG21      VAL   9  41.637  11.559  -1.569
   87   HG22  VAL   9          HG22      VAL   9  40.856  11.467   0.027
   88   HG23  VAL   9          HG23      VAL   9  42.595  11.123  -0.133
   89    H    LYS  10           HN       LYS  10  41.510  15.518  -0.164
   90    HA   LYS  10           HA       LYS  10  42.157  17.575   1.754
   91    HB2  LYS  10           HB2      LYS  10  44.477  16.755   1.097
   92    HB3  LYS  10           HB1      LYS  10  44.129  17.335  -0.548
   93    HG2  LYS  10           HG2      LYS  10  43.678  19.611   0.372
   94    HG3  LYS  10           HG1      LYS  10  44.107  19.020   1.995
   95    HD2  LYS  10           HD2      LYS  10  46.372  18.443   1.209
   96    HD3  LYS  10           HD1      LYS  10  45.951  18.978  -0.436
   97    HE2  LYS  10           HE2      LYS  10  45.465  21.265   0.483
   98    HE3  LYS  10           HE1      LYS  10  46.036  20.709   2.075
   99    HZ1  LYS  10           HZ1      LYS  10  48.110  21.069   1.429
  100    HZ2  LYS  10           HZ2      LYS  10  47.559  21.656  -0.069
  101    HZ3  LYS  10           HZ3      LYS  10  47.933  20.009   0.117
  102    H    ILE  11           HN       ILE  11  41.442  16.437  -1.466
  103    HA   ILE  11           HA       ILE  11  40.055  19.048  -2.047
  104    HB   ILE  11           HB       ILE  11  41.487  17.333  -4.122
  105   HG12  ILE  11          HG12      ILE  11  43.018  18.585  -2.424
  106   HG13  ILE  11          HG11      ILE  11  43.311  18.849  -4.151
  107   HG21  ILE  11          HG21      ILE  11  39.654  18.530  -5.093
  108   HG22  ILE  11          HG22      ILE  11  41.126  19.440  -5.511
  109   HG23  ILE  11          HG23      ILE  11  40.061  20.020  -4.208
  110   HD11  ILE  11           HD1      ILE  11  41.586  20.717  -2.465
  111   HD12  ILE  11           HD2      ILE  11  42.223  21.002  -4.100
  112   HD13  ILE  11           HD3      ILE  11  43.329  20.950  -2.710
  113    H    ILE  12           HN       ILE  12  40.410  15.588  -2.872
  114    HA   ILE  12           HA       ILE  12  37.756  15.472  -4.096
  115    HB   ILE  12           HB       ILE  12  39.622  13.284  -3.123
  116   HG12  ILE  12          HG12      ILE  12  39.238  14.308  -5.978
  117   HG13  ILE  12          HG11      ILE  12  40.515  14.915  -4.904
  118   HG21  ILE  12          HG21      ILE  12  38.306  11.951  -4.935
  119   HG22  ILE  12          HG22      ILE  12  37.119  13.272  -4.864
  120   HG23  ILE  12          HG23      ILE  12  37.460  12.297  -3.416
  121   HD11  ILE  12           HD1      ILE  12  40.241  12.191  -6.195
  122   HD12  ILE  12           HD2      ILE  12  41.087  12.310  -4.634
  123   HD13  ILE  12           HD3      ILE  12  41.674  13.227  -6.037
  124    H    GLY  13           HN       GLY  13  38.717  13.028  -1.724
  125    HA2  GLY  13           HA1      GLY  13  36.184  13.027  -0.401
  126    HA3  GLY  13           HA2      GLY  13  37.701  12.363   0.251
  127    H    GLY  14           HN       GLY  14  38.606  15.207  -0.632
  128    HA2  GLY  14           HA1      GLY  14  38.466  16.397   2.058
  129    HA3  GLY  14           HA2      GLY  14  39.341  17.030   0.645
  130    H    ALA  15           HN       ALA  15  37.361  17.191  -1.301
  131    HA   ALA  15           HA       ALA  15  35.753  19.455  -0.175
  132    HB1  ALA  15           HB1      ALA  15  35.842  18.357  -3.012
  133    HB2  ALA  15           HB2      ALA  15  36.886  19.666  -2.400
  134    HB3  ALA  15           HB3      ALA  15  35.125  19.893  -2.479
  135    H    ALA  16           HN       ALA  16  35.401  16.668   0.644
  136    HA   ALA  16           HA       ALA  16  33.584  15.387   1.270
  137    HB1  ALA  16           HB1      ALA  16  31.690  16.969  -0.480
  138    HB2  ALA  16           HB2      ALA  16  32.336  17.691   1.013
  139    HB3  ALA  16           HB3      ALA  16  31.393  16.184   1.089
  140    H    LEU  17           HN       LEU  17  35.342  14.729  -0.857
  141    HA   LEU  17           HA       LEU  17  35.436  13.208  -2.621
  142    HB2  LEU  17           HB2      LEU  17  33.870  11.986  -0.925
  143    HB3  LEU  17           HB1      LEU  17  32.561  12.435  -2.039
  144    HG   LEU  17           HG       LEU  17  34.217  11.391  -3.887
  145   HD11  LEU  17          HD11      LEU  17  34.940   9.726  -1.438
  146   HD12  LEU  17          HD12      LEU  17  36.000  11.004  -2.072
  147   HD13  LEU  17          HD13      LEU  17  35.600   9.598  -3.084
  148   HD21  LEU  17          HD21      LEU  17  32.485   9.801  -1.942
  149   HD22  LEU  17          HD22      LEU  17  33.127   9.139  -3.464
  150   HD23  LEU  17          HD23      LEU  17  31.991  10.508  -3.498
  151    H    ASP  18           HN       ASP  18  34.974  15.752  -3.407
  152    HA   ASP  18           HA       ASP  18  34.204  16.999  -5.196
  153    HB2  ASP  18           HB2      ASP  18  35.054  14.984  -6.444
  154    HB3  ASP  18           HB1      ASP  18  33.400  14.329  -6.414
  155    H    HIS  19           HN       HIS  19  31.838  14.328  -5.497
  156    HA   HIS  19           HA       HIS  19  29.709  15.929  -4.258
  157    HB2  HIS  19           HB2      HIS  19  29.826  16.980  -6.490
  158    HB3  HIS  19           HB1      HIS  19  29.647  15.383  -7.255
  159    HD1  HIS  19           HD1      HIS  19  27.323  15.316  -8.180
  160    HD2  HIS  19           HD2      HIS  19  27.442  16.932  -4.300
  161    HE1  HIS  19           HE1      HIS  19  24.908  15.716  -7.448
  162    H    LEU  20           HN       LEU  20  30.484  13.622  -3.297
  163    HA   LEU  20           HA       LEU  20  29.832  11.444  -2.834
  164    HB2  LEU  20           HB2      LEU  20  27.161  12.116  -4.112
  165    HB3  LEU  20           HB1      LEU  20  27.497  11.050  -2.727
  166    HG   LEU  20           HG       LEU  20  27.792  14.086  -2.796
  167   HD11  LEU  20          HD11      LEU  20  25.462  13.260  -2.636
  168   HD12  LEU  20          HD12      LEU  20  25.983  14.003  -1.105
  169   HD13  LEU  20          HD13      LEU  20  25.919  12.231  -1.258
  170   HD21  LEU  20          HD21      LEU  20  29.544  13.272  -1.375
  171   HD22  LEU  20          HD22      LEU  20  28.505  11.994  -0.697
  172   HD23  LEU  20          HD23      LEU  20  28.212  13.699  -0.276
  Start of MODEL   37
    1    H1   TRP   1           HT1      TRP   1  38.256  14.872  16.547
    2    H2   TRP   1           HT2      TRP   1  37.263  14.961  17.924
    3    H3   TRP   1           HT3      TRP   1  38.420  16.168  17.627
    4    HA   TRP   1           HA       TRP   1  36.496  15.713  15.527
    5    HB2  TRP   1           HB2      TRP   1  35.714  17.147  18.094
    6    HB3  TRP   1           HB1      TRP   1  34.712  16.911  16.642
    7    HD1  TRP   1           HD1      TRP   1  36.171  15.030  19.638
    8    HE1  TRP   1           HE1      TRP   1  34.945  12.756  19.923
    9    HE3  TRP   1           HE3      TRP   1  33.366  15.084  15.354
   10    HZ2  TRP   1           HZ2      TRP   1  33.011  11.196  18.465
   11    HZ3  TRP   1           HZ3      TRP   1  31.839  13.192  14.822
   12    HH2  TRP   1           HH2      TRP   1  31.658  11.250  16.371
   13    H    LEU   2           HN       LEU   2  37.629  16.949  14.124
   14    HA   LEU   2           HA       LEU   2  39.040  19.341  14.933
   15    HB2  LEU   2           HB2      LEU   2  38.108  18.713  12.115
   16    HB3  LEU   2           HB1      LEU   2  39.552  19.618  12.630
   17    HG   LEU   2           HG       LEU   2  39.042  16.634  13.017
   18   HD11  LEU   2          HD11      LEU   2  40.986  16.407  11.492
   19   HD12  LEU   2          HD12      LEU   2  41.073  18.179  11.342
   20   HD13  LEU   2          HD13      LEU   2  39.659  17.300  10.713
   21   HD21  LEU   2          HD21      LEU   2  41.255  18.490  13.989
   22   HD22  LEU   2          HD22      LEU   2  41.509  16.738  13.805
   23   HD23  LEU   2          HD23      LEU   2  40.281  17.342  14.939
   24    H    ARG   3           HN       ARG   3  36.354  19.066  12.608
   25    HA   ARG   3           HA       ARG   3  34.787  21.137  13.981
   26    HB2  ARG   3           HB2      ARG   3  36.545  22.429  12.666
   27    HB3  ARG   3           HB1      ARG   3  35.842  21.732  11.186
   28    HG2  ARG   3           HG2      ARG   3  33.620  22.684  11.830
   29    HG3  ARG   3           HG1      ARG   3  34.382  23.443  13.249
   30    HD2  ARG   3           HD2      ARG   3  35.131  23.948  10.334
   31    HD3  ARG   3           HD1      ARG   3  34.211  25.055  11.382
   32    HE   ARG   3           HE       ARG   3  36.646  24.482  12.714
   33   HH11  ARG   3          HH11      ARG   3  35.384  27.129  11.556
   34   HH12  ARG   3          HH12      ARG   3  36.746  27.721  10.664
   35   HH21  ARG   3          HH21      ARG   3  38.474  24.718  10.804
   36   HH22  ARG   3          HH22      ARG   3  38.496  26.355  10.238
   37    H    ARG   4           HN       ARG   4  35.443  18.778  11.566
   38    HA   ARG   4           HA       ARG   4  32.548  18.221  11.261
   39    HB2  ARG   4           HB2      ARG   4  34.376  18.861   8.905
   40    HB3  ARG   4           HB1      ARG   4  32.769  18.110   8.765
   41    HG2  ARG   4           HG2      ARG   4  31.844  20.127  10.036
   42    HG3  ARG   4           HG1      ARG   4  33.440  20.886   9.822
   43    HD2  ARG   4           HD2      ARG   4  33.234  20.616   7.362
   44    HD3  ARG   4           HD1      ARG   4  31.625  19.889   7.584
   45    HE   ARG   4           HE       ARG   4  31.554  22.384   8.899
   46   HH11  ARG   4          HH11      ARG   4  29.508  22.098   6.981
   47   HH12  ARG   4          HH12      ARG   4  30.005  23.051   5.624
   48   HH21  ARG   4          HH21      ARG   4  33.327  23.201   6.609
   49   HH22  ARG   4          HH22      ARG   4  32.168  23.675   5.413
   50    H    ILE   5           HN       ILE   5  35.574  17.286  11.971
   51    HA   ILE   5           HA       ILE   5  36.796  15.319  11.774
   52    HB   ILE   5           HB       ILE   5  35.078  14.742  13.452
   53   HG12  ILE   5          HG12      ILE   5  35.327  12.189  11.832
   54   HG13  ILE   5          HG11      ILE   5  36.829  13.012  12.312
   55   HG21  ILE   5          HG21      ILE   5  33.148  13.249  12.680
   56   HG22  ILE   5          HG22      ILE   5  33.494  13.794  11.027
   57   HG23  ILE   5          HG23      ILE   5  33.009  14.970  12.272
   58   HD11  ILE   5           HD1      ILE   5  36.162  11.337  13.995
   59   HD12  ILE   5           HD2      ILE   5  34.590  12.145  14.196
   60   HD13  ILE   5           HD3      ILE   5  36.087  12.977  14.680
   61    H    GLY   6           HN       GLY   6  35.531  16.403   9.212
   62    HA2  GLY   6           HA1      GLY   6  34.977  14.060   7.588
   63    HA3  GLY   6           HA2      GLY   6  35.270  15.713   7.009
   64    H    LYS   7           HN       LYS   7  37.766  16.281   7.920
   65    HA   LYS   7           HA       LYS   7  39.970  16.032   7.287
   66    HB2  LYS   7           HB2      LYS   7  40.029  14.295   8.958
   67    HB3  LYS   7           HB1      LYS   7  39.253  13.131   7.865
   68    HG2  LYS   7           HG2      LYS   7  41.759  12.834   8.129
   69    HG3  LYS   7           HG1      LYS   7  41.217  13.032   6.449
   70    HD2  LYS   7           HD2      LYS   7  41.992  15.288   6.345
   71    HD3  LYS   7           HD1      LYS   7  42.146  15.404   8.115
   72    HE2  LYS   7           HE2      LYS   7  43.967  13.698   8.042
   73    HE3  LYS   7           HE1      LYS   7  43.831  13.654   6.268
   74    HZ1  LYS   7           HZ1      LYS   7  45.565  15.199   7.365
   75    HZ2  LYS   7           HZ2      LYS   7  44.243  16.223   7.664
   76    HZ3  LYS   7           HZ3      LYS   7  44.643  15.791   6.070
   77    H    GLY   8           HN       GLY   8  38.912  12.897   5.948
   78    HA2  GLY   8           HA1      GLY   8  38.952  12.107   3.776
   79    HA3  GLY   8           HA2      GLY   8  38.551  13.758   3.263
   80    H    VAL   9           HN       VAL   9  39.875  13.283   1.383
   81    HA   VAL   9           HA       VAL   9  42.741  12.859   1.754
   82    HB   VAL   9           HB       VAL   9  41.155  13.726  -0.707
   83   HG11  VAL   9          HG11      VAL   9  43.244  12.821  -1.881
   84   HG12  VAL   9          HG12      VAL   9  44.045  12.856  -0.291
   85   HG13  VAL   9          HG13      VAL   9  43.455  14.367  -1.026
   86   HG21  VAL   9          HG21      VAL   9  41.283  11.383  -1.349
   87   HG22  VAL   9          HG22      VAL   9  40.598  11.470   0.292
   88   HG23  VAL   9          HG23      VAL   9  42.302  11.007   0.061
   89    H    LYS  10           HN       LYS  10  41.389  15.458  -0.265
   90    HA   LYS  10           HA       LYS  10  42.276  17.619   1.433
   91    HB2  LYS  10           HB2      LYS  10  44.501  16.665   0.734
   92    HB3  LYS  10           HB1      LYS  10  44.066  17.026  -0.954
   93    HG2  LYS  10           HG2      LYS  10  43.825  19.414  -0.408
   94    HG3  LYS  10           HG1      LYS  10  44.188  19.076   1.302
   95    HD2  LYS  10           HD2      LYS  10  46.425  18.242   0.680
   96    HD3  LYS  10           HD1      LYS  10  46.066  18.533  -1.039
   97    HE2  LYS  10           HE2      LYS  10  45.981  20.713   1.087
   98    HE3  LYS  10           HE1      LYS  10  47.412  20.371   0.086
   99    HZ1  LYS  10           HZ1      LYS  10  45.438  20.512  -1.745
  100    HZ2  LYS  10           HZ2      LYS  10  46.467  21.799  -1.334
  101    HZ3  LYS  10           HZ3      LYS  10  44.929  21.675  -0.621
  102    H    ILE  11           HN       ILE  11  41.245  16.276  -1.609
  103    HA   ILE  11           HA       ILE  11  39.980  18.920  -2.311
  104    HB   ILE  11           HB       ILE  11  41.096  16.981  -4.382
  105   HG12  ILE  11          HG12      ILE  11  42.387  19.493  -3.217
  106   HG13  ILE  11          HG11      ILE  11  42.968  17.825  -3.003
  107   HG21  ILE  11          HG21      ILE  11  39.243  18.694  -4.920
  108   HG22  ILE  11          HG22      ILE  11  40.705  18.766  -5.928
  109   HG23  ILE  11          HG23      ILE  11  40.465  19.951  -4.621
  110   HD11  ILE  11           HD1      ILE  11  43.040  17.724  -5.605
  111   HD12  ILE  11           HD2      ILE  11  44.297  18.674  -4.777
  112   HD13  ILE  11           HD3      ILE  11  42.916  19.500  -5.536
  113    H    ILE  12           HN       ILE  12  40.081  15.401  -3.004
  114    HA   ILE  12           HA       ILE  12  37.313  15.390  -3.943
  115    HB   ILE  12           HB       ILE  12  39.150  13.126  -3.091
  116   HG12  ILE  12          HG12      ILE  12  38.542  14.039  -5.944
  117   HG13  ILE  12          HG11      ILE  12  39.914  14.690  -5.023
  118   HG21  ILE  12          HG21      ILE  12  36.458  13.214  -4.513
  119   HG22  ILE  12          HG22      ILE  12  36.965  12.191  -3.149
  120   HG23  ILE  12          HG23      ILE  12  37.569  11.853  -4.779
  121   HD11  ILE  12           HD1      ILE  12  40.522  12.128  -4.652
  122   HD12  ILE  12           HD2      ILE  12  40.922  12.919  -6.190
  123   HD13  ILE  12           HD3      ILE  12  39.488  11.880  -6.079
  124    H    GLY  13           HN       GLY  13  38.310  12.914  -1.638
  125    HA2  GLY  13           HA1      GLY  13  35.944  13.101  -0.075
  126    HA3  GLY  13           HA2      GLY  13  37.480  12.380   0.461
  127    H    GLY  14           HN       GLY  14  38.485  15.126  -0.543
  128    HA2  GLY  14           HA1      GLY  14  38.624  16.385   2.106
  129    HA3  GLY  14           HA2      GLY  14  39.396  16.946   0.605
  130    H    ALA  15           HN       ALA  15  37.274  17.180  -1.165
  131    HA   ALA  15           HA       ALA  15  35.865  19.527   0.060
  132    HB1  ALA  15           HB1      ALA  15  35.659  18.399  -2.759
  133    HB2  ALA  15           HB2      ALA  15  36.822  19.653  -2.257
  134    HB3  ALA  15           HB3      ALA  15  35.076  19.977  -2.186
  135    H    ALA  16           HN       ALA  16  35.461  16.769   0.948
  136    HA   ALA  16           HA       ALA  16  33.653  15.563   1.728
  137    HB1  ALA  16           HB1      ALA  16  32.493  17.923   1.571
  138    HB2  ALA  16           HB2      ALA  16  31.492  16.460   1.733
  139    HB3  ALA  16           HB3      ALA  16  31.689  17.231   0.143
  140    H    LEU  17           HN       LEU  17  35.190  14.839  -0.543
  141    HA   LEU  17           HA       LEU  17  35.074  13.283  -2.265
  142    HB2  LEU  17           HB2      LEU  17  33.313  12.347  -0.431
  143    HB3  LEU  17           HB1      LEU  17  32.170  12.635  -1.755
  144    HG   LEU  17           HG       LEU  17  34.726  10.968  -1.961
  145   HD11  LEU  17          HD11      LEU  17  31.785  10.185  -1.770
  146   HD12  LEU  17          HD12      LEU  17  33.051   9.861  -0.561
  147   HD13  LEU  17          HD13      LEU  17  33.111   9.061  -2.149
  148   HD21  LEU  17          HD21      LEU  17  34.136  11.979  -4.109
  149   HD22  LEU  17          HD22      LEU  17  32.435  11.496  -3.908
  150   HD23  LEU  17          HD23      LEU  17  33.691  10.258  -4.143
  151    H    ASP  18           HN       ASP  18  34.823  15.846  -3.026
  152    HA   ASP  18           HA       ASP  18  34.109  17.178  -4.775
  153    HB2  ASP  18           HB2      ASP  18  34.660  15.068  -6.055
  154    HB3  ASP  18           HB1      ASP  18  32.935  14.637  -5.966
  155    H    HIS  19           HN       HIS  19  31.451  14.782  -4.944
  156    HA   HIS  19           HA       HIS  19  29.581  16.602  -3.595
  157    HB2  HIS  19           HB2      HIS  19  28.097  16.890  -5.546
  158    HB3  HIS  19           HB1      HIS  19  29.689  17.631  -5.841
  159    HD1  HIS  19           HD1      HIS  19  31.463  15.503  -6.823
  160    HD2  HIS  19           HD2      HIS  19  27.397  15.620  -7.892
  161    HE1  HIS  19           HE1      HIS  19  31.190  14.100  -8.941
  162    H    LEU  20           HN       LEU  20  30.420  14.022  -2.985
  163    HA   LEU  20           HA       LEU  20  29.602  11.893  -2.564
  164    HB2  LEU  20           HB2      LEU  20  26.820  13.029  -2.993
  165    HB3  LEU  20           HB1      LEU  20  27.345  11.768  -1.852
  166    HG   LEU  20           HG       LEU  20  28.032  14.738  -1.737
  167   HD11  LEU  20          HD11      LEU  20  26.443  12.914   0.124
  168   HD12  LEU  20          HD12      LEU  20  25.746  14.122  -0.982
  169   HD13  LEU  20          HD13      LEU  20  26.761  14.646   0.383
  170   HD21  LEU  20          HD21      LEU  20  29.079  14.010   0.510
  171   HD22  LEU  20          HD22      LEU  20  29.985  13.583  -0.960
  172   HD23  LEU  20          HD23      LEU  20  29.016  12.347  -0.123
  Start of MODEL   38
    1    H1   TRP   1           HT1      TRP   1  35.787   2.922  13.283
    2    H2   TRP   1           HT2      TRP   1  36.996   2.755  12.101
    3    H3   TRP   1           HT3      TRP   1  35.449   2.106  11.837
    4    HA   TRP   1           HA       TRP   1  35.272   3.963  10.617
    5    HB2  TRP   1           HB2      TRP   1  34.075   5.680  11.974
    6    HB3  TRP   1           HB1      TRP   1  33.507   4.027  12.306
    7    HD1  TRP   1           HD1      TRP   1  33.998   3.005  14.666
    8    HE1  TRP   1           HE1      TRP   1  34.853   3.983  16.918
    9    HE3  TRP   1           HE3      TRP   1  35.716   7.524  12.983
   10    HZ2  TRP   1           HZ2      TRP   1  36.110   6.407  17.832
   11    HZ3  TRP   1           HZ3      TRP   1  36.739   9.154  14.563
   12    HH2  TRP   1           HH2      TRP   1  36.938   8.600  16.984
   13    H    LEU   2           HN       LEU   2  36.481   5.466   9.677
   14    HA   LEU   2           HA       LEU   2  38.978   6.296  10.836
   15    HB2  LEU   2           HB2      LEU   2  37.359   7.183   8.430
   16    HB3  LEU   2           HB1      LEU   2  38.867   8.015   8.878
   17    HG   LEU   2           HG       LEU   2  40.095   5.867   8.760
   18   HD11  LEU   2          HD11      LEU   2  38.807   3.934   7.603
   19   HD12  LEU   2          HD12      LEU   2  37.327   4.796   8.089
   20   HD13  LEU   2          HD13      LEU   2  38.470   4.219   9.325
   21   HD21  LEU   2          HD21      LEU   2  39.761   7.371   6.739
   22   HD22  LEU   2          HD22      LEU   2  38.427   6.302   6.245
   23   HD23  LEU   2          HD23      LEU   2  40.087   5.666   6.343
   24    H    ARG   3           HN       ARG   3  36.675   8.650   9.591
   25    HA   ARG   3           HA       ARG   3  36.082   9.876  12.148
   26    HB2  ARG   3           HB2      ARG   3  38.493  10.535  11.903
   27    HB3  ARG   3           HB1      ARG   3  38.078  11.340  10.371
   28    HG2  ARG   3           HG2      ARG   3  36.578  12.874  11.500
   29    HG3  ARG   3           HG1      ARG   3  36.741  11.981  13.033
   30    HD2  ARG   3           HD2      ARG   3  39.048  13.349  11.581
   31    HD3  ARG   3           HD1      ARG   3  38.154  14.061  12.946
   32    HE   ARG   3           HE       ARG   3  40.158  11.939  13.122
   33   HH11  ARG   3          HH11      ARG   3  39.078  14.255  15.017
   34   HH12  ARG   3          HH12      ARG   3  38.635  13.290  16.387
   35   HH21  ARG   3          HH21      ARG   3  38.835  10.284  14.668
   36   HH22  ARG   3          HH22      ARG   3  38.499  11.042  16.189
   37    H    ARG   4           HN       ARG   4  36.078   9.558   8.759
   38    HA   ARG   4           HA       ARG   4  33.560  11.121   8.562
   39    HB2  ARG   4           HB2      ARG   4  35.908  11.609   6.679
   40    HB3  ARG   4           HB1      ARG   4  34.311  12.394   6.630
   41    HG2  ARG   4           HG2      ARG   4  34.777  13.247   8.988
   42    HG3  ARG   4           HG1      ARG   4  36.447  12.664   8.783
   43    HD2  ARG   4           HD2      ARG   4  36.336  15.038   8.187
   44    HD3  ARG   4           HD1      ARG   4  36.654  14.073   6.727
   45    HE   ARG   4           HE       ARG   4  33.813  14.491   7.081
   46   HH11  ARG   4          HH11      ARG   4  34.545  17.271   7.402
   47   HH12  ARG   4          HH12      ARG   4  34.770  17.838   5.781
   48   HH21  ARG   4          HH21      ARG   4  35.062  14.660   4.426
   49   HH22  ARG   4          HH22      ARG   4  35.061  16.360   4.096
   50    H    ILE   5           HN       ILE   5  35.404   8.412   8.048
   51    HA   ILE   5           HA       ILE   5  35.124   6.534   6.719
   52    HB   ILE   5           HB       ILE   5  32.370   7.655   6.048
   53   HG12  ILE   5          HG12      ILE   5  32.502   7.774   8.436
   54   HG13  ILE   5          HG11      ILE   5  31.624   6.276   8.081
   55   HG21  ILE   5          HG21      ILE   5  32.745   5.751   4.708
   56   HG22  ILE   5          HG22      ILE   5  31.879   5.087   6.108
   57   HG23  ILE   5          HG23      ILE   5  33.640   4.893   5.977
   58   HD11  ILE   5           HD1      ILE   5  33.196   5.684   9.769
   59   HD12  ILE   5           HD2      ILE   5  34.505   6.606   8.993
   60   HD13  ILE   5           HD3      ILE   5  33.926   5.093   8.262
   61    H    GLY   6           HN       GLY   6  36.760   7.830   5.384
   62    HA2  GLY   6           HA1      GLY   6  36.417   7.346   2.686
   63    HA3  GLY   6           HA2      GLY   6  35.765   8.984   2.892
   64    H    LYS   7           HN       LYS   7  37.968   8.761   5.283
   65    HA   LYS   7           HA       LYS   7  40.044   9.773   5.540
   66    HB2  LYS   7           HB2      LYS   7  40.610   7.545   4.437
   67    HB3  LYS   7           HB1      LYS   7  40.740   8.433   2.900
   68    HG2  LYS   7           HG2      LYS   7  42.379  10.008   4.129
   69    HG3  LYS   7           HG1      LYS   7  42.414   8.785   5.419
   70    HD2  LYS   7           HD2      LYS   7  43.139   8.336   2.489
   71    HD3  LYS   7           HD1      LYS   7  44.279   8.422   3.852
   72    HE2  LYS   7           HE2      LYS   7  42.213   6.280   3.251
   73    HE3  LYS   7           HE1      LYS   7  43.964   6.095   3.493
   74    HZ1  LYS   7           HZ1      LYS   7  42.648   5.399   5.434
   75    HZ2  LYS   7           HZ2      LYS   7  42.047   6.981   5.592
   76    HZ3  LYS   7           HZ3      LYS   7  43.705   6.675   5.798
   77    H    GLY   8           HN       GLY   8  38.810  11.820   5.062
   78    HA2  GLY   8           HA1      GLY   8  38.718  13.095   2.585
   79    HA3  GLY   8           HA2      GLY   8  38.923  13.937   4.134
   80    H    VAL   9           HN       VAL   9  40.244  13.376   1.112
   81    HA   VAL   9           HA       VAL   9  43.068  13.472   1.855
   82    HB   VAL   9           HB       VAL   9  41.704  14.027  -0.819
   83   HG11  VAL   9          HG11      VAL   9  43.896  15.031  -0.840
   84   HG12  VAL   9          HG12      VAL   9  44.050  13.468  -1.676
   85   HG13  VAL   9          HG13      VAL   9  44.611  13.639   0.005
   86   HG21  VAL   9          HG21      VAL   9  42.425  11.715  -1.350
   87   HG22  VAL   9          HG22      VAL   9  41.329  11.734   0.052
   88   HG23  VAL   9          HG23      VAL   9  43.082  11.541   0.295
   89    H    LYS  10           HN       LYS  10  41.541  15.772  -0.399
   90    HA   LYS  10           HA       LYS  10  41.834  18.066   1.333
   91    HB2  LYS  10           HB2      LYS  10  44.262  17.451   0.861
   92    HB3  LYS  10           HB1      LYS  10  43.945  17.851  -0.842
   93    HG2  LYS  10           HG2      LYS  10  43.178  20.128  -0.134
   94    HG3  LYS  10           HG1      LYS  10  43.610  19.731   1.543
   95    HD2  LYS  10           HD2      LYS  10  45.695  19.423  -0.652
   96    HD3  LYS  10           HD1      LYS  10  45.337  21.038  -0.005
   97    HE2  LYS  10           HE2      LYS  10  46.043  18.662   1.770
   98    HE3  LYS  10           HE1      LYS  10  47.246  19.814   1.150
   99    HZ1  LYS  10           HZ1      LYS  10  46.573  20.565   3.278
  100    HZ2  LYS  10           HZ2      LYS  10  44.923  20.394   2.911
  101    HZ3  LYS  10           HZ3      LYS  10  45.844  21.603   2.153
  102    H    ILE  11           HN       ILE  11  41.416  16.564  -1.796
  103    HA   ILE  11           HA       ILE  11  39.966  19.035  -2.762
  104    HB   ILE  11           HB       ILE  11  41.204  16.904  -4.558
  105   HG12  ILE  11          HG12      ILE  11  42.851  19.046  -4.951
  106   HG13  ILE  11          HG11      ILE  11  42.461  19.332  -3.243
  107   HG21  ILE  11          HG21      ILE  11  40.229  19.757  -5.035
  108   HG22  ILE  11          HG22      ILE  11  39.364  18.269  -5.488
  109   HG23  ILE  11          HG23      ILE  11  40.911  18.672  -6.269
  110   HD11  ILE  11           HD1      ILE  11  43.835  16.935  -4.506
  111   HD12  ILE  11           HD2      ILE  11  43.075  16.810  -2.905
  112   HD13  ILE  11           HD3      ILE  11  44.400  17.966  -3.172
  113    H    ILE  12           HN       ILE  12  40.175  15.493  -3.385
  114    HA   ILE  12           HA       ILE  12  37.377  15.406  -4.212
  115    HB   ILE  12           HB       ILE  12  39.309  13.181  -3.478
  116   HG12  ILE  12          HG12      ILE  12  38.607  13.961  -6.339
  117   HG13  ILE  12          HG11      ILE  12  39.845  14.888  -5.466
  118   HG21  ILE  12          HG21      ILE  12  37.225  12.084  -3.518
  119   HG22  ILE  12          HG22      ILE  12  37.656  11.968  -5.234
  120   HG23  ILE  12          HG23      ILE  12  36.524  13.224  -4.689
  121   HD11  ILE  12           HD1      ILE  12  39.962  11.853  -5.584
  122   HD12  ILE  12           HD2      ILE  12  41.267  13.006  -5.222
  123   HD13  ILE  12           HD3      ILE  12  40.640  12.862  -6.882
  124    H    GLY  13           HN       GLY  13  38.444  12.848  -2.063
  125    HA2  GLY  13           HA1      GLY  13  36.150  12.904  -0.422
  126    HA3  GLY  13           HA2      GLY  13  37.726  12.235   0.056
  127    H    GLY  14           HN       GLY  14  38.636  15.033  -0.822
  128    HA2  GLY  14           HA1      GLY  14  38.726  16.192   1.872
  129    HA3  GLY  14           HA2      GLY  14  39.472  16.843   0.395
  130    H    ALA  15           HN       ALA  15  37.356  17.094  -1.369
  131    HA   ALA  15           HA       ALA  15  35.847  19.314  -0.030
  132    HB1  ALA  15           HB1      ALA  15  36.815  19.586  -2.340
  133    HB2  ALA  15           HB2      ALA  15  35.063  19.873  -2.245
  134    HB3  ALA  15           HB3      ALA  15  35.675  18.341  -2.908
  135    H    ALA  16           HN       ALA  16  35.537  16.520   0.731
  136    HA   ALA  16           HA       ALA  16  33.771  15.214   1.441
  137    HB1  ALA  16           HB1      ALA  16  31.763  16.872  -0.101
  138    HB2  ALA  16           HB2      ALA  16  32.521  17.527   1.369
  139    HB3  ALA  16           HB3      ALA  16  31.575  16.022   1.450
  140    H    LEU  17           HN       LEU  17  35.352  14.641  -0.850
  141    HA   LEU  17           HA       LEU  17  35.306  13.145  -2.628
  142    HB2  LEU  17           HB2      LEU  17  33.596  12.066  -0.831
  143    HB3  LEU  17           HB1      LEU  17  32.431  12.361  -2.136
  144    HG   LEU  17           HG       LEU  17  35.054  10.819  -2.455
  145   HD11  LEU  17          HD11      LEU  17  33.443   9.630  -1.007
  146   HD12  LEU  17          HD12      LEU  17  33.589   8.825  -2.588
  147   HD13  LEU  17          HD13      LEU  17  32.173   9.844  -2.233
  148   HD21  LEU  17          HD21      LEU  17  32.660  11.275  -4.295
  149   HD22  LEU  17          HD22      LEU  17  33.967  10.110  -4.613
  150   HD23  LEU  17          HD23      LEU  17  34.325  11.850  -4.553
  151    H    ASP  18           HN       ASP  18  34.888  15.756  -3.264
  152    HA   ASP  18           HA       ASP  18  34.028  17.138  -4.915
  153    HB2  ASP  18           HB2      ASP  18  33.526  14.437  -6.223
  154    HB3  ASP  18           HB1      ASP  18  33.377  16.002  -7.058
  155    H    HIS  19           HN       HIS  19  31.762  14.506  -5.655
  156    HA   HIS  19           HA       HIS  19  29.567  15.743  -4.156
  157    HB2  HIS  19           HB2      HIS  19  29.807  17.225  -6.197
  158    HB3  HIS  19           HB1      HIS  19  29.422  15.804  -7.195
  159    HD1  HIS  19           HD1      HIS  19  27.381  17.836  -7.601
  160    HD2  HIS  19           HD2      HIS  19  27.217  15.274  -4.272
  161    HE1  HIS  19           HE1      HIS  19  24.977  17.862  -6.739
  162    H    LEU  20           HN       LEU  20  30.553  13.251  -3.873
  163    HA   LEU  20           HA       LEU  20  30.009  10.996  -4.000
  164    HB2  LEU  20           HB2      LEU  20  27.315  12.356  -4.353
  165    HB3  LEU  20           HB1      LEU  20  27.458  10.584  -4.297
  166    HG   LEU  20           HG       LEU  20  28.626  10.776  -2.090
  167   HD11  LEU  20          HD11      LEU  20  29.609  12.944  -2.113
  168   HD12  LEU  20          HD12      LEU  20  28.288  13.080  -0.932
  169   HD13  LEU  20          HD13      LEU  20  28.083  13.732  -2.577
  170   HD21  LEU  20          HD21      LEU  20  25.943  12.228  -2.152
  171   HD22  LEU  20          HD22      LEU  20  26.613  11.273  -0.808
  172   HD23  LEU  20          HD23      LEU  20  26.130  10.467  -2.319
  Start of MODEL   39
    1    H1   TRP   1           HT1      TRP   1  36.581  21.636   7.076
    2    H2   TRP   1           HT2      TRP   1  36.062  22.238   8.578
    3    H3   TRP   1           HT3      TRP   1  34.946  21.532   7.510
    4    HA   TRP   1           HA       TRP   1  37.238  20.057   8.611
    5    HB2  TRP   1           HB2      TRP   1  34.399  20.165   9.704
    6    HB3  TRP   1           HB1      TRP   1  35.735  19.163  10.318
    7    HD1  TRP   1           HD1      TRP   1  38.086  20.983  10.629
    8    HE1  TRP   1           HE1      TRP   1  38.116  23.076  12.173
    9    HE3  TRP   1           HE3      TRP   1  33.046  21.817  10.955
   10    HZ2  TRP   1           HZ2      TRP   1  36.190  24.851  13.369
   11    HZ3  TRP   1           HZ3      TRP   1  32.164  23.716  12.304
   12    HH2  TRP   1           HH2      TRP   1  33.729  25.232  13.510
   13    H    LEU   2           HN       LEU   2  36.810  17.726   8.555
   14    HA   LEU   2           HA       LEU   2  35.792  16.939   5.967
   15    HB2  LEU   2           HB2      LEU   2  36.282  15.094   8.327
   16    HB3  LEU   2           HB1      LEU   2  36.429  14.729   6.591
   17    HG   LEU   2           HG       LEU   2  38.207  16.591   8.228
   18   HD11  LEU   2          HD11      LEU   2  38.617  14.152   8.504
   19   HD12  LEU   2          HD12      LEU   2  39.961  14.952   7.655
   20   HD13  LEU   2          HD13      LEU   2  38.778  13.988   6.740
   21   HD21  LEU   2          HD21      LEU   2  39.522  16.637   5.986
   22   HD22  LEU   2          HD22      LEU   2  38.045  17.621   6.077
   23   HD23  LEU   2          HD23      LEU   2  38.018  16.054   5.233
   24    H    ARG   3           HN       ARG   3  34.240  17.797   8.782
   25    HA   ARG   3           HA       ARG   3  31.989  17.766   9.314
   26    HB2  ARG   3           HB2      ARG   3  31.731  17.496   6.704
   27    HB3  ARG   3           HB1      ARG   3  31.350  15.803   7.088
   28    HG2  ARG   3           HG2      ARG   3  29.622  16.673   8.746
   29    HG3  ARG   3           HG1      ARG   3  29.900  18.296   8.069
   30    HD2  ARG   3           HD2      ARG   3  28.844  15.831   6.632
   31    HD3  ARG   3           HD1      ARG   3  28.019  17.388   6.880
   32    HE   ARG   3           HE       ARG   3  30.453  17.829   5.425
   33   HH11  ARG   3          HH11      ARG   3  27.543  18.716   4.834
   34   HH12  ARG   3          HH12      ARG   3  27.311  17.994   3.276
   35   HH21  ARG   3          HH21      ARG   3  30.066  15.906   3.541
   36   HH22  ARG   3          HH22      ARG   3  28.739  16.403   2.546
   37    H    ARG   4           HN       ARG   4  32.846  14.502   8.033
   38    HA   ARG   4           HA       ARG   4  31.539  13.253  10.379
   39    HB2  ARG   4           HB2      ARG   4  32.155  11.134   9.279
   40    HB3  ARG   4           HB1      ARG   4  31.324  12.228   8.147
   41    HG2  ARG   4           HG2      ARG   4  33.599  12.995   7.341
   42    HG3  ARG   4           HG1      ARG   4  34.321  11.713   8.344
   43    HD2  ARG   4           HD2      ARG   4  34.005  10.976   5.984
   44    HD3  ARG   4           HD1      ARG   4  33.042  10.002   7.119
   45    HE   ARG   4           HE       ARG   4  31.532  12.257   6.070
   46   HH11  ARG   4          HH11      ARG   4  30.377   9.552   6.599
   47   HH12  ARG   4          HH12      ARG   4  30.122   8.941   4.999
   48   HH21  ARG   4          HH21      ARG   4  32.205  11.268   3.492
   49   HH22  ARG   4          HH22      ARG   4  31.157   9.912   3.240
   50    H    ILE   5           HN       ILE   5  34.626  14.468   9.526
   51    HA   ILE   5           HA       ILE   5  36.723  14.239  10.500
   52    HB   ILE   5           HB       ILE   5  35.219  13.465  13.035
   53   HG12  ILE   5          HG12      ILE   5  35.642  16.228  11.803
   54   HG13  ILE   5          HG11      ILE   5  34.082  15.393  11.992
   55   HG21  ILE   5          HG21      ILE   5  37.678  15.227  12.674
   56   HG22  ILE   5          HG22      ILE   5  37.793  13.465  12.896
   57   HG23  ILE   5          HG23      ILE   5  37.072  14.476  14.170
   58   HD11  ILE   5           HD1      ILE   5  35.896  16.523  14.150
   59   HD12  ILE   5           HD2      ILE   5  34.668  15.290  14.529
   60   HD13  ILE   5           HD3      ILE   5  34.175  16.862  13.854
   61    H    GLY   6           HN       GLY   6  36.597  12.168   9.031
   62    HA2  GLY   6           HA1      GLY   6  37.903  10.075  10.557
   63    HA3  GLY   6           HA2      GLY   6  36.273   9.593  10.044
   64    H    LYS   7           HN       LYS   7  36.915  11.619   7.672
   65    HA   LYS   7           HA       LYS   7  38.912  10.097   6.152
   66    HB2  LYS   7           HB2      LYS   7  36.878   8.618   6.050
   67    HB3  LYS   7           HB1      LYS   7  36.013   9.949   5.245
   68    HG2  LYS   7           HG2      LYS   7  37.606   9.944   3.400
   69    HG3  LYS   7           HG1      LYS   7  38.619   8.737   4.229
   70    HD2  LYS   7           HD2      LYS   7  36.726   7.119   4.152
   71    HD3  LYS   7           HD1      LYS   7  35.756   8.320   3.265
   72    HE2  LYS   7           HE2      LYS   7  38.447   7.241   2.322
   73    HE3  LYS   7           HE1      LYS   7  36.869   6.645   1.757
   74    HZ1  LYS   7           HZ1      LYS   7  37.642   9.507   1.607
   75    HZ2  LYS   7           HZ2      LYS   7  36.363   8.721   0.811
   76    HZ3  LYS   7           HZ3      LYS   7  37.970   8.410   0.355
   77    H    GLY   8           HN       GLY   8  39.742  11.267   4.520
   78    HA2  GLY   8           HA1      GLY   8  38.607  13.040   2.786
   79    HA3  GLY   8           HA2      GLY   8  38.791  14.039   4.242
   80    H    VAL   9           HN       VAL   9  40.204  13.269   1.364
   81    HA   VAL   9           HA       VAL   9  42.988  13.126   2.296
   82    HB   VAL   9           HB       VAL   9  42.370  11.978   0.230
   83   HG11  VAL   9          HG11      VAL   9  41.393  12.958  -1.645
   84   HG12  VAL   9          HG12      VAL   9  41.986  14.585  -1.259
   85   HG13  VAL   9          HG13      VAL   9  40.615  13.898  -0.354
   86   HG21  VAL   9          HG21      VAL   9  44.159  14.373  -0.398
   87   HG22  VAL   9          HG22      VAL   9  44.199  12.770  -1.168
   88   HG23  VAL   9          HG23      VAL   9  44.672  12.949   0.537
   89    H    LYS  10           HN       LYS  10  41.341  15.501   0.124
   90    HA   LYS  10           HA       LYS  10  42.081  17.798   1.651
   91    HB2  LYS  10           HB2      LYS  10  44.407  17.211   1.086
   92    HB3  LYS  10           HB1      LYS  10  43.982  17.127  -0.638
   93    HG2  LYS  10           HG2      LYS  10  43.534  19.486  -0.737
   94    HG3  LYS  10           HG1      LYS  10  43.569  19.637   1.036
   95    HD2  LYS  10           HD2      LYS  10  45.962  19.098   1.069
   96    HD3  LYS  10           HD1      LYS  10  45.951  18.827  -0.689
   97    HE2  LYS  10           HE2      LYS  10  45.284  21.461   0.696
   98    HE3  LYS  10           HE1      LYS  10  46.816  21.086  -0.127
   99    HZ1  LYS  10           HZ1      LYS  10  44.259  21.809  -1.241
  100    HZ2  LYS  10           HZ2      LYS  10  44.945  20.441  -1.977
  101    HZ3  LYS  10           HZ3      LYS  10  45.807  21.903  -1.926
  102    H    ILE  11           HN       ILE  11  41.521  16.334  -1.533
  103    HA   ILE  11           HA       ILE  11  39.958  18.795  -2.336
  104    HB   ILE  11           HB       ILE  11  41.240  16.787  -4.230
  105   HG12  ILE  11          HG12      ILE  11  42.351  19.429  -3.170
  106   HG13  ILE  11          HG11      ILE  11  43.027  17.809  -2.880
  107   HG21  ILE  11          HG21      ILE  11  40.811  18.446  -5.909
  108   HG22  ILE  11          HG22      ILE  11  40.456  19.696  -4.692
  109   HG23  ILE  11          HG23      ILE  11  39.318  18.352  -4.950
  110   HD11  ILE  11           HD1      ILE  11  44.343  18.674  -4.657
  111   HD12  ILE  11           HD2      ILE  11  42.933  19.384  -5.476
  112   HD13  ILE  11           HD3      ILE  11  43.167  17.618  -5.475
  113    H    ILE  12           HN       ILE  12  40.250  15.248  -2.903
  114    HA   ILE  12           HA       ILE  12  37.518  15.087  -3.910
  115    HB   ILE  12           HB       ILE  12  39.370  12.921  -2.868
  116   HG12  ILE  12          HG12      ILE  12  40.510  14.123  -4.634
  117   HG13  ILE  12          HG11      ILE  12  39.956  12.576  -5.305
  118   HG21  ILE  12          HG21      ILE  12  37.327  11.802  -3.053
  119   HG22  ILE  12          HG22      ILE  12  37.901  11.613  -4.723
  120   HG23  ILE  12          HG23      ILE  12  36.715  12.879  -4.327
  121   HD11  ILE  12           HD1      ILE  12  37.837  13.947  -6.063
  122   HD12  ILE  12           HD2      ILE  12  39.348  14.124  -6.981
  123   HD13  ILE  12           HD3      ILE  12  38.875  15.368  -5.802
  124    H    GLY  13           HN       GLY  13  38.430  12.698  -1.503
  125    HA2  GLY  13           HA1      GLY  13  36.010  12.871  -0.056
  126    HA3  GLY  13           HA2      GLY  13  37.543  12.242   0.590
  127    H    GLY  14           HN       GLY  14  38.511  14.995  -0.441
  128    HA2  GLY  14           HA1      GLY  14  38.401  16.338   2.171
  129    HA3  GLY  14           HA2      GLY  14  39.254  16.890   0.711
  130    H    ALA  15           HN       ALA  15  37.261  16.972  -1.207
  131    HA   ALA  15           HA       ALA  15  35.641  19.271  -0.158
  132    HB1  ALA  15           HB1      ALA  15  35.723  18.127  -2.974
  133    HB2  ALA  15           HB2      ALA  15  36.828  19.397  -2.386
  134    HB3  ALA  15           HB3      ALA  15  35.078  19.701  -2.458
  135    H    ALA  16           HN       ALA  16  35.272  16.570   0.783
  136    HA   ALA  16           HA       ALA  16  33.470  15.265   1.390
  137    HB1  ALA  16           HB1      ALA  16  32.216  17.549   1.087
  138    HB2  ALA  16           HB2      ALA  16  31.271  16.042   1.146
  139    HB3  ALA  16           HB3      ALA  16  31.605  16.822  -0.417
  140    H    LEU  17           HN       LEU  17  35.246  14.526  -0.671
  141    HA   LEU  17           HA       LEU  17  35.360  12.905  -2.333
  142    HB2  LEU  17           HB2      LEU  17  33.512  11.884  -0.749
  143    HB3  LEU  17           HB1      LEU  17  32.399  12.329  -2.060
  144    HG   LEU  17           HG       LEU  17  34.210  11.083  -3.599
  145   HD11  LEU  17          HD11      LEU  17  34.552   9.619  -0.944
  146   HD12  LEU  17          HD12      LEU  17  35.769  10.727  -1.615
  147   HD13  LEU  17          HD13      LEU  17  35.339   9.244  -2.493
  148   HD21  LEU  17          HD21      LEU  17  32.948   8.959  -3.282
  149   HD22  LEU  17          HD22      LEU  17  31.863  10.368  -3.337
  150   HD23  LEU  17          HD23      LEU  17  32.255   9.608  -1.777
  151    H    ASP  18           HN       ASP  18  35.279  15.372  -3.268
  152    HA   ASP  18           HA       ASP  18  34.854  16.592  -5.180
  153    HB2  ASP  18           HB2      ASP  18  35.263  14.308  -6.246
  154    HB3  ASP  18           HB1      ASP  18  33.496  14.122  -6.319
  155    H    HIS  19           HN       HIS  19  31.996  14.426  -5.328
  156    HA   HIS  19           HA       HIS  19  30.238  16.618  -4.386
  157    HB2  HIS  19           HB2      HIS  19  30.586  17.040  -6.847
  158    HB3  HIS  19           HB1      HIS  19  29.879  15.438  -7.170
  159    HD1  HIS  19           HD1      HIS  19  28.492  17.376  -4.282
  160    HD2  HIS  19           HD2      HIS  19  27.624  16.865  -8.365
  161    HE1  HIS  19           HE1      HIS  19  26.123  18.250  -4.673
  162    H    LEU  20           HN       LEU  20  30.872  14.138  -3.243
  163    HA   LEU  20           HA       LEU  20  29.856  12.229  -2.411
  164    HB2  LEU  20           HB2      LEU  20  28.181  14.081  -1.807
  165    HB3  LEU  20           HB1      LEU  20  27.230  13.535  -3.205
  166    HG   LEU  20           HG       LEU  20  27.498  11.126  -2.084
  167   HD11  LEU  20          HD11      LEU  20  29.035  11.791  -0.281
  168   HD12  LEU  20          HD12      LEU  20  27.478  11.297   0.418
  169   HD13  LEU  20          HD13      LEU  20  27.882  13.023   0.282
  170   HD21  LEU  20          HD21      LEU  20  25.651  13.317  -1.038
  171   HD22  LEU  20          HD22      LEU  20  25.420  11.581  -0.727
  172   HD23  LEU  20          HD23      LEU  20  25.335  12.206  -2.390
  Start of MODEL   40
    1    H1   TRP   1           HT1      TRP   1  46.610  10.730  15.660
    2    H2   TRP   1           HT2      TRP   1  45.654  11.680  14.626
    3    H3   TRP   1           HT3      TRP   1  47.304  12.033  14.826
    4    HA   TRP   1           HA       TRP   1  46.994  10.977  12.747
    5    HB2  TRP   1           HB2      TRP   1  48.434   8.940  13.145
    6    HB3  TRP   1           HB1      TRP   1  49.066  10.440  13.866
    7    HD1  TRP   1           HD1      TRP   1  47.880   6.988  14.731
    8    HE1  TRP   1           HE1      TRP   1  47.991   6.595  17.300
    9    HE3  TRP   1           HE3      TRP   1  48.766  11.798  16.245
   10    HZ2  TRP   1           HZ2      TRP   1  48.408   8.181  19.667
   11    HZ3  TRP   1           HZ3      TRP   1  49.016  12.335  18.664
   12    HH2  TRP   1           HH2      TRP   1  48.839  10.533  20.374
   13    H    LEU   2           HN       LEU   2  45.122  10.319  11.852
   14    HA   LEU   2           HA       LEU   2  43.423   8.330  13.126
   15    HB2  LEU   2           HB2      LEU   2  43.290   9.165  10.214
   16    HB3  LEU   2           HB1      LEU   2  41.966   8.639  11.282
   17    HG   LEU   2           HG       LEU   2  43.562  11.230  11.504
   18   HD11  LEU   2          HD11      LEU   2  41.882  11.197   9.689
   19   HD12  LEU   2          HD12      LEU   2  41.364  12.272  11.010
   20   HD13  LEU   2          HD13      LEU   2  40.638  10.655  10.842
   21   HD21  LEU   2          HD21      LEU   2  43.051  10.570  13.750
   22   HD22  LEU   2          HD22      LEU   2  41.445   9.954  13.287
   23   HD23  LEU   2          HD23      LEU   2  41.759  11.707  13.299
   24    H    ARG   3           HN       ARG   3  44.845   8.246   9.852
   25    HA   ARG   3           HA       ARG   3  46.010   5.574  10.341
   26    HB2  ARG   3           HB2      ARG   3  43.566   5.167   9.776
   27    HB3  ARG   3           HB1      ARG   3  43.873   5.929   8.198
   28    HG2  ARG   3           HG2      ARG   3  45.521   4.240   7.626
   29    HG3  ARG   3           HG1      ARG   3  45.450   3.546   9.264
   30    HD2  ARG   3           HD2      ARG   3  44.110   2.196   7.693
   31    HD3  ARG   3           HD1      ARG   3  43.064   2.965   8.914
   32    HE   ARG   3           HE       ARG   3  43.422   4.142   6.161
   33   HH11  ARG   3          HH11      ARG   3  41.773   5.834   7.780
   34   HH12  ARG   3          HH12      ARG   3  40.168   5.219   7.563
   35   HH21  ARG   3          HH21      ARG   3  41.224   2.156   6.325
   36   HH22  ARG   3          HH22      ARG   3  39.857   3.137   6.741
   37    H    ARG   4           HN       ARG   4  45.656   8.556   8.784
   38    HA   ARG   4           HA       ARG   4  48.109   8.065   7.175
   39    HB2  ARG   4           HB2      ARG   4  45.537   9.164   5.958
   40    HB3  ARG   4           HB1      ARG   4  47.113   9.025   5.142
   41    HG2  ARG   4           HG2      ARG   4  47.018   6.519   5.646
   42    HG3  ARG   4           HG1      ARG   4  45.326   6.770   6.138
   43    HD2  ARG   4           HD2      ARG   4  44.799   7.695   3.911
   44    HD3  ARG   4           HD1      ARG   4  46.493   7.479   3.411
   45    HE   ARG   4           HE       ARG   4  45.861   5.272   2.898
   46   HH11  ARG   4          HH11      ARG   4  45.771   3.435   4.633
   47   HH12  ARG   4          HH12      ARG   4  44.194   3.274   5.331
   48   HH21  ARG   4          HH21      ARG   4  43.097   6.372   4.223
   49   HH22  ARG   4          HH22      ARG   4  42.680   4.937   5.100
   50    H    ILE   5           HN       ILE   5  46.417   9.785   9.394
   51    HA   ILE   5           HA       ILE   5  46.628  11.921  10.256
   52    HB   ILE   5           HB       ILE   5  49.183  12.241   8.626
   53   HG12  ILE   5          HG12      ILE   5  48.736  10.618  11.175
   54   HG13  ILE   5          HG11      ILE   5  49.245   9.986   9.593
   55   HG21  ILE   5          HG21      ILE   5  48.591  13.046  11.504
   56   HG22  ILE   5          HG22      ILE   5  48.181  14.099  10.130
   57   HG23  ILE   5          HG23      ILE   5  49.875  13.648  10.428
   58   HD11  ILE   5           HD1      ILE   5  50.801  11.757  11.508
   59   HD12  ILE   5           HD2      ILE   5  51.251  11.624   9.789
   60   HD13  ILE   5           HD3      ILE   5  51.266  10.180  10.830
   61    H    GLY   6           HN       GLY   6  44.877  11.825   8.217
   62    HA2  GLY   6           HA1      GLY   6  43.874  13.067   6.538
   63    HA3  GLY   6           HA2      GLY   6  44.535  14.456   7.420
   64    H    LYS   7           HN       LYS   7  46.555  11.997   5.882
   65    HA   LYS   7           HA       LYS   7  47.832  14.099   4.256
   66    HB2  LYS   7           HB2      LYS   7  48.301  11.110   4.572
   67    HB3  LYS   7           HB1      LYS   7  49.250  12.131   3.469
   68    HG2  LYS   7           HG2      LYS   7  48.956  12.964   6.377
   69    HG3  LYS   7           HG1      LYS   7  50.112  11.685   5.951
   70    HD2  LYS   7           HD2      LYS   7  51.169  13.232   4.287
   71    HD3  LYS   7           HD1      LYS   7  50.063  14.520   4.819
   72    HE2  LYS   7           HE2      LYS   7  50.938  14.155   7.181
   73    HE3  LYS   7           HE1      LYS   7  52.183  13.096   6.476
   74    HZ1  LYS   7           HZ1      LYS   7  51.726  15.969   5.841
   75    HZ2  LYS   7           HZ2      LYS   7  52.842  14.971   5.041
   76    HZ3  LYS   7           HZ3      LYS   7  53.040  15.317   6.693
   77    H    GLY   8           HN       GLY   8  45.133  13.848   3.561
   78    HA2  GLY   8           HA1      GLY   8  45.365  13.479   0.732
   79    HA3  GLY   8           HA2      GLY   8  44.597  12.046   1.442
   80    H    VAL   9           HN       VAL   9  42.755  12.591   0.153
   81    HA   VAL   9           HA       VAL   9  40.797  13.771  -0.345
   82    HB   VAL   9           HB       VAL   9  39.260  13.893   1.642
   83   HG11  VAL   9          HG11      VAL   9  39.396  11.413   2.124
   84   HG12  VAL   9          HG12      VAL   9  40.931  11.380   1.222
   85   HG13  VAL   9          HG13      VAL   9  39.420  11.822   0.393
   86   HG21  VAL   9          HG21      VAL   9  41.644  12.776   3.182
   87   HG22  VAL   9          HG22      VAL   9  40.030  13.167   3.818
   88   HG23  VAL   9          HG23      VAL   9  41.113  14.473   3.289
   89    H    LYS  10           HN       LYS  10  42.721  15.647  -0.511
   90    HA   LYS  10           HA       LYS  10  41.920  17.959   1.199
   91    HB2  LYS  10           HB2      LYS  10  43.994  17.802  -1.025
   92    HB3  LYS  10           HB1      LYS  10  43.801  19.101   0.175
   93    HG2  LYS  10           HG2      LYS  10  44.361  17.564   1.994
   94    HG3  LYS  10           HG1      LYS  10  44.435  16.199   0.853
   95    HD2  LYS  10           HD2      LYS  10  46.306  17.248  -0.336
   96    HD3  LYS  10           HD1      LYS  10  46.211  18.672   0.728
   97    HE2  LYS  10           HE2      LYS  10  47.981  17.263   1.581
   98    HE3  LYS  10           HE1      LYS  10  46.601  17.110   2.694
   99    HZ1  LYS  10           HZ1      LYS  10  46.080  15.179   0.907
  100    HZ2  LYS  10           HZ2      LYS  10  46.917  14.929   2.364
  101    HZ3  LYS  10           HZ3      LYS  10  47.776  15.144   0.914
  102    H    ILE  11           HN       ILE  11  41.225  16.523  -1.845
  103    HA   ILE  11           HA       ILE  11  39.799  19.037  -2.722
  104    HB   ILE  11           HB       ILE  11  41.040  16.997  -4.611
  105   HG12  ILE  11          HG12      ILE  11  42.185  19.630  -3.570
  106   HG13  ILE  11          HG11      ILE  11  42.859  18.004  -3.309
  107   HG21  ILE  11          HG21      ILE  11  40.610  18.648  -6.301
  108   HG22  ILE  11          HG22      ILE  11  40.269  19.907  -5.091
  109   HG23  ILE  11          HG23      ILE  11  39.126  18.566  -5.328
  110   HD11  ILE  11           HD1      ILE  11  44.147  18.877  -5.102
  111   HD12  ILE  11           HD2      ILE  11  42.728  19.609  -5.884
  112   HD13  ILE  11           HD3      ILE  11  42.947  17.843  -5.910
  113    H    ILE  12           HN       ILE  12  40.043  15.475  -3.024
  114    HA   ILE  12           HA       ILE  12  37.357  15.233  -4.131
  115    HB   ILE  12           HB       ILE  12  39.166  13.186  -2.810
  116   HG12  ILE  12          HG12      ILE  12  38.788  13.798  -5.782
  117   HG13  ILE  12          HG11      ILE  12  40.142  14.406  -4.805
  118   HG21  ILE  12          HG21      ILE  12  36.700  12.925  -4.594
  119   HG22  ILE  12          HG22      ILE  12  36.898  12.320  -2.934
  120   HG23  ILE  12          HG23      ILE  12  37.803  11.571  -4.261
  121   HD11  ILE  12           HD1      ILE  12  40.434  11.795  -4.208
  122   HD12  ILE  12           HD2      ILE  12  41.123  12.481  -5.696
  123   HD13  ILE  12           HD3      ILE  12  39.588  11.592  -5.762
  124    H    GLY  13           HN       GLY  13  38.294  13.221  -1.376
  125    HA2  GLY  13           HA1      GLY  13  35.785  13.549  -0.047
  126    HA3  GLY  13           HA2      GLY  13  37.286  12.943   0.692
  127    H    GLY  14           HN       GLY  14  38.258  15.572  -0.707
  128    HA2  GLY  14           HA1      GLY  14  38.228  17.205   1.750
  129    HA3  GLY  14           HA2      GLY  14  39.086  17.557   0.233
  130    H    ALA  15           HN       ALA  15  37.029  17.397  -1.653
  131    HA   ALA  15           HA       ALA  15  35.538  19.897  -0.945
  132    HB1  ALA  15           HB1      ALA  15  34.814  19.870  -3.276
  133    HB2  ALA  15           HB2      ALA  15  35.521  18.255  -3.510
  134    HB3  ALA  15           HB3      ALA  15  36.577  19.657  -3.199
  135    H    ALA  16           HN       ALA  16  35.129  17.372   0.441
  136    HA   ALA  16           HA       ALA  16  33.314  16.281   1.351
  137    HB1  ALA  16           HB1      ALA  16  32.120  18.535   0.717
  138    HB2  ALA  16           HB2      ALA  16  31.135  17.099   1.087
  139    HB3  ALA  16           HB3      ALA  16  31.403  17.583  -0.604
  140    H    LEU  17           HN       LEU  17  34.969  15.236  -0.756
  141    HA   LEU  17           HA       LEU  17  34.944  13.447  -2.245
  142    HB2  LEU  17           HB2      LEU  17  33.418  12.670  -0.148
  143    HB3  LEU  17           HB1      LEU  17  32.174  12.589  -1.410
  144    HG   LEU  17           HG       LEU  17  34.898  11.202  -1.546
  145   HD11  LEU  17          HD11      LEU  17  32.126  10.029  -1.057
  146   HD12  LEU  17          HD12      LEU  17  33.342  10.305   0.214
  147   HD13  LEU  17          HD13      LEU  17  33.670   9.144  -1.095
  148   HD21  LEU  17          HD21      LEU  17  33.794   9.975  -3.446
  149   HD22  LEU  17          HD22      LEU  17  34.005  11.710  -3.770
  150   HD23  LEU  17          HD23      LEU  17  32.406  11.079  -3.308
  151    H    ASP  18           HN       ASP  18  34.271  15.834  -3.375
  152    HA   ASP  18           HA       ASP  18  33.218  16.764  -5.221
  153    HB2  ASP  18           HB2      ASP  18  32.860  13.822  -5.920
  154    HB3  ASP  18           HB1      ASP  18  32.614  15.177  -7.047
  155    H    HIS  19           HN       HIS  19  31.167  13.862  -5.235
  156    HA   HIS  19           HA       HIS  19  28.925  15.261  -3.941
  157    HB2  HIS  19           HB2      HIS  19  28.875  14.639  -6.922
  158    HB3  HIS  19           HB1      HIS  19  27.437  15.036  -5.950
  159    HD1  HIS  19           HD1      HIS  19  27.773  17.414  -4.481
  160    HD2  HIS  19           HD2      HIS  19  29.951  16.913  -8.041
  161    HE1  HIS  19           HE1      HIS  19  28.568  19.726  -5.219
  162    H    LEU  20           HN       LEU  20  30.130  13.048  -3.032
  163    HA   LEU  20           HA       LEU  20  29.778  10.820  -2.488
  164    HB2  LEU  20           HB2      LEU  20  26.981  11.753  -3.203
  165    HB3  LEU  20           HB1      LEU  20  27.281  10.100  -2.640
  166    HG   LEU  20           HG       LEU  20  26.596  11.811  -0.855
  167   HD11  LEU  20          HD11      LEU  20  27.914  10.801   0.829
  168   HD12  LEU  20          HD12      LEU  20  29.324  10.615  -0.233
  169   HD13  LEU  20          HD13      LEU  20  27.892   9.588  -0.468
  170   HD21  LEU  20          HD21      LEU  20  29.479  12.765  -1.141
  171   HD22  LEU  20          HD22      LEU  20  28.223  13.397  -0.053
  172   HD23  LEU  20          HD23      LEU  20  28.081  13.639  -1.810
  Start of MODEL   41
    1    H1   TRP   1           HT1      TRP   1  51.553  13.062   0.916
    2    H2   TRP   1           HT2      TRP   1  53.144  12.492   1.089
    3    H3   TRP   1           HT3      TRP   1  52.545  13.683   2.142
    4    HA   TRP   1           HA       TRP   1  51.264  11.055   1.939
    5    HB2  TRP   1           HB2      TRP   1  53.541  11.798   3.816
    6    HB3  TRP   1           HB1      TRP   1  52.666  10.250   3.758
    7    HD1  TRP   1           HD1      TRP   1  52.646   9.353   0.928
    8    HE1  TRP   1           HE1      TRP   1  54.777   8.932  -0.501
    9    HE3  TRP   1           HE3      TRP   1  55.962  12.235   3.556
   10    HZ2  TRP   1           HZ2      TRP   1  57.538   9.753  -0.477
   11    HZ3  TRP   1           HZ3      TRP   1  58.338  12.401   2.835
   12    HH2  TRP   1           HH2      TRP   1  59.129  11.164   0.823
   13    H    LEU   2           HN       LEU   2  49.447  11.092   3.083
   14    HA   LEU   2           HA       LEU   2  48.772  13.424   4.691
   15    HB2  LEU   2           HB2      LEU   2  47.422  10.773   4.105
   16    HB3  LEU   2           HB1      LEU   2  46.727  11.922   5.264
   17    HG   LEU   2           HG       LEU   2  45.846  12.067   2.867
   18   HD11  LEU   2          HD11      LEU   2  45.842  13.973   4.654
   19   HD12  LEU   2          HD12      LEU   2  45.540  14.406   2.960
   20   HD13  LEU   2          HD13      LEU   2  47.136  14.700   3.677
   21   HD21  LEU   2          HD21      LEU   2  48.150  11.742   1.839
   22   HD22  LEU   2          HD22      LEU   2  48.518  13.420   2.301
   23   HD23  LEU   2          HD23      LEU   2  47.201  13.082   1.156
   24    H    ARG   3           HN       ARG   3  48.218  10.118   5.771
   25    HA   ARG   3           HA       ARG   3  50.133  10.325   7.995
   26    HB2  ARG   3           HB2      ARG   3  48.117  11.664   8.761
   27    HB3  ARG   3           HB1      ARG   3  47.158  10.170   8.627
   28    HG2  ARG   3           HG2      ARG   3  48.586   9.046  10.258
   29    HG3  ARG   3           HG1      ARG   3  49.679  10.450  10.320
   30    HD2  ARG   3           HD2      ARG   3  48.066  10.387  12.240
   31    HD3  ARG   3           HD1      ARG   3  47.899  11.852  11.243
   32    HE   ARG   3           HE       ARG   3  46.087   9.986  10.173
   33   HH11  ARG   3          HH11      ARG   3  46.513  12.195  12.731
   34   HH12  ARG   3          HH12      ARG   3  44.953  11.920  13.431
   35   HH21  ARG   3          HH21      ARG   3  44.142   9.338  11.262
   36   HH22  ARG   3          HH22      ARG   3  43.611  10.302  12.600
   37    H    ARG   4           HN       ARG   4  47.925   8.781   5.913
   38    HA   ARG   4           HA       ARG   4  48.983   6.119   6.680
   39    HB2  ARG   4           HB2      ARG   4  45.996   6.738   6.626
   40    HB3  ARG   4           HB1      ARG   4  46.722   5.121   6.786
   41    HG2  ARG   4           HG2      ARG   4  47.953   6.022   8.850
   42    HG3  ARG   4           HG1      ARG   4  46.891   7.445   8.745
   43    HD2  ARG   4           HD2      ARG   4  44.910   5.850   8.773
   44    HD3  ARG   4           HD1      ARG   4  46.061   4.543   9.147
   45    HE   ARG   4           HE       ARG   4  46.577   6.540  11.043
   46   HH11  ARG   4          HH11      ARG   4  45.825   4.053  12.186
   47   HH12  ARG   4          HH12      ARG   4  44.213   4.292  12.771
   48   HH21  ARG   4          HH21      ARG   4  43.651   7.123  10.850
   49   HH22  ARG   4          HH22      ARG   4  42.981   6.029  12.013
   50    H    ILE   5           HN       ILE   5  48.273   8.452   4.473
   51    HA   ILE   5           HA       ILE   5  48.012   8.459   2.169
   52    HB   ILE   5           HB       ILE   5  49.132   5.626   2.212
   53   HG12  ILE   5          HG12      ILE   5  50.604   8.292   2.456
   54   HG13  ILE   5          HG11      ILE   5  50.489   7.040   3.716
   55   HG21  ILE   5          HG21      ILE   5  49.639   7.908   0.259
   56   HG22  ILE   5          HG22      ILE   5  48.300   6.755   0.050
   57   HG23  ILE   5          HG23      ILE   5  49.980   6.175   0.039
   58   HD11  ILE   5           HD1      ILE   5  51.968   6.929   1.067
   59   HD12  ILE   5           HD2      ILE   5  51.534   5.442   1.944
   60   HD13  ILE   5           HD3      ILE   5  52.599   6.647   2.705
   61    H    GLY   6           HN       GLY   6  45.642   8.340   2.765
   62    HA2  GLY   6           HA1      GLY   6  44.230   6.804   0.928
   63    HA3  GLY   6           HA2      GLY   6  44.281   5.800   2.392
   64    H    LYS   7           HN       LYS   7  43.950   7.399   4.462
   65    HA   LYS   7           HA       LYS   7  41.167   8.079   4.344
   66    HB2  LYS   7           HB2      LYS   7  42.440   7.430   6.411
   67    HB3  LYS   7           HB1      LYS   7  43.232   9.023   6.370
   68    HG2  LYS   7           HG2      LYS   7  41.113  10.165   6.635
   69    HG3  LYS   7           HG1      LYS   7  40.209   8.646   6.431
   70    HD2  LYS   7           HD2      LYS   7  41.222   7.748   8.497
   71    HD3  LYS   7           HD1      LYS   7  42.157   9.250   8.699
   72    HE2  LYS   7           HE2      LYS   7  40.131   9.303  10.108
   73    HE3  LYS   7           HE1      LYS   7  40.033  10.540   8.832
   74    HZ1  LYS   7           HZ1      LYS   7  37.965   9.328   8.997
   75    HZ2  LYS   7           HZ2      LYS   7  38.765   7.846   8.769
   76    HZ3  LYS   7           HZ3      LYS   7  38.706   8.986   7.511
   77    H    GLY   8           HN       GLY   8  40.097   9.918   3.910
   78    HA2  GLY   8           HA1      GLY   8  39.754  12.068   3.134
   79    HA3  GLY   8           HA2      GLY   8  41.100  12.541   4.190
   80    H    VAL   9           HN       VAL   9  40.792  13.995   1.978
   81    HA   VAL   9           HA       VAL   9  43.209  13.251   0.403
   82    HB   VAL   9           HB       VAL   9  40.566  13.940  -0.960
   83   HG11  VAL   9          HG11      VAL   9  41.912  13.275  -3.008
   84   HG12  VAL   9          HG12      VAL   9  43.354  13.232  -1.969
   85   HG13  VAL   9          HG13      VAL   9  42.476  14.760  -2.211
   86   HG21  VAL   9          HG21      VAL   9  40.406  11.675  -0.111
   87   HG22  VAL   9          HG22      VAL   9  42.067  11.305  -0.637
   88   HG23  VAL   9          HG23      VAL   9  40.786  11.561  -1.845
   89    H    LYS  10           HN       LYS  10  40.875  15.490   1.646
   90    HA   LYS  10           HA       LYS  10  41.037  17.762   2.034
   91    HB2  LYS  10           HB2      LYS  10  43.562  17.158   2.294
   92    HB3  LYS  10           HB1      LYS  10  43.748  17.860   0.671
   93    HG2  LYS  10           HG2      LYS  10  42.463  19.917   1.628
   94    HG3  LYS  10           HG1      LYS  10  42.817  19.219   3.226
   95    HD2  LYS  10           HD2      LYS  10  45.229  19.240   2.721
   96    HD3  LYS  10           HD1      LYS  10  44.895  19.884   1.095
   97    HE2  LYS  10           HE2      LYS  10  44.043  21.286   3.662
   98    HE3  LYS  10           HE1      LYS  10  45.566  21.637   2.810
   99    HZ1  LYS  10           HZ1      LYS  10  43.162  22.792   2.292
  100    HZ2  LYS  10           HZ2      LYS  10  43.263  21.605   1.080
  101    HZ3  LYS  10           HZ3      LYS  10  44.489  22.770   1.236
  102    H    ILE  11           HN       ILE  11  41.527  16.365  -1.084
  103    HA   ILE  11           HA       ILE  11  40.671  18.937  -2.418
  104    HB   ILE  11           HB       ILE  11  42.012  16.563  -3.757
  105   HG12  ILE  11          HG12      ILE  11  43.287  19.052  -2.527
  106   HG13  ILE  11          HG11      ILE  11  43.530  17.369  -2.002
  107   HG21  ILE  11          HG21      ILE  11  40.717  18.365  -5.073
  108   HG22  ILE  11          HG22      ILE  11  42.405  18.092  -5.561
  109   HG23  ILE  11          HG23      ILE  11  41.985  19.503  -4.559
  110   HD11  ILE  11           HD1      ILE  11  44.459  18.703  -4.567
  111   HD12  ILE  11           HD2      ILE  11  44.335  16.931  -4.439
  112   HD13  ILE  11           HD3      ILE  11  45.424  17.829  -3.357
  113    H    ILE  12           HN       ILE  12  40.371  15.358  -2.519
  114    HA   ILE  12           HA       ILE  12  37.913  15.626  -4.192
  115    HB   ILE  12           HB       ILE  12  39.411  13.158  -3.233
  116   HG12  ILE  12          HG12      ILE  12  39.539  14.591  -5.932
  117   HG13  ILE  12          HG11      ILE  12  40.787  14.690  -4.671
  118   HG21  ILE  12          HG21      ILE  12  37.072  12.690  -3.894
  119   HG22  ILE  12          HG22      ILE  12  38.175  12.046  -5.121
  120   HG23  ILE  12          HG23      ILE  12  37.308  13.570  -5.418
  121   HD11  ILE  12           HD1      ILE  12  40.718  12.017  -4.843
  122   HD12  ILE  12           HD2      ILE  12  41.665  12.978  -6.004
  123   HD13  ILE  12           HD3      ILE  12  40.062  12.363  -6.462
  124    H    GLY  13           HN       GLY  13  38.276  12.888  -2.019
  125    HA2  GLY  13           HA1      GLY  13  35.689  13.189  -0.882
  126    HA3  GLY  13           HA2      GLY  13  37.021  12.240  -0.179
  127    H    GLY  14           HN       GLY  14  38.418  14.982  -0.660
  128    HA2  GLY  14           HA1      GLY  14  38.111  15.944   2.114
  129    HA3  GLY  14           HA2      GLY  14  39.273  16.510   0.895
  130    H    ALA  15           HN       ALA  15  37.711  17.166  -1.275
  131    HA   ALA  15           HA       ALA  15  36.392  19.617  -0.210
  132    HB1  ALA  15           HB1      ALA  15  36.109  20.232  -2.531
  133    HB2  ALA  15           HB2      ALA  15  36.517  18.585  -3.066
  134    HB3  ALA  15           HB3      ALA  15  37.763  19.614  -2.316
  135    H    ALA  16           HN       ALA  16  35.417  16.892   0.422
  136    HA   ALA  16           HA       ALA  16  33.325  16.016   0.846
  137    HB1  ALA  16           HB1      ALA  16  32.590  18.531   0.528
  138    HB2  ALA  16           HB2      ALA  16  31.367  17.238   0.488
  139    HB3  ALA  16           HB3      ALA  16  31.957  17.952  -1.031
  140    H    LEU  17           HN       LEU  17  35.160  15.145  -1.204
  141    HA   LEU  17           HA       LEU  17  35.166  13.808  -3.106
  142    HB2  LEU  17           HB2      LEU  17  33.399  12.733  -1.311
  143    HB3  LEU  17           HB1      LEU  17  32.323  12.919  -2.709
  144    HG   LEU  17           HG       LEU  17  35.021  11.481  -2.742
  145   HD11  LEU  17          HD11      LEU  17  32.189  10.358  -2.882
  146   HD12  LEU  17          HD12      LEU  17  33.215  10.328  -1.428
  147   HD13  LEU  17          HD13      LEU  17  33.706   9.427  -2.883
  148   HD21  LEU  17          HD21      LEU  17  34.214  10.695  -4.983
  149   HD22  LEU  17          HD22      LEU  17  34.458  12.457  -4.924
  150   HD23  LEU  17          HD23      LEU  17  32.813  11.781  -4.829
  151    H    ASP  18           HN       ASP  18  34.296  16.565  -3.429
  152    HA   ASP  18           HA       ASP  18  33.306  17.930  -5.025
  153    HB2  ASP  18           HB2      ASP  18  33.691  15.426  -6.711
  154    HB3  ASP  18           HB1      ASP  18  33.361  17.056  -7.349
  155    H    HIS  19           HN       HIS  19  31.633  15.639  -3.553
  156    HA   HIS  19           HA       HIS  19  29.091  16.585  -4.571
  157    HB2  HIS  19           HB2      HIS  19  29.601  15.014  -6.393
  158    HB3  HIS  19           HB1      HIS  19  29.874  13.712  -5.210
  159    HD1  HIS  19           HD1      HIS  19  27.868  12.391  -6.364
  160    HD2  HIS  19           HD2      HIS  19  26.792  16.029  -4.547
  161    HE1  HIS  19           HE1      HIS  19  25.326  12.389  -6.097
  162    H    LEU  20           HN       LEU  20  30.858  14.008  -2.843
  163    HA   LEU  20           HA       LEU  20  29.324  14.528  -0.419
  164    HB2  LEU  20           HB2      LEU  20  28.353  12.237  -0.229
  165    HB3  LEU  20           HB1      LEU  20  27.637  13.201  -1.536
  166    HG   LEU  20           HG       LEU  20  29.656  11.962  -2.949
  167   HD11  LEU  20          HD11      LEU  20  29.663   9.549  -2.267
  168   HD12  LEU  20          HD12      LEU  20  28.814   9.994  -0.770
  169   HD13  LEU  20          HD13      LEU  20  30.458  10.598  -1.075
  170   HD21  LEU  20          HD21      LEU  20  26.906  10.798  -2.317
  171   HD22  LEU  20          HD22      LEU  20  27.929  10.320  -3.693
  172   HD23  LEU  20          HD23      LEU  20  27.285  11.976  -3.596
  Start of MODEL   42
    1    H1   TRP   1           HT1      TRP   1  27.745  17.558  13.020
    2    H2   TRP   1           HT2      TRP   1  27.722  16.270  14.127
    3    H3   TRP   1           HT3      TRP   1  26.769  16.205  12.723
    4    HA   TRP   1           HA       TRP   1  29.385  15.336  13.115
    5    HB2  TRP   1           HB2      TRP   1  27.554  15.446  10.686
    6    HB3  TRP   1           HB1      TRP   1  29.051  14.487  10.793
    7    HD1  TRP   1           HD1      TRP   1  25.432  14.509  11.824
    8    HE1  TRP   1           HE1      TRP   1  24.841  12.333  13.117
    9    HE3  TRP   1           HE3      TRP   1  30.158  12.660  12.495
   10    HZ2  TRP   1           HZ2      TRP   1  26.255  10.107  14.275
   11    HZ3  TRP   1           HZ3      TRP   1  30.514  10.509  13.697
   12    HH2  TRP   1           HH2      TRP   1  28.569   9.231  14.587
   13    H    LEU   2           HN       LEU   2  31.212  15.647  11.705
   14    HA   LEU   2           HA       LEU   2  31.750  18.473  11.269
   15    HB2  LEU   2           HB2      LEU   2  33.422  16.172  10.207
   16    HB3  LEU   2           HB1      LEU   2  33.954  17.791  10.721
   17    HG   LEU   2           HG       LEU   2  32.848  15.586  12.518
   18   HD11  LEU   2          HD11      LEU   2  35.212  15.330  11.688
   19   HD12  LEU   2          HD12      LEU   2  35.100  15.542  13.453
   20   HD13  LEU   2          HD13      LEU   2  35.596  16.906  12.421
   21   HD21  LEU   2          HD21      LEU   2  32.089  17.658  13.453
   22   HD22  LEU   2          HD22      LEU   2  33.610  18.490  13.047
   23   HD23  LEU   2          HD23      LEU   2  33.579  17.268  14.342
   24    H    ARG   3           HN       ARG   3  30.220  16.045   9.456
   25    HA   ARG   3           HA       ARG   3  29.337  16.052   7.328
   26    HB2  ARG   3           HB2      ARG   3  30.439  18.846   6.882
   27    HB3  ARG   3           HB1      ARG   3  29.041  18.066   6.109
   28    HG2  ARG   3           HG2      ARG   3  28.041  17.904   8.510
   29    HG3  ARG   3           HG1      ARG   3  29.292  19.084   8.965
   30    HD2  ARG   3           HD2      ARG   3  28.453  20.545   7.048
   31    HD3  ARG   3           HD1      ARG   3  27.073  19.428   6.911
   32    HE   ARG   3           HE       ARG   3  27.271  21.505   8.839
   33   HH11  ARG   3          HH11      ARG   3  27.717  19.867  11.023
   34   HH12  ARG   3          HH12      ARG   3  26.219  19.068  11.360
   35   HH21  ARG   3          HH21      ARG   3  24.861  19.721   8.237
   36   HH22  ARG   3          HH22      ARG   3  24.602  18.983   9.783
   37    H    ARG   4           HN       ARG   4  32.674  17.135   7.754
   38    HA   ARG   4           HA       ARG   4  33.412  16.404   4.989
   39    HB2  ARG   4           HB2      ARG   4  35.096  17.176   7.408
   40    HB3  ARG   4           HB1      ARG   4  35.708  16.956   5.750
   41    HG2  ARG   4           HG2      ARG   4  34.309  18.776   4.933
   42    HG3  ARG   4           HG1      ARG   4  33.521  18.935   6.521
   43    HD2  ARG   4           HD2      ARG   4  35.593  19.654   7.555
   44    HD3  ARG   4           HD1      ARG   4  36.514  19.294   6.074
   45    HE   ARG   4           HE       ARG   4  35.851  21.405   5.273
   46   HH11  ARG   4          HH11      ARG   4  34.436  23.166   5.093
   47   HH12  ARG   4          HH12      ARG   4  33.131  23.325   6.222
   48   HH21  ARG   4          HH21      ARG   4  33.828  20.342   7.848
   49   HH22  ARG   4          HH22      ARG   4  32.786  21.725   7.781
   50    H    ILE   5           HN       ILE   5  33.284  14.981   8.179
   51    HA   ILE   5           HA       ILE   5  33.779  12.847   8.920
   52    HB   ILE   5           HB       ILE   5  33.960  12.003   5.999
   53   HG12  ILE   5          HG12      ILE   5  31.492  12.411   7.751
   54   HG13  ILE   5          HG11      ILE   5  31.921  13.356   6.305
   55   HG21  ILE   5          HG21      ILE   5  33.310   9.847   6.820
   56   HG22  ILE   5          HG22      ILE   5  32.855  10.505   8.410
   57   HG23  ILE   5          HG23      ILE   5  34.568  10.418   7.938
   58   HD11  ILE   5           HD1      ILE   5  31.052  10.451   6.478
   59   HD12  ILE   5           HD2      ILE   5  31.927  11.070   5.055
   60   HD13  ILE   5           HD3      ILE   5  30.352  11.765   5.505
   61    H    GLY   6           HN       GLY   6  35.803  13.579   9.739
   62    HA2  GLY   6           HA1      GLY   6  38.110  13.545   9.926
   63    HA3  GLY   6           HA2      GLY   6  38.000  11.986   9.086
   64    H    LYS   7           HN       LYS   7  37.314  15.324   7.974
   65    HA   LYS   7           HA       LYS   7  38.052  16.403   6.051
   66    HB2  LYS   7           HB2      LYS   7  40.689  15.157   6.936
   67    HB3  LYS   7           HB1      LYS   7  40.508  16.533   5.820
   68    HG2  LYS   7           HG2      LYS   7  39.607  17.943   7.528
   69    HG3  LYS   7           HG1      LYS   7  39.331  16.570   8.626
   70    HD2  LYS   7           HD2      LYS   7  41.339  17.917   9.267
   71    HD3  LYS   7           HD1      LYS   7  41.748  16.231   8.874
   72    HE2  LYS   7           HE2      LYS   7  42.659  16.825   6.757
   73    HE3  LYS   7           HE1      LYS   7  41.888  18.432   6.779
   74    HZ1  LYS   7           HZ1      LYS   7  43.295  18.799   8.868
   75    HZ2  LYS   7           HZ2      LYS   7  44.084  18.842   7.363
   76    HZ3  LYS   7           HZ3      LYS   7  44.204  17.463   8.349
   77    H    GLY   8           HN       GLY   8  40.691  15.024   4.821
   78    HA2  GLY   8           HA1      GLY   8  40.101  12.593   3.655
   79    HA3  GLY   8           HA2      GLY   8  39.200  13.751   2.658
   80    H    VAL   9           HN       VAL   9  40.539  13.084   0.881
   81    HA   VAL   9           HA       VAL   9  43.414  13.604   1.005
   82    HB   VAL   9           HB       VAL   9  43.432  13.045  -1.367
   83   HG11  VAL   9          HG11      VAL   9  42.553  10.801  -1.237
   84   HG12  VAL   9          HG12      VAL   9  41.369  11.274   0.005
   85   HG13  VAL   9          HG13      VAL   9  43.105  11.238   0.397
   86   HG21  VAL   9          HG21      VAL   9  41.167  12.509  -2.465
   87   HG22  VAL   9          HG22      VAL   9  41.529  14.232  -2.212
   88   HG23  VAL   9          HG23      VAL   9  40.416  13.387  -1.109
   89    H    LYS  10           HN       LYS  10  41.195  15.754   1.430
   90    HA   LYS  10           HA       LYS  10  41.193  18.052   1.185
   91    HB2  LYS  10           HB2      LYS  10  43.768  17.642   1.028
   92    HB3  LYS  10           HB1      LYS  10  43.554  17.921  -0.715
   93    HG2  LYS  10           HG2      LYS  10  42.329  20.089  -0.071
   94    HG3  LYS  10           HG1      LYS  10  42.955  19.834   1.576
   95    HD2  LYS  10           HD2      LYS  10  45.279  19.660   0.558
   96    HD3  LYS  10           HD1      LYS  10  44.565  20.190  -0.984
   97    HE2  LYS  10           HE2      LYS  10  43.811  22.283   0.029
   98    HE3  LYS  10           HE1      LYS  10  44.364  21.745   1.633
   99    HZ1  LYS  10           HZ1      LYS  10  45.839  23.207  -0.059
  100    HZ2  LYS  10           HZ2      LYS  10  46.367  21.644  -0.463
  101    HZ3  LYS  10           HZ3      LYS  10  46.490  22.198   1.138
  102    H    ILE  11           HN       ILE  11  41.265  15.937  -1.574
  103    HA   ILE  11           HA       ILE  11  39.973  18.068  -3.282
  104    HB   ILE  11           HB       ILE  11  41.121  15.416  -4.216
  105   HG12  ILE  11          HG12      ILE  11  42.490  18.130  -3.916
  106   HG13  ILE  11          HG11      ILE  11  42.923  16.622  -3.077
  107   HG21  ILE  11          HG21      ILE  11  39.511  16.823  -5.662
  108   HG22  ILE  11          HG22      ILE  11  41.084  16.436  -6.392
  109   HG23  ILE  11          HG23      ILE  11  40.794  18.054  -5.712
  110   HD11  ILE  11           HD1      ILE  11  43.246  15.620  -5.460
  111   HD12  ILE  11           HD2      ILE  11  44.480  16.754  -4.863
  112   HD13  ILE  11           HD3      ILE  11  43.247  17.312  -6.017
  113    H    ILE  12           HN       ILE  12  39.772  14.590  -2.407
  114    HA   ILE  12           HA       ILE  12  37.038  14.481  -3.606
  115    HB   ILE  12           HB       ILE  12  38.740  12.285  -2.362
  116   HG12  ILE  12          HG12      ILE  12  38.357  13.014  -5.306
  117   HG13  ILE  12          HG11      ILE  12  39.807  13.389  -4.352
  118   HG21  ILE  12          HG21      ILE  12  37.213  10.778  -3.656
  119   HG22  ILE  12          HG22      ILE  12  36.285  12.200  -4.186
  120   HG23  ILE  12          HG23      ILE  12  36.326  11.748  -2.469
  121   HD11  ILE  12           HD1      ILE  12  40.464  11.382  -5.363
  122   HD12  ILE  12           HD2      ILE  12  38.820  10.710  -5.350
  123   HD13  ILE  12           HD3      ILE  12  39.772  10.762  -3.846
  124    H    GLY  13           HN       GLY  13  37.846  12.357  -0.930
  125    HA2  GLY  13           HA1      GLY  13  35.514  13.035   0.564
  126    HA3  GLY  13           HA2      GLY  13  36.960  12.226   1.210
  127    H    GLY  14           HN       GLY  14  38.199  14.736  -0.213
  128    HA2  GLY  14           HA1      GLY  14  38.433  16.339   2.264
  129    HA3  GLY  14           HA2      GLY  14  39.352  16.536   0.758
  130    H    ALA  15           HN       ALA  15  37.361  16.703  -1.179
  131    HA   ALA  15           HA       ALA  15  36.260  19.402  -0.496
  132    HB1  ALA  15           HB1      ALA  15  35.876  17.818  -3.060
  133    HB2  ALA  15           HB2      ALA  15  37.312  18.828  -2.745
  134    HB3  ALA  15           HB3      ALA  15  35.697  19.569  -2.810
  135    H    ALA  16           HN       ALA  16  35.430  16.947   0.874
  136    HA   ALA  16           HA       ALA  16  33.448  16.192   1.778
  137    HB1  ALA  16           HB1      ALA  16  31.442  17.363   1.494
  138    HB2  ALA  16           HB2      ALA  16  31.794  17.777  -0.199
  139    HB3  ALA  16           HB3      ALA  16  32.653  18.609   1.118
  140    H    LEU  17           HN       LEU  17  34.893  14.775  -0.205
  141    HA   LEU  17           HA       LEU  17  34.522  12.894  -1.527
  142    HB2  LEU  17           HB2      LEU  17  32.454  12.808   0.231
  143    HB3  LEU  17           HB1      LEU  17  31.523  13.009  -1.260
  144    HG   LEU  17           HG       LEU  17  31.743  10.639  -0.755
  145   HD11  LEU  17          HD11      LEU  17  31.780  11.246  -3.125
  146   HD12  LEU  17          HD12      LEU  17  32.821   9.833  -2.840
  147   HD13  LEU  17          HD13      LEU  17  33.549  11.436  -3.080
  148   HD21  LEU  17          HD21      LEU  17  34.098  11.131   0.470
  149   HD22  LEU  17          HD22      LEU  17  34.750  10.631  -1.107
  150   HD23  LEU  17          HD23      LEU  17  33.712   9.526  -0.187
  151    H    ASP  18           HN       ASP  18  34.656  15.515  -2.630
  152    HA   ASP  18           HA       ASP  18  34.288  16.622  -4.628
  153    HB2  ASP  18           HB2      ASP  18  35.157  14.523  -5.572
  154    HB3  ASP  18           HB1      ASP  18  33.517  13.834  -5.578
  155    H    HIS  19           HN       HIS  19  31.767  14.172  -5.213
  156    HA   HIS  19           HA       HIS  19  29.610  16.018  -4.438
  157    HB2  HIS  19           HB2      HIS  19  30.131  15.355  -7.364
  158    HB3  HIS  19           HB1      HIS  19  28.613  16.046  -6.743
  159    HD1  HIS  19           HD1      HIS  19  29.014  18.360  -5.224
  160    HD2  HIS  19           HD2      HIS  19  31.985  17.296  -8.006
  161    HE1  HIS  19           HE1      HIS  19  30.408  20.450  -5.686
  162    H    LEU  20           HN       LEU  20  29.955  13.717  -3.248
  163    HA   LEU  20           HA       LEU  20  28.998  11.647  -2.817
  164    HB2  LEU  20           HB2      LEU  20  26.741  12.456  -4.682
  165    HB3  LEU  20           HB1      LEU  20  26.668  11.440  -3.222
  166    HG   LEU  20           HG       LEU  20  27.261  14.431  -3.320
  167   HD11  LEU  20          HD11      LEU  20  24.874  13.728  -3.670
  168   HD12  LEU  20          HD12      LEU  20  25.117  14.650  -2.168
  169   HD13  LEU  20          HD13      LEU  20  24.932  12.881  -2.106
  170   HD21  LEU  20          HD21      LEU  20  27.292  12.393  -1.055
  171   HD22  LEU  20          HD22      LEU  20  27.057  14.133  -0.756
  172   HD23  LEU  20          HD23      LEU  20  28.560  13.556  -1.510
  Start of MODEL   43
    1    H1   TRP   1           HT1      TRP   1  45.373  -2.544   1.891
    2    H2   TRP   1           HT2      TRP   1  45.013  -3.578   0.591
    3    H3   TRP   1           HT3      TRP   1  43.784  -2.655   1.314
    4    HA   TRP   1           HA       TRP   1  46.125  -1.506  -0.055
    5    HB2  TRP   1           HB2      TRP   1  44.405  -0.986  -1.866
    6    HB3  TRP   1           HB1      TRP   1  44.897  -2.692  -1.737
    7    HD1  TRP   1           HD1      TRP   1  41.927  -0.402  -1.406
    8    HE1  TRP   1           HE1      TRP   1  39.785  -1.768  -0.848
    9    HE3  TRP   1           HE3      TRP   1  44.096  -4.929  -0.398
   10    HZ2  TRP   1           HZ2      TRP   1  39.137  -4.463  -0.071
   11    HZ3  TRP   1           HZ3      TRP   1  42.696  -6.884   0.249
   12    HH2  TRP   1           HH2      TRP   1  40.220  -6.655   0.414
   13    H    LEU   2           HN       LEU   2  45.535  -0.589   2.403
   14    HA   LEU   2           HA       LEU   2  44.792   1.273   3.574
   15    HB2  LEU   2           HB2      LEU   2  45.174   2.338   0.765
   16    HB3  LEU   2           HB1      LEU   2  44.626   3.407   2.079
   17    HG   LEU   2           HG       LEU   2  46.626   2.765   3.420
   18   HD11  LEU   2          HD11      LEU   2  47.166   0.571   2.654
   19   HD12  LEU   2          HD12      LEU   2  48.498   1.591   2.063
   20   HD13  LEU   2          HD13      LEU   2  47.205   1.083   0.950
   21   HD21  LEU   2          HD21      LEU   2  46.585   4.715   1.750
   22   HD22  LEU   2          HD22      LEU   2  47.478   3.654   0.633
   23   HD23  LEU   2          HD23      LEU   2  48.197   4.108   2.196
   24    H    ARG   3           HN       ARG   3  43.167   2.449   0.716
   25    HA   ARG   3           HA       ARG   3  40.555   1.345   1.401
   26    HB2  ARG   3           HB2      ARG   3  40.906   3.159   3.158
   27    HB3  ARG   3           HB1      ARG   3  40.942   4.336   1.822
   28    HG2  ARG   3           HG2      ARG   3  38.687   3.574   1.102
   29    HG3  ARG   3           HG1      ARG   3  38.651   2.423   2.459
   30    HD2  ARG   3           HD2      ARG   3  38.893   5.455   2.698
   31    HD3  ARG   3           HD1      ARG   3  37.430   4.498   3.031
   32    HE   ARG   3           HE       ARG   3  39.637   3.516   4.606
   33   HH11  ARG   3          HH11      ARG   3  40.396   5.634   5.918
   34   HH12  ARG   3          HH12      ARG   3  39.090   6.246   6.879
   35   HH21  ARG   3          HH21      ARG   3  36.647   4.508   5.136
   36   HH22  ARG   3          HH22      ARG   3  36.968   5.608   6.435
   37    H    ARG   4           HN       ARG   4  42.791   3.234  -0.365
   38    HA   ARG   4           HA       ARG   4  41.433   2.798  -2.858
   39    HB2  ARG   4           HB2      ARG   4  40.071   4.714  -1.760
   40    HB3  ARG   4           HB1      ARG   4  41.509   5.723  -2.021
   41    HG2  ARG   4           HG2      ARG   4  41.399   5.389  -4.420
   42    HG3  ARG   4           HG1      ARG   4  40.132   4.152  -4.247
   43    HD2  ARG   4           HD2      ARG   4  38.533   5.778  -3.467
   44    HD3  ARG   4           HD1      ARG   4  39.791   7.028  -3.309
   45    HE   ARG   4           HE       ARG   4  39.680   6.081  -6.028
   46   HH11  ARG   4          HH11      ARG   4  37.282   6.522  -6.812
   47   HH12  ARG   4          HH12      ARG   4  36.846   8.186  -6.603
   48   HH21  ARG   4          HH21      ARG   4  39.438   8.863  -4.403
   49   HH22  ARG   4          HH22      ARG   4  38.067   9.511  -5.240
   50    H    ILE   5           HN       ILE   5  44.030   3.208  -0.975
   51    HA   ILE   5           HA       ILE   5  46.275   3.597  -1.399
   52    HB   ILE   5           HB       ILE   5  45.610   3.436  -4.368
   53   HG12  ILE   5          HG12      ILE   5  45.973   1.191  -2.329
   54   HG13  ILE   5          HG11      ILE   5  44.493   1.561  -3.244
   55   HG21  ILE   5          HG21      ILE   5  47.869   2.667  -4.596
   56   HG22  ILE   5          HG22      ILE   5  48.041   2.412  -2.843
   57   HG23  ILE   5          HG23      ILE   5  47.956   4.065  -3.499
   58   HD11  ILE   5           HD1      ILE   5  45.960   1.227  -5.371
   59   HD12  ILE   5           HD2      ILE   5  45.488  -0.224  -4.453
   60   HD13  ILE   5           HD3      ILE   5  47.125   0.449  -4.273
   61    H    GLY   6           HN       GLY   6  46.072   5.754  -0.587
   62    HA2  GLY   6           HA1      GLY   6  46.696   7.988  -0.801
   63    HA3  GLY   6           HA2      GLY   6  46.938   7.739  -2.542
   64    H    LYS   7           HN       LYS   7  44.266   7.790  -0.139
   65    HA   LYS   7           HA       LYS   7  42.265   8.527  -2.058
   66    HB2  LYS   7           HB2      LYS   7  40.926   9.172  -0.046
   67    HB3  LYS   7           HB1      LYS   7  41.651   7.552   0.082
   68    HG2  LYS   7           HG2      LYS   7  43.580   8.613   1.352
   69    HG3  LYS   7           HG1      LYS   7  42.642  10.126   1.378
   70    HD2  LYS   7           HD2      LYS   7  40.818   9.034   2.580
   71    HD3  LYS   7           HD1      LYS   7  41.636   7.458   2.455
   72    HE2  LYS   7           HE2      LYS   7  41.965   8.546   4.690
   73    HE3  LYS   7           HE1      LYS   7  43.496   8.265   3.826
   74    HZ1  LYS   7           HZ1      LYS   7  42.008  10.835   3.698
   75    HZ2  LYS   7           HZ2      LYS   7  43.598  10.524   3.187
   76    HZ3  LYS   7           HZ3      LYS   7  43.220  10.527   4.844
   77    H    GLY   8           HN       GLY   8  44.369  10.438   0.101
   78    HA2  GLY   8           HA1      GLY   8  44.675  12.735   0.244
   79    HA3  GLY   8           HA2      GLY   8  44.615  12.668  -1.528
   80    H    VAL   9           HN       VAL   9  42.434  12.673   1.325
   81    HA   VAL   9           HA       VAL   9  40.226  13.782  -0.234
   82    HB   VAL   9           HB       VAL   9  39.144  14.067   2.031
   83   HG11  VAL   9          HG11      VAL   9  40.421  11.356   1.445
   84   HG12  VAL   9          HG12      VAL   9  38.909  11.975   0.737
   85   HG13  VAL   9          HG13      VAL   9  38.999  11.626   2.479
   86   HG21  VAL   9          HG21      VAL   9  41.731  12.764   3.005
   87   HG22  VAL   9          HG22      VAL   9  40.306  13.152   3.998
   88   HG23  VAL   9          HG23      VAL   9  41.279  14.463   3.287
   89    H    LYS  10           HN       LYS  10  42.733  15.305  -0.322
   90    HA   LYS  10           HA       LYS  10  42.267  17.711   1.319
   91    HB2  LYS  10           HB2      LYS  10  44.202  17.208  -0.980
   92    HB3  LYS  10           HB1      LYS  10  44.241  18.586   0.146
   93    HG2  LYS  10           HG2      LYS  10  44.783  17.183   2.012
   94    HG3  LYS  10           HG1      LYS  10  44.388  15.701   1.110
   95    HD2  LYS  10           HD2      LYS  10  46.287  16.033  -0.379
   96    HD3  LYS  10           HD1      LYS  10  46.639  17.613   0.358
   97    HE2  LYS  10           HE2      LYS  10  46.652  14.980   1.891
   98    HE3  LYS  10           HE1      LYS  10  48.109  15.742   1.210
   99    HZ1  LYS  10           HZ1      LYS  10  47.644  17.713   2.538
  100    HZ2  LYS  10           HZ2      LYS  10  47.797  16.343   3.531
  101    HZ3  LYS  10           HZ3      LYS  10  46.260  16.982   3.190
  102    H    ILE  11           HN       ILE  11  41.087  16.421  -1.586
  103    HA   ILE  11           HA       ILE  11  39.981  19.104  -2.373
  104    HB   ILE  11           HB       ILE  11  41.008  17.074  -4.395
  105   HG12  ILE  11          HG12      ILE  11  42.389  19.551  -3.263
  106   HG13  ILE  11          HG11      ILE  11  42.929  17.865  -3.088
  107   HG21  ILE  11          HG21      ILE  11  40.471  20.058  -4.711
  108   HG22  ILE  11          HG22      ILE  11  39.213  18.829  -4.983
  109   HG23  ILE  11          HG23      ILE  11  40.679  18.839  -5.990
  110   HD11  ILE  11           HD1      ILE  11  44.250  18.707  -4.871
  111   HD12  ILE  11           HD2      ILE  11  42.881  19.589  -5.588
  112   HD13  ILE  11           HD3      ILE  11  42.951  17.812  -5.694
  113    H    ILE  12           HN       ILE  12  39.916  15.560  -2.645
  114    HA   ILE  12           HA       ILE  12  37.237  15.503  -3.807
  115    HB   ILE  12           HB       ILE  12  38.883  13.380  -2.395
  116   HG12  ILE  12          HG12      ILE  12  38.511  13.872  -5.390
  117   HG13  ILE  12          HG11      ILE  12  39.915  14.436  -4.457
  118   HG21  ILE  12          HG21      ILE  12  36.582  12.655  -2.444
  119   HG22  ILE  12          HG22      ILE  12  37.380  11.817  -3.787
  120   HG23  ILE  12          HG23      ILE  12  36.362  13.240  -4.107
  121   HD11  ILE  12           HD1      ILE  12  39.165  11.623  -5.273
  122   HD12  ILE  12           HD2      ILE  12  40.031  11.838  -3.733
  123   HD13  ILE  12           HD3      ILE  12  40.758  12.407  -5.252
  124    H    GLY  13           HN       GLY  13  38.070  13.592  -0.935
  125    HA2  GLY  13           HA1      GLY  13  35.571  14.156   0.371
  126    HA3  GLY  13           HA2      GLY  13  37.025  13.463   1.131
  127    H    GLY  14           HN       GLY  14  38.173  15.946  -0.431
  128    HA2  GLY  14           HA1      GLY  14  38.316  17.694   1.948
  129    HA3  GLY  14           HA2      GLY  14  39.176  17.901   0.406
  130    H    ALA  15           HN       ALA  15  37.085  17.801  -1.437
  131    HA   ALA  15           HA       ALA  15  35.793  20.441  -0.849
  132    HB1  ALA  15           HB1      ALA  15  36.819  20.016  -3.087
  133    HB2  ALA  15           HB2      ALA  15  35.078  20.366  -3.180
  134    HB3  ALA  15           HB3      ALA  15  35.656  18.691  -3.339
  135    H    ALA  16           HN       ALA  16  35.211  18.009   0.640
  136    HA   ALA  16           HA       ALA  16  33.326  17.068   1.582
  137    HB1  ALA  16           HB1      ALA  16  32.306  19.391   0.908
  138    HB2  ALA  16           HB2      ALA  16  31.214  18.045   1.309
  139    HB3  ALA  16           HB3      ALA  16  31.511  18.473  -0.392
  140    H    LEU  17           HN       LEU  17  34.870  15.791  -0.422
  141    HA   LEU  17           HA       LEU  17  34.698  13.913  -1.787
  142    HB2  LEU  17           HB2      LEU  17  32.977  13.345   0.127
  143    HB3  LEU  17           HB1      LEU  17  31.753  13.661  -1.120
  144    HG   LEU  17           HG       LEU  17  33.279  12.010  -2.589
  145   HD11  LEU  17          HD11      LEU  17  34.310  10.239  -1.220
  146   HD12  LEU  17          HD12      LEU  17  33.862  11.104   0.268
  147   HD13  LEU  17          HD13      LEU  17  35.058  11.806  -0.842
  148   HD21  LEU  17          HD21      LEU  17  31.937  10.069  -1.666
  149   HD22  LEU  17          HD22      LEU  17  30.962  11.508  -2.053
  150   HD23  LEU  17          HD23      LEU  17  31.381  11.145  -0.362
  151    H    ASP  18           HN       ASP  18  33.811  16.722  -2.606
  152    HA   ASP  18           HA       ASP  18  33.052  17.736  -4.540
  153    HB2  ASP  18           HB2      ASP  18  34.621  16.029  -5.541
  154    HB3  ASP  18           HB1      ASP  18  33.214  14.974  -5.801
  155    H    HIS  19           HN       HIS  19  31.592  14.520  -5.150
  156    HA   HIS  19           HA       HIS  19  29.114  15.461  -6.029
  157    HB2  HIS  19           HB2      HIS  19  29.451  12.959  -4.339
  158    HB3  HIS  19           HB1      HIS  19  28.264  13.259  -5.632
  159    HD1  HIS  19           HD1      HIS  19  31.513  11.740  -5.026
  160    HD2  HIS  19           HD2      HIS  19  29.662  13.668  -8.274
  161    HE1  HIS  19           HE1      HIS  19  32.842  11.142  -7.125
  162    H    LEU  20           HN       LEU  20  29.773  14.227  -2.713
  163    HA   LEU  20           HA       LEU  20  27.282  15.319  -1.706
  164    HB2  LEU  20           HB2      LEU  20  28.793  13.321  -0.847
  165    HB3  LEU  20           HB1      LEU  20  29.632  14.588   0.062
  166    HG   LEU  20           HG       LEU  20  27.965  13.698   1.529
  167   HD11  LEU  20          HD11      LEU  20  28.179  16.219   1.389
  168   HD12  LEU  20          HD12      LEU  20  26.643  15.629   2.064
  169   HD13  LEU  20          HD13      LEU  20  26.705  16.228   0.392
  170   HD21  LEU  20          HD21      LEU  20  26.572  12.749  -0.507
  171   HD22  LEU  20          HD22      LEU  20  25.687  14.287  -0.402
  172   HD23  LEU  20          HD23      LEU  20  25.728  13.190   0.992
  Start of MODEL   44
    1    H1   TRP   1           HT1      TRP   1  32.544  11.550  17.569
    2    H2   TRP   1           HT2      TRP   1  31.143  11.827  16.648
    3    H3   TRP   1           HT3      TRP   1  32.421  12.947  16.617
    4    HA   TRP   1           HA       TRP   1  33.853  11.197  15.685
    5    HB2  TRP   1           HB2      TRP   1  32.573   9.313  14.582
    6    HB3  TRP   1           HB1      TRP   1  32.631   9.234  16.359
    7    HD1  TRP   1           HD1      TRP   1  30.264   9.785  13.443
    8    HE1  TRP   1           HE1      TRP   1  27.806   9.820  14.287
    9    HE3  TRP   1           HE3      TRP   1  31.142   9.839  18.487
   10    HZ2  TRP   1           HZ2      TRP   1  26.437   9.866  16.821
   11    HZ3  TRP   1           HZ3      TRP   1  29.245   9.879  20.098
   12    HH2  TRP   1           HH2      TRP   1  26.895   9.891  19.271
   13    H    LEU   2           HN       LEU   2  34.403  11.795  13.678
   14    HA   LEU   2           HA       LEU   2  32.707  13.697  12.278
   15    HB2  LEU   2           HB2      LEU   2  35.137  12.285  11.124
   16    HB3  LEU   2           HB1      LEU   2  34.509  13.905  10.740
   17    HG   LEU   2           HG       LEU   2  35.726  13.037  13.402
   18   HD11  LEU   2          HD11      LEU   2  37.345  13.308  11.520
   19   HD12  LEU   2          HD12      LEU   2  37.559  14.550  12.778
   20   HD13  LEU   2          HD13      LEU   2  36.732  14.958  11.255
   21   HD21  LEU   2          HD21      LEU   2  35.613  15.597  13.788
   22   HD22  LEU   2          HD22      LEU   2  34.080  14.704  13.901
   23   HD23  LEU   2          HD23      LEU   2  34.461  15.636  12.432
   24    H    ARG   3           HN       ARG   3  32.683  10.344  12.474
   25    HA   ARG   3           HA       ARG   3  31.366   8.802  11.355
   26    HB2  ARG   3           HB2      ARG   3  29.928  10.961  10.827
   27    HB3  ARG   3           HB1      ARG   3  30.616  10.799   9.199
   28    HG2  ARG   3           HG2      ARG   3  28.683   9.499   8.969
   29    HG3  ARG   3           HG1      ARG   3  29.854   8.251   9.450
   30    HD2  ARG   3           HD2      ARG   3  29.095   8.418  11.794
   31    HD3  ARG   3           HD1      ARG   3  27.977   9.730  11.355
   32    HE   ARG   3           HE       ARG   3  27.458   6.920  11.019
   33   HH11  ARG   3          HH11      ARG   3  26.009   9.834  10.689
   34   HH12  ARG   3          HH12      ARG   3  25.106   9.469   9.257
   35   HH21  ARG   3          HH21      ARG   3  26.783   6.498   8.638
   36   HH22  ARG   3          HH22      ARG   3  25.545   7.580   8.096
   37    H    ARG   4           HN       ARG   4  33.117  11.041   9.172
   38    HA   ARG   4           HA       ARG   4  33.691   8.908   7.249
   39    HB2  ARG   4           HB2      ARG   4  34.725  11.750   7.584
   40    HB3  ARG   4           HB1      ARG   4  35.201  10.672   6.249
   41    HG2  ARG   4           HG2      ARG   4  32.939  10.530   5.437
   42    HG3  ARG   4           HG1      ARG   4  32.295  11.313   6.900
   43    HD2  ARG   4           HD2      ARG   4  34.257  12.684   5.018
   44    HD3  ARG   4           HD1      ARG   4  32.491  12.821   4.845
   45    HE   ARG   4           HE       ARG   4  32.921  13.505   7.489
   46   HH11  ARG   4          HH11      ARG   4  33.967  14.556   4.383
   47   HH12  ARG   4          HH12      ARG   4  34.420  16.138   4.921
   48   HH21  ARG   4          HH21      ARG   4  33.619  15.528   8.238
   49   HH22  ARG   4          HH22      ARG   4  34.222  16.689   7.104
   50    H    ILE   5           HN       ILE   5  34.920   9.799  10.276
   51    HA   ILE   5           HA       ILE   5  36.790   9.130  11.453
   52    HB   ILE   5           HB       ILE   5  37.386   7.164   9.203
   53   HG12  ILE   5          HG12      ILE   5  35.401   6.943  11.512
   54   HG13  ILE   5          HG11      ILE   5  35.008   6.958   9.777
   55   HG21  ILE   5          HG21      ILE   5  37.754   6.874  12.212
   56   HG22  ILE   5          HG22      ILE   5  39.013   7.563  11.159
   57   HG23  ILE   5          HG23      ILE   5  38.471   5.888  10.915
   58   HD11  ILE   5           HD1      ILE   5  34.981   4.655  10.352
   59   HD12  ILE   5           HD2      ILE   5  36.423   4.803  11.381
   60   HD13  ILE   5           HD3      ILE   5  36.581   4.886   9.608
   61    H    GLY   6           HN       GLY   6  38.055   8.475   8.156
   62    HA2  GLY   6           HA1      GLY   6  40.477   9.963   8.747
   63    HA3  GLY   6           HA2      GLY   6  40.024   9.239   7.192
   64    H    LYS   7           HN       LYS   7  37.532  11.174   8.389
   65    HA   LYS   7           HA       LYS   7  36.701  13.221   7.712
   66    HB2  LYS   7           HB2      LYS   7  38.770  13.984   8.964
   67    HB3  LYS   7           HB1      LYS   7  39.599  14.084   7.394
   68    HG2  LYS   7           HG2      LYS   7  37.937  15.691   6.575
   69    HG3  LYS   7           HG1      LYS   7  37.013  15.542   8.090
   70    HD2  LYS   7           HD2      LYS   7  39.011  16.369   9.352
   71    HD3  LYS   7           HD1      LYS   7  39.858  16.607   7.805
   72    HE2  LYS   7           HE2      LYS   7  37.331  18.004   8.773
   73    HE3  LYS   7           HE1      LYS   7  38.913  18.740   8.416
   74    HZ1  LYS   7           HZ1      LYS   7  37.929  19.140   6.444
   75    HZ2  LYS   7           HZ2      LYS   7  36.805  17.875   6.600
   76    HZ3  LYS   7           HZ3      LYS   7  38.395  17.546   6.099
   77    H    GLY   8           HN       GLY   8  39.711  13.320   5.761
   78    HA2  GLY   8           HA1      GLY   8  38.604  12.373   3.338
   79    HA3  GLY   8           HA2      GLY   8  38.300  14.120   3.400
   80    H    VAL   9           HN       VAL   9  39.840  13.055   1.389
   81    HA   VAL   9           HA       VAL   9  42.639  12.957   1.947
   82    HB   VAL   9           HB       VAL   9  41.226  13.835  -0.614
   83   HG11  VAL   9          HG11      VAL   9  44.091  13.011   0.015
   84   HG12  VAL   9          HG12      VAL   9  43.534  14.533  -0.719
   85   HG13  VAL   9          HG13      VAL   9  43.423  13.011  -1.634
   86   HG21  VAL   9          HG21      VAL   9  41.543  11.491  -1.296
   87   HG22  VAL   9          HG22      VAL   9  40.607  11.559   0.217
   88   HG23  VAL   9          HG23      VAL   9  42.332  11.126   0.258
   89    H    LYS  10           HN       LYS  10  41.347  15.560  -0.116
   90    HA   LYS  10           HA       LYS  10  42.028  17.696   1.704
   91    HB2  LYS  10           HB2      LYS  10  44.331  16.855   1.155
   92    HB3  LYS  10           HB1      LYS  10  44.011  17.229  -0.555
   93    HG2  LYS  10           HG2      LYS  10  43.658  19.594  -0.015
   94    HG3  LYS  10           HG1      LYS  10  43.853  19.251   1.722
   95    HD2  LYS  10           HD2      LYS  10  46.172  18.500   1.329
   96    HD3  LYS  10           HD1      LYS  10  45.985  18.805  -0.416
   97    HE2  LYS  10           HE2      LYS  10  47.131  20.701   0.680
   98    HE3  LYS  10           HE1      LYS  10  45.541  21.203   0.060
   99    HZ1  LYS  10           HZ1      LYS  10  45.551  20.167   2.773
  100    HZ2  LYS  10           HZ2      LYS  10  44.745  21.514   2.121
  101    HZ3  LYS  10           HZ3      LYS  10  46.382  21.631   2.565
  102    H    ILE  11           HN       ILE  11  41.332  16.453  -1.494
  103    HA   ILE  11           HA       ILE  11  39.957  19.053  -2.148
  104    HB   ILE  11           HB       ILE  11  41.417  17.364  -4.224
  105   HG12  ILE  11          HG12      ILE  11  42.386  19.865  -2.762
  106   HG13  ILE  11          HG11      ILE  11  43.074  18.232  -2.603
  107   HG21  ILE  11          HG21      ILE  11  40.576  20.290  -4.315
  108   HG22  ILE  11          HG22      ILE  11  39.495  18.973  -4.828
  109   HG23  ILE  11          HG23      ILE  11  41.037  19.234  -5.671
  110   HD11  ILE  11           HD1      ILE  11  44.499  19.309  -4.168
  111   HD12  ILE  11           HD2      ILE  11  43.137  20.087  -5.007
  112   HD13  ILE  11           HD3      ILE  11  43.410  18.336  -5.184
  113    H    ILE  12           HN       ILE  12  40.413  15.631  -3.131
  114    HA   ILE  12           HA       ILE  12  37.723  15.487  -4.275
  115    HB   ILE  12           HB       ILE  12  39.689  13.313  -3.480
  116   HG12  ILE  12          HG12      ILE  12  40.748  14.802  -5.077
  117   HG13  ILE  12          HG11      ILE  12  40.312  13.308  -5.928
  118   HG21  ILE  12          HG21      ILE  12  37.044  13.285  -4.957
  119   HG22  ILE  12          HG22      ILE  12  37.725  12.096  -3.827
  120   HG23  ILE  12          HG23      ILE  12  38.310  12.159  -5.504
  121   HD11  ILE  12           HD1      ILE  12  39.598  14.981  -7.428
  122   HD12  ILE  12           HD2      ILE  12  39.045  16.057  -6.126
  123   HD13  ILE  12           HD3      ILE  12  38.101  14.609  -6.547
  124    H    GLY  13           HN       GLY  13  38.748  12.861  -2.169
  125    HA2  GLY  13           HA1      GLY  13  36.301  12.679  -0.769
  126    HA3  GLY  13           HA2      GLY  13  37.865  12.077  -0.176
  127    H    GLY  14           HN       GLY  14  38.669  14.979  -0.813
  128    HA2  GLY  14           HA1      GLY  14  38.433  15.979   1.935
  129    HA3  GLY  14           HA2      GLY  14  39.277  16.757   0.578
  130    H    ALA  15           HN       ALA  15  37.330  17.002  -1.364
  131    HA   ALA  15           HA       ALA  15  35.578  19.059  -0.072
  132    HB1  ALA  15           HB1      ALA  15  35.748  18.241  -2.997
  133    HB2  ALA  15           HB2      ALA  15  36.750  19.513  -2.251
  134    HB3  ALA  15           HB3      ALA  15  34.984  19.698  -2.326
  135    H    ALA  16           HN       ALA  16  35.374  16.163   0.436
  136    HA   ALA  16           HA       ALA  16  33.601  14.763   0.931
  137    HB1  ALA  16           HB1      ALA  16  31.660  16.364  -0.748
  138    HB2  ALA  16           HB2      ALA  16  32.234  17.017   0.804
  139    HB3  ALA  16           HB3      ALA  16  31.378  15.457   0.757
  140    H    LEU  17           HN       LEU  17  35.442  14.364  -1.192
  141    HA   LEU  17           HA       LEU  17  35.666  12.968  -3.037
  142    HB2  LEU  17           HB2      LEU  17  33.863  11.710  -1.447
  143    HB3  LEU  17           HB1      LEU  17  32.826  11.963  -2.864
  144    HG   LEU  17           HG       LEU  17  35.575  10.622  -2.926
  145   HD11  LEU  17          HD11      LEU  17  33.941   9.248  -1.715
  146   HD12  LEU  17          HD12      LEU  17  34.248   8.544  -3.320
  147   HD13  LEU  17          HD13      LEU  17  32.754   9.465  -3.023
  148   HD21  LEU  17          HD21      LEU  17  34.810   9.928  -5.216
  149   HD22  LEU  17          HD22      LEU  17  34.997  11.690  -5.060
  150   HD23  LEU  17          HD23      LEU  17  33.374  10.958  -5.017
  151    H    ASP  18           HN       ASP  18  34.982  15.626  -3.513
  152    HA   ASP  18           HA       ASP  18  34.099  17.021  -5.147
  153    HB2  ASP  18           HB2      ASP  18  35.560  15.510  -6.515
  154    HB3  ASP  18           HB1      ASP  18  34.136  14.489  -6.835
  155    H    HIS  19           HN       HIS  19  32.197  15.755  -3.366
  156    HA   HIS  19           HA       HIS  19  29.906  15.436  -3.175
  157    HB2  HIS  19           HB2      HIS  19  29.971  17.759  -4.128
  158    HB3  HIS  19           HB1      HIS  19  29.781  17.052  -5.750
  159    HD1  HIS  19           HD1      HIS  19  28.027  15.846  -2.574
  160    HD2  HIS  19           HD2      HIS  19  27.111  17.695  -6.239
  161    HE1  HIS  19           HE1      HIS  19  25.481  15.988  -2.741
  162    H    LEU  20           HN       LEU  20  30.797  13.155  -3.905
  163    HA   LEU  20           HA       LEU  20  28.754  12.097  -5.692
  164    HB2  LEU  20           HB2      LEU  20  30.541  13.005  -7.280
  165    HB3  LEU  20           HB1      LEU  20  31.640  11.790  -6.594
  166    HG   LEU  20           HG       LEU  20  29.689  10.080  -7.172
  167   HD11  LEU  20          HD11      LEU  20  28.494  10.781  -9.283
  168   HD12  LEU  20          HD12      LEU  20  29.073  12.439  -9.013
  169   HD13  LEU  20          HD13      LEU  20  27.970  11.678  -7.842
  170   HD21  LEU  20          HD21      LEU  20  30.653   9.757  -9.433
  171   HD22  LEU  20          HD22      LEU  20  31.926  10.086  -8.232
  172   HD23  LEU  20          HD23      LEU  20  31.400  11.371  -9.345
  Start of MODEL   45
    1    H1   TRP   1           HT1      TRP   1  45.989  13.939   8.672
    2    H2   TRP   1           HT2      TRP   1  46.832  13.757  10.137
    3    H3   TRP   1           HT3      TRP   1  45.531  14.845  10.029
    4    HA   TRP   1           HA       TRP   1  44.622  13.068  11.114
    5    HB2  TRP   1           HB2      TRP   1  44.134  12.735   8.128
    6    HB3  TRP   1           HB1      TRP   1  43.149  11.976   9.402
    7    HD1  TRP   1           HD1      TRP   1  43.559  15.142   7.487
    8    HE1  TRP   1           HE1      TRP   1  41.967  16.991   8.386
    9    HE3  TRP   1           HE3      TRP   1  42.061  12.877  11.828
   10    HZ2  TRP   1           HZ2      TRP   1  40.283  17.400  10.687
   11    HZ3  TRP   1           HZ3      TRP   1  40.462  14.014  13.359
   12    HH2  TRP   1           HH2      TRP   1  39.572  16.271  12.794
   13    H    LEU   2           HN       LEU   2  44.256  10.742  11.311
   14    HA   LEU   2           HA       LEU   2  46.741   9.292  11.166
   15    HB2  LEU   2           HB2      LEU   2  43.985   8.054  11.466
   16    HB3  LEU   2           HB1      LEU   2  45.537   7.457  12.100
   17    HG   LEU   2           HG       LEU   2  44.101  10.008  12.966
   18   HD11  LEU   2          HD11      LEU   2  43.856   8.787  15.119
   19   HD12  LEU   2          HD12      LEU   2  44.612   7.353  14.383
   20   HD13  LEU   2          HD13      LEU   2  43.039   7.936  13.787
   21   HD21  LEU   2          HD21      LEU   2  46.439  10.448  13.189
   22   HD22  LEU   2          HD22      LEU   2  46.792   8.780  13.698
   23   HD23  LEU   2          HD23      LEU   2  45.940   9.888  14.800
   24    H    ARG   3           HN       ARG   3  44.463  10.050   8.809
   25    HA   ARG   3           HA       ARG   3  44.262   9.409   6.603
   26    HB2  ARG   3           HB2      ARG   3  46.560   7.459   6.990
   27    HB3  ARG   3           HB1      ARG   3  45.989   8.205   5.484
   28    HG2  ARG   3           HG2      ARG   3  46.562  10.471   6.517
   29    HG3  ARG   3           HG1      ARG   3  47.385   9.578   7.817
   30    HD2  ARG   3           HD2      ARG   3  49.014  10.193   6.090
   31    HD3  ARG   3           HD1      ARG   3  48.791   8.427   6.099
   32    HE   ARG   3           HE       ARG   3  46.957   9.388   4.212
   33   HH11  ARG   3          HH11      ARG   3  47.862   8.292   2.258
   34   HH12  ARG   3          HH12      ARG   3  49.364   8.936   1.687
   35   HH21  ARG   3          HH21      ARG   3  49.979  10.770   4.566
   36   HH22  ARG   3          HH22      ARG   3  50.564  10.337   2.993
   37    H    ARG   4           HN       ARG   4  44.533   6.913   9.076
   38    HA   ARG   4           HA       ARG   4  43.183   4.876   7.462
   39    HB2  ARG   4           HB2      ARG   4  44.779   4.303   9.284
   40    HB3  ARG   4           HB1      ARG   4  43.670   5.036  10.466
   41    HG2  ARG   4           HG2      ARG   4  41.930   3.419   9.924
   42    HG3  ARG   4           HG1      ARG   4  42.908   2.754   8.593
   43    HD2  ARG   4           HD2      ARG   4  43.119   1.296  10.549
   44    HD3  ARG   4           HD1      ARG   4  44.671   2.121  10.265
   45    HE   ARG   4           HE       ARG   4  42.979   3.585  12.128
   46   HH11  ARG   4          HH11      ARG   4  45.314   4.045  13.208
   47   HH12  ARG   4          HH12      ARG   4  45.784   2.706  14.201
   48   HH21  ARG   4          HH21      ARG   4  43.512   0.508  12.775
   49   HH22  ARG   4          HH22      ARG   4  44.764   0.704  13.956
   50    H    ILE   5           HN       ILE   5  42.344   7.522   9.571
   51    HA   ILE   5           HA       ILE   5  39.450   6.971   9.071
   52    HB   ILE   5           HB       ILE   5  40.435   7.640  11.880
   53   HG12  ILE   5          HG12      ILE   5  39.727   4.931  10.659
   54   HG13  ILE   5          HG11      ILE   5  41.303   5.420  11.324
   55   HG21  ILE   5          HG21      ILE   5  38.172   7.192  12.528
   56   HG22  ILE   5          HG22      ILE   5  37.790   6.443  10.958
   57   HG23  ILE   5          HG23      ILE   5  38.054   8.199  11.068
   58   HD11  ILE   5           HD1      ILE   5  38.704   4.905  12.808
   59   HD12  ILE   5           HD2      ILE   5  40.015   5.863  13.541
   60   HD13  ILE   5           HD3      ILE   5  40.302   4.170  13.075
   61    H    GLY   6           HN       GLY   6  40.327   8.792   7.593
   62    HA2  GLY   6           HA1      GLY   6  39.199  11.239   8.501
   63    HA3  GLY   6           HA2      GLY   6  40.960  11.342   8.699
   64    H    LYS   7           HN       LYS   7  41.522   9.588   6.410
   65    HA   LYS   7           HA       LYS   7  42.044   9.916   4.170
   66    HB2  LYS   7           HB2      LYS   7  39.152  10.839   4.292
   67    HB3  LYS   7           HB1      LYS   7  40.055  10.804   2.760
   68    HG2  LYS   7           HG2      LYS   7  38.728   8.714   3.167
   69    HG3  LYS   7           HG1      LYS   7  40.473   8.411   3.001
   70    HD2  LYS   7           HD2      LYS   7  40.761   8.066   5.336
   71    HD3  LYS   7           HD1      LYS   7  39.200   8.828   5.733
   72    HE2  LYS   7           HE2      LYS   7  39.446   6.263   4.106
   73    HE3  LYS   7           HE1      LYS   7  39.225   6.285   5.871
   74    HZ1  LYS   7           HZ1      LYS   7  37.408   7.677   3.972
   75    HZ2  LYS   7           HZ2      LYS   7  37.163   7.403   5.631
   76    HZ3  LYS   7           HZ3      LYS   7  37.135   6.102   4.539
   77    H    GLY   8           HN       GLY   8  39.849  12.659   4.040
   78    HA2  GLY   8           HA1      GLY   8  40.247  14.904   3.674
   79    HA3  GLY   8           HA2      GLY   8  41.691  14.727   4.691
   80    H    VAL   9           HN       VAL   9  40.575  13.758   1.410
   81    HA   VAL   9           HA       VAL   9  43.270  13.841   0.341
   82    HB   VAL   9           HB       VAL   9  40.735  14.095  -1.333
   83   HG11  VAL   9          HG11      VAL   9  42.870  14.168  -2.546
   84   HG12  VAL   9          HG12      VAL   9  42.064  12.614  -2.861
   85   HG13  VAL   9          HG13      VAL   9  43.424  12.695  -1.717
   86   HG21  VAL   9          HG21      VAL   9  40.223  12.357   0.277
   87   HG22  VAL   9          HG22      VAL   9  41.842  11.639   0.094
   88   HG23  VAL   9          HG23      VAL   9  40.676  11.561  -1.249
   89    H    LYS  10           HN       LYS  10  41.260  16.243   1.405
   90    HA   LYS  10           HA       LYS  10  41.323  18.540   1.218
   91    HB2  LYS  10           HB2      LYS  10  43.739  18.243  -0.603
   92    HB3  LYS  10           HB1      LYS  10  43.268  19.651   0.369
   93    HG2  LYS  10           HG2      LYS  10  43.673  18.434   2.441
   94    HG3  LYS  10           HG1      LYS  10  43.995  16.932   1.544
   95    HD2  LYS  10           HD2      LYS  10  45.920  18.031   0.417
   96    HD3  LYS  10           HD1      LYS  10  45.619  19.506   1.366
   97    HE2  LYS  10           HE2      LYS  10  47.373  18.218   2.469
   98    HE3  LYS  10           HE1      LYS  10  45.901  18.142   3.466
   99    HZ1  LYS  10           HZ1      LYS  10  47.319  16.032   2.165
  100    HZ2  LYS  10           HZ2      LYS  10  45.684  16.048   1.700
  101    HZ3  LYS  10           HZ3      LYS  10  46.102  15.946   3.344
  102    H    ILE  11           HN       ILE  11  41.233  16.542  -1.615
  103    HA   ILE  11           HA       ILE  11  39.999  18.802  -3.195
  104    HB   ILE  11           HB       ILE  11  41.290  16.245  -4.210
  105   HG12  ILE  11          HG12      ILE  11  43.019  17.636  -3.214
  106   HG13  ILE  11          HG11      ILE  11  43.153  17.757  -4.979
  107   HG21  ILE  11          HG21      ILE  11  39.907  18.594  -5.532
  108   HG22  ILE  11          HG22      ILE  11  39.843  16.867  -5.934
  109   HG23  ILE  11          HG23      ILE  11  41.269  17.828  -6.382
  110   HD11  ILE  11           HD1      ILE  11  43.355  19.999  -4.264
  111   HD12  ILE  11           HD2      ILE  11  42.113  19.815  -3.007
  112   HD13  ILE  11           HD3      ILE  11  41.642  19.886  -4.719
  113    H    ILE  12           HN       ILE  12  39.892  15.297  -2.482
  114    HA   ILE  12           HA       ILE  12  37.152  15.149  -3.672
  115    HB   ILE  12           HB       ILE  12  39.014  12.998  -2.600
  116   HG12  ILE  12          HG12      ILE  12  38.353  13.710  -5.502
  117   HG13  ILE  12          HG11      ILE  12  39.809  14.272  -4.653
  118   HG21  ILE  12          HG21      ILE  12  36.262  12.936  -3.891
  119   HG22  ILE  12          HG22      ILE  12  36.877  11.993  -2.515
  120   HG23  ILE  12          HG23      ILE  12  37.374  11.576  -4.161
  121   HD11  ILE  12           HD1      ILE  12  40.700  12.362  -5.634
  122   HD12  ILE  12           HD2      ILE  12  39.140  11.516  -5.675
  123   HD13  ILE  12           HD3      ILE  12  40.062  11.606  -4.157
  124    H    GLY  13           HN       GLY  13  38.114  12.911  -1.152
  125    HA2  GLY  13           HA1      GLY  13  35.800  13.361   0.426
  126    HA3  GLY  13           HA2      GLY  13  37.307  12.613   1.002
  127    H    GLY  14           HN       GLY  14  38.381  15.251  -0.266
  128    HA2  GLY  14           HA1      GLY  14  38.521  16.742   2.290
  129    HA3  GLY  14           HA2      GLY  14  39.422  17.075   0.797
  130    H    ALA  15           HN       ALA  15  37.472  17.248  -1.140
  131    HA   ALA  15           HA       ALA  15  36.156  19.804  -0.303
  132    HB1  ALA  15           HB1      ALA  15  35.718  20.148  -2.608
  133    HB2  ALA  15           HB2      ALA  15  35.926  18.424  -2.998
  134    HB3  ALA  15           HB3      ALA  15  37.338  19.417  -2.560
  135    H    ALA  16           HN       ALA  16  35.487  17.147   0.802
  136    HA   ALA  16           HA       ALA  16  33.533  16.189   1.584
  137    HB1  ALA  16           HB1      ALA  16  31.813  17.793  -0.319
  138    HB2  ALA  16           HB2      ALA  16  32.573  18.590   1.077
  139    HB3  ALA  16           HB3      ALA  16  31.455  17.230   1.331
  140    H    LEU  17           HN       LEU  17  35.092  14.907  -0.250
  141    HA   LEU  17           HA       LEU  17  34.982  13.167  -1.788
  142    HB2  LEU  17           HB2      LEU  17  31.965  13.181  -1.393
  143    HB3  LEU  17           HB1      LEU  17  32.964  11.843  -1.987
  144    HG   LEU  17           HG       LEU  17  33.503  13.008   0.772
  145   HD11  LEU  17          HD11      LEU  17  31.118  12.551   0.832
  146   HD12  LEU  17          HD12      LEU  17  31.961  11.236   1.686
  147   HD13  LEU  17          HD13      LEU  17  31.355  10.979   0.033
  148   HD21  LEU  17          HD21      LEU  17  35.026  11.292  -0.390
  149   HD22  LEU  17          HD22      LEU  17  33.679  10.142  -0.257
  150   HD23  LEU  17          HD23      LEU  17  34.418  10.820   1.212
  151    H    ASP  18           HN       ASP  18  34.228  16.136  -2.418
  152    HA   ASP  18           HA       ASP  18  33.763  17.348  -4.332
  153    HB2  ASP  18           HB2      ASP  18  35.521  15.815  -5.264
  154    HB3  ASP  18           HB1      ASP  18  34.224  14.727  -5.811
  155    H    HIS  19           HN       HIS  19  32.512  14.209  -5.517
  156    HA   HIS  19           HA       HIS  19  29.739  14.933  -4.991
  157    HB2  HIS  19           HB2      HIS  19  30.238  16.442  -6.913
  158    HB3  HIS  19           HB1      HIS  19  30.696  15.019  -7.881
  159    HD1  HIS  19           HD1      HIS  19  27.711  15.721  -5.544
  160    HD2  HIS  19           HD2      HIS  19  28.525  14.326  -9.425
  161    HE1  HIS  19           HE1      HIS  19  25.472  15.156  -6.633
  162    H    LEU  20           HN       LEU  20  31.170  12.730  -4.245
  163    HA   LEU  20           HA       LEU  20  29.587  10.616  -5.436
  164    HB2  LEU  20           HB2      LEU  20  31.178  10.697  -7.246
  165    HB3  LEU  20           HB1      LEU  20  32.548  10.784  -6.119
  166    HG   LEU  20           HG       LEU  20  32.197   8.501  -5.390
  167   HD11  LEU  20          HD11      LEU  20  29.601   8.737  -6.962
  168   HD12  LEU  20          HD12      LEU  20  29.824   8.280  -5.255
  169   HD13  LEU  20          HD13      LEU  20  30.304   7.154  -6.545
  170   HD21  LEU  20          HD21      LEU  20  32.491   7.284  -7.521
  171   HD22  LEU  20          HD22      LEU  20  33.389   8.822  -7.546
  172   HD23  LEU  20          HD23      LEU  20  31.843   8.680  -8.416
  Start of MODEL   46
    1    H1   TRP   1           HT1      TRP   1  37.857   1.697  10.776
    2    H2   TRP   1           HT2      TRP   1  36.222   2.156  10.828
    3    H3   TRP   1           HT3      TRP   1  37.034   1.729  12.258
    4    HA   TRP   1           HA       TRP   1  36.838   4.224  10.972
    5    HB2  TRP   1           HB2      TRP   1  38.291   3.483  13.536
    6    HB3  TRP   1           HB1      TRP   1  37.516   5.030  13.118
    7    HD1  TRP   1           HD1      TRP   1  34.731   4.476  12.321
    8    HE1  TRP   1           HE1      TRP   1  32.975   3.242  13.789
    9    HE3  TRP   1           HE3      TRP   1  37.914   1.954  15.438
   10    HZ2  TRP   1           HZ2      TRP   1  32.985   1.414  16.014
   11    HZ3  TRP   1           HZ3      TRP   1  37.020   0.471  17.227
   12    HH2  TRP   1           HH2      TRP   1  34.561   0.198  17.518
   13    H    LEU   2           HN       LEU   2  38.202   4.836   9.406
   14    HA   LEU   2           HA       LEU   2  40.932   3.870   9.253
   15    HB2  LEU   2           HB2      LEU   2  39.380   6.065   7.845
   16    HB3  LEU   2           HB1      LEU   2  41.104   5.795   7.521
   17    HG   LEU   2           HG       LEU   2  39.470   4.647   5.926
   18   HD11  LEU   2          HD11      LEU   2  41.183   2.578   7.357
   19   HD12  LEU   2          HD12      LEU   2  41.920   3.911   6.444
   20   HD13  LEU   2          HD13      LEU   2  40.851   2.756   5.621
   21   HD21  LEU   2          HD21      LEU   2  37.873   3.992   7.799
   22   HD22  LEU   2          HD22      LEU   2  39.032   2.718   8.247
   23   HD23  LEU   2          HD23      LEU   2  38.263   2.697   6.645
   24    H    ARG   3           HN       ARG   3  40.261   7.310   9.038
   25    HA   ARG   3           HA       ARG   3  41.927   7.821  11.492
   26    HB2  ARG   3           HB2      ARG   3  42.306   9.014   8.714
   27    HB3  ARG   3           HB1      ARG   3  43.039   9.680  10.194
   28    HG2  ARG   3           HG2      ARG   3  44.175   7.522  10.612
   29    HG3  ARG   3           HG1      ARG   3  43.436   6.845   9.140
   30    HD2  ARG   3           HD2      ARG   3  45.758   7.618   8.713
   31    HD3  ARG   3           HD1      ARG   3  44.575   8.553   7.767
   32    HE   ARG   3           HE       ARG   3  45.002   9.936  10.215
   33   HH11  ARG   3          HH11      ARG   3  45.296  11.748   8.195
   34   HH12  ARG   3          HH12      ARG   3  46.989  11.875   7.852
   35   HH21  ARG   3          HH21      ARG   3  47.800   8.893   9.425
   36   HH22  ARG   3          HH22      ARG   3  48.407  10.258   8.548
   37    H    ARG   4           HN       ARG   4  39.351   8.577   9.304
   38    HA   ARG   4           HA       ARG   4  38.307  10.595  11.234
   39    HB2  ARG   4           HB2      ARG   4  38.447  11.191   8.253
   40    HB3  ARG   4           HB1      ARG   4  37.925  12.276   9.563
   41    HG2  ARG   4           HG2      ARG   4  40.261  12.091  10.534
   42    HG3  ARG   4           HG1      ARG   4  40.736  11.213   9.059
   43    HD2  ARG   4           HD2      ARG   4  40.005  13.150   7.683
   44    HD3  ARG   4           HD1      ARG   4  39.575  14.032   9.169
   45    HE   ARG   4           HE       ARG   4  42.207  13.868   8.084
   46   HH11  ARG   4          HH11      ARG   4  42.575  12.009  10.395
   47   HH12  ARG   4          HH12      ARG   4  42.996  13.096  11.676
   48   HH21  ARG   4          HH21      ARG   4  41.854  15.917  10.014
   49   HH22  ARG   4          HH22      ARG   4  42.587  15.309  11.461
   50    H    ILE   5           HN       ILE   5  37.870   7.781   9.831
   51    HA   ILE   5           HA       ILE   5  36.010   6.517   9.292
   52    HB   ILE   5           HB       ILE   5  34.272   8.829  10.253
   53   HG12  ILE   5          HG12      ILE   5  35.702   6.661  11.859
   54   HG13  ILE   5          HG11      ILE   5  35.998   8.412  11.951
   55   HG21  ILE   5          HG21      ILE   5  32.650   7.124  10.698
   56   HG22  ILE   5          HG22      ILE   5  33.847   5.823  10.490
   57   HG23  ILE   5          HG23      ILE   5  33.289   6.756   9.081
   58   HD11  ILE   5           HD1      ILE   5  33.556   6.854  12.862
   59   HD12  ILE   5           HD2      ILE   5  33.470   8.607  12.555
   60   HD13  ILE   5           HD3      ILE   5  34.573   7.972  13.799
   61    H    GLY   6           HN       GLY   6  34.566   9.755   8.725
   62    HA2  GLY   6           HA1      GLY   6  33.617   8.926   6.114
   63    HA3  GLY   6           HA2      GLY   6  33.518  10.553   6.814
   64    H    LYS   7           HN       LYS   7  36.658   9.178   6.854
   65    HA   LYS   7           HA       LYS   7  38.589   9.786   5.727
   66    HB2  LYS   7           HB2      LYS   7  36.789   9.962   3.282
   67    HB3  LYS   7           HB1      LYS   7  38.541   9.648   3.317
   68    HG2  LYS   7           HG2      LYS   7  38.053   7.570   4.688
   69    HG3  LYS   7           HG1      LYS   7  36.323   7.849   4.377
   70    HD2  LYS   7           HD2      LYS   7  36.879   7.871   1.890
   71    HD3  LYS   7           HD1      LYS   7  38.512   7.311   2.329
   72    HE2  LYS   7           HE2      LYS   7  37.421   5.382   3.566
   73    HE3  LYS   7           HE1      LYS   7  35.868   5.893   2.863
   74    HZ1  LYS   7           HZ1      LYS   7  37.084   5.769   0.647
   75    HZ2  LYS   7           HZ2      LYS   7  36.698   4.295   1.398
   76    HZ3  LYS   7           HZ3      LYS   7  38.286   4.897   1.467
   77    H    GLY   8           HN       GLY   8  39.402  11.461   3.889
   78    HA2  GLY   8           HA1      GLY   8  38.166  13.906   3.441
   79    HA3  GLY   8           HA2      GLY   8  38.862  14.064   5.067
   80    H    VAL   9           HN       VAL   9  39.608  13.316   1.666
   81    HA   VAL   9           HA       VAL   9  42.446  13.286   1.951
   82    HB   VAL   9           HB       VAL   9  40.778  14.133  -0.461
   83   HG11  VAL   9          HG11      VAL   9  43.705  13.367  -0.105
   84   HG12  VAL   9          HG12      VAL   9  43.052  14.874  -0.790
   85   HG13  VAL   9          HG13      VAL   9  42.886  13.344  -1.684
   86   HG21  VAL   9          HG21      VAL   9  40.268  11.855   0.402
   87   HG22  VAL   9          HG22      VAL   9  41.999  11.450   0.325
   88   HG23  VAL   9          HG23      VAL   9  41.098  11.790  -1.172
   89    H    LYS  10           HN       LYS  10  41.084  15.840  -0.085
   90    HA   LYS  10           HA       LYS  10  41.714  18.024   1.691
   91    HB2  LYS  10           HB2      LYS  10  44.035  17.113   1.127
   92    HB3  LYS  10           HB1      LYS  10  43.729  17.622  -0.550
   93    HG2  LYS  10           HG2      LYS  10  43.201  19.946   0.382
   94    HG3  LYS  10           HG1      LYS  10  43.845  19.374   1.938
   95    HD2  LYS  10           HD2      LYS  10  45.377  19.331  -0.702
   96    HD3  LYS  10           HD1      LYS  10  45.566  20.569   0.561
   97    HE2  LYS  10           HE2      LYS  10  46.057  18.568   2.163
   98    HE3  LYS  10           HE1      LYS  10  46.292  17.624   0.672
   99    HZ1  LYS  10           HZ1      LYS  10  47.654  20.035   0.360
  100    HZ2  LYS  10           HZ2      LYS  10  48.312  18.477   0.530
  101    HZ3  LYS  10           HZ3      LYS  10  48.055  19.448   1.900
  102    H    ILE  11           HN       ILE  11  41.119  16.687  -1.492
  103    HA   ILE  11           HA       ILE  11  39.657  19.209  -2.230
  104    HB   ILE  11           HB       ILE  11  41.316  17.613  -4.225
  105   HG12  ILE  11          HG12      ILE  11  42.047  20.162  -2.708
  106   HG13  ILE  11          HG11      ILE  11  42.844  18.579  -2.554
  107   HG21  ILE  11          HG21      ILE  11  39.328  19.094  -4.937
  108   HG22  ILE  11          HG22      ILE  11  40.891  19.453  -5.701
  109   HG23  ILE  11          HG23      ILE  11  40.293  20.480  -4.376
  110   HD11  ILE  11           HD1      ILE  11  43.266  18.763  -5.119
  111   HD12  ILE  11           HD2      ILE  11  44.245  19.787  -4.043
  112   HD13  ILE  11           HD3      ILE  11  42.864  20.486  -4.917
  113    H    ILE  12           HN       ILE  12  40.317  15.771  -2.971
  114    HA   ILE  12           HA       ILE  12  37.704  15.484  -4.319
  115    HB   ILE  12           HB       ILE  12  39.800  13.443  -3.497
  116   HG12  ILE  12          HG12      ILE  12  39.274  14.637  -6.263
  117   HG13  ILE  12          HG11      ILE  12  40.514  15.260  -5.153
  118   HG21  ILE  12          HG21      ILE  12  37.271  13.274  -5.187
  119   HG22  ILE  12          HG22      ILE  12  37.783  12.222  -3.847
  120   HG23  ILE  12          HG23      ILE  12  38.600  12.116  -5.415
  121   HD11  ILE  12           HD1      ILE  12  41.811  13.777  -6.407
  122   HD12  ILE  12           HD2      ILE  12  40.461  12.660  -6.696
  123   HD13  ILE  12           HD3      ILE  12  41.282  12.674  -5.117
  124    H    GLY  13           HN       GLY  13  38.907  12.984  -2.131
  125    HA2  GLY  13           HA1      GLY  13  36.403  12.660  -0.801
  126    HA3  GLY  13           HA2      GLY  13  37.980  12.100  -0.199
  127    H    GLY  14           HN       GLY  14  38.621  15.067  -0.870
  128    HA2  GLY  14           HA1      GLY  14  38.369  16.050   1.892
  129    HA3  GLY  14           HA2      GLY  14  39.183  16.856   0.533
  130    H    ALA  15           HN       ALA  15  37.223  16.994  -1.419
  131    HA   ALA  15           HA       ALA  15  35.396  18.999  -0.147
  132    HB1  ALA  15           HB1      ALA  15  34.766  19.578  -2.405
  133    HB2  ALA  15           HB2      ALA  15  35.568  18.131  -3.057
  134    HB3  ALA  15           HB3      ALA  15  36.539  19.447  -2.347
  135    H    ALA  16           HN       ALA  16  35.311  16.112   0.425
  136    HA   ALA  16           HA       ALA  16  33.614  14.630   0.937
  137    HB1  ALA  16           HB1      ALA  16  31.361  15.240   0.806
  138    HB2  ALA  16           HB2      ALA  16  31.582  16.163  -0.698
  139    HB3  ALA  16           HB3      ALA  16  32.159  16.828   0.848
  140    H    LEU  17           HN       LEU  17  35.426  14.277  -1.189
  141    HA   LEU  17           HA       LEU  17  35.674  12.881  -3.031
  142    HB2  LEU  17           HB2      LEU  17  33.882  11.587  -1.478
  143    HB3  LEU  17           HB1      LEU  17  32.829  11.876  -2.875
  144    HG   LEU  17           HG       LEU  17  35.577  10.539  -3.015
  145   HD11  LEU  17          HD11      LEU  17  33.929   9.169  -1.776
  146   HD12  LEU  17          HD12      LEU  17  34.290   8.454  -3.366
  147   HD13  LEU  17          HD13      LEU  17  32.771   9.348  -3.115
  148   HD21  LEU  17          HD21      LEU  17  34.967  11.618  -5.123
  149   HD22  LEU  17          HD22      LEU  17  33.327  10.929  -5.044
  150   HD23  LEU  17          HD23      LEU  17  34.730   9.865  -5.295
  151    H    ASP  18           HN       ASP  18  35.159  15.474  -3.609
  152    HA   ASP  18           HA       ASP  18  34.327  16.888  -5.255
  153    HB2  ASP  18           HB2      ASP  18  35.599  15.212  -6.626
  154    HB3  ASP  18           HB1      ASP  18  34.080  14.314  -6.859
  155    H    HIS  19           HN       HIS  19  32.416  15.623  -3.368
  156    HA   HIS  19           HA       HIS  19  30.122  15.493  -3.071
  157    HB2  HIS  19           HB2      HIS  19  30.297  17.840  -3.935
  158    HB3  HIS  19           HB1      HIS  19  29.994  17.217  -5.576
  159    HD1  HIS  19           HD1      HIS  19  28.316  16.165  -2.288
  160    HD2  HIS  19           HD2      HIS  19  27.334  17.855  -6.011
  161    HE1  HIS  19           HE1      HIS  19  25.775  16.424  -2.361
  162    H    LEU  20           HN       LEU  20  30.614  13.178  -3.777
  163    HA   LEU  20           HA       LEU  20  30.072  12.199  -6.350
  164    HB2  LEU  20           HB2      LEU  20  30.941  10.745  -4.627
  165    HB3  LEU  20           HB1      LEU  20  29.508  11.000  -3.609
  166    HG   LEU  20           HG       LEU  20  28.096   9.781  -5.162
  167   HD11  LEU  20          HD11      LEU  20  29.260   8.695  -7.217
  168   HD12  LEU  20          HD12      LEU  20  30.537   9.911  -6.973
  169   HD13  LEU  20          HD13      LEU  20  28.869  10.427  -7.321
  170   HD21  LEU  20          HD21      LEU  20  29.558   8.481  -3.576
  171   HD22  LEU  20          HD22      LEU  20  30.739   8.285  -4.892
  172   HD23  LEU  20          HD23      LEU  20  29.115   7.569  -5.038
  Start of MODEL   47
    1    H1   TRP   1           HT1      TRP   1  39.128  23.050  14.655
    2    H2   TRP   1           HT2      TRP   1  37.602  22.315  14.519
    3    H3   TRP   1           HT3      TRP   1  38.178  23.324  13.278
    4    HA   TRP   1           HA       TRP   1  38.300  20.943  12.770
    5    HB2  TRP   1           HB2      TRP   1  41.015  22.293  12.967
    6    HB3  TRP   1           HB1      TRP   1  40.475  21.099  11.763
    7    HD1  TRP   1           HD1      TRP   1  38.627  21.915   9.978
    8    HE1  TRP   1           HE1      TRP   1  38.076  24.266   9.012
    9    HE3  TRP   1           HE3      TRP   1  40.955  24.802  13.507
   10    HZ2  TRP   1           HZ2      TRP   1  38.593  27.012   9.704
   11    HZ3  TRP   1           HZ3      TRP   1  40.913  27.286  13.335
   12    HH2  TRP   1           HH2      TRP   1  39.736  28.392  11.439
   13    H    LEU   2           HN       LEU   2  38.406  19.039  13.745
   14    HA   LEU   2           HA       LEU   2  39.552  18.697  16.351
   15    HB2  LEU   2           HB2      LEU   2  37.766  17.247  15.631
   16    HB3  LEU   2           HB1      LEU   2  38.688  16.724  14.206
   17    HG   LEU   2           HG       LEU   2  40.282  15.523  15.584
   18   HD11  LEU   2          HD11      LEU   2  38.879  16.946  17.879
   19   HD12  LEU   2          HD12      LEU   2  40.614  16.926  17.483
   20   HD13  LEU   2          HD13      LEU   2  39.837  15.470  18.143
   21   HD21  LEU   2          HD21      LEU   2  38.059  14.449  15.113
   22   HD22  LEU   2          HD22      LEU   2  37.483  15.033  16.692
   23   HD23  LEU   2          HD23      LEU   2  38.817  13.857  16.612
   24    H    ARG   3           HN       ARG   3  40.494  16.777  13.523
   25    HA   ARG   3           HA       ARG   3  43.276  17.615  13.584
   26    HB2  ARG   3           HB2      ARG   3  43.121  16.153  15.652
   27    HB3  ARG   3           HB1      ARG   3  42.683  14.800  14.582
   28    HG2  ARG   3           HG2      ARG   3  44.795  14.996  13.378
   29    HG3  ARG   3           HG1      ARG   3  45.223  16.463  14.291
   30    HD2  ARG   3           HD2      ARG   3  46.372  14.464  15.210
   31    HD3  ARG   3           HD1      ARG   3  45.242  15.165  16.394
   32    HE   ARG   3           HE       ARG   3  43.864  13.154  14.898
   33   HH11  ARG   3          HH11      ARG   3  43.100  12.284  17.173
   34   HH12  ARG   3          HH12      ARG   3  44.315  11.298  17.916
   35   HH21  ARG   3          HH21      ARG   3  46.868  12.428  15.860
   36   HH22  ARG   3          HH22      ARG   3  46.448  11.379  17.173
   37    H    ARG   4           HN       ARG   4  40.561  15.873  12.515
   38    HA   ARG   4           HA       ARG   4  41.801  15.457   9.855
   39    HB2  ARG   4           HB2      ARG   4  40.479  13.189  11.408
   40    HB3  ARG   4           HB1      ARG   4  41.043  13.118   9.722
   41    HG2  ARG   4           HG2      ARG   4  43.363  13.745  10.599
   42    HG3  ARG   4           HG1      ARG   4  42.725  13.463  12.237
   43    HD2  ARG   4           HD2      ARG   4  42.679  11.415   9.978
   44    HD3  ARG   4           HD1      ARG   4  43.870  11.446  11.302
   45    HE   ARG   4           HE       ARG   4  41.375  11.434  12.569
   46   HH11  ARG   4          HH11      ARG   4  40.393   9.507  13.218
   47   HH12  ARG   4          HH12      ARG   4  40.811   8.026  12.423
   48   HH21  ARG   4          HH21      ARG   4  43.075   9.517  10.261
   49   HH22  ARG   4          HH22      ARG   4  42.329   8.032  10.749
   50    H    ILE   5           HN       ILE   5  39.401  16.534  11.843
   51    HA   ILE   5           HA       ILE   5  37.250  17.285  11.454
   52    HB   ILE   5           HB       ILE   5  37.679  16.730   8.489
   53   HG12  ILE   5          HG12      ILE   5  38.584  19.108  10.176
   54   HG13  ILE   5          HG11      ILE   5  39.637  17.957   9.323
   55   HG21  ILE   5          HG21      ILE   5  35.392  17.426   9.455
   56   HG22  ILE   5          HG22      ILE   5  36.052  18.455   8.163
   57   HG23  ILE   5          HG23      ILE   5  36.157  18.981   9.861
   58   HD11  ILE   5           HD1      ILE   5  39.527  19.825   7.863
   59   HD12  ILE   5           HD2      ILE   5  37.786  20.056   8.145
   60   HD13  ILE   5           HD3      ILE   5  38.357  18.677   7.173
   61    H    GLY   6           HN       GLY   6  37.458  14.947   8.741
   62    HA2  GLY   6           HA1      GLY   6  35.829  12.986  10.216
   63    HA3  GLY   6           HA2      GLY   6  34.997  13.800   8.875
   64    H    LYS   7           HN       LYS   7  38.455  13.145   8.892
   65    HA   LYS   7           HA       LYS   7  39.749  11.822   7.503
   66    HB2  LYS   7           HB2      LYS   7  38.470  10.025   8.773
   67    HB3  LYS   7           HB1      LYS   7  37.369   9.935   7.377
   68    HG2  LYS   7           HG2      LYS   7  39.295   9.435   5.892
   69    HG3  LYS   7           HG1      LYS   7  40.389   9.508   7.295
   70    HD2  LYS   7           HD2      LYS   7  39.209   7.634   8.356
   71    HD3  LYS   7           HD1      LYS   7  38.033   7.590   7.020
   72    HE2  LYS   7           HE2      LYS   7  39.860   7.080   5.425
   73    HE3  LYS   7           HE1      LYS   7  41.037   7.122   6.760
   74    HZ1  LYS   7           HZ1      LYS   7  38.735   5.251   6.492
   75    HZ2  LYS   7           HZ2      LYS   7  39.779   5.323   7.829
   76    HZ3  LYS   7           HZ3      LYS   7  40.375   4.862   6.307
   77    H    GLY   8           HN       GLY   8  40.244  12.445   5.519
   78    HA2  GLY   8           HA1      GLY   8  38.448  11.870   3.288
   79    HA3  GLY   8           HA2      GLY   8  38.579  13.605   3.646
   80    H    VAL   9           HN       VAL   9  39.916  14.571   2.287
   81    HA   VAL   9           HA       VAL   9  42.645  13.447   1.932
   82    HB   VAL   9           HB       VAL   9  40.815  14.040  -0.445
   83   HG11  VAL   9          HG11      VAL   9  42.853  13.214  -1.736
   84   HG12  VAL   9          HG12      VAL   9  43.773  13.334  -0.216
   85   HG13  VAL   9          HG13      VAL   9  43.064  14.793  -0.948
   86   HG21  VAL   9          HG21      VAL   9  42.025  11.486   0.695
   87   HG22  VAL   9          HG22      VAL   9  41.358  11.592  -0.951
   88   HG23  VAL   9          HG23      VAL   9  40.302  11.860   0.454
   89    H    LYS  10           HN       LYS  10  41.045  15.791  -0.199
   90    HA   LYS  10           HA       LYS  10  41.809  18.125   1.314
   91    HB2  LYS  10           HB2      LYS  10  44.078  17.198   0.575
   92    HB3  LYS  10           HB1      LYS  10  43.586  17.576  -1.093
   93    HG2  LYS  10           HG2      LYS  10  43.090  19.961  -0.246
   94    HG3  LYS  10           HG1      LYS  10  43.964  19.502   1.234
   95    HD2  LYS  10           HD2      LYS  10  45.100  19.352  -1.595
   96    HD3  LYS  10           HD1      LYS  10  45.451  20.637  -0.416
   97    HE2  LYS  10           HE2      LYS  10  46.208  18.717   1.167
   98    HE3  LYS  10           HE1      LYS  10  46.218  17.700  -0.295
   99    HZ1  LYS  10           HZ1      LYS  10  48.287  19.185   0.500
  100    HZ2  LYS  10           HZ2      LYS  10  47.524  20.284  -0.546
  101    HZ3  LYS  10           HZ3      LYS  10  48.005  18.759  -1.117
  102    H    ILE  11           HN       ILE  11  41.024  16.560  -1.746
  103    HA   ILE  11           HA       ILE  11  39.439  19.006  -2.526
  104    HB   ILE  11           HB       ILE  11  40.825  17.159  -4.515
  105   HG12  ILE  11          HG12      ILE  11  41.784  19.820  -3.366
  106   HG13  ILE  11          HG11      ILE  11  42.563  18.237  -3.148
  107   HG21  ILE  11          HG21      ILE  11  40.265  18.846  -6.121
  108   HG22  ILE  11          HG22      ILE  11  39.855  20.027  -4.853
  109   HG23  ILE  11          HG23      ILE  11  38.798  18.626  -5.142
  110   HD11  ILE  11           HD1      ILE  11  42.673  18.154  -5.751
  111   HD12  ILE  11           HD2      ILE  11  43.797  19.245  -4.908
  112   HD13  ILE  11           HD3      ILE  11  42.333  19.901  -5.678
  113    H    ILE  12           HN       ILE  12  39.974  15.508  -3.092
  114    HA   ILE  12           HA       ILE  12  37.268  15.121  -4.115
  115    HB   ILE  12           HB       ILE  12  39.350  13.161  -3.091
  116   HG12  ILE  12          HG12      ILE  12  38.726  13.636  -6.035
  117   HG13  ILE  12          HG11      ILE  12  39.819  14.749  -5.184
  118   HG21  ILE  12          HG21      ILE  12  37.405  11.842  -3.126
  119   HG22  ILE  12          HG22      ILE  12  37.926  11.639  -4.809
  120   HG23  ILE  12          HG23      ILE  12  36.643  12.803  -4.414
  121   HD11  ILE  12           HD1      ILE  12  40.168  11.726  -5.448
  122   HD12  ILE  12           HD2      ILE  12  41.220  12.790  -4.486
  123   HD13  ILE  12           HD3      ILE  12  41.133  12.985  -6.251
  124    H    GLY  13           HN       GLY  13  38.467  12.893  -1.665
  125    HA2  GLY  13           HA1      GLY  13  36.046  12.844  -0.180
  126    HA3  GLY  13           HA2      GLY  13  37.643  12.357   0.435
  127    H    GLY  14           HN       GLY  14  38.325  15.167  -0.670
  128    HA2  GLY  14           HA1      GLY  14  38.181  16.545   1.924
  129    HA3  GLY  14           HA2      GLY  14  38.941  17.139   0.431
  130    H    ALA  15           HN       ALA  15  36.892  17.012  -1.430
  131    HA   ALA  15           HA       ALA  15  35.113  19.186  -0.369
  132    HB1  ALA  15           HB1      ALA  15  36.222  19.379  -2.627
  133    HB2  ALA  15           HB2      ALA  15  34.450  19.515  -2.665
  134    HB3  ALA  15           HB3      ALA  15  35.233  18.000  -3.168
  135    H    ALA  16           HN       ALA  16  35.017  16.423   0.569
  136    HA   ALA  16           HA       ALA  16  33.330  15.003   1.259
  137    HB1  ALA  16           HB1      ALA  16  31.074  15.597   1.076
  138    HB2  ALA  16           HB2      ALA  16  31.287  16.346  -0.524
  139    HB3  ALA  16           HB3      ALA  16  31.879  17.176   0.934
  140    H    LEU  17           HN       LEU  17  35.115  14.392  -0.831
  141    HA   LEU  17           HA       LEU  17  35.332  12.711  -2.423
  142    HB2  LEU  17           HB2      LEU  17  33.319  11.774  -0.849
  143    HB3  LEU  17           HB1      LEU  17  32.424  11.924  -2.375
  144    HG   LEU  17           HG       LEU  17  35.053  10.404  -2.017
  145   HD11  LEU  17          HD11      LEU  17  33.177   9.301  -0.863
  146   HD12  LEU  17          HD12      LEU  17  33.619   8.392  -2.329
  147   HD13  LEU  17          HD13      LEU  17  32.177   9.436  -2.329
  148   HD21  LEU  17          HD21      LEU  17  33.114  10.649  -4.363
  149   HD22  LEU  17          HD22      LEU  17  34.496   9.531  -4.296
  150   HD23  LEU  17          HD23      LEU  17  34.773  11.288  -4.296
  151    H    ASP  18           HN       ASP  18  34.801  15.386  -3.165
  152    HA   ASP  18           HA       ASP  18  34.086  16.666  -4.972
  153    HB2  ASP  18           HB2      ASP  18  35.689  15.050  -6.040
  154    HB3  ASP  18           HB1      ASP  18  34.298  14.024  -6.466
  155    H    HIS  19           HN       HIS  19  31.951  16.021  -3.419
  156    HA   HIS  19           HA       HIS  19  29.643  15.772  -3.459
  157    HB2  HIS  19           HB2      HIS  19  30.112  16.669  -6.328
  158    HB3  HIS  19           HB1      HIS  19  28.510  16.566  -5.559
  159    HD1  HIS  19           HD1      HIS  19  29.112  17.660  -2.755
  160    HD2  HIS  19           HD2      HIS  19  30.631  19.393  -6.274
  161    HE1  HIS  19           HE1      HIS  19  29.663  20.098  -2.226
  162    H    LEU  20           HN       LEU  20  30.556  13.375  -3.355
  163    HA   LEU  20           HA       LEU  20  30.225  11.158  -3.957
  164    HB2  LEU  20           HB2      LEU  20  27.718  12.501  -5.022
  165    HB3  LEU  20           HB1      LEU  20  27.965  10.747  -5.187
  166    HG   LEU  20           HG       LEU  20  28.180  10.501  -2.764
  167   HD11  LEU  20          HD11      LEU  20  28.043  13.541  -2.807
  168   HD12  LEU  20          HD12      LEU  20  29.274  12.496  -2.056
  169   HD13  LEU  20          HD13      LEU  20  27.649  12.607  -1.344
  170   HD21  LEU  20          HD21      LEU  20  25.896  11.016  -2.138
  171   HD22  LEU  20          HD22      LEU  20  25.894  10.604  -3.871
  172   HD23  LEU  20          HD23      LEU  20  25.796  12.307  -3.361
  Start of MODEL   48
    1    H1   TRP   1           HT1      TRP   1  39.861   3.037   9.655
    2    H2   TRP   1           HT2      TRP   1  39.373   3.454   8.082
    3    H3   TRP   1           HT3      TRP   1  39.573   4.661   9.262
    4    HA   TRP   1           HA       TRP   1  41.841   2.951   8.636
    5    HB2  TRP   1           HB2      TRP   1  40.943   5.296   6.913
    6    HB3  TRP   1           HB1      TRP   1  42.465   4.386   6.745
    7    HD1  TRP   1           HD1      TRP   1  42.073   1.625   6.351
    8    HE1  TRP   1           HE1      TRP   1  40.355   0.446   4.794
    9    HE3  TRP   1           HE3      TRP   1  38.713   5.451   5.812
   10    HZ2  TRP   1           HZ2      TRP   1  37.867   1.107   3.505
   11    HZ3  TRP   1           HZ3      TRP   1  36.674   5.154   4.413
   12    HH2  TRP   1           HH2      TRP   1  36.249   2.988   3.260
   13    H    LEU   2           HN       LEU   2  43.826   4.408   8.611
   14    HA   LEU   2           HA       LEU   2  43.770   5.991  11.061
   15    HB2  LEU   2           HB2      LEU   2  46.027   5.905   9.028
   16    HB3  LEU   2           HB1      LEU   2  46.125   6.172  10.786
   17    HG   LEU   2           HG       LEU   2  45.285   3.580   9.407
   18   HD11  LEU   2          HD11      LEU   2  47.397   2.709  10.341
   19   HD12  LEU   2          HD12      LEU   2  47.760   4.306  11.038
   20   HD13  LEU   2          HD13      LEU   2  47.713   4.095   9.271
   21   HD21  LEU   2          HD21      LEU   2  44.070   3.694  11.466
   22   HD22  LEU   2          HD22      LEU   2  45.440   4.432  12.329
   23   HD23  LEU   2          HD23      LEU   2  45.510   2.722  11.840
   24    H    ARG   3           HN       ARG   3  42.901   6.619   7.884
   25    HA   ARG   3           HA       ARG   3  42.326   8.565   6.790
   26    HB2  ARG   3           HB2      ARG   3  42.960  10.114   9.324
   27    HB3  ARG   3           HB1      ARG   3  41.846  10.553   8.010
   28    HG2  ARG   3           HG2      ARG   3  40.528   8.434   8.577
   29    HG3  ARG   3           HG1      ARG   3  41.524   8.311  10.045
   30    HD2  ARG   3           HD2      ARG   3  39.738  10.653   9.261
   31    HD3  ARG   3           HD1      ARG   3  39.447   9.492  10.577
   32    HE   ARG   3           HE       ARG   3  41.038  11.828  10.828
   33   HH11  ARG   3          HH11      ARG   3  43.487  11.003  11.182
   34   HH12  ARG   3          HH12      ARG   3  43.586  10.015  12.601
   35   HH21  ARG   3          HH21      ARG   3  40.171   9.441  12.762
   36   HH22  ARG   3          HH22      ARG   3  41.709   9.130  13.495
   37    H    ARG   4           HN       ARG   4  45.378   8.388   8.495
   38    HA   ARG   4           HA       ARG   4  46.550  10.623   6.941
   39    HB2  ARG   4           HB2      ARG   4  47.203  10.262   9.302
   40    HB3  ARG   4           HB1      ARG   4  47.811   8.643   8.882
   41    HG2  ARG   4           HG2      ARG   4  49.505   9.568   7.428
   42    HG3  ARG   4           HG1      ARG   4  48.799  11.198   7.550
   43    HD2  ARG   4           HD2      ARG   4  50.860  10.747   9.016
   44    HD3  ARG   4           HD1      ARG   4  49.433  11.407   9.851
   45    HE   ARG   4           HE       ARG   4  49.289   8.562   9.968
   46   HH11  ARG   4          HH11      ARG   4  52.003  10.429  10.592
   47   HH12  ARG   4          HH12      ARG   4  52.144   9.985  12.261
   48   HH21  ARG   4          HH21      ARG   4  49.110   8.309  12.347
   49   HH22  ARG   4          HH22      ARG   4  50.507   8.785  13.253
   50    H    ILE   5           HN       ILE   5  46.669   7.064   7.146
   51    HA   ILE   5           HA       ILE   5  48.800   6.605   5.358
   52    HB   ILE   5           HB       ILE   5  47.765   4.774   6.623
   53   HG12  ILE   5          HG12      ILE   5  47.587   3.074   4.879
   54   HG13  ILE   5          HG11      ILE   5  47.254   4.302   3.643
   55   HG21  ILE   5          HG21      ILE   5  45.343   5.144   4.813
   56   HG22  ILE   5          HG22      ILE   5  45.438   5.721   6.494
   57   HG23  ILE   5          HG23      ILE   5  45.518   3.977   6.145
   58   HD11  ILE   5           HD1      ILE   5  49.481   5.109   3.670
   59   HD12  ILE   5           HD2      ILE   5  49.690   3.353   3.850
   60   HD13  ILE   5           HD3      ILE   5  49.816   4.413   5.274
   61    H    GLY   6           HN       GLY   6  45.398   7.398   4.745
   62    HA2  GLY   6           HA1      GLY   6  45.547   6.918   1.892
   63    HA3  GLY   6           HA2      GLY   6  44.274   7.803   2.756
   64    H    LYS   7           HN       LYS   7  45.219   9.976   3.755
   65    HA   LYS   7           HA       LYS   7  45.766  12.150   3.126
   66    HB2  LYS   7           HB2      LYS   7  48.015  11.097   3.610
   67    HB3  LYS   7           HB1      LYS   7  48.192  10.823   1.860
   68    HG2  LYS   7           HG2      LYS   7  47.917  13.256   1.453
   69    HG3  LYS   7           HG1      LYS   7  47.758  13.526   3.206
   70    HD2  LYS   7           HD2      LYS   7  50.023  12.608   3.566
   71    HD3  LYS   7           HD1      LYS   7  50.185  12.305   1.818
   72    HE2  LYS   7           HE2      LYS   7  51.303  14.409   2.355
   73    HE3  LYS   7           HE1      LYS   7  49.833  14.764   1.415
   74    HZ1  LYS   7           HZ1      LYS   7  49.989  16.230   3.308
   75    HZ2  LYS   7           HZ2      LYS   7  50.116  14.915   4.377
   76    HZ3  LYS   7           HZ3      LYS   7  48.673  15.181   3.521
   77    H    GLY   8           HN       GLY   8  43.977  12.313   1.636
   78    HA2  GLY   8           HA1      GLY   8  44.843  13.165  -0.978
   79    HA3  GLY   8           HA2      GLY   8  44.040  11.586  -1.078
   80    H    VAL   9           HN       VAL   9  42.507  12.612   1.468
   81    HA   VAL   9           HA       VAL   9  40.189  13.522  -0.059
   82    HB   VAL   9           HB       VAL   9  39.094  13.699   2.165
   83   HG11  VAL   9          HG11      VAL   9  40.745  11.150   1.896
   84   HG12  VAL   9          HG12      VAL   9  39.303  11.513   0.916
   85   HG13  VAL   9          HG13      VAL   9  39.155  11.320   2.680
   86   HG21  VAL   9          HG21      VAL   9  40.441  12.890   4.155
   87   HG22  VAL   9          HG22      VAL   9  40.954  14.473   3.523
   88   HG23  VAL   9          HG23      VAL   9  41.900  13.014   3.144
   89    H    LYS  10           HN       LYS  10  42.785  15.179   0.198
   90    HA   LYS  10           HA       LYS  10  42.001  17.556   1.679
   91    HB2  LYS  10           HB2      LYS  10  44.372  16.777   1.068
   92    HB3  LYS  10           HB1      LYS  10  44.043  17.394  -0.568
   93    HG2  LYS  10           HG2      LYS  10  43.383  19.615   0.582
   94    HG3  LYS  10           HG1      LYS  10  44.141  18.950   2.047
   95    HD2  LYS  10           HD2      LYS  10  45.482  19.356  -0.663
   96    HD3  LYS  10           HD1      LYS  10  45.769  20.313   0.809
   97    HE2  LYS  10           HE2      LYS  10  46.501  17.417   0.264
   98    HE3  LYS  10           HE1      LYS  10  47.559  18.753   0.770
   99    HZ1  LYS  10           HZ1      LYS  10  45.451  17.423   2.396
  100    HZ2  LYS  10           HZ2      LYS  10  46.285  18.822   2.879
  101    HZ3  LYS  10           HZ3      LYS  10  47.127  17.366   2.647
  102    H    ILE  11           HN       ILE  11  41.360  16.257  -1.467
  103    HA   ILE  11           HA       ILE  11  39.959  18.815  -2.243
  104    HB   ILE  11           HB       ILE  11  41.338  16.931  -4.188
  105   HG12  ILE  11          HG12      ILE  11  42.382  19.504  -2.916
  106   HG13  ILE  11          HG11      ILE  11  43.064  17.872  -2.722
  107   HG21  ILE  11          HG21      ILE  11  40.553  19.859  -4.522
  108   HG22  ILE  11          HG22      ILE  11  39.440  18.526  -4.909
  109   HG23  ILE  11          HG23      ILE  11  40.975  18.685  -5.791
  110   HD11  ILE  11           HD1      ILE  11  44.438  18.880  -4.376
  111   HD12  ILE  11           HD2      ILE  11  43.052  19.638  -5.193
  112   HD13  ILE  11           HD3      ILE  11  43.306  17.879  -5.316
  113    H    ILE  12           HN       ILE  12  40.227  15.287  -2.440
  114    HA   ILE  12           HA       ILE  12  37.738  14.956  -3.933
  115    HB   ILE  12           HB       ILE  12  39.372  13.047  -2.235
  116   HG12  ILE  12          HG12      ILE  12  39.314  13.300  -5.280
  117   HG13  ILE  12          HG11      ILE  12  40.501  14.152  -4.269
  118   HG21  ILE  12          HG21      ILE  12  37.167  12.103  -2.511
  119   HG22  ILE  12          HG22      ILE  12  38.182  11.299  -3.722
  120   HG23  ILE  12          HG23      ILE  12  37.088  12.612  -4.212
  121   HD11  ILE  12           HD1      ILE  12  41.686  12.205  -4.828
  122   HD12  ILE  12           HD2      ILE  12  40.235  11.182  -4.809
  123   HD13  ILE  12           HD3      ILE  12  40.964  11.721  -3.278
  124    H    GLY  13           HN       GLY  13  38.386  13.252  -0.890
  125    HA2  GLY  13           HA1      GLY  13  35.705  13.605   0.078
  126    HA3  GLY  13           HA2      GLY  13  37.113  13.090   1.036
  127    H    GLY  14           HN       GLY  14  38.199  15.622  -0.520
  128    HA2  GLY  14           HA1      GLY  14  37.881  17.461   1.782
  129    HA3  GLY  14           HA2      GLY  14  38.900  17.699   0.344
  130    H    ALA  15           HN       ALA  15  37.061  17.308  -1.713
  131    HA   ALA  15           HA       ALA  15  35.486  19.838  -1.449
  132    HB1  ALA  15           HB1      ALA  15  35.822  17.940  -3.808
  133    HB2  ALA  15           HB2      ALA  15  36.795  19.404  -3.518
  134    HB3  ALA  15           HB3      ALA  15  35.053  19.542  -3.842
  135    H    ALA  16           HN       ALA  16  34.953  17.390   0.087
  136    HA   ALA  16           HA       ALA  16  33.029  16.396   0.895
  137    HB1  ALA  16           HB1      ALA  16  31.907  18.543  -0.142
  138    HB2  ALA  16           HB2      ALA  16  30.898  17.141   0.289
  139    HB3  ALA  16           HB3      ALA  16  31.355  17.420  -1.407
  140    H    LEU  17           HN       LEU  17  34.942  15.161  -0.865
  141    HA   LEU  17           HA       LEU  17  35.116  13.239  -2.172
  142    HB2  LEU  17           HB2      LEU  17  33.408  12.649  -0.139
  143    HB3  LEU  17           HB1      LEU  17  32.318  12.339  -1.505
  144    HG   LEU  17           HG       LEU  17  35.099  11.112  -1.166
  145   HD11  LEU  17          HD11      LEU  17  33.365  10.346   0.499
  146   HD12  LEU  17          HD12      LEU  17  33.931   9.057  -0.591
  147   HD13  LEU  17          HD13      LEU  17  32.350   9.827  -0.867
  148   HD21  LEU  17          HD21      LEU  17  34.303   9.619  -3.020
  149   HD22  LEU  17          HD22      LEU  17  34.444  11.320  -3.523
  150   HD23  LEU  17          HD23      LEU  17  32.844  10.626  -3.166
  151    H    ASP  18           HN       ASP  18  34.360  15.524  -3.554
  152    HA   ASP  18           HA       ASP  18  33.381  16.217  -5.543
  153    HB2  ASP  18           HB2      ASP  18  34.806  14.311  -6.326
  154    HB3  ASP  18           HB1      ASP  18  33.393  13.239  -6.171
  155    H    HIS  19           HN       HIS  19  31.562  15.865  -3.398
  156    HA   HIS  19           HA       HIS  19  29.288  15.629  -2.984
  157    HB2  HIS  19           HB2      HIS  19  28.992  16.010  -5.986
  158    HB3  HIS  19           HB1      HIS  19  27.815  16.421  -4.715
  159    HD1  HIS  19           HD1      HIS  19  29.702  17.794  -2.671
  160    HD2  HIS  19           HD2      HIS  19  29.826  18.532  -6.810
  161    HE1  HIS  19           HE1      HIS  19  30.739  20.105  -3.002
  162    H    LEU  20           HN       LEU  20  30.582  13.199  -3.162
  163    HA   LEU  20           HA       LEU  20  30.222  10.947  -3.567
  164    HB2  LEU  20           HB2      LEU  20  28.320  11.290  -2.125
  165    HB3  LEU  20           HB1      LEU  20  27.368  11.997  -3.447
  166    HG   LEU  20           HG       LEU  20  27.219   9.863  -4.587
  167   HD11  LEU  20          HD11      LEU  20  29.373   8.879  -4.301
  168   HD12  LEU  20          HD12      LEU  20  28.276   7.804  -3.406
  169   HD13  LEU  20          HD13      LEU  20  29.280   8.983  -2.527
  170   HD21  LEU  20          HD21      LEU  20  26.843   9.326  -1.610
  171   HD22  LEU  20          HD22      LEU  20  25.955   8.583  -2.964
  172   HD23  LEU  20          HD23      LEU  20  25.724  10.306  -2.587
  Start of MODEL   49
    1    H1   TRP   1           HT1      TRP   1  35.173  14.742  17.794
    2    H2   TRP   1           HT2      TRP   1  36.659  14.418  18.552
    3    H3   TRP   1           HT3      TRP   1  35.997  13.300  17.457
    4    HA   TRP   1           HA       TRP   1  36.292  15.887  16.323
    5    HB2  TRP   1           HB2      TRP   1  38.839  14.406  17.061
    6    HB3  TRP   1           HB1      TRP   1  38.682  15.999  16.281
    7    HD1  TRP   1           HD1      TRP   1  38.685  14.295  19.642
    8    HE1  TRP   1           HE1      TRP   1  38.462  16.047  21.549
    9    HE3  TRP   1           HE3      TRP   1  37.550  18.416  16.823
   10    HZ2  TRP   1           HZ2      TRP   1  37.869  18.855  21.785
   11    HZ3  TRP   1           HZ3      TRP   1  37.160  20.621  17.913
   12    HH2  TRP   1           HH2      TRP   1  37.318  20.844  20.388
   13    H    LEU   2           HN       LEU   2  35.195  14.995  14.614
   14    HA   LEU   2           HA       LEU   2  34.908  13.704  12.706
   15    HB2  LEU   2           HB2      LEU   2  37.927  13.854  12.930
   16    HB3  LEU   2           HB1      LEU   2  37.144  13.020  11.575
   17    HG   LEU   2           HG       LEU   2  37.799  15.475  11.194
   18   HD11  LEU   2          HD11      LEU   2  35.951  15.898   9.773
   19   HD12  LEU   2          HD12      LEU   2  34.809  15.044  10.829
   20   HD13  LEU   2          HD13      LEU   2  36.007  14.127   9.889
   21   HD21  LEU   2          HD21      LEU   2  35.324  16.038  12.888
   22   HD22  LEU   2          HD22      LEU   2  36.421  17.216  12.131
   23   HD23  LEU   2          HD23      LEU   2  36.991  16.215  13.485
   24    H    ARG   3           HN       ARG   3  37.859  12.028  13.554
   25    HA   ARG   3           HA       ARG   3  36.687   9.804  14.944
   26    HB2  ARG   3           HB2      ARG   3  35.660   9.456  12.646
   27    HB3  ARG   3           HB1      ARG   3  37.311   9.253  12.014
   28    HG2  ARG   3           HG2      ARG   3  37.697   7.349  13.488
   29    HG3  ARG   3           HG1      ARG   3  36.121   7.596  14.279
   30    HD2  ARG   3           HD2      ARG   3  34.963   7.154  12.143
   31    HD3  ARG   3           HD1      ARG   3  36.531   6.937  11.329
   32    HE   ARG   3           HE       ARG   3  36.203   5.168  13.629
   33   HH11  ARG   3          HH11      ARG   3  34.938   5.686  10.490
   34   HH12  ARG   3          HH12      ARG   3  35.027   4.020  10.023
   35   HH21  ARG   3          HH21      ARG   3  36.574   3.005  12.955
   36   HH22  ARG   3          HH22      ARG   3  35.953   2.501  11.418
   37    H    ARG   4           HN       ARG   4  39.104  11.361  13.035
   38    HA   ARG   4           HA       ARG   4  41.259  10.522  14.713
   39    HB2  ARG   4           HB2      ARG   4  42.514   9.158  13.003
   40    HB3  ARG   4           HB1      ARG   4  41.079   8.340  13.667
   41    HG2  ARG   4           HG2      ARG   4  39.761   9.070  11.686
   42    HG3  ARG   4           HG1      ARG   4  41.219   9.841  11.015
   43    HD2  ARG   4           HD2      ARG   4  40.857   6.873  11.627
   44    HD3  ARG   4           HD1      ARG   4  40.940   7.620  10.012
   45    HE   ARG   4           HE       ARG   4  43.303   8.324  11.458
   46   HH11  ARG   4          HH11      ARG   4  43.632   7.318   8.774
   47   HH12  ARG   4          HH12      ARG   4  44.233   5.709   8.991
   48   HH21  ARG   4          HH21      ARG   4  43.247   5.504  12.309
   49   HH22  ARG   4          HH22      ARG   4  44.015   4.681  10.991
   50    H    ILE   5           HN       ILE   5  39.755  12.476  12.610
   51    HA   ILE   5           HA       ILE   5  40.408  14.277  11.296
   52    HB   ILE   5           HB       ILE   5  42.970  14.294  12.947
   53   HG12  ILE   5          HG12      ILE   5  40.178  15.281  13.697
   54   HG13  ILE   5          HG11      ILE   5  41.061  13.944  14.469
   55   HG21  ILE   5          HG21      ILE   5  41.253  16.610  11.962
   56   HG22  ILE   5          HG22      ILE   5  42.567  15.916  10.984
   57   HG23  ILE   5          HG23      ILE   5  42.930  16.658  12.557
   58   HD11  ILE   5           HD1      ILE   5  41.447  15.794  15.906
   59   HD12  ILE   5           HD2      ILE   5  41.681  16.916  14.545
   60   HD13  ILE   5           HD3      ILE   5  42.929  15.702  14.926
   61    H    GLY   6           HN       GLY   6  40.629  12.724   9.486
   62    HA2  GLY   6           HA1      GLY   6  42.844  13.251   7.889
   63    HA3  GLY   6           HA2      GLY   6  43.281  11.775   8.774
   64    H    LYS   7           HN       LYS   7  39.917  12.138   8.318
   65    HA   LYS   7           HA       LYS   7  39.770   9.779   6.675
   66    HB2  LYS   7           HB2      LYS   7  37.980  10.595   8.245
   67    HB3  LYS   7           HB1      LYS   7  37.630  11.900   7.086
   68    HG2  LYS   7           HG2      LYS   7  37.066  10.285   5.350
   69    HG3  LYS   7           HG1      LYS   7  37.571   8.932   6.391
   70    HD2  LYS   7           HD2      LYS   7  35.790   9.465   8.000
   71    HD3  LYS   7           HD1      LYS   7  35.310  10.879   7.030
   72    HE2  LYS   7           HE2      LYS   7  35.336   8.033   5.942
   73    HE3  LYS   7           HE1      LYS   7  33.895   8.797   6.656
   74    HZ1  LYS   7           HZ1      LYS   7  34.323   8.950   4.113
   75    HZ2  LYS   7           HZ2      LYS   7  35.390  10.202   4.539
   76    HZ3  LYS   7           HZ3      LYS   7  33.745  10.307   4.950
   77    H    GLY   8           HN       GLY   8  38.641  13.101   5.878
   78    HA2  GLY   8           HA1      GLY   8  38.569  12.552   3.056
   79    HA3  GLY   8           HA2      GLY   8  38.476  14.150   3.822
   80    H    VAL   9           HN       VAL   9  39.904  13.187   1.378
   81    HA   VAL   9           HA       VAL   9  42.732  13.155   2.007
   82    HB   VAL   9           HB       VAL   9  41.325  13.820  -0.620
   83   HG11  VAL   9          HG11      VAL   9  43.595  14.631  -0.710
   84   HG12  VAL   9          HG12      VAL   9  43.583  13.063  -1.552
   85   HG13  VAL   9          HG13      VAL   9  44.213  13.179   0.110
   86   HG21  VAL   9          HG21      VAL   9  41.763  11.468  -1.174
   87   HG22  VAL   9          HG22      VAL   9  40.809  11.558   0.327
   88   HG23  VAL   9          HG23      VAL   9  42.554  11.219   0.402
   89    H    LYS  10           HN       LYS  10  41.306  15.569  -0.198
   90    HA   LYS  10           HA       LYS  10  41.837  17.826   1.525
   91    HB2  LYS  10           HB2      LYS  10  44.194  17.061   0.995
   92    HB3  LYS  10           HB1      LYS  10  43.857  17.430  -0.714
   93    HG2  LYS  10           HG2      LYS  10  43.332  19.772  -0.116
   94    HG3  LYS  10           HG1      LYS  10  43.649  19.410   1.598
   95    HD2  LYS  10           HD2      LYS  10  45.980  18.854   1.090
   96    HD3  LYS  10           HD1      LYS  10  45.685  19.086  -0.650
   97    HE2  LYS  10           HE2      LYS  10  45.414  21.233   1.500
   98    HE3  LYS  10           HE1      LYS  10  46.756  21.088   0.340
   99    HZ1  LYS  10           HZ1      LYS  10  43.898  21.653  -0.245
  100    HZ2  LYS  10           HZ2      LYS  10  45.020  21.225  -1.446
  101    HZ3  LYS  10           HZ3      LYS  10  45.237  22.649  -0.545
  102    H    ILE  11           HN       ILE  11  41.197  16.388  -1.600
  103    HA   ILE  11           HA       ILE  11  39.744  18.906  -2.403
  104    HB   ILE  11           HB       ILE  11  41.213  17.105  -4.373
  105   HG12  ILE  11          HG12      ILE  11  42.138  19.694  -3.044
  106   HG13  ILE  11          HG11      ILE  11  42.894  18.092  -2.888
  107   HG21  ILE  11          HG21      ILE  11  39.250  18.625  -5.071
  108   HG22  ILE  11          HG22      ILE  11  40.780  18.866  -5.943
  109   HG23  ILE  11          HG23      ILE  11  40.301  19.999  -4.657
  110   HD11  ILE  11           HD1      ILE  11  42.804  19.913  -5.315
  111   HD12  ILE  11           HD2      ILE  11  43.132  18.170  -5.482
  112   HD13  ILE  11           HD3      ILE  11  44.221  19.195  -4.518
  113    H    ILE  12           HN       ILE  12  40.221  15.413  -3.095
  114    HA   ILE  12           HA       ILE  12  37.490  15.201  -4.184
  115    HB   ILE  12           HB       ILE  12  39.530  13.071  -3.452
  116   HG12  ILE  12          HG12      ILE  12  40.514  14.567  -5.086
  117   HG13  ILE  12          HG11      ILE  12  40.066  13.066  -5.921
  118   HG21  ILE  12          HG21      ILE  12  36.840  12.996  -4.841
  119   HG22  ILE  12          HG22      ILE  12  37.573  11.824  -3.727
  120   HG23  ILE  12          HG23      ILE  12  38.105  11.885  -5.419
  121   HD11  ILE  12           HD1      ILE  12  37.821  14.333  -6.468
  122   HD12  ILE  12           HD2      ILE  12  39.282  14.735  -7.393
  123   HD13  ILE  12           HD3      ILE  12  38.751  15.795  -6.069
  124    H    GLY  13           HN       GLY  13  38.676  12.647  -2.070
  125    HA2  GLY  13           HA1      GLY  13  36.280  12.498  -0.555
  126    HA3  GLY  13           HA2      GLY  13  37.862  11.870  -0.041
  127    H    GLY  14           HN       GLY  14  38.604  14.794  -0.788
  128    HA2  GLY  14           HA1      GLY  14  38.558  15.824   1.967
  129    HA3  GLY  14           HA2      GLY  14  39.331  16.572   0.550
  130    H    ALA  15           HN       ALA  15  37.286  16.792  -1.292
  131    HA   ALA  15           HA       ALA  15  35.581  18.851   0.083
  132    HB1  ALA  15           HB1      ALA  15  36.719  19.282  -2.157
  133    HB2  ALA  15           HB2      ALA  15  34.967  19.580  -2.110
  134    HB3  ALA  15           HB3      ALA  15  35.594  18.096  -2.861
  135    H    ALA  16           HN       ALA  16  35.408  15.998   0.620
  136    HA   ALA  16           HA       ALA  16  33.709  14.508   1.079
  137    HB1  ALA  16           HB1      ALA  16  32.325  16.726   1.215
  138    HB2  ALA  16           HB2      ALA  16  31.463  15.178   1.049
  139    HB3  ALA  16           HB3      ALA  16  31.682  16.230  -0.368
  140    H    LEU  17           HN       LEU  17  35.394  14.023  -0.999
  141    HA   LEU  17           HA       LEU  17  35.541  12.680  -2.886
  142    HB2  LEU  17           HB2      LEU  17  32.554  12.163  -2.653
  143    HB3  LEU  17           HB1      LEU  17  33.760  11.166  -3.483
  144    HG   LEU  17           HG       LEU  17  34.053  11.711  -0.502
  145   HD11  LEU  17          HD11      LEU  17  31.760  10.885  -0.751
  146   HD12  LEU  17          HD12      LEU  17  32.791   9.599  -0.082
  147   HD13  LEU  17          HD13      LEU  17  32.325   9.562  -1.798
  148   HD21  LEU  17          HD21      LEU  17  34.734   9.272  -2.203
  149   HD22  LEU  17          HD22      LEU  17  35.269   9.608  -0.540
  150   HD23  LEU  17          HD23      LEU  17  35.879  10.594  -1.887
  151    H    ASP  18           HN       ASP  18  34.931  15.534  -3.039
  152    HA   ASP  18           HA       ASP  18  34.336  17.111  -4.635
  153    HB2  ASP  18           HB2      ASP  18  35.981  15.750  -5.935
  154    HB3  ASP  18           HB1      ASP  18  34.630  14.771  -6.558
  155    H    HIS  19           HN       HIS  19  32.155  16.040  -3.291
  156    HA   HIS  19           HA       HIS  19  29.857  15.747  -3.469
  157    HB2  HIS  19           HB2      HIS  19  30.066  18.055  -4.334
  158    HB3  HIS  19           HB1      HIS  19  30.277  17.415  -5.982
  159    HD1  HIS  19           HD1      HIS  19  28.206  16.710  -7.275
  160    HD2  HIS  19           HD2      HIS  19  27.409  17.560  -3.232
  161    HE1  HIS  19           HE1      HIS  19  25.668  16.706  -6.982
  162    H    LEU  20           HN       LEU  20  30.662  13.426  -4.009
  163    HA   LEU  20           HA       LEU  20  30.387  12.515  -6.732
  164    HB2  LEU  20           HB2      LEU  20  31.663  11.199  -5.162
  165    HB3  LEU  20           HB1      LEU  20  30.287  11.088  -4.046
  166    HG   LEU  20           HG       LEU  20  29.058   9.665  -5.579
  167   HD11  LEU  20          HD11      LEU  20  31.269  10.414  -7.532
  168   HD12  LEU  20          HD12      LEU  20  29.508  10.576  -7.736
  169   HD13  LEU  20          HD13      LEU  20  30.262   8.966  -7.773
  170   HD21  LEU  20          HD21      LEU  20  30.809   8.581  -4.190
  171   HD22  LEU  20          HD22      LEU  20  31.990   8.820  -5.501
  172   HD23  LEU  20          HD23      LEU  20  30.597   7.738  -5.742
  Start of MODEL   50
    1    H1   TRP   1           HT1      TRP   1  42.871  14.257  17.504
    2    H2   TRP   1           HT2      TRP   1  43.219  12.606  17.714
    3    H3   TRP   1           HT3      TRP   1  41.692  13.218  18.140
    4    HA   TRP   1           HA       TRP   1  42.607  13.567  15.402
    5    HB2  TRP   1           HB2      TRP   1  41.608  11.307  14.870
    6    HB3  TRP   1           HB1      TRP   1  43.153  11.242  15.752
    7    HD1  TRP   1           HD1      TRP   1  39.357  10.930  16.355
    8    HE1  TRP   1           HE1      TRP   1  38.944   9.494  18.483
    9    HE3  TRP   1           HE3      TRP   1  44.207  10.347  17.889
   10    HZ2  TRP   1           HZ2      TRP   1  40.531   8.272  20.553
   11    HZ3  TRP   1           HZ3      TRP   1  44.734   9.043  19.944
   12    HH2  TRP   1           HH2      TRP   1  42.902   8.006  21.276
   13    H    LEU   2           HN       LEU   2  40.961  14.265  14.145
   14    HA   LEU   2           HA       LEU   2  38.541  15.133  15.458
   15    HB2  LEU   2           HB2      LEU   2  39.688  16.241  13.473
   16    HB3  LEU   2           HB1      LEU   2  39.040  14.924  12.474
   17    HG   LEU   2           HG       LEU   2  36.709  15.588  13.536
   18   HD11  LEU   2          HD11      LEU   2  37.456  17.169  15.225
   19   HD12  LEU   2          HD12      LEU   2  36.608  18.089  13.966
   20   HD13  LEU   2          HD13      LEU   2  38.384  18.096  14.025
   21   HD21  LEU   2          HD21      LEU   2  38.133  17.390  11.524
   22   HD22  LEU   2          HD22      LEU   2  36.370  17.276  11.742
   23   HD23  LEU   2          HD23      LEU   2  37.287  15.869  11.151
   24    H    ARG   3           HN       ARG   3  38.785  13.128  12.533
   25    HA   ARG   3           HA       ARG   3  37.156  10.981  13.662
   26    HB2  ARG   3           HB2      ARG   3  35.459  12.806  13.139
   27    HB3  ARG   3           HB1      ARG   3  35.935  12.658  11.430
   28    HG2  ARG   3           HG2      ARG   3  35.285  10.292  11.416
   29    HG3  ARG   3           HG1      ARG   3  34.906  10.360  13.154
   30    HD2  ARG   3           HD2      ARG   3  33.225  12.190  12.613
   31    HD3  ARG   3           HD1      ARG   3  33.498  11.833  10.891
   32    HE   ARG   3           HE       ARG   3  32.205   9.875  11.164
   33   HH11  ARG   3          HH11      ARG   3  30.615  11.027  13.311
   34   HH12  ARG   3          HH12      ARG   3  30.868   9.942  14.637
   35   HH21  ARG   3          HH21      ARG   3  33.701   8.494  13.258
   36   HH22  ARG   3          HH22      ARG   3  32.615   8.507  14.608
   37    H    ARG   4           HN       ARG   4  39.098  12.559  11.387
   38    HA   ARG   4           HA       ARG   4  39.986  10.075  10.205
   39    HB2  ARG   4           HB2      ARG   4  37.808  10.496   8.966
   40    HB3  ARG   4           HB1      ARG   4  38.529  12.000   8.344
   41    HG2  ARG   4           HG2      ARG   4  40.229  10.814   7.144
   42    HG3  ARG   4           HG1      ARG   4  39.886   9.293   8.001
   43    HD2  ARG   4           HD2      ARG   4  38.951   9.567   5.585
   44    HD3  ARG   4           HD1      ARG   4  37.847   8.959   6.842
   45    HE   ARG   4           HE       ARG   4  37.741  11.859   6.604
   46   HH11  ARG   4          HH11      ARG   4  37.302   9.832   4.078
   47   HH12  ARG   4          HH12      ARG   4  35.588  10.037   3.927
   48   HH21  ARG   4          HH21      ARG   4  35.257  11.714   6.945
   49   HH22  ARG   4          HH22      ARG   4  34.430  11.104   5.550
   50    H    ILE   5           HN       ILE   5  40.226  13.254  11.139
   51    HA   ILE   5           HA       ILE   5  41.928  14.815  10.978
   52    HB   ILE   5           HB       ILE   5  43.650  12.652   9.699
   53   HG12  ILE   5          HG12      ILE   5  42.972  13.104  12.643
   54   HG13  ILE   5          HG11      ILE   5  42.550  11.677  11.669
   55   HG21  ILE   5          HG21      ILE   5  44.404  14.843  11.676
   56   HG22  ILE   5          HG22      ILE   5  44.423  15.103   9.915
   57   HG23  ILE   5          HG23      ILE   5  45.480  13.873  10.643
   58   HD11  ILE   5           HD1      ILE   5  45.292  12.580  12.613
   59   HD12  ILE   5           HD2      ILE   5  45.111  11.453  11.245
   60   HD13  ILE   5           HD3      ILE   5  44.495  11.009  12.855
   61    H    GLY   6           HN       GLY   6  42.218  16.460   9.615
   62    HA2  GLY   6           HA1      GLY   6  42.413  17.627   7.627
   63    HA3  GLY   6           HA2      GLY   6  42.994  16.131   6.869
   64    H    LYS   7           HN       LYS   7  40.127  15.292   8.220
   65    HA   LYS   7           HA       LYS   7  38.056  14.826   7.282
   66    HB2  LYS   7           HB2      LYS   7  38.329  17.487   5.841
   67    HB3  LYS   7           HB1      LYS   7  36.840  16.674   6.382
   68    HG2  LYS   7           HG2      LYS   7  37.649  16.902   8.757
   69    HG3  LYS   7           HG1      LYS   7  39.022  17.858   8.149
   70    HD2  LYS   7           HD2      LYS   7  37.368  19.434   7.080
   71    HD3  LYS   7           HD1      LYS   7  36.062  18.533   7.885
   72    HE2  LYS   7           HE2      LYS   7  36.695  20.510   9.222
   73    HE3  LYS   7           HE1      LYS   7  37.099  19.011  10.092
   74    HZ1  LYS   7           HZ1      LYS   7  39.211  19.929   8.367
   75    HZ2  LYS   7           HZ2      LYS   7  39.263  19.479  10.005
   76    HZ3  LYS   7           HZ3      LYS   7  38.814  21.058   9.569
   77    H    GLY   8           HN       GLY   8  38.892  13.072   6.033
   78    HA2  GLY   8           HA1      GLY   8  38.906  11.915   4.020
   79    HA3  GLY   8           HA2      GLY   8  38.332  13.382   3.205
   80    H    VAL   9           HN       VAL   9  39.669  13.284   1.438
   81    HA   VAL   9           HA       VAL   9  42.554  12.899   1.774
   82    HB   VAL   9           HB       VAL   9  40.964  13.823  -0.663
   83   HG11  VAL   9          HG11      VAL   9  43.837  12.893  -0.249
   84   HG12  VAL   9          HG12      VAL   9  43.284  14.433  -0.947
   85   HG13  VAL   9          HG13      VAL   9  43.049  12.915  -1.844
   86   HG21  VAL   9          HG21      VAL   9  41.142  11.473  -1.367
   87   HG22  VAL   9          HG22      VAL   9  40.323  11.572   0.210
   88   HG23  VAL   9          HG23      VAL   9  42.030  11.074   0.123
   89    H    LYS  10           HN       LYS  10  41.384  15.500  -0.313
   90    HA   LYS  10           HA       LYS  10  42.018  17.660   1.495
   91    HB2  LYS  10           HB2      LYS  10  44.321  16.616   1.027
   92    HB3  LYS  10           HB1      LYS  10  44.125  17.185  -0.647
   93    HG2  LYS  10           HG2      LYS  10  43.749  19.510   0.249
   94    HG3  LYS  10           HG1      LYS  10  44.120  18.897   1.878
   95    HD2  LYS  10           HD2      LYS  10  46.351  18.157   1.096
   96    HD3  LYS  10           HD1      LYS  10  45.982  18.769  -0.535
   97    HE2  LYS  10           HE2      LYS  10  47.319  20.423   0.712
   98    HE3  LYS  10           HE1      LYS  10  45.683  21.055   0.408
   99    HZ1  LYS  10           HZ1      LYS  10  46.913  20.889   2.837
  100    HZ2  LYS  10           HZ2      LYS  10  45.863  19.553   2.847
  101    HZ3  LYS  10           HZ3      LYS  10  45.251  21.115   2.578
  102    H    ILE  11           HN       ILE  11  41.368  16.335  -1.661
  103    HA   ILE  11           HA       ILE  11  40.321  19.026  -2.545
  104    HB   ILE  11           HB       ILE  11  41.540  16.967  -4.426
  105   HG12  ILE  11          HG12      ILE  11  42.860  19.406  -3.146
  106   HG13  ILE  11          HG11      ILE  11  43.297  17.707  -2.858
  107   HG21  ILE  11          HG21      ILE  11  41.466  18.737  -6.039
  108   HG22  ILE  11          HG22      ILE  11  41.157  19.968  -4.790
  109   HG23  ILE  11          HG23      ILE  11  39.893  18.790  -5.214
  110   HD11  ILE  11           HD1      ILE  11  43.662  17.568  -5.433
  111   HD12  ILE  11           HD2      ILE  11  44.877  18.441  -4.471
  112   HD13  ILE  11           HD3      ILE  11  43.651  19.348  -5.388
  113    H    ILE  12           HN       ILE  12  40.237  15.475  -2.983
  114    HA   ILE  12           HA       ILE  12  37.543  15.664  -4.224
  115    HB   ILE  12           HB       ILE  12  39.267  13.260  -3.510
  116   HG12  ILE  12          HG12      ILE  12  38.876  14.641  -6.210
  117   HG13  ILE  12          HG11      ILE  12  40.296  14.865  -5.165
  118   HG21  ILE  12          HG21      ILE  12  37.789  12.097  -5.204
  119   HG22  ILE  12          HG22      ILE  12  36.796  13.569  -5.287
  120   HG23  ILE  12          HG23      ILE  12  36.900  12.647  -3.770
  121   HD11  ILE  12           HD1      ILE  12  39.474  12.442  -6.779
  122   HD12  ILE  12           HD2      ILE  12  40.392  12.185  -5.276
  123   HD13  ILE  12           HD3      ILE  12  41.079  13.176  -6.582
  124    H    GLY  13           HN       GLY  13  38.402  12.986  -2.088
  125    HA2  GLY  13           HA1      GLY  13  35.976  13.171  -0.590
  126    HA3  GLY  13           HA2      GLY  13  37.443  12.291  -0.095
  127    H    GLY  14           HN       GLY  14  38.607  15.090  -0.837
  128    HA2  GLY  14           HA1      GLY  14  38.756  16.081   1.934
  129    HA3  GLY  14           HA2      GLY  14  39.640  16.698   0.520
  130    H    ALA  15           HN       ALA  15  37.632  17.233  -1.316
  131    HA   ALA  15           HA       ALA  15  36.378  19.601   0.012
  132    HB1  ALA  15           HB1      ALA  15  37.385  19.738  -2.288
  133    HB2  ALA  15           HB2      ALA  15  35.681  20.238  -2.213
  134    HB3  ALA  15           HB3      ALA  15  36.108  18.637  -2.860
  135    H    ALA  16           HN       ALA  16  35.703  16.856   0.771
  136    HA   ALA  16           HA       ALA  16  33.774  15.811   1.486
  137    HB1  ALA  16           HB1      ALA  16  32.004  17.677  -0.107
  138    HB2  ALA  16           HB2      ALA  16  32.830  18.266   1.354
  139    HB3  ALA  16           HB3      ALA  16  31.703  16.893   1.462
  140    H    LEU  17           HN       LEU  17  35.301  15.037  -0.819
  141    HA   LEU  17           HA       LEU  17  35.074  13.700  -2.715
  142    HB2  LEU  17           HB2      LEU  17  33.648  12.545  -0.702
  143    HB3  LEU  17           HB1      LEU  17  32.341  12.741  -1.889
  144    HG   LEU  17           HG       LEU  17  35.019  11.362  -2.429
  145   HD11  LEU  17          HD11      LEU  17  33.677   9.285  -2.433
  146   HD12  LEU  17          HD12      LEU  17  32.223  10.218  -2.004
  147   HD13  LEU  17          HD13      LEU  17  33.577  10.100  -0.855
  148   HD21  LEU  17          HD21      LEU  17  33.842  10.601  -4.506
  149   HD22  LEU  17          HD22      LEU  17  34.044  12.368  -4.451
  150   HD23  LEU  17          HD23      LEU  17  32.463  11.639  -4.078
  151    H    ASP  18           HN       ASP  18  34.232  16.389  -3.018
  152    HA   ASP  18           HA       ASP  18  33.020  17.741  -4.459
  153    HB2  ASP  18           HB2      ASP  18  34.189  16.381  -6.134
  154    HB3  ASP  18           HB1      ASP  18  32.904  15.155  -6.062
  155    H    HIS  19           HN       HIS  19  31.242  14.822  -5.426
  156    HA   HIS  19           HA       HIS  19  28.697  16.013  -5.270
  157    HB2  HIS  19           HB2      HIS  19  29.319  13.080  -4.761
  158    HB3  HIS  19           HB1      HIS  19  27.798  13.769  -5.379
  159    HD1  HIS  19           HD1      HIS  19  28.363  15.465  -7.641
  160    HD2  HIS  19           HD2      HIS  19  30.881  12.192  -6.845
  161    HE1  HIS  19           HE1      HIS  19  29.578  14.893  -9.815
  162    H    LEU  20           HN       LEU  20  29.972  13.596  -2.924
  163    HA   LEU  20           HA       LEU  20  27.953  14.098  -0.984
  164    HB2  LEU  20           HB2      LEU  20  29.771  12.183  -1.217
  165    HB3  LEU  20           HB1      LEU  20  30.752  13.245  -0.198
  166    HG   LEU  20           HG       LEU  20  29.638  11.735   1.285
  167   HD11  LEU  20          HD11      LEU  20  28.399  13.210   2.719
  168   HD12  LEU  20          HD12      LEU  20  27.943  14.266   1.365
  169   HD13  LEU  20          HD13      LEU  20  29.637  14.190   1.905
  170   HD21  LEU  20          HD21      LEU  20  26.872  12.502   0.275
  171   HD22  LEU  20          HD22      LEU  20  27.377  11.078   1.203
  172   HD23  LEU  20          HD23      LEU  20  27.789  11.202  -0.520
  Start of MODEL   51
    1    H1   TRP   1           HT1      TRP   1  27.850  11.217  11.639
    2    H2   TRP   1           HT2      TRP   1  27.576  10.140  12.924
    3    H3   TRP   1           HT3      TRP   1  26.809   9.897  11.426
    4    HA   TRP   1           HA       TRP   1  29.152   8.800  12.282
    5    HB2  TRP   1           HB2      TRP   1  27.913   9.076   9.517
    6    HB3  TRP   1           HB1      TRP   1  29.239   7.956   9.916
    7    HD1  TRP   1           HD1      TRP   1  25.521   8.584  10.543
    8    HE1  TRP   1           HE1      TRP   1  24.425   6.451  11.548
    9    HE3  TRP   1           HE3      TRP   1  29.744   5.794  11.309
   10    HZ2  TRP   1           HZ2      TRP   1  25.295   3.893  12.541
   11    HZ3  TRP   1           HZ3      TRP   1  29.587   3.509  12.287
   12    HH2  TRP   1           HH2      TRP   1  27.369   2.557  12.903
   13    H    LEU   2           HN       LEU   2  31.209   8.696  11.033
   14    HA   LEU   2           HA       LEU   2  32.361  11.370  10.885
   15    HB2  LEU   2           HB2      LEU   2  33.620   8.790   9.903
   16    HB3  LEU   2           HB1      LEU   2  34.434  10.247  10.518
   17    HG   LEU   2           HG       LEU   2  32.679   8.338  12.125
   18   HD11  LEU   2          HD11      LEU   2  34.782   7.827  13.308
   19   HD12  LEU   2          HD12      LEU   2  35.662   8.965  12.260
   20   HD13  LEU   2          HD13      LEU   2  34.950   7.487  11.570
   21   HD21  LEU   2          HD21      LEU   2  32.319  10.503  13.068
   22   HD22  LEU   2          HD22      LEU   2  34.011  10.992  12.803
   23   HD23  LEU   2          HD23      LEU   2  33.613   9.796  14.061
   24    H    ARG   3           HN       ARG   3  30.478   9.578   8.811
   25    HA   ARG   3           HA       ARG   3  29.946   9.787   6.574
   26    HB2  ARG   3           HB2      ARG   3  31.618  12.327   6.606
   27    HB3  ARG   3           HB1      ARG   3  30.320  11.900   5.470
   28    HG2  ARG   3           HG2      ARG   3  28.675  11.921   7.299
   29    HG3  ARG   3           HG1      ARG   3  29.962  12.278   8.476
   30    HD2  ARG   3           HD2      ARG   3  29.291  14.053   6.091
   31    HD3  ARG   3           HD1      ARG   3  28.675  14.318   7.740
   32    HE   ARG   3           HE       ARG   3  31.465  14.125   7.999
   33   HH11  ARG   3          HH11      ARG   3  31.693  16.383   8.955
   34   HH12  ARG   3          HH12      ARG   3  31.577  17.654   7.784
   35   HH21  ARG   3          HH21      ARG   3  30.226  15.618   5.322
   36   HH22  ARG   3          HH22      ARG   3  30.745  17.221   5.727
   37    H    ARG   4           HN       ARG   4  33.166  11.358   6.434
   38    HA   ARG   4           HA       ARG   4  33.943   9.722   4.174
   39    HB2  ARG   4           HB2      ARG   4  35.358  11.684   6.001
   40    HB3  ARG   4           HB1      ARG   4  36.298  10.717   4.844
   41    HG2  ARG   4           HG2      ARG   4  35.658  12.919   3.888
   42    HG3  ARG   4           HG1      ARG   4  34.927  11.574   2.981
   43    HD2  ARG   4           HD2      ARG   4  33.438  12.958   5.239
   44    HD3  ARG   4           HD1      ARG   4  33.398  13.581   3.574
   45    HE   ARG   4           HE       ARG   4  31.978  11.243   4.534
   46   HH11  ARG   4          HH11      ARG   4  32.432  13.264   1.935
   47   HH12  ARG   4          HH12      ARG   4  32.125  12.079   0.712
   48   HH21  ARG   4          HH21      ARG   4  32.112   9.410   2.926
   49   HH22  ARG   4          HH22      ARG   4  31.944   9.896   1.272
   50    H    ILE   5           HN       ILE   5  33.364   8.683   7.184
   51    HA   ILE   5           HA       ILE   5  34.198   6.967   8.513
   52    HB   ILE   5           HB       ILE   5  35.417   5.785   5.985
   53   HG12  ILE   5          HG12      ILE   5  32.467   5.938   6.763
   54   HG13  ILE   5          HG11      ILE   5  33.224   6.678   5.333
   55   HG21  ILE   5          HG21      ILE   5  34.904   3.691   7.006
   56   HG22  ILE   5          HG22      ILE   5  33.785   4.434   8.174
   57   HG23  ILE   5          HG23      ILE   5  35.539   4.686   8.334
   58   HD11  ILE   5           HD1      ILE   5  32.798   3.730   5.927
   59   HD12  ILE   5           HD2      ILE   5  33.977   4.276   4.708
   60   HD13  ILE   5           HD3      ILE   5  32.251   4.667   4.518
   61    H    GLY   6           HN       GLY   6  35.836   9.205   8.540
   62    HA2  GLY   6           HA1      GLY   6  37.961   9.829   9.199
   63    HA3  GLY   6           HA2      GLY   6  38.261   8.118   9.563
   64    H    LYS   7           HN       LYS   7  38.008  10.376   6.784
   65    HA   LYS   7           HA       LYS   7  40.584   9.360   5.748
   66    HB2  LYS   7           HB2      LYS   7  37.968   8.987   4.232
   67    HB3  LYS   7           HB1      LYS   7  39.573   8.884   3.480
   68    HG2  LYS   7           HG2      LYS   7  40.119   7.112   5.306
   69    HG3  LYS   7           HG1      LYS   7  38.369   7.083   5.613
   70    HD2  LYS   7           HD2      LYS   7  38.542   5.370   4.027
   71    HD3  LYS   7           HD1      LYS   7  38.213   6.756   2.963
   72    HE2  LYS   7           HE2      LYS   7  40.064   5.678   1.942
   73    HE3  LYS   7           HE1      LYS   7  40.817   7.007   2.851
   74    HZ1  LYS   7           HZ1      LYS   7  41.433   5.537   4.574
   75    HZ2  LYS   7           HZ2      LYS   7  41.867   4.760   3.126
   76    HZ3  LYS   7           HZ3      LYS   7  40.472   4.277   3.969
   77    H    GLY   8           HN       GLY   8  38.335  10.643   3.457
   78    HA2  GLY   8           HA1      GLY   8  38.341  12.663   2.327
   79    HA3  GLY   8           HA2      GLY   8  38.491  13.410   3.930
   80    H    VAL   9           HN       VAL   9  40.010  12.743   0.932
   81    HA   VAL   9           HA       VAL   9  42.755  12.872   1.692
   82    HB   VAL   9           HB       VAL   9  41.454  13.879  -0.879
   83   HG11  VAL   9          HG11      VAL   9  43.772  13.347  -1.795
   84   HG12  VAL   9          HG12      VAL   9  44.321  13.193  -0.108
   85   HG13  VAL   9          HG13      VAL   9  43.702  14.752  -0.704
   86   HG21  VAL   9          HG21      VAL   9  40.941  11.507  -0.378
   87   HG22  VAL   9          HG22      VAL   9  42.674  11.181  -0.137
   88   HG23  VAL   9          HG23      VAL   9  42.069  11.639  -1.749
   89    H    LYS  10           HN       LYS  10  41.381  15.532  -0.229
   90    HA   LYS  10           HA       LYS  10  41.659  17.541   1.820
   91    HB2  LYS  10           HB2      LYS  10  44.093  16.933   1.405
   92    HB3  LYS  10           HB1      LYS  10  43.882  17.542  -0.254
   93    HG2  LYS  10           HG2      LYS  10  43.157  19.743   0.666
   94    HG3  LYS  10           HG1      LYS  10  43.440  19.130   2.314
   95    HD2  LYS  10           HD2      LYS  10  45.823  18.732   1.760
   96    HD3  LYS  10           HD1      LYS  10  45.542  19.344   0.112
   97    HE2  LYS  10           HE2      LYS  10  44.992  20.969   2.631
   98    HE3  LYS  10           HE1      LYS  10  46.515  21.056   1.712
   99    HZ1  LYS  10           HZ1      LYS  10  44.933  21.453  -0.279
  100    HZ2  LYS  10           HZ2      LYS  10  45.270  22.737   0.781
  101    HZ3  LYS  10           HZ3      LYS  10  43.801  21.892   0.906
  102    H    ILE  11           HN       ILE  11  41.406  16.505  -1.502
  103    HA   ILE  11           HA       ILE  11  39.987  19.087  -2.176
  104    HB   ILE  11           HB       ILE  11  41.488  17.342  -4.175
  105   HG12  ILE  11          HG12      ILE  11  42.451  19.860  -2.738
  106   HG13  ILE  11          HG11      ILE  11  43.094  18.219  -2.495
  107   HG21  ILE  11          HG21      ILE  11  41.196  19.196  -5.664
  108   HG22  ILE  11          HG22      ILE  11  40.703  20.282  -4.342
  109   HG23  ILE  11          HG23      ILE  11  39.619  18.976  -4.875
  110   HD11  ILE  11           HD1      ILE  11  44.608  19.206  -4.031
  111   HD12  ILE  11           HD2      ILE  11  43.304  19.988  -4.953
  112   HD13  ILE  11           HD3      ILE  11  43.539  18.225  -5.061
  113    H    ILE  12           HN       ILE  12  40.425  15.674  -3.225
  114    HA   ILE  12           HA       ILE  12  37.754  15.591  -4.404
  115    HB   ILE  12           HB       ILE  12  39.648  13.344  -3.637
  116   HG12  ILE  12          HG12      ILE  12  40.850  14.830  -5.101
  117   HG13  ILE  12          HG11      ILE  12  40.346  13.440  -6.082
  118   HG21  ILE  12          HG21      ILE  12  38.349  12.294  -5.735
  119   HG22  ILE  12          HG22      ILE  12  37.099  13.475  -5.279
  120   HG23  ILE  12          HG23      ILE  12  37.629  12.247  -4.112
  121   HD11  ILE  12           HD1      ILE  12  39.253  16.271  -6.083
  122   HD12  ILE  12           HD2      ILE  12  38.258  14.922  -6.677
  123   HD13  ILE  12           HD3      ILE  12  39.813  15.288  -7.454
  124    H    GLY  13           HN       GLY  13  38.661  12.864  -2.383
  125    HA2  GLY  13           HA1      GLY  13  36.182  12.695  -1.050
  126    HA3  GLY  13           HA2      GLY  13  37.713  12.031  -0.439
  127    H    GLY  14           HN       GLY  14  38.598  14.938  -0.937
  128    HA2  GLY  14           HA1      GLY  14  38.313  15.831   1.844
  129    HA3  GLY  14           HA2      GLY  14  39.208  16.643   0.539
  130    H    ALA  15           HN       ALA  15  37.312  16.997  -1.445
  131    HA   ALA  15           HA       ALA  15  35.574  19.048  -0.121
  132    HB1  ALA  15           HB1      ALA  15  35.015  19.752  -2.370
  133    HB2  ALA  15           HB2      ALA  15  35.783  18.307  -3.066
  134    HB3  ALA  15           HB3      ALA  15  36.778  19.552  -2.267
  135    H    ALA  16           HN       ALA  16  35.303  16.151   0.316
  136    HA   ALA  16           HA       ALA  16  33.507  14.760   0.731
  137    HB1  ALA  16           HB1      ALA  16  32.184  17.040   0.682
  138    HB2  ALA  16           HB2      ALA  16  31.297  15.502   0.558
  139    HB3  ALA  16           HB3      ALA  16  31.617  16.465  -0.903
  140    H    LEU  17           HN       LEU  17  35.364  14.436  -1.408
  141    HA   LEU  17           HA       LEU  17  35.578  13.172  -3.351
  142    HB2  LEU  17           HB2      LEU  17  33.932  11.753  -1.743
  143    HB3  LEU  17           HB1      LEU  17  32.792  12.030  -3.074
  144    HG   LEU  17           HG       LEU  17  35.586  10.824  -3.391
  145   HD11  LEU  17          HD11      LEU  17  34.283   8.712  -3.831
  146   HD12  LEU  17          HD12      LEU  17  32.814   9.559  -3.292
  147   HD13  LEU  17          HD13      LEU  17  34.157   9.291  -2.154
  148   HD21  LEU  17          HD21      LEU  17  33.231  11.174  -5.304
  149   HD22  LEU  17          HD22      LEU  17  34.671  10.190  -5.652
  150   HD23  LEU  17          HD23      LEU  17  34.830  11.947  -5.430
  151    H    ASP  18           HN       ASP  18  34.907  15.755  -3.819
  152    HA   ASP  18           HA       ASP  18  33.953  17.163  -5.400
  153    HB2  ASP  18           HB2      ASP  18  33.582  14.603  -7.005
  154    HB3  ASP  18           HB1      ASP  18  33.680  16.264  -7.639
  155    H    HIS  19           HN       HIS  19  32.242  15.642  -3.400
  156    HA   HIS  19           HA       HIS  19  29.988  15.448  -2.901
  157    HB2  HIS  19           HB2      HIS  19  30.060  17.876  -3.477
  158    HB3  HIS  19           HB1      HIS  19  29.638  17.462  -5.156
  159    HD1  HIS  19           HD1      HIS  19  28.264  16.517  -1.675
  160    HD2  HIS  19           HD2      HIS  19  26.919  17.730  -5.471
  161    HE1  HIS  19           HE1      HIS  19  25.712  16.599  -1.588
  162    H    LEU  20           HN       LEU  20  30.561  13.255  -4.050
  163    HA   LEU  20           HA       LEU  20  29.630  12.631  -6.624
  164    HB2  LEU  20           HB2      LEU  20  30.851  11.102  -5.019
  165    HB3  LEU  20           HB1      LEU  20  29.317  10.885  -4.152
  166    HG   LEU  20           HG       LEU  20  28.308  10.128  -6.407
  167   HD11  LEU  20          HD11      LEU  20  29.889  10.827  -8.044
  168   HD12  LEU  20          HD12      LEU  20  30.152   9.077  -7.918
  169   HD13  LEU  20          HD13      LEU  20  31.268  10.202  -7.112
  170   HD21  LEU  20          HD21      LEU  20  28.877   8.583  -4.551
  171   HD22  LEU  20          HD22      LEU  20  30.544   8.464  -5.165
  172   HD23  LEU  20          HD23      LEU  20  29.190   7.834  -6.134
  Start of MODEL   52
    1    H1   TRP   1           HT1      TRP   1  52.640   9.874   5.341
    2    H2   TRP   1           HT2      TRP   1  53.778   9.025   6.276
    3    H3   TRP   1           HT3      TRP   1  53.348  10.616   6.691
    4    HA   TRP   1           HA       TRP   1  51.041   9.044   6.534
    5    HB2  TRP   1           HB2      TRP   1  51.634   7.592   8.552
    6    HB3  TRP   1           HB1      TRP   1  52.353   7.098   7.000
    7    HD1  TRP   1           HD1      TRP   1  53.231   8.531  10.408
    8    HE1  TRP   1           HE1      TRP   1  55.813   8.570  10.716
    9    HE3  TRP   1           HE3      TRP   1  54.629   7.292   5.643
   10    HZ2  TRP   1           HZ2      TRP   1  58.146   8.119   9.087
   11    HZ3  TRP   1           HZ3      TRP   1  57.038   7.101   5.042
   12    HH2  TRP   1           HH2      TRP   1  58.797   7.513   6.758
   13    H    LEU   2           HN       LEU   2  49.774  10.545   7.395
   14    HA   LEU   2           HA       LEU   2  50.779  12.435   9.389
   15    HB2  LEU   2           HB2      LEU   2  47.876  11.992   8.618
   16    HB3  LEU   2           HB1      LEU   2  48.655  13.485   9.195
   17    HG   LEU   2           HG       LEU   2  49.143  12.089   6.526
   18   HD11  LEU   2          HD11      LEU   2  48.082  14.040   5.555
   19   HD12  LEU   2          HD12      LEU   2  48.011  14.852   7.137
   20   HD13  LEU   2          HD13      LEU   2  47.002  13.419   6.826
   21   HD21  LEU   2          HD21      LEU   2  51.249  13.027   7.162
   22   HD22  LEU   2          HD22      LEU   2  50.486  14.464   7.885
   23   HD23  LEU   2          HD23      LEU   2  50.506  14.259   6.117
   24    H    ARG   3           HN       ARG   3  47.828  10.418   9.527
   25    HA   ARG   3           HA       ARG   3  48.639   9.362  12.194
   26    HB2  ARG   3           HB2      ARG   3  46.071  10.944  11.726
   27    HB3  ARG   3           HB1      ARG   3  46.496  10.061  13.213
   28    HG2  ARG   3           HG2      ARG   3  48.590  11.493  13.356
   29    HG3  ARG   3           HG1      ARG   3  47.937  12.465  12.016
   30    HD2  ARG   3           HD2      ARG   3  46.456  11.953  14.632
   31    HD3  ARG   3           HD1      ARG   3  47.428  13.406  14.300
   32    HE   ARG   3           HE       ARG   3  45.845  13.899  12.408
   33   HH11  ARG   3          HH11      ARG   3  44.131  11.914  11.705
   34   HH12  ARG   3          HH12      ARG   3  42.784  11.969  12.793
   35   HH21  ARG   3          HH21      ARG   3  44.448  13.860  15.177
   36   HH22  ARG   3          HH22      ARG   3  42.964  13.070  14.759
   37    H    ARG   4           HN       ARG   4  47.167   9.178   9.171
   38    HA   ARG   4           HA       ARG   4  46.485   6.385   9.541
   39    HB2  ARG   4           HB2      ARG   4  44.489   7.773  10.539
   40    HB3  ARG   4           HB1      ARG   4  44.112   8.151   8.846
   41    HG2  ARG   4           HG2      ARG   4  42.834   6.207   9.129
   42    HG3  ARG   4           HG1      ARG   4  44.350   5.494   8.535
   43    HD2  ARG   4           HD2      ARG   4  43.522   4.272  10.517
   44    HD3  ARG   4           HD1      ARG   4  45.063   5.080  10.887
   45    HE   ARG   4           HE       ARG   4  43.892   6.332  12.499
   46   HH11  ARG   4          HH11      ARG   4  41.671   4.391  10.890
   47   HH12  ARG   4          HH12      ARG   4  40.289   5.371  11.253
   48   HH21  ARG   4          HH21      ARG   4  42.149   7.962  12.611
   49   HH22  ARG   4          HH22      ARG   4  40.560   7.391  12.228
   50    H    ILE   5           HN       ILE   5  47.724   8.783   7.866
   51    HA   ILE   5           HA       ILE   5  48.296   9.075   5.647
   52    HB   ILE   5           HB       ILE   5  47.067   6.350   5.052
   53   HG12  ILE   5          HG12      ILE   5  49.827   7.028   6.173
   54   HG13  ILE   5          HG11      ILE   5  48.539   6.149   7.029
   55   HG21  ILE   5          HG21      ILE   5  49.524   7.696   3.859
   56   HG22  ILE   5          HG22      ILE   5  47.892   7.933   3.194
   57   HG23  ILE   5          HG23      ILE   5  48.610   6.308   3.222
   58   HD11  ILE   5           HD1      ILE   5  49.947   4.428   6.198
   59   HD12  ILE   5           HD2      ILE   5  50.176   5.249   4.636
   60   HD13  ILE   5           HD3      ILE   5  48.613   4.487   5.021
   61    H    GLY   6           HN       GLY   6  45.389   7.033   5.134
   62    HA2  GLY   6           HA1      GLY   6  44.324   8.974   3.242
   63    HA3  GLY   6           HA2      GLY   6  43.547   7.474   3.786
   64    H    LYS   7           HN       LYS   7  44.724  10.138   5.835
   65    HA   LYS   7           HA       LYS   7  42.362  10.230   7.413
   66    HB2  LYS   7           HB2      LYS   7  44.522  11.203   8.116
   67    HB3  LYS   7           HB1      LYS   7  44.365  12.457   6.863
   68    HG2  LYS   7           HG2      LYS   7  42.399  13.381   7.916
   69    HG3  LYS   7           HG1      LYS   7  42.281  12.004   9.037
   70    HD2  LYS   7           HD2      LYS   7  44.467  12.644  10.037
   71    HD3  LYS   7           HD1      LYS   7  44.547  14.043   8.939
   72    HE2  LYS   7           HE2      LYS   7  42.430  14.915   9.897
   73    HE3  LYS   7           HE1      LYS   7  42.363  13.525  11.006
   74    HZ1  LYS   7           HZ1      LYS   7  44.356  15.722  10.931
   75    HZ2  LYS   7           HZ2      LYS   7  44.652  14.264  11.754
   76    HZ3  LYS   7           HZ3      LYS   7  43.351  15.256  12.215
   77    H    GLY   8           HN       GLY   8  43.358  12.175   4.583
   78    HA2  GLY   8           HA1      GLY   8  40.583  12.599   3.829
   79    HA3  GLY   8           HA2      GLY   8  41.323  14.062   4.511
   80    H    VAL   9           HN       VAL   9  40.502  12.770   1.696
   81    HA   VAL   9           HA       VAL   9  42.878  12.819   0.114
   82    HB   VAL   9           HB       VAL   9  40.048  13.568  -0.751
   83   HG11  VAL   9          HG11      VAL   9  41.609  14.193  -2.466
   84   HG12  VAL   9          HG12      VAL   9  40.948  12.619  -2.961
   85   HG13  VAL   9          HG13      VAL   9  42.569  12.714  -2.233
   86   HG21  VAL   9          HG21      VAL   9  41.472  10.866  -0.760
   87   HG22  VAL   9          HG22      VAL   9  39.817  11.190  -1.328
   88   HG23  VAL   9          HG23      VAL   9  40.210  11.346   0.401
   89    H    LYS  10           HN       LYS  10  41.099  15.335   1.641
   90    HA   LYS  10           HA       LYS  10  41.416  17.614   1.713
   91    HB2  LYS  10           HB2      LYS  10  43.847  16.952   1.779
   92    HB3  LYS  10           HB1      LYS  10  43.903  17.166   0.018
   93    HG2  LYS  10           HG2      LYS  10  42.721  19.523   1.420
   94    HG3  LYS  10           HG1      LYS  10  44.389  19.185   1.919
   95    HD2  LYS  10           HD2      LYS  10  45.106  19.189  -0.457
   96    HD3  LYS  10           HD1      LYS  10  43.437  19.542  -0.958
   97    HE2  LYS  10           HE2      LYS  10  43.462  21.668   0.215
   98    HE3  LYS  10           HE1      LYS  10  45.041  21.296   0.948
   99    HZ1  LYS  10           HZ1      LYS  10  44.829  22.739  -1.232
  100    HZ2  LYS  10           HZ2      LYS  10  44.827  21.212  -1.977
  101    HZ3  LYS  10           HZ3      LYS  10  46.133  21.680  -0.995
  102    H    ILE  11           HN       ILE  11  41.119  15.933  -1.256
  103    HA   ILE  11           HA       ILE  11  40.269  18.481  -2.645
  104    HB   ILE  11           HB       ILE  11  41.265  15.956  -4.014
  105   HG12  ILE  11          HG12      ILE  11  42.809  18.476  -3.244
  106   HG13  ILE  11          HG11      ILE  11  43.089  16.837  -2.616
  107   HG21  ILE  11          HG21      ILE  11  41.176  18.829  -5.028
  108   HG22  ILE  11          HG22      ILE  11  39.811  17.706  -5.229
  109   HG23  ILE  11          HG23      ILE  11  41.380  17.337  -5.975
  110   HD11  ILE  11           HD1      ILE  11  43.435  16.159  -5.112
  111   HD12  ILE  11           HD2      ILE  11  44.729  17.080  -4.310
  112   HD13  ILE  11           HD3      ILE  11  43.601  17.907  -5.410
  113    H    ILE  12           HN       ILE  12  39.777  14.933  -2.399
  114    HA   ILE  12           HA       ILE  12  37.087  15.239  -3.655
  115    HB   ILE  12           HB       ILE  12  38.590  12.762  -2.728
  116   HG12  ILE  12          HG12      ILE  12  38.248  13.870  -5.558
  117   HG13  ILE  12          HG11      ILE  12  39.709  14.092  -4.574
  118   HG21  ILE  12          HG21      ILE  12  36.922  11.685  -4.428
  119   HG22  ILE  12          HG22      ILE  12  36.013  13.205  -4.293
  120   HG23  ILE  12          HG23      ILE  12  36.274  12.189  -2.857
  121   HD11  ILE  12           HD1      ILE  12  38.693  11.610  -5.952
  122   HD12  ILE  12           HD2      ILE  12  39.515  11.383  -4.390
  123   HD13  ILE  12           HD3      ILE  12  40.360  12.183  -5.733
  124    H    GLY  13           HN       GLY  13  37.666  12.687  -1.309
  125    HA2  GLY  13           HA1      GLY  13  35.347  13.289   0.229
  126    HA3  GLY  13           HA2      GLY  13  36.728  12.312   0.781
  127    H    GLY  14           HN       GLY  14  38.184  14.881  -0.224
  128    HA2  GLY  14           HA1      GLY  14  38.432  16.115   2.447
  129    HA3  GLY  14           HA2      GLY  14  39.389  16.478   0.996
  130    H    ALA  15           HN       ALA  15  37.490  17.057  -0.924
  131    HA   ALA  15           HA       ALA  15  36.484  19.666   0.143
  132    HB1  ALA  15           HB1      ALA  15  36.040  20.234  -2.130
  133    HB2  ALA  15           HB2      ALA  15  36.133  18.537  -2.654
  134    HB3  ALA  15           HB3      ALA  15  37.606  19.395  -2.132
  135    H    ALA  16           HN       ALA  16  35.478  17.073   1.072
  136    HA   ALA  16           HA       ALA  16  33.414  16.313   1.783
  137    HB1  ALA  16           HB1      ALA  16  31.925  18.234  -0.018
  138    HB2  ALA  16           HB2      ALA  16  32.766  18.841   1.428
  139    HB3  ALA  16           HB3      ALA  16  31.484  17.617   1.592
  140    H    LEU  17           HN       LEU  17  34.886  15.109  -0.295
  141    HA   LEU  17           HA       LEU  17  34.553  13.504  -1.947
  142    HB2  LEU  17           HB2      LEU  17  32.645  12.937  -0.219
  143    HB3  LEU  17           HB1      LEU  17  31.563  13.602  -1.462
  144    HG   LEU  17           HG       LEU  17  32.908  11.969  -3.093
  145   HD11  LEU  17          HD11      LEU  17  33.561   9.858  -1.908
  146   HD12  LEU  17          HD12      LEU  17  33.321  10.682  -0.351
  147   HD13  LEU  17          HD13      LEU  17  34.598  11.229  -1.461
  148   HD21  LEU  17          HD21      LEU  17  30.839  11.042  -1.049
  149   HD22  LEU  17          HD22      LEU  17  31.281  10.128  -2.512
  150   HD23  LEU  17          HD23      LEU  17  30.521  11.731  -2.659
  151    H    ASP  18           HN       ASP  18  34.403  16.383  -2.549
  152    HA   ASP  18           HA       ASP  18  33.919  17.749  -4.356
  153    HB2  ASP  18           HB2      ASP  18  35.118  15.986  -5.579
  154    HB3  ASP  18           HB1      ASP  18  33.604  15.071  -5.772
  155    H    HIS  19           HN       HIS  19  31.809  15.091  -5.445
  156    HA   HIS  19           HA       HIS  19  29.634  16.669  -6.177
  157    HB2  HIS  19           HB2      HIS  19  29.551  13.882  -4.955
  158    HB3  HIS  19           HB1      HIS  19  28.248  14.639  -5.904
  159    HD1  HIS  19           HD1      HIS  19  31.405  12.731  -6.218
  160    HD2  HIS  19           HD2      HIS  19  29.061  15.203  -8.687
  161    HE1  HIS  19           HE1      HIS  19  32.159  12.336  -8.628
  162    H    LEU  20           HN       LEU  20  29.749  14.786  -3.109
  163    HA   LEU  20           HA       LEU  20  27.568  16.358  -1.980
  164    HB2  LEU  20           HB2      LEU  20  29.492  14.592  -0.430
  165    HB3  LEU  20           HB1      LEU  20  27.791  14.967  -0.065
  166    HG   LEU  20           HG       LEU  20  28.797  13.346  -2.449
  167   HD11  LEU  20          HD11      LEU  20  27.133  12.470  -0.052
  168   HD12  LEU  20          HD12      LEU  20  28.897  12.263  -0.153
  169   HD13  LEU  20          HD13      LEU  20  27.837  11.437  -1.318
  170   HD21  LEU  20          HD21      LEU  20  26.029  14.274  -1.574
  171   HD22  LEU  20          HD22      LEU  20  26.259  12.865  -2.637
  172   HD23  LEU  20          HD23      LEU  20  26.808  14.472  -3.162
  Start of MODEL   53
    1    H1   TRP   1           HT1      TRP   1  35.158   7.981  14.047
    2    H2   TRP   1           HT2      TRP   1  33.940   8.924  14.764
    3    H3   TRP   1           HT3      TRP   1  35.090   8.133  15.734
    4    HA   TRP   1           HA       TRP   1  35.762  10.327  15.713
    5    HB2  TRP   1           HB2      TRP   1  37.251   8.609  13.695
    6    HB3  TRP   1           HB1      TRP   1  37.824  10.241  14.127
    7    HD1  TRP   1           HD1      TRP   1  38.033  10.602  16.934
    8    HE1  TRP   1           HE1      TRP   1  39.080   8.985  18.681
    9    HE3  TRP   1           HE3      TRP   1  37.779   6.244  14.257
   10    HZ2  TRP   1           HZ2      TRP   1  39.710   6.181  18.860
   11    HZ3  TRP   1           HZ3      TRP   1  38.609   4.111  15.237
   12    HH2  TRP   1           HH2      TRP   1  39.573   4.076  17.533
   13    H    LEU   2           HN       LEU   2  36.202  12.297  14.634
   14    HA   LEU   2           HA       LEU   2  35.064  12.553  11.874
   15    HB2  LEU   2           HB2      LEU   2  34.414  14.397  14.189
   16    HB3  LEU   2           HB1      LEU   2  33.919  14.599  12.491
   17    HG   LEU   2           HG       LEU   2  33.179  12.156  14.164
   18   HD11  LEU   2          HD11      LEU   2  32.253  14.218  15.190
   19   HD12  LEU   2          HD12      LEU   2  30.970  13.212  14.474
   20   HD13  LEU   2          HD13      LEU   2  31.538  14.669  13.623
   21   HD21  LEU   2          HD21      LEU   2  32.921  11.645  11.843
   22   HD22  LEU   2          HD22      LEU   2  32.308  13.270  11.463
   23   HD23  LEU   2          HD23      LEU   2  31.294  12.124  12.367
   24    H    ARG   3           HN       ARG   3  37.558  13.010  14.024
   25    HA   ARG   3           HA       ARG   3  38.567  15.578  13.600
   26    HB2  ARG   3           HB2      ARG   3  39.644  13.656  14.903
   27    HB3  ARG   3           HB1      ARG   3  40.286  13.079  13.347
   28    HG2  ARG   3           HG2      ARG   3  41.393  15.274  12.994
   29    HG3  ARG   3           HG1      ARG   3  40.766  15.837  14.562
   30    HD2  ARG   3           HD2      ARG   3  42.016  14.091  15.736
   31    HD3  ARG   3           HD1      ARG   3  42.567  13.404  14.190
   32    HE   ARG   3           HE       ARG   3  43.770  15.644  15.540
   33   HH11  ARG   3          HH11      ARG   3  44.099  13.710  12.895
   34   HH12  ARG   3          HH12      ARG   3  44.742  14.919  11.834
   35   HH21  ARG   3          HH21      ARG   3  44.051  17.552  13.980
   36   HH22  ARG   3          HH22      ARG   3  44.713  17.093  12.448
   37    H    ARG   4           HN       ARG   4  37.911  13.121  11.318
   38    HA   ARG   4           HA       ARG   4  39.147  14.761   9.125
   39    HB2  ARG   4           HB2      ARG   4  39.128  11.729   9.425
   40    HB3  ARG   4           HB1      ARG   4  39.574  12.594   7.935
   41    HG2  ARG   4           HG2      ARG   4  41.404  13.736   9.102
   42    HG3  ARG   4           HG1      ARG   4  40.931  12.975  10.639
   43    HD2  ARG   4           HD2      ARG   4  42.776  11.696   9.721
   44    HD3  ARG   4           HD1      ARG   4  41.298  10.721   9.543
   45    HE   ARG   4           HE       ARG   4  41.507  12.140   7.147
   46   HH11  ARG   4          HH11      ARG   4  41.604   9.272   6.924
   47   HH12  ARG   4          HH12      ARG   4  43.240   8.931   6.467
   48   HH21  ARG   4          HH21      ARG   4  44.440  12.033   7.451
   49   HH22  ARG   4          HH22      ARG   4  44.846  10.496   6.765
   50    H    ILE   5           HN       ILE   5  36.361  13.454  10.582
   51    HA   ILE   5           HA       ILE   5  34.190  13.214   9.795
   52    HB   ILE   5           HB       ILE   5  35.039  14.788   7.329
   53   HG12  ILE   5          HG12      ILE   5  34.348  15.788  10.130
   54   HG13  ILE   5          HG11      ILE   5  35.915  15.956   9.304
   55   HG21  ILE   5          HG21      ILE   5  32.434  14.864   8.905
   56   HG22  ILE   5          HG22      ILE   5  32.705  13.723   7.567
   57   HG23  ILE   5          HG23      ILE   5  32.744  15.474   7.262
   58   HD11  ILE   5           HD1      ILE   5  34.578  17.191   7.441
   59   HD12  ILE   5           HD2      ILE   5  34.860  18.056   8.969
   60   HD13  ILE   5           HD3      ILE   5  33.277  17.311   8.650
   61    H    GLY   6           HN       GLY   6  35.313  10.939   9.484
   62    HA2  GLY   6           HA1      GLY   6  35.194   8.978   8.260
   63    HA3  GLY   6           HA2      GLY   6  34.133   9.822   7.114
   64    H    LYS   7           HN       LYS   7  37.550  10.265   8.110
   65    HA   LYS   7           HA       LYS   7  39.471  10.435   6.829
   66    HB2  LYS   7           HB2      LYS   7  38.013   8.623   4.865
   67    HB3  LYS   7           HB1      LYS   7  39.771   8.845   5.025
   68    HG2  LYS   7           HG2      LYS   7  39.585   8.012   7.407
   69    HG3  LYS   7           HG1      LYS   7  37.880   7.618   7.075
   70    HD2  LYS   7           HD2      LYS   7  38.620   6.171   5.172
   71    HD3  LYS   7           HD1      LYS   7  40.313   6.507   5.608
   72    HE2  LYS   7           HE2      LYS   7  39.507   4.349   6.570
   73    HE3  LYS   7           HE1      LYS   7  39.965   5.516   7.833
   74    HZ1  LYS   7           HZ1      LYS   7  37.759   5.951   8.338
   75    HZ2  LYS   7           HZ2      LYS   7  37.741   4.278   8.046
   76    HZ3  LYS   7           HZ3      LYS   7  37.177   5.355   6.860
   77    H    GLY   8           HN       GLY   8  40.418  11.355   4.887
   78    HA2  GLY   8           HA1      GLY   8  38.804  12.403   2.763
   79    HA3  GLY   8           HA2      GLY   8  39.038  13.655   3.998
   80    H    VAL   9           HN       VAL   9  40.105  12.808   1.111
   81    HA   VAL   9           HA       VAL   9  42.960  12.652   1.430
   82    HB   VAL   9           HB       VAL   9  41.308  13.664  -0.930
   83   HG11  VAL   9          HG11      VAL   9  44.244  12.911  -0.618
   84   HG12  VAL   9          HG12      VAL   9  43.571  14.455  -1.195
   85   HG13  VAL   9          HG13      VAL   9  43.430  12.993  -2.198
   86   HG21  VAL   9          HG21      VAL   9  40.849  11.311  -0.201
   87   HG22  VAL   9          HG22      VAL   9  42.582  10.947  -0.374
   88   HG23  VAL   9          HG23      VAL   9  41.620  11.390  -1.803
   89    H    LYS  10           HN       LYS  10  41.544  15.351  -0.383
   90    HA   LYS  10           HA       LYS  10  42.247  17.400   1.522
   91    HB2  LYS  10           HB2      LYS  10  44.550  16.607   0.866
   92    HB3  LYS  10           HB1      LYS  10  44.181  17.089  -0.807
   93    HG2  LYS  10           HG2      LYS  10  43.800  19.408  -0.084
   94    HG3  LYS  10           HG1      LYS  10  44.085  18.947   1.611
   95    HD2  LYS  10           HD2      LYS  10  46.391  18.264   1.053
   96    HD3  LYS  10           HD1      LYS  10  46.112  18.685  -0.653
   97    HE2  LYS  10           HE2      LYS  10  46.055  20.588   1.728
   98    HE3  LYS  10           HE1      LYS  10  47.272  20.541   0.430
   99    HZ1  LYS  10           HZ1      LYS  10  44.422  21.342   0.257
  100    HZ2  LYS  10           HZ2      LYS  10  45.314  20.915  -1.124
  101    HZ3  LYS  10           HZ3      LYS  10  45.799  22.235  -0.171
  102    H    ILE  11           HN       ILE  11  41.441  16.272  -1.675
  103    HA   ILE  11           HA       ILE  11  40.209  18.961  -2.296
  104    HB   ILE  11           HB       ILE  11  41.206  16.971  -4.371
  105   HG12  ILE  11          HG12      ILE  11  42.645  19.362  -3.132
  106   HG13  ILE  11          HG11      ILE  11  43.142  17.657  -3.034
  107   HG21  ILE  11          HG21      ILE  11  40.752  19.977  -4.587
  108   HG22  ILE  11          HG22      ILE  11  39.463  18.792  -4.905
  109   HG23  ILE  11          HG23      ILE  11  40.932  18.796  -5.906
  110   HD11  ILE  11           HD1      ILE  11  43.146  19.494  -5.454
  111   HD12  ILE  11           HD2      ILE  11  43.175  17.723  -5.640
  112   HD13  ILE  11           HD3      ILE  11  44.491  18.550  -4.773
  113    H    ILE  12           HN       ILE  12  40.116  15.454  -3.081
  114    HA   ILE  12           HA       ILE  12  37.348  15.609  -3.986
  115    HB   ILE  12           HB       ILE  12  39.035  13.232  -3.142
  116   HG12  ILE  12          HG12      ILE  12  40.186  14.419  -4.915
  117   HG13  ILE  12          HG11      ILE  12  39.467  12.957  -5.619
  118   HG21  ILE  12          HG21      ILE  12  36.317  13.499  -4.459
  119   HG22  ILE  12          HG22      ILE  12  36.887  12.313  -3.266
  120   HG23  ILE  12          HG23      ILE  12  37.362  12.152  -4.970
  121   HD11  ILE  12           HD1      ILE  12  38.910  14.622  -7.195
  122   HD12  ILE  12           HD2      ILE  12  38.614  15.850  -5.946
  123   HD13  ILE  12           HD3      ILE  12  37.439  14.539  -6.202
  124    H    GLY  13           HN       GLY  13  38.139  13.017  -1.748
  125    HA2  GLY  13           HA1      GLY  13  35.808  13.312  -0.181
  126    HA3  GLY  13           HA2      GLY  13  37.303  12.517   0.355
  127    H    GLY  14           HN       GLY  14  38.460  15.230  -0.572
  128    HA2  GLY  14           HA1      GLY  14  38.590  16.429   2.109
  129    HA3  GLY  14           HA2      GLY  14  39.429  16.981   0.642
  130    H    ALA  15           HN       ALA  15  37.377  17.352  -1.177
  131    HA   ALA  15           HA       ALA  15  36.045  19.741   0.042
  132    HB1  ALA  15           HB1      ALA  15  35.866  18.668  -2.800
  133    HB2  ALA  15           HB2      ALA  15  37.072  19.858  -2.244
  134    HB3  ALA  15           HB3      ALA  15  35.341  20.264  -2.217
  135    H    ALA  16           HN       ALA  16  35.476  16.988   0.863
  136    HA   ALA  16           HA       ALA  16  33.579  15.897   1.603
  137    HB1  ALA  16           HB1      ALA  16  32.538  18.306   1.381
  138    HB2  ALA  16           HB2      ALA  16  31.466  16.893   1.523
  139    HB3  ALA  16           HB3      ALA  16  31.751  17.635  -0.067
  140    H    LEU  17           HN       LEU  17  35.157  15.108  -0.659
  141    HA   LEU  17           HA       LEU  17  35.011  13.641  -2.463
  142    HB2  LEU  17           HB2      LEU  17  33.508  12.574  -0.481
  143    HB3  LEU  17           HB1      LEU  17  32.224  12.773  -1.688
  144    HG   LEU  17           HG       LEU  17  34.869  11.315  -2.177
  145   HD11  LEU  17          HD11      LEU  17  33.576   9.262  -2.013
  146   HD12  LEU  17          HD12      LEU  17  32.068  10.180  -1.784
  147   HD13  LEU  17          HD13      LEU  17  33.325  10.202  -0.524
  148   HD21  LEU  17          HD21      LEU  17  32.308  11.596  -3.816
  149   HD22  LEU  17          HD22      LEU  17  33.637  10.481  -4.205
  150   HD23  LEU  17          HD23      LEU  17  33.914  12.237  -4.239
  151    H    ASP  18           HN       ASP  18  34.398  16.231  -3.117
  152    HA   ASP  18           HA       ASP  18  33.352  17.506  -4.744
  153    HB2  ASP  18           HB2      ASP  18  32.761  14.769  -5.941
  154    HB3  ASP  18           HB1      ASP  18  32.630  16.325  -6.797
  155    H    HIS  19           HN       HIS  19  31.147  14.727  -5.084
  156    HA   HIS  19           HA       HIS  19  29.028  16.066  -3.532
  157    HB2  HIS  19           HB2      HIS  19  27.463  16.237  -5.428
  158    HB3  HIS  19           HB1      HIS  19  28.894  17.261  -5.695
  159    HD1  HIS  19           HD1      HIS  19  30.862  14.919  -6.535
  160    HD2  HIS  19           HD2      HIS  19  27.000  15.493  -8.092
  161    HE1  HIS  19           HE1      HIS  19  30.798  13.816  -8.839
  162    H    LEU  20           HN       LEU  20  30.313  13.642  -3.121
  163    HA   LEU  20           HA       LEU  20  29.881  11.386  -2.833
  164    HB2  LEU  20           HB2      LEU  20  27.763  12.646  -1.859
  165    HB3  LEU  20           HB1      LEU  20  26.924  11.921  -3.247
  166    HG   LEU  20           HG       LEU  20  28.490  10.431  -1.089
  167   HD11  LEU  20          HD11      LEU  20  25.523  10.436  -1.803
  168   HD12  LEU  20          HD12      LEU  20  26.245  11.305  -0.426
  169   HD13  LEU  20          HD13      LEU  20  26.290   9.527  -0.479
  170   HD21  LEU  20          HD21      LEU  20  27.414   8.404  -2.316
  171   HD22  LEU  20          HD22      LEU  20  28.818   9.172  -3.088
  172   HD23  LEU  20          HD23      LEU  20  27.175   9.521  -3.682
  Start of MODEL   54
    1    H1   TRP   1           HT1      TRP   1  25.497  10.477   7.110
    2    H2   TRP   1           HT2      TRP   1  26.131   9.908   5.640
    3    H3   TRP   1           HT3      TRP   1  25.623  11.523   5.783
    4    HA   TRP   1           HA       TRP   1  27.822  11.821   5.994
    5    HB2  TRP   1           HB2      TRP   1  26.919  11.078   8.806
    6    HB3  TRP   1           HB1      TRP   1  28.356  12.046   8.402
    7    HD1  TRP   1           HD1      TRP   1  24.559  12.142   7.578
    8    HE1  TRP   1           HE1      TRP   1  23.758  14.616   7.608
    9    HE3  TRP   1           HE3      TRP   1  29.024  14.425   8.603
   10    HZ2  TRP   1           HZ2      TRP   1  24.926  17.214   8.026
   11    HZ3  TRP   1           HZ3      TRP   1  29.159  16.902   8.813
   12    HH2  TRP   1           HH2      TRP   1  27.115  18.298   8.526
   13    H    LEU   2           HN       LEU   2  29.948  11.071   6.473
   14    HA   LEU   2           HA       LEU   2  30.239   8.211   6.042
   15    HB2  LEU   2           HB2      LEU   2  32.427  10.136   6.893
   16    HB3  LEU   2           HB1      LEU   2  32.582   8.644   5.937
   17    HG   LEU   2           HG       LEU   2  31.141  11.188   5.057
   18   HD11  LEU   2          HD11      LEU   2  32.992  11.453   3.499
   19   HD12  LEU   2          HD12      LEU   2  33.704   9.906   4.016
   20   HD13  LEU   2          HD13      LEU   2  33.660  11.286   5.140
   21   HD21  LEU   2          HD21      LEU   2  30.013   9.361   4.006
   22   HD22  LEU   2          HD22      LEU   2  31.525   8.449   3.777
   23   HD23  LEU   2          HD23      LEU   2  31.202   9.903   2.800
   24    H    ARG   3           HN       ARG   3  29.566  10.032   8.757
   25    HA   ARG   3           HA       ARG   3  29.440   9.480  10.991
   26    HB2  ARG   3           HB2      ARG   3  30.567   6.731  10.359
   27    HB3  ARG   3           HB1      ARG   3  29.550   7.222  11.730
   28    HG2  ARG   3           HG2      ARG   3  27.759   7.860   9.988
   29    HG3  ARG   3           HG1      ARG   3  28.748   6.973   8.804
   30    HD2  ARG   3           HD2      ARG   3  27.337   5.906  11.267
   31    HD3  ARG   3           HD1      ARG   3  27.217   5.342   9.583
   32    HE   ARG   3           HE       ARG   3  29.175   4.459  11.508
   33   HH11  ARG   3          HH11      ARG   3  28.239   4.553   8.247
   34   HH12  ARG   3          HH12      ARG   3  29.721   3.896   7.638
   35   HH21  ARG   3          HH21      ARG   3  31.316   3.944  10.716
   36   HH22  ARG   3          HH22      ARG   3  31.462   3.550   9.036
   37    H    ARG   4           HN       ARG   4  32.431   8.676   9.271
   38    HA   ARG   4           HA       ARG   4  34.051   8.759  11.717
   39    HB2  ARG   4           HB2      ARG   4  34.771   8.749   8.760
   40    HB3  ARG   4           HB1      ARG   4  35.958   8.689  10.086
   41    HG2  ARG   4           HG2      ARG   4  34.812   6.632  10.959
   42    HG3  ARG   4           HG1      ARG   4  33.744   6.665   9.535
   43    HD2  ARG   4           HD2      ARG   4  35.641   6.397   8.032
   44    HD3  ARG   4           HD1      ARG   4  36.787   6.551   9.387
   45    HE   ARG   4           HE       ARG   4  36.410   4.270   9.832
   46   HH11  ARG   4          HH11      ARG   4  35.332   3.960   7.023
   47   HH12  ARG   4          HH12      ARG   4  33.802   3.204   7.320
   48   HH21  ARG   4          HH21      ARG   4  33.757   4.013  10.692
   49   HH22  ARG   4          HH22      ARG   4  32.911   3.234   9.396
   50    H    ILE   5           HN       ILE   5  32.994  10.959   9.181
   51    HA   ILE   5           HA       ILE   5  33.386  13.224   8.862
   52    HB   ILE   5           HB       ILE   5  33.882  13.364  11.866
   53   HG12  ILE   5          HG12      ILE   5  31.226  13.170  10.367
   54   HG13  ILE   5          HG11      ILE   5  31.903  11.933  11.450
   55   HG21  ILE   5          HG21      ILE   5  32.372  15.277  10.039
   56   HG22  ILE   5          HG22      ILE   5  34.127  15.405  10.310
   57   HG23  ILE   5          HG23      ILE   5  33.002  15.583  11.674
   58   HD11  ILE   5           HD1      ILE   5  31.957  13.814  13.249
   59   HD12  ILE   5           HD2      ILE   5  30.373  13.124  12.821
   60   HD13  ILE   5           HD3      ILE   5  30.865  14.697  12.155
   61    H    GLY   6           HN       GLY   6  35.520  12.100   7.966
   62    HA2  GLY   6           HA1      GLY   6  37.615  13.952   8.367
   63    HA3  GLY   6           HA2      GLY   6  37.961  12.552   9.401
   64    H    LYS   7           HN       LYS   7  36.785  10.563   7.693
   65    HA   LYS   7           HA       LYS   7  39.003   9.821   6.139
   66    HB2  LYS   7           HB2      LYS   7  37.055   8.358   6.776
   67    HB3  LYS   7           HB1      LYS   7  36.101   9.159   5.504
   68    HG2  LYS   7           HG2      LYS   7  37.727   8.439   3.797
   69    HG3  LYS   7           HG1      LYS   7  38.732   7.681   5.055
   70    HD2  LYS   7           HD2      LYS   7  36.914   6.131   5.621
   71    HD3  LYS   7           HD1      LYS   7  35.842   6.924   4.440
   72    HE2  LYS   7           HE2      LYS   7  36.752   4.933   3.392
   73    HE3  LYS   7           HE1      LYS   7  37.531   6.347   2.642
   74    HZ1  LYS   7           HZ1      LYS   7  38.959   4.357   3.467
   75    HZ2  LYS   7           HZ2      LYS   7  38.774   5.078   4.995
   76    HZ3  LYS   7           HZ3      LYS   7  39.500   5.943   3.726
   77    H    GLY   8           HN       GLY   8  39.934  11.218   4.734
   78    HA2  GLY   8           HA1      GLY   8  38.611  11.643   2.203
   79    HA3  GLY   8           HA2      GLY   8  38.661  13.142   3.149
   80    H    VAL   9           HN       VAL   9  39.993  14.119   1.578
   81    HA   VAL   9           HA       VAL   9  42.875  13.383   1.908
   82    HB   VAL   9           HB       VAL   9  41.520  13.824  -0.796
   83   HG11  VAL   9          HG11      VAL   9  43.695  14.859  -0.854
   84   HG12  VAL   9          HG12      VAL   9  43.882  13.262  -1.618
   85   HG13  VAL   9          HG13      VAL   9  44.429  13.518   0.057
   86   HG21  VAL   9          HG21      VAL   9  41.151  11.563   0.095
   87   HG22  VAL   9          HG22      VAL   9  42.884  11.403   0.469
   88   HG23  VAL   9          HG23      VAL   9  42.344  11.497  -1.224
   89    H    LYS  10           HN       LYS  10  41.412  15.592  -0.473
   90    HA   LYS  10           HA       LYS  10  41.647  17.942   1.196
   91    HB2  LYS  10           HB2      LYS  10  44.085  17.314   0.816
   92    HB3  LYS  10           HB1      LYS  10  43.820  17.657  -0.909
   93    HG2  LYS  10           HG2      LYS  10  43.081  19.961  -0.326
   94    HG3  LYS  10           HG1      LYS  10  43.395  19.615   1.391
   95    HD2  LYS  10           HD2      LYS  10  45.758  19.297   0.969
   96    HD3  LYS  10           HD1      LYS  10  45.504  19.370  -0.791
   97    HE2  LYS  10           HE2      LYS  10  44.849  21.705  -0.667
   98    HE3  LYS  10           HE1      LYS  10  44.853  21.660   1.112
   99    HZ1  LYS  10           HZ1      LYS  10  47.112  21.703  -0.764
  100    HZ2  LYS  10           HZ2      LYS  10  47.308  20.866   0.701
  101    HZ3  LYS  10           HZ3      LYS  10  46.913  22.518   0.709
  102    H    ILE  11           HN       ILE  11  41.270  16.348  -1.889
  103    HA   ILE  11           HA       ILE  11  40.020  18.848  -3.037
  104    HB   ILE  11           HB       ILE  11  40.996  16.425  -4.596
  105   HG12  ILE  11          HG12      ILE  11  42.883  18.323  -5.175
  106   HG13  ILE  11          HG11      ILE  11  42.525  18.804  -3.502
  107   HG21  ILE  11          HG21      ILE  11  39.338  17.876  -5.705
  108   HG22  ILE  11          HG22      ILE  11  40.929  18.052  -6.481
  109   HG23  ILE  11          HG23      ILE  11  40.339  19.307  -5.365
  110   HD11  ILE  11           HD1      ILE  11  43.635  16.174  -4.536
  111   HD12  ILE  11           HD2      ILE  11  42.840  16.257  -2.950
  112   HD13  ILE  11           HD3      ILE  11  44.287  17.240  -3.271
  113    H    ILE  12           HN       ILE  12  39.767  15.268  -2.941
  114    HA   ILE  12           HA       ILE  12  36.940  15.458  -3.875
  115    HB   ILE  12           HB       ILE  12  38.725  13.072  -3.267
  116   HG12  ILE  12          HG12      ILE  12  37.888  13.925  -6.071
  117   HG13  ILE  12          HG11      ILE  12  39.255  14.746  -5.287
  118   HG21  ILE  12          HG21      ILE  12  36.575  12.133  -3.165
  119   HG22  ILE  12          HG22      ILE  12  36.848  12.024  -4.913
  120   HG23  ILE  12          HG23      ILE  12  35.869  13.351  -4.252
  121   HD11  ILE  12           HD1      ILE  12  39.107  11.713  -5.435
  122   HD12  ILE  12           HD2      ILE  12  40.523  12.742  -5.125
  123   HD13  ILE  12           HD3      ILE  12  39.802  12.686  -6.750
  124    H    GLY  13           HN       GLY  13  37.914  12.814  -1.792
  125    HA2  GLY  13           HA1      GLY  13  35.749  13.099   0.009
  126    HA3  GLY  13           HA2      GLY  13  37.269  12.251   0.362
  127    H    GLY  14           HN       GLY  14  38.415  14.960  -0.571
  128    HA2  GLY  14           HA1      GLY  14  38.770  16.083   2.132
  129    HA3  GLY  14           HA2      GLY  14  39.555  16.618   0.631
  130    H    ALA  15           HN       ALA  15  37.500  17.151  -1.093
  131    HA   ALA  15           HA       ALA  15  36.337  19.570   0.223
  132    HB1  ALA  15           HB1      ALA  15  35.659  20.228  -1.966
  133    HB2  ALA  15           HB2      ALA  15  35.855  18.581  -2.607
  134    HB3  ALA  15           HB3      ALA  15  37.286  19.537  -2.147
  135    H    ALA  16           HN       ALA  16  35.656  16.780   0.979
  136    HA   ALA  16           HA       ALA  16  33.736  15.794   1.806
  137    HB1  ALA  16           HB1      ALA  16  31.691  16.918   1.885
  138    HB2  ALA  16           HB2      ALA  16  31.919  17.677   0.291
  139    HB3  ALA  16           HB3      ALA  16  32.831  18.271   1.699
  140    H    LEU  17           HN       LEU  17  35.116  14.828  -0.399
  141    HA   LEU  17           HA       LEU  17  34.807  13.304  -2.128
  142    HB2  LEU  17           HB2      LEU  17  33.028  12.486  -0.388
  143    HB3  LEU  17           HB1      LEU  17  31.841  13.209  -1.493
  144    HG   LEU  17           HG       LEU  17  33.158  11.802  -3.352
  145   HD11  LEU  17          HD11      LEU  17  33.752  10.268  -0.777
  146   HD12  LEU  17          HD12      LEU  17  34.955  10.988  -1.871
  147   HD13  LEU  17          HD13      LEU  17  33.956   9.624  -2.421
  148   HD21  LEU  17          HD21      LEU  17  30.793  11.452  -2.768
  149   HD22  LEU  17          HD22      LEU  17  31.267  10.542  -1.312
  150   HD23  LEU  17          HD23      LEU  17  31.617   9.883  -2.927
  151    H    ASP  18           HN       ASP  18  34.514  16.183  -2.550
  152    HA   ASP  18           HA       ASP  18  33.916  17.632  -4.251
  153    HB2  ASP  18           HB2      ASP  18  35.035  15.868  -5.613
  154    HB3  ASP  18           HB1      ASP  18  33.458  15.080  -5.847
  155    H    HIS  19           HN       HIS  19  31.747  14.983  -5.278
  156    HA   HIS  19           HA       HIS  19  29.519  16.662  -5.710
  157    HB2  HIS  19           HB2      HIS  19  29.547  13.722  -4.918
  158    HB3  HIS  19           HB1      HIS  19  28.184  14.586  -5.672
  159    HD1  HIS  19           HD1      HIS  19  30.677  12.322  -6.638
  160    HD2  HIS  19           HD2      HIS  19  29.576  16.089  -8.146
  161    HE1  HIS  19           HE1      HIS  19  31.485  12.439  -9.060
  162    H    LEU  20           HN       LEU  20  29.953  14.389  -2.943
  163    HA   LEU  20           HA       LEU  20  29.081  16.395  -1.035
  164    HB2  LEU  20           HB2      LEU  20  26.927  15.580  -0.443
  165    HB3  LEU  20           HB1      LEU  20  26.909  15.726  -2.212
  166    HG   LEU  20           HG       LEU  20  27.234  13.174  -0.570
  167   HD11  LEU  20          HD11      LEU  20  24.930  14.113  -0.911
  168   HD12  LEU  20          HD12      LEU  20  25.162  12.525  -1.682
  169   HD13  LEU  20          HD13      LEU  20  25.188  14.008  -2.669
  170   HD21  LEU  20          HD21      LEU  20  27.240  12.096  -2.915
  171   HD22  LEU  20          HD22      LEU  20  28.743  12.905  -2.420
  172   HD23  LEU  20          HD23      LEU  20  27.625  13.715  -3.542
  Start of MODEL   55
    1    H1   TRP   1           HT1      TRP   1  42.679  18.034  11.318
    2    H2   TRP   1           HT2      TRP   1  43.102  16.892  10.134
    3    H3   TRP   1           HT3      TRP   1  43.870  16.875  11.650
    4    HA   TRP   1           HA       TRP   1  41.631  16.484  12.646
    5    HB2  TRP   1           HB2      TRP   1  41.000  15.638   9.795
    6    HB3  TRP   1           HB1      TRP   1  39.911  15.621  11.204
    7    HD1  TRP   1           HD1      TRP   1  39.819  18.264  12.410
    8    HE1  TRP   1           HE1      TRP   1  39.288  20.492  11.175
    9    HE3  TRP   1           HE3      TRP   1  40.973  16.833   7.632
   10    HZ2  TRP   1           HZ2      TRP   1  39.366  21.483   8.474
   11    HZ3  TRP   1           HZ3      TRP   1  40.738  18.436   5.742
   12    HH2  TRP   1           HH2      TRP   1  39.935  20.758   6.157
   13    H    LEU   2           HN       LEU   2  40.656  14.055  12.316
   14    HA   LEU   2           HA       LEU   2  43.023  12.340  12.714
   15    HB2  LEU   2           HB2      LEU   2  40.110  11.485  12.711
   16    HB3  LEU   2           HB1      LEU   2  41.483  10.737  13.563
   17    HG   LEU   2           HG       LEU   2  40.256  13.471  14.139
   18   HD11  LEU   2          HD11      LEU   2  39.539  12.468  16.229
   19   HD12  LEU   2          HD12      LEU   2  40.433  10.970  15.873
   20   HD13  LEU   2          HD13      LEU   2  39.004  11.406  14.905
   21   HD21  LEU   2          HD21      LEU   2  41.882  13.307  16.156
   22   HD22  LEU   2          HD22      LEU   2  42.594  13.709  14.578
   23   HD23  LEU   2          HD23      LEU   2  42.727  12.053  15.218
   24    H    ARG   3           HN       ARG   3  41.240  13.352  10.082
   25    HA   ARG   3           HA       ARG   3  41.096  12.648   7.894
   26    HB2  ARG   3           HB2      ARG   3  43.401  10.886   8.797
   27    HB3  ARG   3           HB1      ARG   3  42.773  10.836   7.140
   28    HG2  ARG   3           HG2      ARG   3  44.663  12.392   7.263
   29    HG3  ARG   3           HG1      ARG   3  43.166  13.293   6.938
   30    HD2  ARG   3           HD2      ARG   3  43.058  14.148   9.145
   31    HD3  ARG   3           HD1      ARG   3  44.168  12.909   9.782
   32    HE   ARG   3           HE       ARG   3  44.941  15.410   8.466
   33   HH11  ARG   3          HH11      ARG   3  46.457  13.586   6.817
   34   HH12  ARG   3          HH12      ARG   3  47.867  13.233   7.760
   35   HH21  ARG   3          HH21      ARG   3  46.479  14.348  10.735
   36   HH22  ARG   3          HH22      ARG   3  47.879  13.664   9.978
   37    H    ARG   4           HN       ARG   4  40.602  10.397  10.477
   38    HA   ARG   4           HA       ARG   4  39.228   8.461   8.649
   39    HB2  ARG   4           HB2      ARG   4  40.011   8.315  11.588
   40    HB3  ARG   4           HB1      ARG   4  39.110   7.050  10.717
   41    HG2  ARG   4           HG2      ARG   4  40.976   6.829   9.102
   42    HG3  ARG   4           HG1      ARG   4  41.880   8.091   9.975
   43    HD2  ARG   4           HD2      ARG   4  41.892   6.699  12.012
   44    HD3  ARG   4           HD1      ARG   4  40.946   5.445  11.174
   45    HE   ARG   4           HE       ARG   4  43.246   5.891   9.599
   46   HH11  ARG   4          HH11      ARG   4  45.155   6.104  11.515
   47   HH12  ARG   4          HH12      ARG   4  45.341   4.549  12.254
   48   HH21  ARG   4          HH21      ARG   4  42.304   3.339  11.098
   49   HH22  ARG   4          HH22      ARG   4  43.728   2.984  12.019
   50    H    ILE   5           HN       ILE   5  38.640  11.172  10.611
   51    HA   ILE   5           HA       ILE   5  36.234  10.583  11.930
   52    HB   ILE   5           HB       ILE   5  37.447  12.768  12.070
   53   HG12  ILE   5          HG12      ILE   5  34.527  13.044  11.211
   54   HG13  ILE   5          HG11      ILE   5  35.057  12.479  12.812
   55   HG21  ILE   5          HG21      ILE   5  36.055  13.455   9.451
   56   HG22  ILE   5          HG22      ILE   5  37.746  12.903   9.521
   57   HG23  ILE   5          HG23      ILE   5  37.268  14.412  10.333
   58   HD11  ILE   5           HD1      ILE   5  35.426  15.225  11.567
   59   HD12  ILE   5           HD2      ILE   5  36.401  14.690  12.956
   60   HD13  ILE   5           HD3      ILE   5  34.632  14.803  13.100
   61    H    GLY   6           HN       GLY   6  36.863  10.940   8.499
   62    HA2  GLY   6           HA1      GLY   6  34.324   9.785   7.815
   63    HA3  GLY   6           HA2      GLY   6  34.274  11.541   7.559
   64    H    LYS   7           HN       LYS   7  37.362  10.043   7.238
   65    HA   LYS   7           HA       LYS   7  38.732   9.771   5.391
   66    HB2  LYS   7           HB2      LYS   7  36.138   8.952   4.021
   67    HB3  LYS   7           HB1      LYS   7  37.786   8.607   3.445
   68    HG2  LYS   7           HG2      LYS   7  38.252   7.179   5.314
   69    HG3  LYS   7           HG1      LYS   7  36.808   7.734   6.191
   70    HD2  LYS   7           HD2      LYS   7  36.486   5.479   5.165
   71    HD3  LYS   7           HD1      LYS   7  35.341   6.685   4.532
   72    HE2  LYS   7           HE2      LYS   7  36.533   5.136   2.817
   73    HE3  LYS   7           HE1      LYS   7  36.502   6.880   2.470
   74    HZ1  LYS   7           HZ1      LYS   7  38.740   5.919   4.070
   75    HZ2  LYS   7           HZ2      LYS   7  38.705   7.077   2.828
   76    HZ3  LYS   7           HZ3      LYS   7  38.724   5.421   2.449
   77    H    GLY   8           HN       GLY   8  39.646  11.502   4.526
   78    HA2  GLY   8           HA1      GLY   8  38.279  12.930   2.358
   79    HA3  GLY   8           HA2      GLY   8  38.516  13.903   3.823
   80    H    VAL   9           HN       VAL   9  39.865  12.826   0.912
   81    HA   VAL   9           HA       VAL   9  42.643  12.751   1.538
   82    HB   VAL   9           HB       VAL   9  41.297  13.715  -1.027
   83   HG11  VAL   9          HG11      VAL   9  43.524  12.925  -2.014
   84   HG12  VAL   9          HG12      VAL   9  44.144  12.871  -0.346
   85   HG13  VAL   9          HG13      VAL   9  43.602  14.416  -1.045
   86   HG21  VAL   9          HG21      VAL   9  40.665  11.405  -0.277
   87   HG22  VAL   9          HG22      VAL   9  42.392  10.974  -0.244
   88   HG23  VAL   9          HG23      VAL   9  41.611  11.403  -1.785
   89    H    LYS  10           HN       LYS  10  41.261  15.419  -0.391
   90    HA   LYS  10           HA       LYS  10  41.979  17.488   1.493
   91    HB2  LYS  10           HB2      LYS  10  44.268  16.672   0.768
   92    HB3  LYS  10           HB1      LYS  10  43.861  17.212  -0.878
   93    HG2  LYS  10           HG2      LYS  10  43.502  19.507  -0.063
   94    HG3  LYS  10           HG1      LYS  10  43.844  18.984   1.605
   95    HD2  LYS  10           HD2      LYS  10  46.128  18.362   0.987
   96    HD3  LYS  10           HD1      LYS  10  45.801  18.741  -0.721
   97    HE2  LYS  10           HE2      LYS  10  46.990  20.617   0.335
   98    HE3  LYS  10           HE1      LYS  10  45.329  21.108  -0.078
   99    HZ1  LYS  10           HZ1      LYS  10  45.876  19.972   2.583
  100    HZ2  LYS  10           HZ2      LYS  10  44.683  21.085   2.107
  101    HZ3  LYS  10           HZ3      LYS  10  46.298  21.586   2.278
  102    H    ILE  11           HN       ILE  11  41.246  16.380  -1.754
  103    HA   ILE  11           HA       ILE  11  39.778  18.966  -2.261
  104    HB   ILE  11           HB       ILE  11  41.186  17.344  -4.420
  105   HG12  ILE  11          HG12      ILE  11  42.168  19.816  -2.920
  106   HG13  ILE  11          HG11      ILE  11  42.894  18.194  -2.860
  107   HG21  ILE  11          HG21      ILE  11  40.734  19.237  -5.819
  108   HG22  ILE  11          HG22      ILE  11  40.304  20.261  -4.427
  109   HG23  ILE  11          HG23      ILE  11  39.222  18.940  -4.931
  110   HD11  ILE  11           HD1      ILE  11  43.113  18.413  -5.449
  111   HD12  ILE  11           HD2      ILE  11  44.229  19.363  -4.439
  112   HD13  ILE  11           HD3      ILE  11  42.817  20.149  -5.183
  113    H    ILE  12           HN       ILE  12  40.220  15.529  -3.109
  114    HA   ILE  12           HA       ILE  12  37.605  15.325  -4.384
  115    HB   ILE  12           HB       ILE  12  39.484  13.205  -3.298
  116   HG12  ILE  12          HG12      ILE  12  39.182  14.236  -6.161
  117   HG13  ILE  12          HG11      ILE  12  40.455  14.769  -5.041
  118   HG21  ILE  12          HG21      ILE  12  37.289  12.234  -3.653
  119   HG22  ILE  12          HG22      ILE  12  38.280  11.758  -5.044
  120   HG23  ILE  12          HG23      ILE  12  37.103  13.080  -5.206
  121   HD11  ILE  12           HD1      ILE  12  40.122  12.105  -6.429
  122   HD12  ILE  12           HD2      ILE  12  40.895  12.120  -4.825
  123   HD13  ILE  12           HD3      ILE  12  41.593  13.063  -6.159
  124    H    GLY  13           HN       GLY  13  38.570  12.981  -1.910
  125    HA2  GLY  13           HA1      GLY  13  35.992  12.951  -0.670
  126    HA3  GLY  13           HA2      GLY  13  37.502  12.333   0.041
  127    H    GLY  14           HN       GLY  14  38.352  15.190  -0.907
  128    HA2  GLY  14           HA1      GLY  14  38.124  16.438   1.756
  129    HA3  GLY  14           HA2      GLY  14  39.012  17.062   0.347
  130    H    ALA  15           HN       ALA  15  37.046  17.066  -1.631
  131    HA   ALA  15           HA       ALA  15  35.364  19.336  -0.638
  132    HB1  ALA  15           HB1      ALA  15  36.501  19.501  -2.849
  133    HB2  ALA  15           HB2      ALA  15  34.730  19.603  -2.986
  134    HB3  ALA  15           HB3      ALA  15  35.567  18.092  -3.412
  135    H    ALA  16           HN       ALA  16  35.067  16.612   0.344
  136    HA   ALA  16           HA       ALA  16  33.292  15.294   0.999
  137    HB1  ALA  16           HB1      ALA  16  31.077  16.015   0.750
  138    HB2  ALA  16           HB2      ALA  16  31.379  16.751  -0.841
  139    HB3  ALA  16           HB3      ALA  16  31.979  17.544   0.635
  140    H    LEU  17           HN       LEU  17  35.095  14.667  -1.153
  141    HA   LEU  17           HA       LEU  17  35.244  13.139  -2.902
  142    HB2  LEU  17           HB2      LEU  17  33.754  11.937  -0.995
  143    HB3  LEU  17           HB1      LEU  17  32.534  11.964  -2.282
  144    HG   LEU  17           HG       LEU  17  35.356  10.827  -2.600
  145   HD11  LEU  17          HD11      LEU  17  33.953   9.550  -0.973
  146   HD12  LEU  17          HD12      LEU  17  34.285   8.626  -2.458
  147   HD13  LEU  17          HD13      LEU  17  32.694   9.389  -2.221
  148   HD21  LEU  17          HD21      LEU  17  34.305   9.779  -4.640
  149   HD22  LEU  17          HD22      LEU  17  34.390  11.553  -4.727
  150   HD23  LEU  17          HD23      LEU  17  32.847  10.753  -4.340
  151    H    ASP  18           HN       ASP  18  34.383  15.622  -3.665
  152    HA   ASP  18           HA       ASP  18  33.202  16.760  -5.316
  153    HB2  ASP  18           HB2      ASP  18  33.263  14.059  -6.713
  154    HB3  ASP  18           HB1      ASP  18  33.159  15.665  -7.474
  155    H    HIS  19           HN       HIS  19  31.517  15.932  -3.272
  156    HA   HIS  19           HA       HIS  19  29.273  15.557  -2.812
  157    HB2  HIS  19           HB2      HIS  19  28.855  16.305  -5.732
  158    HB3  HIS  19           HB1      HIS  19  27.666  16.418  -4.412
  159    HD1  HIS  19           HD1      HIS  19  30.606  18.157  -5.956
  160    HD2  HIS  19           HD2      HIS  19  28.306  18.482  -2.451
  161    HE1  HIS  19           HE1      HIS  19  31.106  20.439  -4.925
  162    H    LEU  20           HN       LEU  20  30.690  13.248  -3.334
  163    HA   LEU  20           HA       LEU  20  30.381  11.026  -3.911
  164    HB2  LEU  20           HB2      LEU  20  28.243  11.520  -2.598
  165    HB3  LEU  20           HB1      LEU  20  27.436  11.733  -4.166
  166    HG   LEU  20           HG       LEU  20  28.463   9.351  -4.728
  167   HD11  LEU  20          HD11      LEU  20  28.542   7.905  -2.655
  168   HD12  LEU  20          HD12      LEU  20  28.514   9.386  -1.673
  169   HD13  LEU  20          HD13      LEU  20  29.881   9.067  -2.764
  170   HD21  LEU  20          HD21      LEU  20  26.050   9.803  -4.523
  171   HD22  LEU  20          HD22      LEU  20  26.169   9.716  -2.749
  172   HD23  LEU  20          HD23      LEU  20  26.455   8.261  -3.734
  Start of MODEL   56
    1    H1   TRP   1           HT1      TRP   1  45.598  12.490  13.626
    2    H2   TRP   1           HT2      TRP   1  46.570  11.098  13.548
    3    H3   TRP   1           HT3      TRP   1  45.847  11.554  15.017
    4    HA   TRP   1           HA       TRP   1  44.776  10.111  12.781
    5    HB2  TRP   1           HB2      TRP   1  44.042  10.398  15.722
    6    HB3  TRP   1           HB1      TRP   1  43.293   9.247  14.590
    7    HD1  TRP   1           HD1      TRP   1  45.208   7.620  13.271
    8    HE1  TRP   1           HE1      TRP   1  47.225   6.362  14.327
    9    HE3  TRP   1           HE3      TRP   1  45.693  10.346  17.576
   10    HZ2  TRP   1           HZ2      TRP   1  48.812   6.544  16.723
   11    HZ3  TRP   1           HZ3      TRP   1  47.466   9.787  19.232
   12    HH2  TRP   1           HH2      TRP   1  49.025   7.891  18.809
   13    H    LEU   2           HN       LEU   2  43.133  10.711  11.535
   14    HA   LEU   2           HA       LEU   2  41.841  13.275  11.935
   15    HB2  LEU   2           HB2      LEU   2  40.851  11.061  10.114
   16    HB3  LEU   2           HB1      LEU   2  40.693  12.822   9.906
   17    HG   LEU   2           HG       LEU   2  43.277  11.206   9.782
   18   HD11  LEU   2          HD11      LEU   2  41.727  11.063   7.802
   19   HD12  LEU   2          HD12      LEU   2  43.284  11.840   7.426
   20   HD13  LEU   2          HD13      LEU   2  41.825  12.834   7.651
   21   HD21  LEU   2          HD21      LEU   2  44.185  13.505   9.002
   22   HD22  LEU   2          HD22      LEU   2  43.868  13.315  10.740
   23   HD23  LEU   2          HD23      LEU   2  42.710  14.199   9.716
   24    H    ARG   3           HN       ARG   3  40.347  10.060  11.610
   25    HA   ARG   3           HA       ARG   3  38.867  10.264  14.093
   26    HB2  ARG   3           HB2      ARG   3  37.619  11.927  12.660
   27    HB3  ARG   3           HB1      ARG   3  37.265  10.607  11.522
   28    HG2  ARG   3           HG2      ARG   3  36.004   9.396  13.184
   29    HG3  ARG   3           HG1      ARG   3  36.546  10.488  14.480
   30    HD2  ARG   3           HD2      ARG   3  35.384  12.382  13.310
   31    HD3  ARG   3           HD1      ARG   3  34.756  11.214  12.121
   32    HE   ARG   3           HE       ARG   3  33.655  11.662  14.731
   33   HH11  ARG   3          HH11      ARG   3  32.007  10.388  12.705
   34   HH12  ARG   3          HH12      ARG   3  31.944   8.730  13.204
   35   HH21  ARG   3          HH21      ARG   3  34.679   8.986  15.320
   36   HH22  ARG   3          HH22      ARG   3  33.456   7.937  14.684
   37    H    ARG   4           HN       ARG   4  40.003   8.862  11.268
   38    HA   ARG   4           HA       ARG   4  39.630   6.179  12.200
   39    HB2  ARG   4           HB2      ARG   4  38.099   5.379  10.391
   40    HB3  ARG   4           HB1      ARG   4  37.292   6.475  11.540
   41    HG2  ARG   4           HG2      ARG   4  37.725   8.377   9.958
   42    HG3  ARG   4           HG1      ARG   4  38.391   7.208   8.790
   43    HD2  ARG   4           HD2      ARG   4  35.589   6.996   9.967
   44    HD3  ARG   4           HD1      ARG   4  35.946   7.798   8.419
   45    HE   ARG   4           HE       ARG   4  35.780   4.948   8.824
   46   HH11  ARG   4          HH11      ARG   4  35.837   6.913   6.321
   47   HH12  ARG   4          HH12      ARG   4  37.086   6.136   5.405
   48   HH21  ARG   4          HH21      ARG   4  38.150   4.149   8.040
   49   HH22  ARG   4          HH22      ARG   4  38.395   4.570   6.378
   50    H    ILE   5           HN       ILE   5  41.175   8.502  10.597
   51    HA   ILE   5           HA       ILE   5  42.896   8.513   9.043
   52    HB   ILE   5           HB       ILE   5  42.945   5.473   9.257
   53   HG12  ILE   5          HG12      ILE   5  44.204   7.548  11.114
   54   HG13  ILE   5          HG11      ILE   5  42.854   6.467  11.533
   55   HG21  ILE   5          HG21      ILE   5  44.379   6.770   7.548
   56   HG22  ILE   5          HG22      ILE   5  45.255   5.695   8.659
   57   HG23  ILE   5          HG23      ILE   5  45.241   7.452   8.947
   58   HD11  ILE   5           HD1      ILE   5  44.454   4.526  10.867
   59   HD12  ILE   5           HD2      ILE   5  44.769   5.366  12.404
   60   HD13  ILE   5           HD3      ILE   5  45.749   5.745  10.968
   61    H    GLY   6           HN       GLY   6  40.743   8.997   7.763
   62    HA2  GLY   6           HA1      GLY   6  41.096   8.117   5.135
   63    HA3  GLY   6           HA2      GLY   6  39.915   6.997   5.842
   64    H    LYS   7           HN       LYS   7  40.015  10.192   7.144
   65    HA   LYS   7           HA       LYS   7  37.300  10.739   6.625
   66    HB2  LYS   7           HB2      LYS   7  39.101  11.914   8.170
   67    HB3  LYS   7           HB1      LYS   7  39.330  12.987   6.775
   68    HG2  LYS   7           HG2      LYS   7  36.705  12.447   8.241
   69    HG3  LYS   7           HG1      LYS   7  37.663  13.946   8.300
   70    HD2  LYS   7           HD2      LYS   7  37.366  14.008   5.713
   71    HD3  LYS   7           HD1      LYS   7  36.090  12.792   5.967
   72    HE2  LYS   7           HE2      LYS   7  36.208  15.564   7.234
   73    HE3  LYS   7           HE1      LYS   7  35.106  15.045   5.935
   74    HZ1  LYS   7           HZ1      LYS   7  34.369  13.258   7.549
   75    HZ2  LYS   7           HZ2      LYS   7  33.894  14.847   7.916
   76    HZ3  LYS   7           HZ3      LYS   7  35.183  14.127   8.756
   77    H    GLY   8           HN       GLY   8  40.091  12.326   4.992
   78    HA2  GLY   8           HA1      GLY   8  38.889  11.976   2.367
   79    HA3  GLY   8           HA2      GLY   8  38.697  13.632   2.977
   80    H    VAL   9           HN       VAL   9  40.171  12.822   0.646
   81    HA   VAL   9           HA       VAL   9  42.997  12.736   1.262
   82    HB   VAL   9           HB       VAL   9  41.557  13.569  -1.298
   83   HG11  VAL   9          HG11      VAL   9  43.826  12.932  -2.314
   84   HG12  VAL   9          HG12      VAL   9  44.477  12.979  -0.658
   85   HG13  VAL   9          HG13      VAL   9  43.795  14.452  -1.389
   86   HG21  VAL   9          HG21      VAL   9  41.944  11.291  -2.019
   87   HG22  VAL   9          HG22      VAL   9  41.177  11.213  -0.414
   88   HG23  VAL   9          HG23      VAL   9  42.929  10.945  -0.578
   89    H    LYS  10           HN       LYS  10  41.572  15.305  -0.754
   90    HA   LYS  10           HA       LYS  10  42.127  17.433   1.111
   91    HB2  LYS  10           HB2      LYS  10  44.466  16.853   0.683
   92    HB3  LYS  10           HB1      LYS  10  44.192  16.916  -1.070
   93    HG2  LYS  10           HG2      LYS  10  45.305  18.970  -0.182
   94    HG3  LYS  10           HG1      LYS  10  43.750  19.324  -0.962
   95    HD2  LYS  10           HD2      LYS  10  42.657  19.720   1.104
   96    HD3  LYS  10           HD1      LYS  10  43.886  18.833   2.036
   97    HE2  LYS  10           HE2      LYS  10  44.454  21.426   0.539
   98    HE3  LYS  10           HE1      LYS  10  44.006  21.359   2.261
   99    HZ1  LYS  10           HZ1      LYS  10  46.524  21.189   1.326
  100    HZ2  LYS  10           HZ2      LYS  10  46.128  19.545   1.489
  101    HZ3  LYS  10           HZ3      LYS  10  46.016  20.585   2.828
  102    H    ILE  11           HN       ILE  11  41.245  16.127  -1.946
  103    HA   ILE  11           HA       ILE  11  40.095  18.795  -2.780
  104    HB   ILE  11           HB       ILE  11  40.907  16.567  -4.690
  105   HG12  ILE  11          HG12      ILE  11  42.512  19.001  -3.783
  106   HG13  ILE  11          HG11      ILE  11  42.928  17.296  -3.495
  107   HG21  ILE  11          HG21      ILE  11  39.225  18.419  -5.321
  108   HG22  ILE  11          HG22      ILE  11  40.638  18.238  -6.384
  109   HG23  ILE  11          HG23      ILE  11  40.587  19.555  -5.189
  110   HD11  ILE  11           HD1      ILE  11  42.847  17.046  -6.088
  111   HD12  ILE  11           HD2      ILE  11  44.239  17.898  -5.380
  112   HD13  ILE  11           HD3      ILE  11  42.912  18.825  -6.120
  113    H    ILE  12           HN       ILE  12  39.808  15.231  -3.130
  114    HA   ILE  12           HA       ILE  12  36.982  15.466  -3.917
  115    HB   ILE  12           HB       ILE  12  38.694  13.070  -3.168
  116   HG12  ILE  12          HG12      ILE  12  37.877  13.779  -6.016
  117   HG13  ILE  12          HG11      ILE  12  39.265  14.608  -5.279
  118   HG21  ILE  12          HG21      ILE  12  36.520  12.197  -3.010
  119   HG22  ILE  12          HG22      ILE  12  36.794  11.967  -4.746
  120   HG23  ILE  12          HG23      ILE  12  35.846  13.358  -4.177
  121   HD11  ILE  12           HD1      ILE  12  39.043  11.575  -5.246
  122   HD12  ILE  12           HD2      ILE  12  40.485  12.589  -5.008
  123   HD13  ILE  12           HD3      ILE  12  39.753  12.449  -6.623
  124    H    GLY  13           HN       GLY  13  37.926  12.935  -1.659
  125    HA2  GLY  13           HA1      GLY  13  35.732  13.345   0.094
  126    HA3  GLY  13           HA2      GLY  13  37.242  12.504   0.515
  127    H    GLY  14           HN       GLY  14  38.396  15.142  -0.607
  128    HA2  GLY  14           HA1      GLY  14  38.816  16.420   2.009
  129    HA3  GLY  14           HA2      GLY  14  39.550  16.879   0.457
  130    H    ALA  15           HN       ALA  15  37.395  17.321  -1.211
  131    HA   ALA  15           HA       ALA  15  36.262  19.786   0.066
  132    HB1  ALA  15           HB1      ALA  15  37.153  19.775  -2.306
  133    HB2  ALA  15           HB2      ALA  15  35.484  20.363  -2.131
  134    HB3  ALA  15           HB3      ALA  15  35.785  18.719  -2.740
  135    H    ALA  16           HN       ALA  16  35.629  17.064   0.950
  136    HA   ALA  16           HA       ALA  16  33.738  16.060   1.821
  137    HB1  ALA  16           HB1      ALA  16  32.801  18.519   1.659
  138    HB2  ALA  16           HB2      ALA  16  31.676  17.159   1.888
  139    HB3  ALA  16           HB3      ALA  16  31.881  17.882   0.276
  140    H    LEU  17           HN       LEU  17  35.098  15.060  -0.398
  141    HA   LEU  17           HA       LEU  17  34.771  13.461  -2.053
  142    HB2  LEU  17           HB2      LEU  17  32.990  12.719  -0.269
  143    HB3  LEU  17           HB1      LEU  17  31.807  13.372  -1.421
  144    HG   LEU  17           HG       LEU  17  33.177  11.884  -3.188
  145   HD11  LEU  17          HD11      LEU  17  33.687  10.464  -0.532
  146   HD12  LEU  17          HD12      LEU  17  34.930  11.170  -1.590
  147   HD13  LEU  17          HD13      LEU  17  33.980   9.773  -2.144
  148   HD21  LEU  17          HD21      LEU  17  31.647   9.949  -2.637
  149   HD22  LEU  17          HD22      LEU  17  30.817  11.521  -2.717
  150   HD23  LEU  17          HD23      LEU  17  31.197  10.795  -1.137
  151    H    ASP  18           HN       ASP  18  34.280  16.403  -2.458
  152    HA   ASP  18           HA       ASP  18  33.635  17.794  -4.191
  153    HB2  ASP  18           HB2      ASP  18  34.962  16.148  -5.511
  154    HB3  ASP  18           HB1      ASP  18  33.475  15.215  -5.801
  155    H    HIS  19           HN       HIS  19  31.757  14.946  -5.268
  156    HA   HIS  19           HA       HIS  19  29.416  16.344  -5.898
  157    HB2  HIS  19           HB2      HIS  19  29.581  13.529  -4.750
  158    HB3  HIS  19           HB1      HIS  19  28.255  14.198  -5.732
  159    HD1  HIS  19           HD1      HIS  19  31.529  12.508  -5.972
  160    HD2  HIS  19           HD2      HIS  19  29.214  14.991  -8.454
  161    HE1  HIS  19           HE1      HIS  19  32.404  12.233  -8.357
  162    H    LEU  20           HN       LEU  20  29.766  14.333  -2.936
  163    HA   LEU  20           HA       LEU  20  27.538  15.728  -1.658
  164    HB2  LEU  20           HB2      LEU  20  29.572  13.934  -0.290
  165    HB3  LEU  20           HB1      LEU  20  27.876  14.230   0.161
  166    HG   LEU  20           HG       LEU  20  28.847  12.796  -2.352
  167   HD11  LEU  20          HD11      LEU  20  27.936  10.800  -1.321
  168   HD12  LEU  20          HD12      LEU  20  27.272  11.742   0.035
  169   HD13  LEU  20          HD13      LEU  20  29.034  11.563  -0.148
  170   HD21  LEU  20          HD21      LEU  20  26.819  13.908  -2.957
  171   HD22  LEU  20          HD22      LEU  20  26.085  13.617  -1.362
  172   HD23  LEU  20          HD23      LEU  20  26.309  12.268  -2.501
  Start of MODEL   57
    1    H1   TRP   1           HT1      TRP   1  37.357   2.485  -4.321
    2    H2   TRP   1           HT2      TRP   1  38.887   3.121  -3.943
    3    H3   TRP   1           HT3      TRP   1  37.514   4.122  -3.912
    4    HA   TRP   1           HA       TRP   1  36.598   2.898  -2.093
    5    HB2  TRP   1           HB2      TRP   1  39.229   1.381  -1.987
    6    HB3  TRP   1           HB1      TRP   1  37.721   1.058  -1.096
    7    HD1  TRP   1           HD1      TRP   1  39.551   0.090  -4.155
    8    HE1  TRP   1           HE1      TRP   1  38.071  -1.350  -5.735
    9    HE3  TRP   1           HE3      TRP   1  35.000   0.898  -1.955
   10    HZ2  TRP   1           HZ2      TRP   1  35.286  -2.039  -5.981
   11    HZ3  TRP   1           HZ3      TRP   1  32.945  -0.161  -2.878
   12    HH2  TRP   1           HH2      TRP   1  33.083  -1.627  -4.887
   13    H    LEU   2           HN       LEU   2  37.524   5.382  -2.342
   14    HA   LEU   2           HA       LEU   2  38.489   7.108  -1.126
   15    HB2  LEU   2           HB2      LEU   2  39.109   5.071   1.030
   16    HB3  LEU   2           HB1      LEU   2  38.847   6.818   1.214
   17    HG   LEU   2           HG       LEU   2  36.766   4.743   0.392
   18   HD11  LEU   2          HD11      LEU   2  36.894   6.582   2.819
   19   HD12  LEU   2          HD12      LEU   2  37.424   4.882   2.830
   20   HD13  LEU   2          HD13      LEU   2  35.718   5.281   2.513
   21   HD21  LEU   2          HD21      LEU   2  36.194   6.701  -0.841
   22   HD22  LEU   2          HD22      LEU   2  36.710   7.788   0.472
   23   HD23  LEU   2          HD23      LEU   2  35.221   6.827   0.640
   24    H    ARG   3           HN       ARG   3  40.171   4.426  -2.160
   25    HA   ARG   3           HA       ARG   3  42.386   4.018  -2.653
   26    HB2  ARG   3           HB2      ARG   3  42.447   7.050  -2.428
   27    HB3  ARG   3           HB1      ARG   3  43.882   6.100  -2.870
   28    HG2  ARG   3           HG2      ARG   3  42.706   6.870  -4.893
   29    HG3  ARG   3           HG1      ARG   3  42.627   5.098  -4.768
   30    HD2  ARG   3           HD2      ARG   3  40.344   5.118  -4.156
   31    HD3  ARG   3           HD1      ARG   3  40.398   6.817  -3.626
   32    HE   ARG   3           HE       ARG   3  40.980   6.621  -6.447
   33   HH11  ARG   3          HH11      ARG   3  38.400   5.083  -5.193
   34   HH12  ARG   3          HH12      ARG   3  37.182   6.159  -5.792
   35   HH21  ARG   3          HH21      ARG   3  39.442   8.604  -6.759
   36   HH22  ARG   3          HH22      ARG   3  37.772   8.153  -6.678
   37    H    ARG   4           HN       ARG   4  42.916   6.777  -0.432
   38    HA   ARG   4           HA       ARG   4  44.925   5.274   1.028
   39    HB2  ARG   4           HB2      ARG   4  43.533   7.921   1.580
   40    HB3  ARG   4           HB1      ARG   4  44.869   7.272   2.562
   41    HG2  ARG   4           HG2      ARG   4  46.347   7.247   0.611
   42    HG3  ARG   4           HG1      ARG   4  45.011   7.766  -0.444
   43    HD2  ARG   4           HD2      ARG   4  46.523   9.656   0.227
   44    HD3  ARG   4           HD1      ARG   4  44.836   9.894   0.741
   45    HE   ARG   4           HE       ARG   4  46.506   8.606   2.778
   46   HH11  ARG   4          HH11      ARG   4  46.168  11.628   1.228
   47   HH12  ARG   4          HH12      ARG   4  46.122  12.544   2.697
   48   HH21  ARG   4          HH21      ARG   4  46.126   9.751   4.752
   49   HH22  ARG   4          HH22      ARG   4  46.099  11.482   4.693
   50    H    ILE   5           HN       ILE   5  41.889   4.448   0.931
   51    HA   ILE   5           HA       ILE   5  40.330   3.590   2.430
   52    HB   ILE   5           HB       ILE   5  42.732   2.932   4.185
   53   HG12  ILE   5          HG12      ILE   5  41.774   1.560   1.630
   54   HG13  ILE   5          HG11      ILE   5  43.322   2.407   1.853
   55   HG21  ILE   5          HG21      ILE   5  40.268   1.265   3.530
   56   HG22  ILE   5          HG22      ILE   5  40.302   2.420   4.883
   57   HG23  ILE   5          HG23      ILE   5  41.427   1.043   4.862
   58   HD11  ILE   5           HD1      ILE   5  43.727   0.744   3.815
   59   HD12  ILE   5           HD2      ILE   5  43.868   0.115   2.156
   60   HD13  ILE   5           HD3      ILE   5  42.397  -0.201   3.104
   61    H    GLY   6           HN       GLY   6  40.019   6.114   2.759
   62    HA2  GLY   6           HA1      GLY   6  39.590   6.434   5.644
   63    HA3  GLY   6           HA2      GLY   6  40.789   7.553   4.965
   64    H    LYS   7           HN       LYS   7  39.941   8.473   2.699
   65    HA   LYS   7           HA       LYS   7  37.082   8.938   2.559
   66    HB2  LYS   7           HB2      LYS   7  37.171  11.388   3.072
   67    HB3  LYS   7           HB1      LYS   7  37.466  10.358   4.494
   68    HG2  LYS   7           HG2      LYS   7  39.944  10.625   4.093
   69    HG3  LYS   7           HG1      LYS   7  39.561  11.793   2.806
   70    HD2  LYS   7           HD2      LYS   7  38.450  13.268   4.388
   71    HD3  LYS   7           HD1      LYS   7  38.610  12.063   5.689
   72    HE2  LYS   7           HE2      LYS   7  40.992  13.266   4.221
   73    HE3  LYS   7           HE1      LYS   7  40.342  13.928   5.741
   74    HZ1  LYS   7           HZ1      LYS   7  40.801  11.068   5.759
   75    HZ2  LYS   7           HZ2      LYS   7  41.191  12.243   6.923
   76    HZ3  LYS   7           HZ3      LYS   7  42.209  11.997   5.586
   77    H    GLY   8           HN       GLY   8  40.383  10.011   1.773
   78    HA2  GLY   8           HA1      GLY   8  40.174   9.750  -0.981
   79    HA3  GLY   8           HA2      GLY   8  39.561  11.385  -0.660
   80    H    VAL   9           HN       VAL   9  41.312  12.240  -1.877
   81    HA   VAL   9           HA       VAL   9  44.060  11.767  -0.977
   82    HB   VAL   9           HB       VAL   9  42.954  13.948  -2.804
   83   HG11  VAL   9          HG11      VAL   9  45.157  14.536  -2.004
   84   HG12  VAL   9          HG12      VAL   9  45.354  13.889  -3.651
   85   HG13  VAL   9          HG13      VAL   9  45.750  12.876  -2.243
   86   HG21  VAL   9          HG21      VAL   9  42.455  11.631  -3.596
   87   HG22  VAL   9          HG22      VAL   9  44.186  11.235  -3.469
   88   HG23  VAL   9          HG23      VAL   9  43.636  12.456  -4.642
   89    H    LYS  10           HN       LYS  10  42.039  14.737  -1.153
   90    HA   LYS  10           HA       LYS  10  42.608  15.475   1.583
   91    HB2  LYS  10           HB2      LYS  10  44.857  15.882   0.466
   92    HB3  LYS  10           HB1      LYS  10  44.055  17.135  -0.513
   93    HG2  LYS  10           HG2      LYS  10  43.307  18.250   1.613
   94    HG3  LYS  10           HG1      LYS  10  44.257  17.054   2.529
   95    HD2  LYS  10           HD2      LYS  10  46.316  17.784   1.399
   96    HD3  LYS  10           HD1      LYS  10  45.387  18.940   0.414
   97    HE2  LYS  10           HE2      LYS  10  45.479  18.982   3.460
   98    HE3  LYS  10           HE1      LYS  10  46.510  19.989   2.417
   99    HZ1  LYS  10           HZ1      LYS  10  43.885  20.483   3.231
  100    HZ2  LYS  10           HZ2      LYS  10  43.836  20.200   1.557
  101    HZ3  LYS  10           HZ3      LYS  10  44.845  21.412   2.188
  102    H    ILE  11           HN       ILE  11  42.261  17.142  -1.596
  103    HA   ILE  11           HA       ILE  11  40.207  18.906  -0.439
  104    HB   ILE  11           HB       ILE  11  39.998  19.789  -2.752
  105   HG12  ILE  11          HG12      ILE  11  42.178  17.724  -3.324
  106   HG13  ILE  11          HG11      ILE  11  40.532  17.733  -3.997
  107   HG21  ILE  11          HG21      ILE  11  41.741  20.580  -1.033
  108   HG22  ILE  11          HG22      ILE  11  42.107  20.952  -2.731
  109   HG23  ILE  11          HG23      ILE  11  42.926  19.594  -1.922
  110   HD11  ILE  11           HD1      ILE  11  41.852  18.700  -5.714
  111   HD12  ILE  11           HD2      ILE  11  42.819  19.648  -4.562
  112   HD13  ILE  11           HD3      ILE  11  41.131  20.108  -4.898
  113    H    ILE  12           HN       ILE  12  40.098  15.775  -1.230
  114    HA   ILE  12           HA       ILE  12  37.754  15.676  -2.947
  115    HB   ILE  12           HB       ILE  12  38.879  13.725  -0.925
  116   HG12  ILE  12          HG12      ILE  12  40.570  14.179  -2.586
  117   HG13  ILE  12          HG11      ILE  12  39.889  12.585  -2.961
  118   HG21  ILE  12          HG21      ILE  12  36.738  12.856  -1.321
  119   HG22  ILE  12          HG22      ILE  12  37.638  12.053  -2.624
  120   HG23  ILE  12          HG23      ILE  12  36.655  13.494  -2.976
  121   HD11  ILE  12           HD1      ILE  12  39.516  15.214  -4.425
  122   HD12  ILE  12           HD2      ILE  12  38.283  13.940  -4.564
  123   HD13  ILE  12           HD3      ILE  12  39.952  13.620  -5.077
  124    H    GLY  13           HN       GLY  13  37.759  14.113   0.228
  125    HA2  GLY  13           HA1      GLY  13  35.073  14.907   0.821
  126    HA3  GLY  13           HA2      GLY  13  36.265  14.274   1.978
  127    H    GLY  14           HN       GLY  14  37.867  16.570   0.432
  128    HA2  GLY  14           HA1      GLY  14  37.471  18.560   2.608
  129    HA3  GLY  14           HA2      GLY  14  38.728  18.569   1.355
  130    H    ALA  15           HN       ALA  15  37.023  18.179  -0.916
  131    HA   ALA  15           HA       ALA  15  35.832  20.941  -1.037
  132    HB1  ALA  15           HB1      ALA  15  35.765  20.580  -3.449
  133    HB2  ALA  15           HB2      ALA  15  36.283  18.891  -3.245
  134    HB3  ALA  15           HB3      ALA  15  37.397  20.223  -2.843
  135    H    ALA  16           HN       ALA  16  34.792  18.612   0.458
  136    HA   ALA  16           HA       ALA  16  32.654  17.905   0.990
  137    HB1  ALA  16           HB1      ALA  16  31.485  18.955  -1.595
  138    HB2  ALA  16           HB2      ALA  16  31.968  20.094  -0.318
  139    HB3  ALA  16           HB3      ALA  16  30.747  18.844   0.021
  140    H    LEU  17           HN       LEU  17  34.665  16.376  -0.373
  141    HA   LEU  17           HA       LEU  17  34.803  14.310  -1.445
  142    HB2  LEU  17           HB2      LEU  17  32.688  14.017   0.122
  143    HB3  LEU  17           HB1      LEU  17  31.783  14.048  -1.408
  144    HG   LEU  17           HG       LEU  17  33.633  12.244  -2.161
  145   HD11  LEU  17          HD11      LEU  17  33.471  11.709   0.836
  146   HD12  LEU  17          HD12      LEU  17  34.853  12.534   0.081
  147   HD13  LEU  17          HD13      LEU  17  34.460  10.861  -0.375
  148   HD21  LEU  17          HD21      LEU  17  32.115  10.439  -1.374
  149   HD22  LEU  17          HD22      LEU  17  31.202  11.816  -2.036
  150   HD23  LEU  17          HD23      LEU  17  31.321  11.590  -0.274
  151    H    ASP  18           HN       ASP  18  33.792  16.977  -2.831
  152    HA   ASP  18           HA       ASP  18  33.406  17.630  -5.015
  153    HB2  ASP  18           HB2      ASP  18  35.383  16.079  -5.387
  154    HB3  ASP  18           HB1      ASP  18  34.214  14.810  -5.820
  155    H    HIS  19           HN       HIS  19  32.571  14.167  -5.427
  156    HA   HIS  19           HA       HIS  19  30.211  14.657  -6.897
  157    HB2  HIS  19           HB2      HIS  19  31.345  12.455  -6.733
  158    HB3  HIS  19           HB1      HIS  19  30.797  12.314  -5.045
  159    HD1  HIS  19           HD1      HIS  19  28.152  14.032  -6.721
  160    HD2  HIS  19           HD2      HIS  19  29.429  10.025  -6.689
  161    HE1  HIS  19           HE1      HIS  19  26.176  12.596  -7.476
  162    H    LEU  20           HN       LEU  20  30.223  13.375  -3.538
  163    HA   LEU  20           HA       LEU  20  27.544  14.593  -3.108
  164    HB2  LEU  20           HB2      LEU  20  29.177  12.990  -1.110
  165    HB3  LEU  20           HB1      LEU  20  27.412  13.213  -1.179
  166    HG   LEU  20           HG       LEU  20  29.128  11.680  -3.181
  167   HD11  LEU  20          HD11      LEU  20  27.894   9.728  -2.358
  168   HD12  LEU  20          HD12      LEU  20  26.929  10.762  -1.275
  169   HD13  LEU  20          HD13      LEU  20  28.674  10.554  -0.989
  170   HD21  LEU  20          HD21      LEU  20  26.182  12.455  -3.164
  171   HD22  LEU  20          HD22      LEU  20  26.779  11.050  -4.080
  172   HD23  LEU  20          HD23      LEU  20  27.376  12.679  -4.465
  Start of MODEL   58
    1    H1   TRP   1           HT1      TRP   1  41.328  14.774  19.057
    2    H2   TRP   1           HT2      TRP   1  42.517  15.924  18.674
    3    H3   TRP   1           HT3      TRP   1  42.840  14.267  18.484
    4    HA   TRP   1           HA       TRP   1  40.554  15.327  17.064
    5    HB2  TRP   1           HB2      TRP   1  43.431  15.894  16.245
    6    HB3  TRP   1           HB1      TRP   1  41.990  16.177  15.238
    7    HD1  TRP   1           HD1      TRP   1  40.163  17.957  16.262
    8    HE1  TRP   1           HE1      TRP   1  40.530  20.123  17.654
    9    HE3  TRP   1           HE3      TRP   1  44.909  17.039  17.947
   10    HZ2  TRP   1           HZ2      TRP   1  42.619  21.271  19.271
   11    HZ3  TRP   1           HZ3      TRP   1  46.070  18.682  19.412
   12    HH2  TRP   1           HH2      TRP   1  44.929  20.795  20.076
   13    H    LEU   2           HN       LEU   2  40.343  14.222  14.999
   14    HA   LEU   2           HA       LEU   2  41.075  11.413  15.263
   15    HB2  LEU   2           HB2      LEU   2  39.949  12.718  12.763
   16    HB3  LEU   2           HB1      LEU   2  39.705  11.060  13.362
   17    HG   LEU   2           HG       LEU   2  38.652  13.627  14.630
   18   HD11  LEU   2          HD11      LEU   2  37.275  11.255  13.293
   19   HD12  LEU   2          HD12      LEU   2  37.418  12.897  12.623
   20   HD13  LEU   2          HD13      LEU   2  36.443  12.614  14.085
   21   HD21  LEU   2          HD21      LEU   2  39.171  12.147  16.445
   22   HD22  LEU   2          HD22      LEU   2  38.612  10.720  15.541
   23   HD23  LEU   2          HD23      LEU   2  37.435  11.917  16.133
   24    H    ARG   3           HN       ARG   3  42.580  14.187  13.950
   25    HA   ARG   3           HA       ARG   3  44.658  14.405  12.951
   26    HB2  ARG   3           HB2      ARG   3  45.102  12.113  14.179
   27    HB3  ARG   3           HB1      ARG   3  44.930  11.406  12.557
   28    HG2  ARG   3           HG2      ARG   3  46.652  13.103  11.747
   29    HG3  ARG   3           HG1      ARG   3  46.933  13.519  13.455
   30    HD2  ARG   3           HD2      ARG   3  47.471  11.129  13.928
   31    HD3  ARG   3           HD1      ARG   3  47.255  10.757  12.200
   32    HE   ARG   3           HE       ARG   3  49.165  12.901  12.556
   33   HH11  ARG   3          HH11      ARG   3  49.391  10.100  14.228
   34   HH12  ARG   3          HH12      ARG   3  50.739   9.438  13.365
   35   HH21  ARG   3          HH21      ARG   3  50.612  11.795  10.826
   36   HH22  ARG   3          HH22      ARG   3  51.429  10.397  11.439
   37    H    ARG   4           HN       ARG   4  42.766  11.705  11.514
   38    HA   ARG   4           HA       ARG   4  43.614  12.400   8.808
   39    HB2  ARG   4           HB2      ARG   4  41.209  10.711   9.573
   40    HB3  ARG   4           HB1      ARG   4  42.210  10.614   8.104
   41    HG2  ARG   4           HG2      ARG   4  43.089   9.941  10.947
   42    HG3  ARG   4           HG1      ARG   4  42.813   8.786   9.623
   43    HD2  ARG   4           HD2      ARG   4  44.604  10.151   8.316
   44    HD3  ARG   4           HD1      ARG   4  45.023  10.849   9.900
   45    HE   ARG   4           HE       ARG   4  44.979   8.054  10.259
   46   HH11  ARG   4          HH11      ARG   4  47.077  10.566   9.672
   47   HH12  ARG   4          HH12      ARG   4  48.346   9.602   8.995
   48   HH21  ARG   4          HH21      ARG   4  46.424   6.722   8.816
   49   HH22  ARG   4          HH22      ARG   4  47.976   7.425   8.509
   50    H    ILE   5           HN       ILE   5  41.514  13.837  10.987
   51    HA   ILE   5           HA       ILE   5  39.844  15.424  10.748
   52    HB   ILE   5           HB       ILE   5  40.732  15.724   7.849
   53   HG12  ILE   5          HG12      ILE   5  41.996  16.855  10.388
   54   HG13  ILE   5          HG11      ILE   5  42.743  15.690   9.270
   55   HG21  ILE   5          HG21      ILE   5  39.937  17.970   8.078
   56   HG22  ILE   5          HG22      ILE   5  39.826  17.834   9.850
   57   HG23  ILE   5          HG23      ILE   5  38.680  16.951   8.814
   58   HD11  ILE   5           HD1      ILE   5  42.094  18.618   8.796
   59   HD12  ILE   5           HD2      ILE   5  42.347  17.497   7.434
   60   HD13  ILE   5           HD3      ILE   5  43.652  17.782   8.611
   61    H    GLY   6           HN       GLY   6  38.516  13.329  10.868
   62    HA2  GLY   6           HA1      GLY   6  36.672  12.132  10.152
   63    HA3  GLY   6           HA2      GLY   6  36.250  13.587   9.227
   64    H    LYS   7           HN       LYS   7  39.263  11.920   8.617
   65    HA   LYS   7           HA       LYS   7  40.015  10.815   6.721
   66    HB2  LYS   7           HB2      LYS   7  37.167   9.792   6.443
   67    HB3  LYS   7           HB1      LYS   7  38.666   9.015   5.879
   68    HG2  LYS   7           HG2      LYS   7  39.416   8.960   8.324
   69    HG3  LYS   7           HG1      LYS   7  37.757   9.438   8.754
   70    HD2  LYS   7           HD2      LYS   7  38.493   6.978   7.102
   71    HD3  LYS   7           HD1      LYS   7  38.091   6.958   8.835
   72    HE2  LYS   7           HE2      LYS   7  35.875   8.145   8.125
   73    HE3  LYS   7           HE1      LYS   7  36.287   7.601   6.479
   74    HZ1  LYS   7           HZ1      LYS   7  35.244   6.104   8.663
   75    HZ2  LYS   7           HZ2      LYS   7  36.697   5.419   8.112
   76    HZ3  LYS   7           HZ3      LYS   7  35.406   5.659   7.035
   77    H    GLY   8           HN       GLY   8  40.557  12.157   5.118
   78    HA2  GLY   8           HA1      GLY   8  38.971  12.460   2.812
   79    HA3  GLY   8           HA2      GLY   8  38.678  13.898   3.810
   80    H    VAL   9           HN       VAL   9  40.384  12.831   1.266
   81    HA   VAL   9           HA       VAL   9  43.071  13.590   1.743
   82    HB   VAL   9           HB       VAL   9  42.966  14.222  -0.825
   83   HG11  VAL   9          HG11      VAL   9  42.241  11.446   0.213
   84   HG12  VAL   9          HG12      VAL   9  43.882  12.102  -0.004
   85   HG13  VAL   9          HG13      VAL   9  42.852  11.795  -1.422
   86   HG21  VAL   9          HG21      VAL   9  40.995  13.528  -2.004
   87   HG22  VAL   9          HG22      VAL   9  40.399  14.507  -0.645
   88   HG23  VAL   9          HG23      VAL   9  40.317  12.733  -0.563
   89    H    LYS  10           HN       LYS  10  41.777  15.670  -0.675
   90    HA   LYS  10           HA       LYS  10  41.472  18.006   1.089
   91    HB2  LYS  10           HB2      LYS  10  43.995  17.622   0.809
   92    HB3  LYS  10           HB1      LYS  10  43.765  18.026  -0.908
   93    HG2  LYS  10           HG2      LYS  10  42.637  20.187  -0.118
   94    HG3  LYS  10           HG1      LYS  10  43.224  19.794   1.513
   95    HD2  LYS  10           HD2      LYS  10  44.997  20.047  -0.958
   96    HD3  LYS  10           HD1      LYS  10  44.765  21.329   0.252
   97    HE2  LYS  10           HE2      LYS  10  45.521  19.542   1.997
   98    HE3  LYS  10           HE1      LYS  10  46.119  18.633   0.587
   99    HZ1  LYS  10           HZ1      LYS  10  46.929  21.284   0.287
  100    HZ2  LYS  10           HZ2      LYS  10  47.899  19.923   0.594
  101    HZ3  LYS  10           HZ3      LYS  10  47.288  20.843   1.885
  102    H    ILE  11           HN       ILE  11  41.417  16.380  -1.979
  103    HA   ILE  11           HA       ILE  11  40.059  18.741  -3.272
  104    HB   ILE  11           HB       ILE  11  41.113  16.241  -4.643
  105   HG12  ILE  11          HG12      ILE  11  42.957  18.157  -5.330
  106   HG13  ILE  11          HG11      ILE  11  42.569  18.723  -3.692
  107   HG21  ILE  11          HG21      ILE  11  41.038  17.736  -6.642
  108   HG22  ILE  11          HG22      ILE  11  40.388  19.042  -5.622
  109   HG23  ILE  11          HG23      ILE  11  39.439  17.559  -5.881
  110   HD11  ILE  11           HD1      ILE  11  44.412  17.216  -3.450
  111   HD12  ILE  11           HD2      ILE  11  43.674  16.016  -4.538
  112   HD13  ILE  11           HD3      ILE  11  42.987  16.294  -2.924
  113    H    ILE  12           HN       ILE  12  39.877  15.153  -3.010
  114    HA   ILE  12           HA       ILE  12  37.052  15.263  -3.963
  115    HB   ILE  12           HB       ILE  12  38.847  12.903  -3.282
  116   HG12  ILE  12          HG12      ILE  12  38.088  13.716  -6.121
  117   HG13  ILE  12          HG11      ILE  12  39.438  14.541  -5.313
  118   HG21  ILE  12          HG21      ILE  12  37.042  11.794  -4.927
  119   HG22  ILE  12          HG22      ILE  12  36.035  13.161  -4.409
  120   HG23  ILE  12          HG23      ILE  12  36.663  12.012  -3.208
  121   HD11  ILE  12           HD1      ILE  12  40.313  12.663  -6.596
  122   HD12  ILE  12           HD2      ILE  12  39.186  11.539  -5.804
  123   HD13  ILE  12           HD3      ILE  12  40.488  12.303  -4.864
  124    H    GLY  13           HN       GLY  13  38.008  12.661  -1.827
  125    HA2  GLY  13           HA1      GLY  13  35.822  12.978  -0.063
  126    HA3  GLY  13           HA2      GLY  13  37.339  12.136   0.333
  127    H    GLY  14           HN       GLY  14  38.490  14.835  -0.624
  128    HA2  GLY  14           HA1      GLY  14  38.799  15.996   2.068
  129    HA3  GLY  14           HA2      GLY  14  39.606  16.509   0.573
  130    H    ALA  15           HN       ALA  15  37.568  16.992  -1.195
  131    HA   ALA  15           HA       ALA  15  36.373  19.431   0.062
  132    HB1  ALA  15           HB1      ALA  15  35.926  18.394  -2.758
  133    HB2  ALA  15           HB2      ALA  15  37.357  19.351  -2.298
  134    HB3  ALA  15           HB3      ALA  15  35.730  20.052  -2.144
  135    H    ALA  16           HN       ALA  16  35.693  16.733   0.957
  136    HA   ALA  16           HA       ALA  16  33.782  15.708   1.738
  137    HB1  ALA  16           HB1      ALA  16  31.720  16.817   1.758
  138    HB2  ALA  16           HB2      ALA  16  31.994  17.587   0.178
  139    HB3  ALA  16           HB3      ALA  16  32.868  18.168   1.615
  140    H    LEU  17           HN       LEU  17  35.189  14.736  -0.474
  141    HA   LEU  17           HA       LEU  17  34.884  13.218  -2.213
  142    HB2  LEU  17           HB2      LEU  17  33.159  12.350  -0.443
  143    HB3  LEU  17           HB1      LEU  17  31.933  13.055  -1.517
  144    HG   LEU  17           HG       LEU  17  33.267  11.686  -3.408
  145   HD11  LEU  17          HD11      LEU  17  35.060  10.905  -1.866
  146   HD12  LEU  17          HD12      LEU  17  34.135   9.541  -2.529
  147   HD13  LEU  17          HD13      LEU  17  33.837  10.092  -0.865
  148   HD21  LEU  17          HD21      LEU  17  30.901  11.317  -2.804
  149   HD22  LEU  17          HD22      LEU  17  31.399  10.372  -1.380
  150   HD23  LEU  17          HD23      LEU  17  31.738   9.761  -3.016
  151    H    ASP  18           HN       ASP  18  34.586  16.055  -2.664
  152    HA   ASP  18           HA       ASP  18  33.946  17.500  -4.351
  153    HB2  ASP  18           HB2      ASP  18  34.922  15.705  -5.774
  154    HB3  ASP  18           HB1      ASP  18  33.314  14.951  -5.890
  155    H    HIS  19           HN       HIS  19  31.638  14.892  -5.166
  156    HA   HIS  19           HA       HIS  19  29.444  16.732  -5.386
  157    HB2  HIS  19           HB2      HIS  19  29.324  13.727  -4.927
  158    HB3  HIS  19           HB1      HIS  19  28.060  14.754  -5.644
  159    HD1  HIS  19           HD1      HIS  19  28.739  16.006  -7.959
  160    HD2  HIS  19           HD2      HIS  19  31.174  12.787  -6.773
  161    HE1  HIS  19           HE1      HIS  19  30.110  15.299  -9.995
  162    H    LEU  20           HN       LEU  20  29.888  14.072  -2.999
  163    HA   LEU  20           HA       LEU  20  29.166  15.814  -0.778
  164    HB2  LEU  20           HB2      LEU  20  27.066  14.267  -0.273
  165    HB3  LEU  20           HB1      LEU  20  26.904  15.662  -1.363
  166    HG   LEU  20           HG       LEU  20  27.159  14.226  -3.326
  167   HD11  LEU  20          HD11      LEU  20  27.689  12.075  -1.236
  168   HD12  LEU  20          HD12      LEU  20  28.701  12.541  -2.624
  169   HD13  LEU  20          HD13      LEU  20  27.173  11.675  -2.892
  170   HD21  LEU  20          HD21      LEU  20  25.104  12.865  -3.066
  171   HD22  LEU  20          HD22      LEU  20  24.903  14.470  -2.323
  172   HD23  LEU  20          HD23      LEU  20  25.204  13.046  -1.299
  Start of MODEL   59
    1    H1   TRP   1           HT1      TRP   1  35.639   6.120  15.032
    2    H2   TRP   1           HT2      TRP   1  35.598   7.674  15.719
    3    H3   TRP   1           HT3      TRP   1  36.835   7.252  14.632
    4    HA   TRP   1           HA       TRP   1  34.021   7.146  13.822
    5    HB2  TRP   1           HB2      TRP   1  35.839   9.583  13.673
    6    HB3  TRP   1           HB1      TRP   1  34.183   9.452  13.033
    7    HD1  TRP   1           HD1      TRP   1  32.461   8.396  15.193
    8    HE1  TRP   1           HE1      TRP   1  32.166   9.497  17.531
    9    HE3  TRP   1           HE3      TRP   1  36.785  11.133  15.346
   10    HZ2  TRP   1           HZ2      TRP   1  33.633  11.319  19.212
   11    HZ3  TRP   1           HZ3      TRP   1  37.315  12.545  17.326
   12    HH2  TRP   1           HH2      TRP   1  35.746  12.641  19.258
   13    H    LEU   2           HN       LEU   2  35.594   5.248  12.966
   14    HA   LEU   2           HA       LEU   2  36.484   4.305  11.049
   15    HB2  LEU   2           HB2      LEU   2  35.768   6.856   9.570
   16    HB3  LEU   2           HB1      LEU   2  35.916   5.210   8.921
   17    HG   LEU   2           HG       LEU   2  33.781   6.228  10.848
   18   HD11  LEU   2          HD11      LEU   2  32.262   5.647   8.971
   19   HD12  LEU   2          HD12      LEU   2  33.668   5.172   7.987
   20   HD13  LEU   2          HD13      LEU   2  33.460   6.868   8.485
   21   HD21  LEU   2          HD21      LEU   2  32.841   3.844  10.413
   22   HD22  LEU   2          HD22      LEU   2  34.208   3.982  11.539
   23   HD23  LEU   2          HD23      LEU   2  34.486   3.430   9.870
   24    H    ARG   3           HN       ARG   3  37.657   7.153  12.405
   25    HA   ARG   3           HA       ARG   3  39.825   7.929  12.562
   26    HB2  ARG   3           HB2      ARG   3  40.350   5.389  11.981
   27    HB3  ARG   3           HB1      ARG   3  40.822   6.053  10.403
   28    HG2  ARG   3           HG2      ARG   3  42.864   6.185  11.544
   29    HG3  ARG   3           HG1      ARG   3  42.201   7.799  11.889
   30    HD2  ARG   3           HD2      ARG   3  41.323   6.952  14.068
   31    HD3  ARG   3           HD1      ARG   3  42.018   5.354  13.714
   32    HE   ARG   3           HE       ARG   3  43.467   7.548  14.810
   33   HH11  ARG   3          HH11      ARG   3  44.776   5.059  15.096
   34   HH12  ARG   3          HH12      ARG   3  46.007   5.043  13.878
   35   HH21  ARG   3          HH21      ARG   3  44.576   7.599  12.023
   36   HH22  ARG   3          HH22      ARG   3  45.894   6.482  12.138
   37    H    ARG   4           HN       ARG   4  39.165   7.004   9.140
   38    HA   ARG   4           HA       ARG   4  40.501   9.355   8.108
   39    HB2  ARG   4           HB2      ARG   4  39.377   8.714   5.959
   40    HB3  ARG   4           HB1      ARG   4  40.273   7.377   6.718
   41    HG2  ARG   4           HG2      ARG   4  38.181   6.495   7.681
   42    HG3  ARG   4           HG1      ARG   4  37.269   7.852   6.977
   43    HD2  ARG   4           HD2      ARG   4  37.995   7.129   4.701
   44    HD3  ARG   4           HD1      ARG   4  38.825   5.733   5.432
   45    HE   ARG   4           HE       ARG   4  36.191   5.583   6.366
   46   HH11  ARG   4          HH11      ARG   4  37.129   3.344   4.810
   47   HH12  ARG   4          HH12      ARG   4  36.240   3.451   3.326
   48   HH21  ARG   4          HH21      ARG   4  35.322   6.760   3.808
   49   HH22  ARG   4          HH22      ARG   4  35.216   5.385   2.760
   50    H    ILE   5           HN       ILE   5  37.540   8.926   9.692
   51    HA   ILE   5           HA       ILE   5  35.716  10.320   9.991
   52    HB   ILE   5           HB       ILE   5  37.398  12.524   8.728
   53   HG12  ILE   5          HG12      ILE   5  38.871  11.575  10.346
   54   HG13  ILE   5          HG11      ILE   5  38.127  12.959  11.167
   55   HG21  ILE   5          HG21      ILE   5  35.188  13.296   9.110
   56   HG22  ILE   5          HG22      ILE   5  36.102  13.874  10.518
   57   HG23  ILE   5          HG23      ILE   5  35.050  12.449  10.664
   58   HD11  ILE   5           HD1      ILE   5  37.488  10.002  11.516
   59   HD12  ILE   5           HD2      ILE   5  36.416  11.285  12.123
   60   HD13  ILE   5           HD3      ILE   5  38.076  11.151  12.739
   61    H    GLY   6           HN       GLY   6  35.007   8.851   8.082
   62    HA2  GLY   6           HA1      GLY   6  33.885   8.658   6.065
   63    HA3  GLY   6           HA2      GLY   6  33.300  10.297   6.414
   64    H    LYS   7           HN       LYS   7  36.490   8.910   5.530
   65    HA   LYS   7           HA       LYS   7  37.953   9.485   3.835
   66    HB2  LYS   7           HB2      LYS   7  35.851   8.873   2.470
   67    HB3  LYS   7           HB1      LYS   7  35.579  10.623   2.320
   68    HG2  LYS   7           HG2      LYS   7  36.846  10.240   0.388
   69    HG3  LYS   7           HG1      LYS   7  38.143  10.640   1.534
   70    HD2  LYS   7           HD2      LYS   7  38.501   8.207   1.956
   71    HD3  LYS   7           HD1      LYS   7  37.211   7.827   0.790
   72    HE2  LYS   7           HE2      LYS   7  38.494   9.009  -0.988
   73    HE3  LYS   7           HE1      LYS   7  39.797   9.324   0.182
   74    HZ1  LYS   7           HZ1      LYS   7  38.815   6.655  -0.699
   75    HZ2  LYS   7           HZ2      LYS   7  39.988   6.908   0.503
   76    HZ3  LYS   7           HZ3      LYS   7  40.301   7.365  -1.101
   77    H    GLY   8           HN       GLY   8  39.339  11.120   3.464
   78    HA2  GLY   8           HA1      GLY   8  38.467  13.890   3.324
   79    HA3  GLY   8           HA2      GLY   8  39.215  13.503   4.887
   80    H    VAL   9           HN       VAL   9  39.726  13.245   1.357
   81    HA   VAL   9           HA       VAL   9  42.557  12.767   1.565
   82    HB   VAL   9           HB       VAL   9  40.951  13.970  -0.737
   83   HG11  VAL   9          HG11      VAL   9  43.769  12.834  -0.524
   84   HG12  VAL   9          HG12      VAL   9  43.287  14.455  -1.083
   85   HG13  VAL   9          HG13      VAL   9  42.916  13.024  -2.074
   86   HG21  VAL   9          HG21      VAL   9  40.266  11.670   0.103
   87   HG22  VAL   9          HG22      VAL   9  41.908  11.110  -0.298
   88   HG23  VAL   9          HG23      VAL   9  40.832  11.706  -1.585
   89    H    LYS  10           HN       LYS  10  41.311  15.626  -0.149
   90    HA   LYS  10           HA       LYS  10  42.407  17.560   1.693
   91    HB2  LYS  10           HB2      LYS  10  44.521  16.486   0.765
   92    HB3  LYS  10           HB1      LYS  10  44.056  17.132  -0.825
   93    HG2  LYS  10           HG2      LYS  10  43.939  19.432   0.230
   94    HG3  LYS  10           HG1      LYS  10  44.621  18.721   1.713
   95    HD2  LYS  10           HD2      LYS  10  46.582  17.913   0.376
   96    HD3  LYS  10           HD1      LYS  10  45.918  18.751  -1.047
   97    HE2  LYS  10           HE2      LYS  10  47.638  20.121   0.138
   98    HE3  LYS  10           HE1      LYS  10  46.041  20.906   0.124
   99    HZ1  LYS  10           HZ1      LYS  10  45.677  20.359   2.345
  100    HZ2  LYS  10           HZ2      LYS  10  47.315  20.815   2.321
  101    HZ3  LYS  10           HZ3      LYS  10  46.887  19.172   2.370
  102    H    ILE  11           HN       ILE  11  41.348  16.601  -1.516
  103    HA   ILE  11           HA       ILE  11  40.007  19.271  -1.827
  104    HB   ILE  11           HB       ILE  11  41.372  17.830  -4.140
  105   HG12  ILE  11          HG12      ILE  11  42.398  20.147  -2.436
  106   HG13  ILE  11          HG11      ILE  11  43.105  18.517  -2.529
  107   HG21  ILE  11          HG21      ILE  11  40.522  20.744  -3.874
  108   HG22  ILE  11          HG22      ILE  11  39.424  19.484  -4.485
  109   HG23  ILE  11          HG23      ILE  11  40.930  19.849  -5.357
  110   HD11  ILE  11           HD1      ILE  11  43.303  18.965  -5.089
  111   HD12  ILE  11           HD2      ILE  11  44.440  19.806  -4.009
  112   HD13  ILE  11           HD3      ILE  11  43.033  20.674  -4.665
  113    H    ILE  12           HN       ILE  12  40.383  15.901  -2.929
  114    HA   ILE  12           HA       ILE  12  37.731  15.839  -4.169
  115    HB   ILE  12           HB       ILE  12  39.633  13.624  -3.335
  116   HG12  ILE  12          HG12      ILE  12  39.228  14.596  -6.198
  117   HG13  ILE  12          HG11      ILE  12  40.354  15.453  -5.124
  118   HG21  ILE  12          HG21      ILE  12  37.092  13.661  -5.017
  119   HG22  ILE  12          HG22      ILE  12  37.495  12.605  -3.644
  120   HG23  ILE  12          HG23      ILE  12  38.299  12.372  -5.206
  121   HD11  ILE  12           HD1      ILE  12  40.486  12.528  -5.975
  122   HD12  ILE  12           HD2      ILE  12  41.494  13.218  -4.681
  123   HD13  ILE  12           HD3      ILE  12  41.641  13.825  -6.345
  124    H    GLY  13           HN       GLY  13  38.780  13.302  -1.926
  125    HA2  GLY  13           HA1      GLY  13  36.251  13.162  -0.594
  126    HA3  GLY  13           HA2      GLY  13  37.788  12.497   0.006
  127    H    GLY  14           HN       GLY  14  38.615  15.409  -0.743
  128    HA2  GLY  14           HA1      GLY  14  38.488  16.449   2.013
  129    HA3  GLY  14           HA2      GLY  14  39.328  17.178   0.626
  130    H    ALA  15           HN       ALA  15  37.311  17.379  -1.275
  131    HA   ALA  15           HA       ALA  15  35.681  19.560  -0.037
  132    HB1  ALA  15           HB1      ALA  15  34.988  20.046  -2.324
  133    HB2  ALA  15           HB2      ALA  15  35.769  18.561  -2.912
  134    HB3  ALA  15           HB3      ALA  15  36.758  19.894  -2.263
  135    H    ALA  16           HN       ALA  16  35.412  16.703   0.639
  136    HA   ALA  16           HA       ALA  16  33.627  15.377   1.268
  137    HB1  ALA  16           HB1      ALA  16  31.660  16.970  -0.388
  138    HB2  ALA  16           HB2      ALA  16  32.322  17.663   1.111
  139    HB3  ALA  16           HB3      ALA  16  31.418  16.132   1.162
  140    H    LEU  17           HN       LEU  17  35.358  14.869  -0.940
  141    HA   LEU  17           HA       LEU  17  35.456  13.462  -2.792
  142    HB2  LEU  17           HB2      LEU  17  33.907  12.188  -0.967
  143    HB3  LEU  17           HB1      LEU  17  32.708  12.330  -2.267
  144    HG   LEU  17           HG       LEU  17  35.501  11.118  -2.576
  145   HD11  LEU  17          HD11      LEU  17  33.871   9.817  -1.133
  146   HD12  LEU  17          HD12      LEU  17  34.391   8.967  -2.607
  147   HD13  LEU  17          HD13      LEU  17  32.785   9.736  -2.539
  148   HD21  LEU  17          HD21      LEU  17  33.091  11.288  -4.444
  149   HD22  LEU  17          HD22      LEU  17  34.540  10.304  -4.752
  150   HD23  LEU  17          HD23      LEU  17  34.670  12.076  -4.674
  151    H    ASP  18           HN       ASP  18  34.701  16.012  -3.394
  152    HA   ASP  18           HA       ASP  18  33.658  17.282  -5.028
  153    HB2  ASP  18           HB2      ASP  18  33.452  14.555  -6.362
  154    HB3  ASP  18           HB1      ASP  18  33.166  16.111  -7.175
  155    H    HIS  19           HN       HIS  19  31.739  14.375  -5.736
  156    HA   HIS  19           HA       HIS  19  29.400  15.397  -4.261
  157    HB2  HIS  19           HB2      HIS  19  29.402  16.752  -6.374
  158    HB3  HIS  19           HB1      HIS  19  29.301  15.234  -7.300
  159    HD1  HIS  19           HD1      HIS  19  26.959  14.788  -8.010
  160    HD2  HIS  19           HD2      HIS  19  27.138  16.504  -4.174
  161    HE1  HIS  19           HE1      HIS  19  24.560  14.993  -7.154
  162    H    LEU  20           HN       LEU  20  30.946  13.032  -4.078
  163    HA   LEU  20           HA       LEU  20  30.673  10.734  -4.015
  164    HB2  LEU  20           HB2      LEU  20  28.520  11.543  -2.897
  165    HB3  LEU  20           HB1      LEU  20  27.721  11.294  -4.463
  166    HG   LEU  20           HG       LEU  20  28.783   8.866  -4.334
  167   HD11  LEU  20          HD11      LEU  20  28.826   9.761  -1.413
  168   HD12  LEU  20          HD12      LEU  20  30.200   9.163  -2.372
  169   HD13  LEU  20          HD13      LEU  20  28.875   8.064  -1.936
  170   HD21  LEU  20          HD21      LEU  20  26.787   8.068  -3.073
  171   HD22  LEU  20          HD22      LEU  20  26.362   9.325  -4.261
  172   HD23  LEU  20          HD23      LEU  20  26.477   9.736  -2.533
  Start of MODEL   60
    1    H1   TRP   1           HT1      TRP   1  44.949   8.354   4.730
    2    H2   TRP   1           HT2      TRP   1  46.434   8.111   3.940
    3    H3   TRP   1           HT3      TRP   1  45.877   9.688   4.248
    4    HA   TRP   1           HA       TRP   1  47.619   8.345   5.757
    5    HB2  TRP   1           HB2      TRP   1  45.646  10.474   6.673
    6    HB3  TRP   1           HB1      TRP   1  47.230  10.116   7.402
    7    HD1  TRP   1           HD1      TRP   1  45.620  11.643   4.285
    8    HE1  TRP   1           HE1      TRP   1  47.389  13.033   2.981
    9    HE3  TRP   1           HE3      TRP   1  49.790  10.365   6.968
   10    HZ2  TRP   1           HZ2      TRP   1  50.227  13.505   3.112
   11    HZ3  TRP   1           HZ3      TRP   1  52.017  11.297   6.360
   12    HH2  TRP   1           HH2      TRP   1  52.240  12.865   4.437
   13    H    LEU   2           HN       LEU   2  47.010   6.220   6.240
   14    HA   LEU   2           HA       LEU   2  46.177   4.569   7.626
   15    HB2  LEU   2           HB2      LEU   2  45.173   6.762   9.463
   16    HB3  LEU   2           HB1      LEU   2  45.613   5.094   9.884
   17    HG   LEU   2           HG       LEU   2  47.541   7.220   8.842
   18   HD11  LEU   2          HD11      LEU   2  46.797   7.672  11.141
   19   HD12  LEU   2          HD12      LEU   2  48.479   7.091  11.150
   20   HD13  LEU   2          HD13      LEU   2  47.155   5.992  11.608
   21   HD21  LEU   2          HD21      LEU   2  49.229   5.410   9.667
   22   HD22  LEU   2          HD22      LEU   2  48.399   5.114   8.125
   23   HD23  LEU   2          HD23      LEU   2  47.849   4.286   9.601
   24    H    ARG   3           HN       ARG   3  44.193   6.893   6.191
   25    HA   ARG   3           HA       ARG   3  41.994   6.830   5.500
   26    HB2  ARG   3           HB2      ARG   3  41.903   3.934   6.402
   27    HB3  ARG   3           HB1      ARG   3  40.942   4.724   5.132
   28    HG2  ARG   3           HG2      ARG   3  43.080   5.170   3.875
   29    HG3  ARG   3           HG1      ARG   3  43.943   4.200   5.092
   30    HD2  ARG   3           HD2      ARG   3  42.616   2.231   4.546
   31    HD3  ARG   3           HD1      ARG   3  41.589   3.179   3.446
   32    HE   ARG   3           HE       ARG   3  44.380   3.343   2.677
   33   HH11  ARG   3          HH11      ARG   3  42.153   3.098   0.723
   34   HH12  ARG   3          HH12      ARG   3  42.338   1.475   0.145
   35   HH21  ARG   3          HH21      ARG   3  44.375   0.487   2.772
   36   HH22  ARG   3          HH22      ARG   3  43.595  -0.002   1.305
   37    H    ARG   4           HN       ARG   4  42.840   6.000   8.743
   38    HA   ARG   4           HA       ARG   4  40.015   6.165   9.686
   39    HB2  ARG   4           HB2      ARG   4  41.636   4.439  10.584
   40    HB3  ARG   4           HB1      ARG   4  42.566   5.778  11.300
   41    HG2  ARG   4           HG2      ARG   4  40.614   6.483  12.607
   42    HG3  ARG   4           HG1      ARG   4  39.613   5.229  11.834
   43    HD2  ARG   4           HD2      ARG   4  40.432   4.533  14.093
   44    HD3  ARG   4           HD1      ARG   4  41.020   3.463  12.797
   45    HE   ARG   4           HE       ARG   4  42.937   5.554  13.253
   46   HH11  ARG   4          HH11      ARG   4  41.514   2.809  14.778
   47   HH12  ARG   4          HH12      ARG   4  42.960   2.358  15.617
   48   HH21  ARG   4          HH21      ARG   4  44.855   4.938  14.284
   49   HH22  ARG   4          HH22      ARG   4  44.852   3.564  15.339
   50    H    ILE   5           HN       ILE   5  43.180   7.809   9.977
   51    HA   ILE   5           HA       ILE   5  41.959  10.000  11.564
   52    HB   ILE   5           HB       ILE   5  44.758   9.836  10.371
   53   HG12  ILE   5          HG12      ILE   5  44.509   7.861  11.718
   54   HG13  ILE   5          HG11      ILE   5  45.412   9.024  12.704
   55   HG21  ILE   5          HG21      ILE   5  43.409  11.603  12.442
   56   HG22  ILE   5          HG22      ILE   5  44.429  12.058  11.064
   57   HG23  ILE   5          HG23      ILE   5  45.164  11.327  12.506
   58   HD11  ILE   5           HD1      ILE   5  43.785   8.128  14.184
   59   HD12  ILE   5           HD2      ILE   5  42.504   8.179  12.952
   60   HD13  ILE   5           HD3      ILE   5  43.091   9.686  13.688
   61    H    GLY   6           HN       GLY   6  43.056   9.335   8.263
   62    HA2  GLY   6           HA1      GLY   6  43.190  11.950   7.248
   63    HA3  GLY   6           HA2      GLY   6  42.692  10.526   6.312
   64    H    LYS   7           HN       LYS   7  40.368   9.786   6.775
   65    HA   LYS   7           HA       LYS   7  38.134  10.326   6.435
   66    HB2  LYS   7           HB2      LYS   7  38.633  12.510   8.486
   67    HB3  LYS   7           HB1      LYS   7  37.111  11.647   8.157
   68    HG2  LYS   7           HG2      LYS   7  38.369   9.491   8.799
   69    HG3  LYS   7           HG1      LYS   7  39.653  10.551   9.425
   70    HD2  LYS   7           HD2      LYS   7  36.727  10.654  10.284
   71    HD3  LYS   7           HD1      LYS   7  38.033   9.871  11.203
   72    HE2  LYS   7           HE2      LYS   7  39.232  12.176  11.103
   73    HE3  LYS   7           HE1      LYS   7  37.651  12.827  10.610
   74    HZ1  LYS   7           HZ1      LYS   7  38.201  11.270  13.088
   75    HZ2  LYS   7           HZ2      LYS   7  36.684  11.871  12.613
   76    HZ3  LYS   7           HZ3      LYS   7  37.942  12.944  13.002
   77    H    GLY   8           HN       GLY   8  40.386  11.972   5.049
   78    HA2  GLY   8           HA1      GLY   8  38.684  13.503   3.379
   79    HA3  GLY   8           HA2      GLY   8  39.353  14.600   4.603
   80    H    VAL   9           HN       VAL   9  39.811  13.193   1.581
   81    HA   VAL   9           HA       VAL   9  42.659  12.907   1.514
   82    HB   VAL   9           HB       VAL   9  40.740  13.667  -0.736
   83   HG11  VAL   9          HG11      VAL   9  42.988  14.207  -1.429
   84   HG12  VAL   9          HG12      VAL   9  42.607  12.625  -2.144
   85   HG13  VAL   9          HG13      VAL   9  43.637  12.722  -0.696
   86   HG21  VAL   9          HG21      VAL   9  40.191  11.522   0.368
   87   HG22  VAL   9          HG22      VAL   9  41.879  10.987   0.181
   88   HG23  VAL   9          HG23      VAL   9  40.861  11.238  -1.258
   89    H    LYS  10           HN       LYS  10  41.180  15.388  -0.541
   90    HA   LYS  10           HA       LYS  10  42.242  17.651   0.896
   91    HB2  LYS  10           HB2      LYS  10  44.383  16.524   0.089
   92    HB3  LYS  10           HB1      LYS  10  43.845  16.875  -1.570
   93    HG2  LYS  10           HG2      LYS  10  43.696  19.296  -0.988
   94    HG3  LYS  10           HG1      LYS  10  44.300  18.924   0.645
   95    HD2  LYS  10           HD2      LYS  10  46.339  17.868  -0.471
   96    HD3  LYS  10           HD1      LYS  10  45.760  18.564  -2.004
   97    HE2  LYS  10           HE2      LYS  10  47.352  20.121  -1.044
   98    HE3  LYS  10           HE1      LYS  10  45.728  20.830  -0.870
   99    HZ1  LYS  10           HZ1      LYS  10  46.485  19.138   1.334
  100    HZ2  LYS  10           HZ2      LYS  10  45.850  20.715   1.341
  101    HZ3  LYS  10           HZ3      LYS  10  47.519  20.468   1.139
  102    H    ILE  11           HN       ILE  11  41.003  16.106  -1.986
  103    HA   ILE  11           HA       ILE  11  39.789  18.737  -2.829
  104    HB   ILE  11           HB       ILE  11  40.667  16.557  -4.764
  105   HG12  ILE  11          HG12      ILE  11  42.159  19.069  -3.871
  106   HG13  ILE  11          HG11      ILE  11  42.675  17.385  -3.616
  107   HG21  ILE  11          HG21      ILE  11  38.877  18.316  -5.359
  108   HG22  ILE  11          HG22      ILE  11  40.278  18.220  -6.449
  109   HG23  ILE  11          HG23      ILE  11  40.176  19.527  -5.243
  110   HD11  ILE  11           HD1      ILE  11  42.551  17.161  -6.209
  111   HD12  ILE  11           HD2      ILE  11  43.909  18.084  -5.520
  112   HD13  ILE  11           HD3      ILE  11  42.516  18.942  -6.219
  113    H    ILE  12           HN       ILE  12  39.654  15.163  -3.079
  114    HA   ILE  12           HA       ILE  12  36.796  15.266  -3.825
  115    HB   ILE  12           HB       ILE  12  38.642  12.955  -3.122
  116   HG12  ILE  12          HG12      ILE  12  37.686  13.607  -5.941
  117   HG13  ILE  12          HG11      ILE  12  39.064  14.499  -5.261
  118   HG21  ILE  12          HG21      ILE  12  35.757  13.098  -4.063
  119   HG22  ILE  12          HG22      ILE  12  36.498  12.018  -2.859
  120   HG23  ILE  12          HG23      ILE  12  36.759  11.727  -4.588
  121   HD11  ILE  12           HD1      ILE  12  39.894  12.572  -6.510
  122   HD12  ILE  12           HD2      ILE  12  38.854  11.469  -5.582
  123   HD13  ILE  12           HD3      ILE  12  40.196  12.313  -4.777
  124    H    GLY  13           HN       GLY  13  37.968  12.827  -1.566
  125    HA2  GLY  13           HA1      GLY  13  35.810  13.192   0.258
  126    HA3  GLY  13           HA2      GLY  13  37.347  12.376   0.623
  127    H    GLY  14           HN       GLY  14  38.331  15.071  -0.600
  128    HA2  GLY  14           HA1      GLY  14  38.875  16.375   1.988
  129    HA3  GLY  14           HA2      GLY  14  39.514  16.837   0.394
  130    H    ALA  15           HN       ALA  15  37.257  17.167  -1.159
  131    HA   ALA  15           HA       ALA  15  36.095  19.611   0.142
  132    HB1  ALA  15           HB1      ALA  15  36.906  19.592  -2.270
  133    HB2  ALA  15           HB2      ALA  15  35.237  20.155  -2.026
  134    HB3  ALA  15           HB3      ALA  15  35.538  18.513  -2.638
  135    H    ALA  16           HN       ALA  16  35.617  16.892   1.083
  136    HA   ALA  16           HA       ALA  16  33.821  15.757   1.984
  137    HB1  ALA  16           HB1      ALA  16  31.720  16.778   2.192
  138    HB2  ALA  16           HB2      ALA  16  31.846  17.603   0.621
  139    HB3  ALA  16           HB3      ALA  16  32.805  18.174   2.007
  140    H    LEU  17           HN       LEU  17  35.059  14.771  -0.224
  141    HA   LEU  17           HA       LEU  17  34.707  13.231  -1.928
  142    HB2  LEU  17           HB2      LEU  17  31.762  13.214  -1.158
  143    HB3  LEU  17           HB1      LEU  17  32.644  11.968  -2.055
  144    HG   LEU  17           HG       LEU  17  33.553  12.734   0.748
  145   HD11  LEU  17          HD11      LEU  17  32.102  10.943   1.653
  146   HD12  LEU  17          HD12      LEU  17  31.366  10.726   0.046
  147   HD13  LEU  17          HD13      LEU  17  31.135  12.252   0.934
  148   HD21  LEU  17          HD21      LEU  17  34.388  10.427   0.754
  149   HD22  LEU  17          HD22      LEU  17  34.949  11.233  -0.727
  150   HD23  LEU  17          HD23      LEU  17  33.584  10.097  -0.797
  151    H    ASP  18           HN       ASP  18  33.692  16.285  -1.938
  152    HA   ASP  18           HA       ASP  18  32.986  17.748  -3.584
  153    HB2  ASP  18           HB2      ASP  18  34.840  16.624  -4.836
  154    HB3  ASP  18           HB1      ASP  18  33.650  15.487  -5.508
  155    H    HIS  19           HN       HIS  19  32.011  14.743  -5.263
  156    HA   HIS  19           HA       HIS  19  29.182  15.144  -4.569
  157    HB2  HIS  19           HB2      HIS  19  28.416  15.510  -6.873
  158    HB3  HIS  19           HB1      HIS  19  29.498  16.829  -6.366
  159    HD1  HIS  19           HD1      HIS  19  29.248  16.415  -9.350
  160    HD2  HIS  19           HD2      HIS  19  31.998  14.240  -7.031
  161    HE1  HIS  19           HE1      HIS  19  31.115  15.636 -10.912
  162    H    LEU  20           HN       LEU  20  30.584  13.005  -3.899
  163    HA   LEU  20           HA       LEU  20  29.279  10.892  -5.400
  164    HB2  LEU  20           HB2      LEU  20  31.063  11.196  -6.993
  165    HB3  LEU  20           HB1      LEU  20  32.283  11.275  -5.704
  166    HG   LEU  20           HG       LEU  20  31.989   8.928  -5.173
  167   HD11  LEU  20          HD11      LEU  20  29.592   9.138  -7.038
  168   HD12  LEU  20          HD12      LEU  20  29.639   8.565  -5.353
  169   HD13  LEU  20          HD13      LEU  20  30.340   7.570  -6.649
  170   HD21  LEU  20          HD21      LEU  20  33.394   9.513  -7.160
  171   HD22  LEU  20          HD22      LEU  20  31.975   9.265  -8.206
  172   HD23  LEU  20          HD23      LEU  20  32.661   7.898  -7.295
  Start of MODEL   61
    1    H1   TRP   1           HT1      TRP   1  40.135   1.846   6.783
    2    H2   TRP   1           HT2      TRP   1  41.222   1.291   7.967
    3    H3   TRP   1           HT3      TRP   1  41.415   0.825   6.344
    4    HA   TRP   1           HA       TRP   1  42.969   2.558   7.141
    5    HB2  TRP   1           HB2      TRP   1  41.111   3.313   4.851
    6    HB3  TRP   1           HB1      TRP   1  42.792   3.852   5.077
    7    HD1  TRP   1           HD1      TRP   1  40.725   1.031   3.727
    8    HE1  TRP   1           HE1      TRP   1  42.248  -0.855   2.787
    9    HE3  TRP   1           HE3      TRP   1  45.228   2.649   5.546
   10    HZ2  TRP   1           HZ2      TRP   1  45.045  -1.539   2.837
   11    HZ3  TRP   1           HZ3      TRP   1  47.312   1.365   5.088
   12    HH2  TRP   1           HH2      TRP   1  47.224  -0.726   3.736
   13    H    LEU   2           HN       LEU   2  41.651   3.089   9.252
   14    HA   LEU   2           HA       LEU   2  40.873   4.789  10.623
   15    HB2  LEU   2           HB2      LEU   2  41.370   6.705   8.326
   16    HB3  LEU   2           HB1      LEU   2  41.375   7.053  10.069
   17    HG   LEU   2           HG       LEU   2  43.379   5.311   8.564
   18   HD11  LEU   2          HD11      LEU   2  44.969   7.061   9.073
   19   HD12  LEU   2          HD12      LEU   2  43.786   7.914  10.095
   20   HD13  LEU   2          HD13      LEU   2  43.547   7.834   8.332
   21   HD21  LEU   2          HD21      LEU   2  42.944   5.866  11.527
   22   HD22  LEU   2          HD22      LEU   2  44.544   5.407  10.893
   23   HD23  LEU   2          HD23      LEU   2  43.167   4.300  10.711
   24    H    ARG   3           HN       ARG   3  39.409   3.965   7.729
   25    HA   ARG   3           HA       ARG   3  37.188   3.982   7.101
   26    HB2  ARG   3           HB2      ARG   3  36.860   3.934   9.707
   27    HB3  ARG   3           HB1      ARG   3  36.428   5.649   9.524
   28    HG2  ARG   3           HG2      ARG   3  34.718   4.999   7.812
   29    HG3  ARG   3           HG1      ARG   3  35.104   3.288   8.118
   30    HD2  ARG   3           HD2      ARG   3  33.145   3.924   9.444
   31    HD3  ARG   3           HD1      ARG   3  34.523   3.630  10.532
   32    HE   ARG   3           HE       ARG   3  34.485   6.405   9.863
   33   HH11  ARG   3          HH11      ARG   3  31.761   6.720  10.255
   34   HH12  ARG   3          HH12      ARG   3  31.496   6.644  11.966
   35   HH21  ARG   3          HH21      ARG   3  34.547   5.141  12.642
   36   HH22  ARG   3          HH22      ARG   3  33.072   5.751  13.316
   37    H    ARG   4           HN       ARG   4  37.491   7.115   8.847
   38    HA   ARG   4           HA       ARG   4  36.214   8.562   6.701
   39    HB2  ARG   4           HB2      ARG   4  37.942   9.518   9.017
   40    HB3  ARG   4           HB1      ARG   4  36.992  10.580   7.949
   41    HG2  ARG   4           HG2      ARG   4  34.916   9.481   8.622
   42    HG3  ARG   4           HG1      ARG   4  35.821   8.295   9.593
   43    HD2  ARG   4           HD2      ARG   4  36.600  10.032  11.105
   44    HD3  ARG   4           HD1      ARG   4  35.904  11.303  10.072
   45    HE   ARG   4           HE       ARG   4  33.760   9.619  10.746
   46   HH11  ARG   4          HH11      ARG   4  32.994  12.072  11.575
   47   HH12  ARG   4          HH12      ARG   4  33.353  12.206  13.264
   48   HH21  ARG   4          HH21      ARG   4  35.583   9.549  13.270
   49   HH22  ARG   4          HH22      ARG   4  34.820  10.776  14.224
   50    H    ILE   5           HN       ILE   5  39.162   7.077   6.755
   51    HA   ILE   5           HA       ILE   5  41.089   7.312   5.489
   52    HB   ILE   5           HB       ILE   5  39.476   9.204   3.729
   53   HG12  ILE   5          HG12      ILE   5  38.028   7.328   3.977
   54   HG13  ILE   5          HG11      ILE   5  38.887   7.035   2.454
   55   HG21  ILE   5          HG21      ILE   5  41.898   7.411   3.301
   56   HG22  ILE   5          HG22      ILE   5  41.744   9.159   3.031
   57   HG23  ILE   5          HG23      ILE   5  40.922   8.019   1.945
   58   HD11  ILE   5           HD1      ILE   5  39.368   5.730   5.162
   59   HD12  ILE   5           HD2      ILE   5  40.540   5.614   3.831
   60   HD13  ILE   5           HD3      ILE   5  38.905   4.951   3.634
   61    H    GLY   6           HN       GLY   6  41.733   8.591   7.504
   62    HA2  GLY   6           HA1      GLY   6  42.828  10.413   8.416
   63    HA3  GLY   6           HA2      GLY   6  43.372  10.739   6.759
   64    H    LYS   7           HN       LYS   7  40.001  10.764   7.853
   65    HA   LYS   7           HA       LYS   7  38.430  12.470   7.771
   66    HB2  LYS   7           HB2      LYS   7  39.906  13.190   9.716
   67    HB3  LYS   7           HB1      LYS   7  40.726  14.291   8.584
   68    HG2  LYS   7           HG2      LYS   7  38.503  15.323   8.042
   69    HG3  LYS   7           HG1      LYS   7  37.758  14.291   9.287
   70    HD2  LYS   7           HD2      LYS   7  39.216  15.286  11.011
   71    HD3  LYS   7           HD1      LYS   7  40.007  16.294   9.774
   72    HE2  LYS   7           HE2      LYS   7  37.729  17.271   9.236
   73    HE3  LYS   7           HE1      LYS   7  37.090  16.398  10.650
   74    HZ1  LYS   7           HZ1      LYS   7  39.466  18.130  10.925
   75    HZ2  LYS   7           HZ2      LYS   7  38.326  17.674  12.099
   76    HZ3  LYS   7           HZ3      LYS   7  37.917  18.820  10.914
   77    H    GLY   8           HN       GLY   8  38.352  12.209   5.425
   78    HA2  GLY   8           HA1      GLY   8  38.236  13.156   3.319
   79    HA3  GLY   8           HA2      GLY   8  38.523  14.728   4.089
   80    H    VAL   9           HN       VAL   9  39.513  13.471   1.531
   81    HA   VAL   9           HA       VAL   9  42.341  12.957   1.922
   82    HB   VAL   9           HB       VAL   9  40.812  13.760  -0.598
   83   HG11  VAL   9          HG11      VAL   9  43.633  12.714  -0.116
   84   HG12  VAL   9          HG12      VAL   9  43.156  14.214  -0.945
   85   HG13  VAL   9          HG13      VAL   9  42.831  12.637  -1.702
   86   HG21  VAL   9          HG21      VAL   9  41.673  11.060   0.536
   87   HG22  VAL   9          HG22      VAL   9  40.967  11.306  -1.079
   88   HG23  VAL   9          HG23      VAL   9  40.003  11.655   0.375
   89    H    LYS  10           HN       LYS  10  41.258  15.475  -0.336
   90    HA   LYS  10           HA       LYS  10  42.222  17.693   1.247
   91    HB2  LYS  10           HB2      LYS  10  44.390  16.493   0.703
   92    HB3  LYS  10           HB1      LYS  10  44.068  16.840  -1.014
   93    HG2  LYS  10           HG2      LYS  10  43.983  19.262  -0.517
   94    HG3  LYS  10           HG1      LYS  10  44.293  18.924   1.204
   95    HD2  LYS  10           HD2      LYS  10  46.468  17.937   0.657
   96    HD3  LYS  10           HD1      LYS  10  46.154  18.149  -1.083
   97    HE2  LYS  10           HE2      LYS  10  47.571  19.981  -0.340
   98    HE3  LYS  10           HE1      LYS  10  45.948  20.631  -0.677
   99    HZ1  LYS  10           HZ1      LYS  10  47.337  20.304   1.871
  100    HZ2  LYS  10           HZ2      LYS  10  45.667  19.987   1.876
  101    HZ3  LYS  10           HZ3      LYS  10  46.248  21.504   1.373
  102    H    ILE  11           HN       ILE  11  41.219  16.224  -1.761
  103    HA   ILE  11           HA       ILE  11  40.224  18.916  -2.692
  104    HB   ILE  11           HB       ILE  11  41.261  16.755  -4.565
  105   HG12  ILE  11          HG12      ILE  11  42.716  19.186  -3.427
  106   HG13  ILE  11          HG11      ILE  11  43.146  17.479  -3.175
  107   HG21  ILE  11          HG21      ILE  11  41.132  18.470  -6.239
  108   HG22  ILE  11          HG22      ILE  11  40.923  19.749  -5.020
  109   HG23  ILE  11          HG23      ILE  11  39.612  18.585  -5.324
  110   HD11  ILE  11           HD1      ILE  11  43.318  17.343  -5.772
  111   HD12  ILE  11           HD2      ILE  11  44.615  18.191  -4.898
  112   HD13  ILE  11           HD3      ILE  11  43.343  19.124  -5.720
  113    H    ILE  12           HN       ILE  12  40.012  15.356  -2.994
  114    HA   ILE  12           HA       ILE  12  37.242  15.582  -4.054
  115    HB   ILE  12           HB       ILE  12  38.968  13.169  -3.386
  116   HG12  ILE  12          HG12      ILE  12  38.321  14.098  -6.217
  117   HG13  ILE  12          HG11      ILE  12  39.648  14.875  -5.328
  118   HG21  ILE  12          HG21      ILE  12  36.723  12.384  -3.398
  119   HG22  ILE  12          HG22      ILE  12  37.246  12.085  -5.066
  120   HG23  ILE  12          HG23      ILE  12  36.236  13.500  -4.694
  121   HD11  ILE  12           HD1      ILE  12  40.652  12.601  -4.928
  122   HD12  ILE  12           HD2      ILE  12  40.561  13.046  -6.648
  123   HD13  ILE  12           HD3      ILE  12  39.387  11.902  -5.963
  124    H    GLY  13           HN       GLY  13  38.191  12.946  -1.906
  125    HA2  GLY  13           HA1      GLY  13  35.891  13.201  -0.243
  126    HA3  GLY  13           HA2      GLY  13  37.388  12.337   0.180
  127    H    GLY  14           HN       GLY  14  38.534  15.080  -0.723
  128    HA2  GLY  14           HA1      GLY  14  38.848  16.172   1.997
  129    HA3  GLY  14           HA2      GLY  14  39.645  16.735   0.512
  130    H    ALA  15           HN       ALA  15  37.576  17.250  -1.220
  131    HA   ALA  15           HA       ALA  15  36.376  19.645   0.112
  132    HB1  ALA  15           HB1      ALA  15  37.330  19.707  -2.233
  133    HB2  ALA  15           HB2      ALA  15  35.653  20.283  -2.088
  134    HB3  ALA  15           HB3      ALA  15  35.980  18.659  -2.735
  135    H    ALA  16           HN       ALA  16  35.716  16.919   0.930
  136    HA   ALA  16           HA       ALA  16  33.806  15.888   1.716
  137    HB1  ALA  16           HB1      ALA  16  31.739  16.981   1.743
  138    HB2  ALA  16           HB2      ALA  16  31.998  17.750   0.160
  139    HB3  ALA  16           HB3      ALA  16  32.871  18.344   1.593
  140    H    LEU  17           HN       LEU  17  35.233  14.994  -0.565
  141    HA   LEU  17           HA       LEU  17  34.936  13.555  -2.372
  142    HB2  LEU  17           HB2      LEU  17  33.239  12.701  -0.369
  143    HB3  LEU  17           HB1      LEU  17  32.087  12.893  -1.704
  144    HG   LEU  17           HG       LEU  17  34.678  11.272  -1.838
  145   HD11  LEU  17          HD11      LEU  17  33.221   9.308  -1.762
  146   HD12  LEU  17          HD12      LEU  17  31.776  10.343  -1.689
  147   HD13  LEU  17          HD13      LEU  17  32.920  10.313  -0.326
  148   HD21  LEU  17          HD21      LEU  17  32.359  11.698  -3.774
  149   HD22  LEU  17          HD22      LEU  17  33.559  10.395  -3.948
  150   HD23  LEU  17          HD23      LEU  17  34.074  12.095  -4.037
  151    H    ASP  18           HN       ASP  18  33.740  16.448  -2.274
  152    HA   ASP  18           HA       ASP  18  32.658  17.852  -3.764
  153    HB2  ASP  18           HB2      ASP  18  34.353  16.960  -5.312
  154    HB3  ASP  18           HB1      ASP  18  33.276  15.605  -5.724
  155    H    HIS  19           HN       HIS  19  31.645  14.861  -5.420
  156    HA   HIS  19           HA       HIS  19  28.935  15.678  -5.653
  157    HB2  HIS  19           HB2      HIS  19  30.085  12.859  -5.612
  158    HB3  HIS  19           HB1      HIS  19  28.483  13.320  -6.235
  159    HD1  HIS  19           HD1      HIS  19  31.977  12.927  -7.248
  160    HD2  HIS  19           HD2      HIS  19  28.695  15.233  -8.512
  161    HE1  HIS  19           HE1      HIS  19  32.531  13.830  -9.573
  162    H    LEU  20           HN       LEU  20  30.689  14.365  -2.974
  163    HA   LEU  20           HA       LEU  20  30.012  13.686  -0.868
  164    HB2  LEU  20           HB2      LEU  20  29.165  16.015  -0.843
  165    HB3  LEU  20           HB1      LEU  20  27.622  15.458  -1.523
  166    HG   LEU  20           HG       LEU  20  27.262  14.026   0.492
  167   HD11  LEU  20          HD11      LEU  20  28.837  14.719   2.507
  168   HD12  LEU  20          HD12      LEU  20  29.991  15.146   1.221
  169   HD13  LEU  20          HD13      LEU  20  29.388  13.477   1.362
  170   HD21  LEU  20          HD21      LEU  20  26.378  16.341   0.391
  171   HD22  LEU  20          HD22      LEU  20  27.890  16.949   1.106
  172   HD23  LEU  20          HD23      LEU  20  26.818  15.892   2.055
  Start of MODEL   62
    1    H1   TRP   1           HT1      TRP   1  38.518  -0.073   8.613
    2    H2   TRP   1           HT2      TRP   1  37.584  -0.831   9.814
    3    H3   TRP   1           HT3      TRP   1  39.150  -0.278  10.172
    4    HA   TRP   1           HA       TRP   1  37.442   1.752   9.124
    5    HB2  TRP   1           HB2      TRP   1  36.822   0.692  11.903
    6    HB3  TRP   1           HB1      TRP   1  35.958   1.947  10.981
    7    HD1  TRP   1           HD1      TRP   1  35.444   0.673   8.273
    8    HE1  TRP   1           HE1      TRP   1  33.951  -1.433   7.957
    9    HE3  TRP   1           HE3      TRP   1  35.709  -1.226  13.020
   10    HZ2  TRP   1           HZ2      TRP   1  33.017  -3.627   9.571
   11    HZ3  TRP   1           HZ3      TRP   1  34.509  -3.326  13.610
   12    HH2  TRP   1           HH2      TRP   1  33.165  -4.528  11.890
   13    H    LEU   2           HN       LEU   2  39.019   3.241   9.156
   14    HA   LEU   2           HA       LEU   2  41.072   3.277  11.210
   15    HB2  LEU   2           HB2      LEU   2  41.609   4.117   9.010
   16    HB3  LEU   2           HB1      LEU   2  40.244   5.253   9.049
   17    HG   LEU   2           HG       LEU   2  41.306   6.581  10.785
   18   HD11  LEU   2          HD11      LEU   2  43.271   4.258  10.894
   19   HD12  LEU   2          HD12      LEU   2  42.333   4.981  12.224
   20   HD13  LEU   2          HD13      LEU   2  43.697   5.872  11.514
   21   HD21  LEU   2          HD21      LEU   2  43.452   5.799   8.767
   22   HD22  LEU   2          HD22      LEU   2  43.260   7.369   9.583
   23   HD23  LEU   2          HD23      LEU   2  42.060   6.839   8.381
   24    H    ARG   3           HN       ARG   3  38.911   5.956  10.302
   25    HA   ARG   3           HA       ARG   3  37.922   6.240  13.075
   26    HB2  ARG   3           HB2      ARG   3  40.133   7.427  13.081
   27    HB3  ARG   3           HB1      ARG   3  39.548   8.456  11.752
   28    HG2  ARG   3           HG2      ARG   3  37.807   9.397  13.127
   29    HG3  ARG   3           HG1      ARG   3  38.084   8.194  14.410
   30    HD2  ARG   3           HD2      ARG   3  40.230   9.141  14.955
   31    HD3  ARG   3           HD1      ARG   3  40.214  10.170  13.501
   32    HE   ARG   3           HE       ARG   3  37.954  10.686  15.285
   33   HH11  ARG   3          HH11      ARG   3  37.920  13.034  15.386
   34   HH12  ARG   3          HH12      ARG   3  39.402  13.819  15.823
   35   HH21  ARG   3          HH21      ARG   3  41.324  10.951  15.504
   36   HH22  ARG   3          HH22      ARG   3  41.329  12.640  15.890
   37    H    ARG   4           HN       ARG   4  37.845   6.613   9.715
   38    HA   ARG   4           HA       ARG   4  35.063   7.501   9.787
   39    HB2  ARG   4           HB2      ARG   4  36.577   9.632   9.951
   40    HB3  ARG   4           HB1      ARG   4  36.971   9.303   8.249
   41    HG2  ARG   4           HG2      ARG   4  34.579   9.394   7.655
   42    HG3  ARG   4           HG1      ARG   4  34.147   9.642   9.364
   43    HD2  ARG   4           HD2      ARG   4  35.448  11.749   9.389
   44    HD3  ARG   4           HD1      ARG   4  35.880  11.504   7.681
   45    HE   ARG   4           HE       ARG   4  33.397  12.604   8.621
   46   HH11  ARG   4          HH11      ARG   4  34.170  13.215   5.918
   47   HH12  ARG   4          HH12      ARG   4  33.163  12.200   4.942
   48   HH21  ARG   4          HH21      ARG   4  32.330  10.069   7.547
   49   HH22  ARG   4          HH22      ARG   4  32.122  10.418   5.863
   50    H    ILE   5           HN       ILE   5  37.446   5.632   8.696
   51    HA   ILE   5           HA       ILE   5  37.688   4.248   6.864
   52    HB   ILE   5           HB       ILE   5  34.919   5.132   5.949
   53   HG12  ILE   5          HG12      ILE   5  35.712   3.069   8.055
   54   HG13  ILE   5          HG11      ILE   5  34.797   4.569   8.338
   55   HG21  ILE   5          HG21      ILE   5  34.839   2.990   4.880
   56   HG22  ILE   5          HG22      ILE   5  36.271   2.410   5.764
   57   HG23  ILE   5          HG23      ILE   5  36.446   3.647   4.498
   58   HD11  ILE   5           HD1      ILE   5  33.922   2.071   6.851
   59   HD12  ILE   5           HD2      ILE   5  33.104   3.633   6.593
   60   HD13  ILE   5           HD3      ILE   5  33.122   2.892   8.210
   61    H    GLY   6           HN       GLY   6  35.560   6.667   5.284
   62    HA2  GLY   6           HA1      GLY   6  37.553   6.976   3.138
   63    HA3  GLY   6           HA2      GLY   6  35.938   7.708   3.218
   64    H    LYS   7           HN       LYS   7  38.997   7.818   5.105
   65    HA   LYS   7           HA       LYS   7  38.673  10.394   6.161
   66    HB2  LYS   7           HB2      LYS   7  40.527   8.709   6.640
   67    HB3  LYS   7           HB1      LYS   7  41.323   9.291   5.159
   68    HG2  LYS   7           HG2      LYS   7  41.429  11.564   6.050
   69    HG3  LYS   7           HG1      LYS   7  40.502  11.078   7.490
   70    HD2  LYS   7           HD2      LYS   7  42.313   9.474   8.094
   71    HD3  LYS   7           HD1      LYS   7  43.252  10.032   6.688
   72    HE2  LYS   7           HE2      LYS   7  42.346  11.746   9.043
   73    HE3  LYS   7           HE1      LYS   7  44.009  11.202   8.715
   74    HZ1  LYS   7           HZ1      LYS   7  43.662  12.352   6.464
   75    HZ2  LYS   7           HZ2      LYS   7  43.931  13.330   7.828
   76    HZ3  LYS   7           HZ3      LYS   7  42.360  13.143   7.209
   77    H    GLY   8           HN       GLY   8  38.516  12.366   5.333
   78    HA2  GLY   8           HA1      GLY   8  38.470  12.921   2.585
   79    HA3  GLY   8           HA2      GLY   8  38.737  14.130   3.855
   80    H    VAL   9           HN       VAL   9  39.920  13.196   1.033
   81    HA   VAL   9           HA       VAL   9  42.738  12.836   1.612
   82    HB   VAL   9           HB       VAL   9  41.354  13.755  -0.948
   83   HG11  VAL   9          HG11      VAL   9  43.521  12.854  -1.973
   84   HG12  VAL   9          HG12      VAL   9  44.194  12.849  -0.325
   85   HG13  VAL   9          HG13      VAL   9  43.678  14.380  -1.071
   86   HG21  VAL   9          HG21      VAL   9  40.669  11.501  -0.101
   87   HG22  VAL   9          HG22      VAL   9  42.380  11.014  -0.080
   88   HG23  VAL   9          HG23      VAL   9  41.584  11.402  -1.625
   89    H    LYS  10           HN       LYS  10  41.500  15.486  -0.426
   90    HA   LYS  10           HA       LYS  10  42.289  17.595   1.366
   91    HB2  LYS  10           HB2      LYS  10  44.561  16.821   0.927
   92    HB3  LYS  10           HB1      LYS  10  44.263  16.827  -0.824
   93    HG2  LYS  10           HG2      LYS  10  45.558  18.819  -0.063
   94    HG3  LYS  10           HG1      LYS  10  44.014  19.273  -0.813
   95    HD2  LYS  10           HD2      LYS  10  43.016  19.815   1.276
   96    HD3  LYS  10           HD1      LYS  10  44.232  18.900   2.199
   97    HE2  LYS  10           HE2      LYS  10  44.785  21.434   0.591
   98    HE3  LYS  10           HE1      LYS  10  44.585  21.364   2.357
   99    HZ1  LYS  10           HZ1      LYS  10  46.712  20.822   2.522
  100    HZ2  LYS  10           HZ2      LYS  10  46.890  20.842   0.832
  101    HZ3  LYS  10           HZ3      LYS  10  46.441  19.408   1.623
  102    H    ILE  11           HN       ILE  11  41.309  16.308  -1.687
  103    HA   ILE  11           HA       ILE  11  40.142  18.982  -2.420
  104    HB   ILE  11           HB       ILE  11  41.354  17.088  -4.474
  105   HG12  ILE  11          HG12      ILE  11  42.590  19.539  -3.133
  106   HG13  ILE  11          HG11      ILE  11  43.172  17.862  -3.017
  107   HG21  ILE  11          HG21      ILE  11  41.058  18.920  -5.993
  108   HG22  ILE  11          HG22      ILE  11  40.744  20.067  -4.668
  109   HG23  ILE  11          HG23      ILE  11  39.541  18.820  -5.072
  110   HD11  ILE  11           HD1      ILE  11  43.209  19.715  -5.422
  111   HD12  ILE  11           HD2      ILE  11  43.344  17.950  -5.616
  112   HD13  ILE  11           HD3      ILE  11  44.563  18.839  -4.674
  113    H    ILE  12           HN       ILE  12  40.240  15.460  -3.064
  114    HA   ILE  12           HA       ILE  12  37.524  15.497  -4.183
  115    HB   ILE  12           HB       ILE  12  39.292  13.187  -3.297
  116   HG12  ILE  12          HG12      ILE  12  38.872  14.291  -6.116
  117   HG13  ILE  12          HG11      ILE  12  40.253  14.730  -5.089
  118   HG21  ILE  12          HG21      ILE  12  36.826  13.304  -5.103
  119   HG22  ILE  12          HG22      ILE  12  36.937  12.506  -3.518
  120   HG23  ILE  12          HG23      ILE  12  37.846  11.864  -4.896
  121   HD11  ILE  12           HD1      ILE  12  39.617  12.073  -6.397
  122   HD12  ILE  12           HD2      ILE  12  40.582  12.093  -4.902
  123   HD13  ILE  12           HD3      ILE  12  41.155  12.962  -6.344
  124    H    GLY  13           HN       GLY  13  38.446  13.003  -1.854
  125    HA2  GLY  13           HA1      GLY  13  36.000  13.225  -0.392
  126    HA3  GLY  13           HA2      GLY  13  37.487  12.425   0.177
  127    H    GLY  14           HN       GLY  14  38.563  15.201  -0.779
  128    HA2  GLY  14           HA1      GLY  14  38.705  16.393   1.909
  129    HA3  GLY  14           HA2      GLY  14  39.531  16.953   0.437
  130    H    ALA  15           HN       ALA  15  37.431  17.245  -1.378
  131    HA   ALA  15           HA       ALA  15  36.095  19.642  -0.175
  132    HB1  ALA  15           HB1      ALA  15  35.862  18.479  -2.978
  133    HB2  ALA  15           HB2      ALA  15  37.033  19.732  -2.492
  134    HB3  ALA  15           HB3      ALA  15  35.288  20.069  -2.432
  135    H    ALA  16           HN       ALA  16  35.591  16.943   0.787
  136    HA   ALA  16           HA       ALA  16  33.753  15.799   1.578
  137    HB1  ALA  16           HB1      ALA  16  31.849  17.520  -0.028
  138    HB2  ALA  16           HB2      ALA  16  32.673  18.190   1.400
  139    HB3  ALA  16           HB3      ALA  16  31.620  16.766   1.568
  140    H    LEU  17           HN       LEU  17  35.260  15.047  -0.744
  141    HA   LEU  17           HA       LEU  17  35.077  13.610  -2.562
  142    HB2  LEU  17           HB2      LEU  17  33.734  12.447  -0.534
  143    HB3  LEU  17           HB1      LEU  17  32.367  12.633  -1.649
  144    HG   LEU  17           HG       LEU  17  35.016  11.277  -2.355
  145   HD11  LEU  17          HD11      LEU  17  33.670  10.054  -0.633
  146   HD12  LEU  17          HD12      LEU  17  33.780   9.176  -2.178
  147   HD13  LEU  17          HD13      LEU  17  32.291  10.054  -1.757
  148   HD21  LEU  17          HD21      LEU  17  33.640  10.432  -4.300
  149   HD22  LEU  17          HD22      LEU  17  33.914  12.189  -4.331
  150   HD23  LEU  17          HD23      LEU  17  32.342  11.540  -3.802
  151    H    ASP  18           HN       ASP  18  34.475  16.090  -3.292
  152    HA   ASP  18           HA       ASP  18  33.353  17.348  -4.878
  153    HB2  ASP  18           HB2      ASP  18  32.490  14.615  -5.910
  154    HB3  ASP  18           HB1      ASP  18  32.441  16.144  -6.820
  155    H    HIS  19           HN       HIS  19  30.995  14.670  -4.885
  156    HA   HIS  19           HA       HIS  19  29.101  16.141  -3.197
  157    HB2  HIS  19           HB2      HIS  19  27.370  16.297  -5.036
  158    HB3  HIS  19           HB1      HIS  19  28.736  17.424  -5.209
  159    HD1  HIS  19           HD1      HIS  19  27.810  17.253  -7.838
  160    HD2  HIS  19           HD2      HIS  19  29.959  13.994  -6.269
  161    HE1  HIS  19           HE1      HIS  19  28.609  15.843  -9.814
  162    H    LEU  20           HN       LEU  20  30.183  13.675  -2.809
  163    HA   LEU  20           HA       LEU  20  27.786  12.010  -2.817
  164    HB2  LEU  20           HB2      LEU  20  28.979  11.793  -5.172
  165    HB3  LEU  20           HB1      LEU  20  30.138  10.777  -4.287
  166    HG   LEU  20           HG       LEU  20  27.117  10.358  -4.474
  167   HD11  LEU  20          HD11      LEU  20  28.539   9.777  -6.488
  168   HD12  LEU  20          HD12      LEU  20  27.691   8.388  -5.768
  169   HD13  LEU  20          HD13      LEU  20  29.427   8.630  -5.458
  170   HD21  LEU  20          HD21      LEU  20  27.783   8.136  -3.299
  171   HD22  LEU  20          HD22      LEU  20  27.723   9.600  -2.294
  172   HD23  LEU  20          HD23      LEU  20  29.291   8.968  -2.856
  Start of MODEL   63
    1    H1   TRP   1           HT1      TRP   1  41.712  18.741  16.362
    2    H2   TRP   1           HT2      TRP   1  40.140  18.908  16.983
    3    H3   TRP   1           HT3      TRP   1  40.526  19.541  15.454
    4    HA   TRP   1           HA       TRP   1  41.177  16.824  15.517
    5    HB2  TRP   1           HB2      TRP   1  38.280  17.470  16.186
    6    HB3  TRP   1           HB1      TRP   1  38.977  15.860  15.887
    7    HD1  TRP   1           HD1      TRP   1  38.166  18.150  18.629
    8    HE1  TRP   1           HE1      TRP   1  39.333  17.462  20.848
    9    HE3  TRP   1           HE3      TRP   1  41.546  14.795  16.752
   10    HZ2  TRP   1           HZ2      TRP   1  41.451  15.687  21.663
   11    HZ3  TRP   1           HZ3      TRP   1  43.131  13.616  18.268
   12    HH2  TRP   1           HH2      TRP   1  43.087  14.058  20.720
   13    H    LEU   2           HN       LEU   2  41.651  18.652  13.663
   14    HA   LEU   2           HA       LEU   2  41.337  19.104  11.415
   15    HB2  LEU   2           HB2      LEU   2  39.196  16.957  11.384
   16    HB3  LEU   2           HB1      LEU   2  40.222  17.508  10.043
   17    HG   LEU   2           HG       LEU   2  41.117  15.973  12.523
   18   HD11  LEU   2          HD11      LEU   2  41.268  15.274   9.560
   19   HD12  LEU   2          HD12      LEU   2  39.986  14.706  10.656
   20   HD13  LEU   2          HD13      LEU   2  41.676  14.220  10.934
   21   HD21  LEU   2          HD21      LEU   2  43.370  15.994  11.227
   22   HD22  LEU   2          HD22      LEU   2  42.910  17.487  12.074
   23   HD23  LEU   2          HD23      LEU   2  42.689  17.359  10.311
   24    H    ARG   3           HN       ARG   3  38.915  19.452  13.708
   25    HA   ARG   3           HA       ARG   3  37.106  20.874  13.861
   26    HB2  ARG   3           HB2      ARG   3  37.926  22.030  11.172
   27    HB3  ARG   3           HB1      ARG   3  36.982  22.810  12.459
   28    HG2  ARG   3           HG2      ARG   3  38.944  22.688  13.974
   29    HG3  ARG   3           HG1      ARG   3  39.896  21.934  12.674
   30    HD2  ARG   3           HD2      ARG   3  38.536  24.644  12.389
   31    HD3  ARG   3           HD1      ARG   3  40.222  24.447  12.925
   32    HE   ARG   3           HE       ARG   3  39.916  22.989  10.504
   33   HH11  ARG   3          HH11      ARG   3  38.245  25.476   9.941
   34   HH12  ARG   3          HH12      ARG   3  39.432  26.523   9.237
   35   HH21  ARG   3          HH21      ARG   3  42.131  24.653  10.352
   36   HH22  ARG   3          HH22      ARG   3  41.632  26.057   9.468
   37    H    ARG   4           HN       ARG   4  37.261  20.473  10.291
   38    HA   ARG   4           HA       ARG   4  34.459  20.073  10.018
   39    HB2  ARG   4           HB2      ARG   4  36.165  20.637   8.202
   40    HB3  ARG   4           HB1      ARG   4  36.596  18.913   8.192
   41    HG2  ARG   4           HG2      ARG   4  34.347  18.280   7.548
   42    HG3  ARG   4           HG1      ARG   4  33.754  19.941   7.782
   43    HD2  ARG   4           HD2      ARG   4  35.835  19.069   5.730
   44    HD3  ARG   4           HD1      ARG   4  34.134  19.459   5.382
   45    HE   ARG   4           HE       ARG   4  35.371  21.668   6.745
   46   HH11  ARG   4          HH11      ARG   4  36.173  19.919   3.945
   47   HH12  ARG   4          HH12      ARG   4  36.229  21.304   2.906
   48   HH21  ARG   4          HH21      ARG   4  35.066  23.497   5.327
   49   HH22  ARG   4          HH22      ARG   4  35.604  23.329   3.689
   50    H    ILE   5           HN       ILE   5  36.772  18.082  11.458
   51    HA   ILE   5           HA       ILE   5  36.913  15.765  11.808
   52    HB   ILE   5           HB       ILE   5  34.850  14.877  12.960
   53   HG12  ILE   5          HG12      ILE   5  33.728  17.662  12.394
   54   HG13  ILE   5          HG11      ILE   5  33.230  16.196  11.521
   55   HG21  ILE   5          HG21      ILE   5  35.074  16.307  14.879
   56   HG22  ILE   5          HG22      ILE   5  35.567  17.690  13.877
   57   HG23  ILE   5          HG23      ILE   5  36.657  16.300  14.073
   58   HD11  ILE   5           HD1      ILE   5  32.715  15.202  13.867
   59   HD12  ILE   5           HD2      ILE   5  31.608  16.442  13.236
   60   HD13  ILE   5           HD3      ILE   5  32.828  16.880  14.452
   61    H    GLY   6           HN       GLY   6  36.639  16.143   9.087
   62    HA2  GLY   6           HA1      GLY   6  35.590  13.563   8.316
   63    HA3  GLY   6           HA2      GLY   6  34.510  14.871   7.792
   64    H    LYS   7           HN       LYS   7  37.541  16.183   7.952
   65    HA   LYS   7           HA       LYS   7  37.798  16.574   5.166
   66    HB2  LYS   7           HB2      LYS   7  38.985  17.809   7.061
   67    HB3  LYS   7           HB1      LYS   7  40.131  16.447   7.113
   68    HG2  LYS   7           HG2      LYS   7  40.435  16.837   4.565
   69    HG3  LYS   7           HG1      LYS   7  39.610  18.392   4.830
   70    HD2  LYS   7           HD2      LYS   7  42.170  17.442   6.193
   71    HD3  LYS   7           HD1      LYS   7  42.039  18.716   4.958
   72    HE2  LYS   7           HE2      LYS   7  40.408  19.892   6.592
   73    HE3  LYS   7           HE1      LYS   7  41.014  18.751   7.819
   74    HZ1  LYS   7           HZ1      LYS   7  42.840  19.961   8.034
   75    HZ2  LYS   7           HZ2      LYS   7  42.194  21.117   6.970
   76    HZ3  LYS   7           HZ3      LYS   7  43.177  19.866   6.376
   77    H    GLY   8           HN       GLY   8  37.614  14.769   3.895
   78    HA2  GLY   8           HA1      GLY   8  38.894  12.278   4.395
   79    HA3  GLY   8           HA2      GLY   8  38.327  12.853   2.814
   80    H    VAL   9           HN       VAL   9  39.768  13.394   1.290
   81    HA   VAL   9           HA       VAL   9  42.605  12.932   1.886
   82    HB   VAL   9           HB       VAL   9  41.251  13.893  -0.677
   83   HG11  VAL   9          HG11      VAL   9  44.060  12.908  -0.026
   84   HG12  VAL   9          HG12      VAL   9  43.594  14.473  -0.737
   85   HG13  VAL   9          HG13      VAL   9  43.412  12.976  -1.683
   86   HG21  VAL   9          HG21      VAL   9  42.187  11.124   0.205
   87   HG22  VAL   9          HG22      VAL   9  41.487  11.534  -1.379
   88   HG23  VAL   9          HG23      VAL   9  40.491  11.653   0.091
   89    H    LYS  10           HN       LYS  10  41.324  15.597  -0.111
   90    HA   LYS  10           HA       LYS  10  42.091  17.702   1.705
   91    HB2  LYS  10           HB2      LYS  10  44.373  16.853   1.128
   92    HB3  LYS  10           HB1      LYS  10  44.029  17.185  -0.587
   93    HG2  LYS  10           HG2      LYS  10  43.737  19.560  -0.129
   94    HG3  LYS  10           HG1      LYS  10  43.884  19.281   1.623
   95    HD2  LYS  10           HD2      LYS  10  46.201  18.502   1.328
   96    HD3  LYS  10           HD1      LYS  10  46.061  18.705  -0.434
   97    HE2  LYS  10           HE2      LYS  10  47.208  20.643   0.629
   98    HE3  LYS  10           HE1      LYS  10  45.679  21.123  -0.146
   99    HZ1  LYS  10           HZ1      LYS  10  44.752  21.620   1.818
  100    HZ2  LYS  10           HZ2      LYS  10  46.350  21.701   2.392
  101    HZ3  LYS  10           HZ3      LYS  10  45.434  20.287   2.617
  102    H    ILE  11           HN       ILE  11  41.307  16.463  -1.461
  103    HA   ILE  11           HA       ILE  11  39.933  19.061  -2.102
  104    HB   ILE  11           HB       ILE  11  41.395  17.390  -4.191
  105   HG12  ILE  11          HG12      ILE  11  42.334  19.899  -2.722
  106   HG13  ILE  11          HG11      ILE  11  43.053  18.277  -2.591
  107   HG21  ILE  11          HG21      ILE  11  39.449  18.971  -4.789
  108   HG22  ILE  11          HG22      ILE  11  40.984  19.258  -5.638
  109   HG23  ILE  11          HG23      ILE  11  40.509  20.304  -4.277
  110   HD11  ILE  11           HD1      ILE  11  43.361  18.420  -5.174
  111   HD12  ILE  11           HD2      ILE  11  44.443  19.398  -4.156
  112   HD13  ILE  11           HD3      ILE  11  43.061  20.162  -4.971
  113    H    ILE  12           HN       ILE  12  40.400  15.632  -3.045
  114    HA   ILE  12           HA       ILE  12  37.715  15.464  -4.199
  115    HB   ILE  12           HB       ILE  12  39.672  13.300  -3.358
  116   HG12  ILE  12          HG12      ILE  12  40.764  14.741  -4.963
  117   HG13  ILE  12          HG11      ILE  12  40.301  13.254  -5.812
  118   HG21  ILE  12          HG21      ILE  12  37.051  13.262  -4.880
  119   HG22  ILE  12          HG22      ILE  12  37.687  12.107  -3.691
  120   HG23  ILE  12          HG23      ILE  12  38.315  12.103  -5.353
  121   HD11  ILE  12           HD1      ILE  12  39.633  14.945  -7.317
  122   HD12  ILE  12           HD2      ILE  12  39.085  16.026  -6.017
  123   HD13  ILE  12           HD3      ILE  12  38.123  14.594  -6.450
  124    H    GLY  13           HN       GLY  13  38.739  12.884  -2.033
  125    HA2  GLY  13           HA1      GLY  13  36.284  12.742  -0.633
  126    HA3  GLY  13           HA2      GLY  13  37.843  12.138  -0.030
  127    H    GLY  14           HN       GLY  14  38.651  15.036  -0.736
  128    HA2  GLY  14           HA1      GLY  14  38.432  16.082   2.000
  129    HA3  GLY  14           HA2      GLY  14  39.275  16.832   0.625
  130    H    ALA  15           HN       ALA  15  37.319  17.034  -1.317
  131    HA   ALA  15           HA       ALA  15  35.572  19.122  -0.062
  132    HB1  ALA  15           HB1      ALA  15  34.986  19.731  -2.324
  133    HB2  ALA  15           HB2      ALA  15  35.737  18.258  -2.975
  134    HB3  ALA  15           HB3      ALA  15  36.751  19.533  -2.250
  135    H    ALA  16           HN       ALA  16  35.345  16.275   0.547
  136    HA   ALA  16           HA       ALA  16  33.578  14.873   1.045
  137    HB1  ALA  16           HB1      ALA  16  32.216  17.119   0.887
  138    HB2  ALA  16           HB2      ALA  16  31.353  15.563   0.842
  139    HB3  ALA  16           HB3      ALA  16  31.652  16.459  -0.665
  140    H    LEU  17           HN       LEU  17  35.418  14.435  -1.081
  141    HA   LEU  17           HA       LEU  17  35.635  12.986  -2.888
  142    HB2  LEU  17           HB2      LEU  17  33.794  11.794  -1.280
  143    HB3  LEU  17           HB1      LEU  17  32.785  12.014  -2.723
  144    HG   LEU  17           HG       LEU  17  35.516  10.637  -2.669
  145   HD11  LEU  17          HD11      LEU  17  32.672   9.549  -2.837
  146   HD12  LEU  17          HD12      LEU  17  33.835   9.294  -1.514
  147   HD13  LEU  17          HD13      LEU  17  34.140   8.583  -3.117
  148   HD21  LEU  17          HD21      LEU  17  33.417  10.970  -4.861
  149   HD22  LEU  17          HD22      LEU  17  34.854   9.927  -4.978
  150   HD23  LEU  17          HD23      LEU  17  35.045  11.690  -4.839
  151    H    ASP  18           HN       ASP  18  35.006  15.635  -3.445
  152    HA   ASP  18           HA       ASP  18  34.123  17.006  -5.105
  153    HB2  ASP  18           HB2      ASP  18  35.609  15.449  -6.411
  154    HB3  ASP  18           HB1      ASP  18  34.177  14.453  -6.758
  155    H    HIS  19           HN       HIS  19  32.207  15.672  -3.337
  156    HA   HIS  19           HA       HIS  19  29.917  15.343  -3.176
  157    HB2  HIS  19           HB2      HIS  19  29.898  17.664  -4.042
  158    HB3  HIS  19           HB1      HIS  19  29.876  17.036  -5.707
  159    HD1  HIS  19           HD1      HIS  19  27.666  16.200  -6.657
  160    HD2  HIS  19           HD2      HIS  19  27.479  16.976  -2.529
  161    HE1  HIS  19           HE1      HIS  19  25.207  16.084  -5.970
  162    H    LEU  20           HN       LEU  20  30.476  13.054  -3.705
  163    HA   LEU  20           HA       LEU  20  30.292  11.912  -6.259
  164    HB2  LEU  20           HB2      LEU  20  30.840  10.772  -4.036
  165    HB3  LEU  20           HB1      LEU  20  29.088  10.691  -3.751
  166    HG   LEU  20           HG       LEU  20  29.011   9.575  -6.161
  167   HD11  LEU  20          HD11      LEU  20  31.078   8.173  -6.553
  168   HD12  LEU  20          HD12      LEU  20  31.917   9.142  -5.322
  169   HD13  LEU  20          HD13      LEU  20  31.335   9.911  -6.816
  170   HD21  LEU  20          HD21      LEU  20  29.369   7.339  -5.124
  171   HD22  LEU  20          HD22      LEU  20  28.418   8.411  -4.068
  172   HD23  LEU  20          HD23      LEU  20  30.141   8.121  -3.724
  Start of MODEL   64
    1    H1   TRP   1           HT1      TRP   1  36.851   1.962   5.023
    2    H2   TRP   1           HT2      TRP   1  36.890   2.217   6.704
    3    H3   TRP   1           HT3      TRP   1  37.520   0.784   6.042
    4    HA   TRP   1           HA       TRP   1  38.685   3.398   6.289
    5    HB2  TRP   1           HB2      TRP   1  40.764   1.979   6.208
    6    HB3  TRP   1           HB1      TRP   1  39.615   1.506   7.483
    7    HD1  TRP   1           HD1      TRP   1  41.184   0.310   4.252
    8    HE1  TRP   1           HE1      TRP   1  40.516  -2.161   3.791
    9    HE3  TRP   1           HE3      TRP   1  37.634  -0.259   7.896
   10    HZ2  TRP   1           HZ2      TRP   1  38.682  -4.096   4.880
   11    HZ3  TRP   1           HZ3      TRP   1  36.437  -2.426   8.167
   12    HH2  TRP   1           HH2      TRP   1  36.958  -4.343   6.663
   13    H    LEU   2           HN       LEU   2  40.100   4.347   4.808
   14    HA   LEU   2           HA       LEU   2  39.329   3.944   2.018
   15    HB2  LEU   2           HB2      LEU   2  41.614   5.675   2.994
   16    HB3  LEU   2           HB1      LEU   2  40.575   5.902   1.567
   17    HG   LEU   2           HG       LEU   2  39.746   6.154   4.492
   18   HD11  LEU   2          HD11      LEU   2  39.409   8.501   3.949
   19   HD12  LEU   2          HD12      LEU   2  39.765   8.200   2.231
   20   HD13  LEU   2          HD13      LEU   2  41.056   8.047   3.448
   21   HD21  LEU   2          HD21      LEU   2  37.549   6.958   3.394
   22   HD22  LEU   2          HD22      LEU   2  37.857   5.207   3.359
   23   HD23  LEU   2          HD23      LEU   2  38.141   6.191   1.902
   24    H    ARG   3           HN       ARG   3  42.595   4.188   3.412
   25    HA   ARG   3           HA       ARG   3  43.481   1.604   2.499
   26    HB2  ARG   3           HB2      ARG   3  43.232   2.649   0.261
   27    HB3  ARG   3           HB1      ARG   3  44.286   3.988   0.773
   28    HG2  ARG   3           HG2      ARG   3  46.178   2.520   1.027
   29    HG3  ARG   3           HG1      ARG   3  45.159   1.071   0.854
   30    HD2  ARG   3           HD2      ARG   3  46.358   1.516  -1.250
   31    HD3  ARG   3           HD1      ARG   3  44.609   1.757  -1.478
   32    HE   ARG   3           HE       ARG   3  45.047   4.044  -1.878
   33   HH11  ARG   3          HH11      ARG   3  46.359   4.884   0.566
   34   HH12  ARG   3          HH12      ARG   3  47.986   5.215   0.076
   35   HH21  ARG   3          HH21      ARG   3  47.731   3.449  -2.898
   36   HH22  ARG   3          HH22      ARG   3  48.764   4.403  -1.886
   37    H    ARG   4           HN       ARG   4  43.747   4.702   3.819
   38    HA   ARG   4           HA       ARG   4  45.873   3.963   5.600
   39    HB2  ARG   4           HB2      ARG   4  47.535   5.694   4.806
   40    HB3  ARG   4           HB1      ARG   4  47.372   4.287   3.726
   41    HG2  ARG   4           HG2      ARG   4  45.863   5.551   2.256
   42    HG3  ARG   4           HG1      ARG   4  45.925   6.947   3.357
   43    HD2  ARG   4           HD2      ARG   4  47.475   7.165   1.386
   44    HD3  ARG   4           HD1      ARG   4  48.314   7.227   2.953
   45    HE   ARG   4           HE       ARG   4  48.289   4.517   2.076
   46   HH11  ARG   4          HH11      ARG   4  50.405   3.776   1.605
   47   HH12  ARG   4          HH12      ARG   4  51.458   4.805   0.693
   48   HH21  ARG   4          HH21      ARG   4  49.285   7.506   0.731
   49   HH22  ARG   4          HH22      ARG   4  50.824   6.917   0.198
   50    H    ILE   5           HN       ILE   5  43.203   5.592   4.719
   51    HA   ILE   5           HA       ILE   5  42.058   7.414   5.589
   52    HB   ILE   5           HB       ILE   5  43.893   7.166   8.010
   53   HG12  ILE   5          HG12      ILE   5  43.219   4.911   7.559
   54   HG13  ILE   5          HG11      ILE   5  42.142   5.488   8.844
   55   HG21  ILE   5          HG21      ILE   5  42.471   9.026   8.320
   56   HG22  ILE   5          HG22      ILE   5  41.597   7.719   9.144
   57   HG23  ILE   5          HG23      ILE   5  41.090   8.246   7.525
   58   HD11  ILE   5           HD1      ILE   5  40.737   4.355   7.273
   59   HD12  ILE   5           HD2      ILE   5  41.522   5.140   5.884
   60   HD13  ILE   5           HD3      ILE   5  40.474   6.085   6.967
   61    H    GLY   6           HN       GLY   6  43.674   8.362   3.790
   62    HA2  GLY   6           HA1      GLY   6  44.116  11.019   4.326
   63    HA3  GLY   6           HA2      GLY   6  45.625  10.262   4.875
   64    H    LYS   7           HN       LYS   7  43.790   8.848   2.255
   65    HA   LYS   7           HA       LYS   7  45.956   8.747   0.473
   66    HB2  LYS   7           HB2      LYS   7  43.980   7.409   0.096
   67    HB3  LYS   7           HB1      LYS   7  42.961   8.855  -0.054
   68    HG2  LYS   7           HG2      LYS   7  43.562   7.762  -2.258
   69    HG3  LYS   7           HG1      LYS   7  44.020   9.476  -2.148
   70    HD2  LYS   7           HD2      LYS   7  46.325   8.965  -1.843
   71    HD3  LYS   7           HD1      LYS   7  45.985   7.268  -1.427
   72    HE2  LYS   7           HE2      LYS   7  46.899   7.715  -3.795
   73    HE3  LYS   7           HE1      LYS   7  45.427   6.721  -3.686
   74    HZ1  LYS   7           HZ1      LYS   7  45.523   8.694  -5.339
   75    HZ2  LYS   7           HZ2      LYS   7  45.207   9.650  -3.970
   76    HZ3  LYS   7           HZ3      LYS   7  44.111   8.436  -4.435
   77    H    GLY   8           HN       GLY   8  43.128  10.905  -0.026
   78    HA2  GLY   8           HA1      GLY   8  44.787  13.260  -0.354
   79    HA3  GLY   8           HA2      GLY   8  44.287  12.588  -1.920
   80    H    VAL   9           HN       VAL   9  42.618  12.840   1.241
   81    HA   VAL   9           HA       VAL   9  40.157  13.695  -0.083
   82    HB   VAL   9           HB       VAL   9  39.250  13.870   2.203
   83   HG11  VAL   9          HG11      VAL   9  39.480  11.532   2.811
   84   HG12  VAL   9          HG12      VAL   9  41.035  11.411   1.953
   85   HG13  VAL   9          HG13      VAL   9  39.526  11.634   1.034
   86   HG21  VAL   9          HG21      VAL   9  41.116  14.818   3.407
   87   HG22  VAL   9          HG22      VAL   9  42.171  13.453   2.968
   88   HG23  VAL   9          HG23      VAL   9  40.825  13.208   4.107
   89    H    LYS  10           HN       LYS  10  42.726  15.373  -0.181
   90    HA   LYS  10           HA       LYS  10  42.035  17.805   1.309
   91    HB2  LYS  10           HB2      LYS  10  44.036  17.340  -0.940
   92    HB3  LYS  10           HB1      LYS  10  43.950  18.779   0.102
   93    HG2  LYS  10           HG2      LYS  10  44.582  17.552   2.049
   94    HG3  LYS  10           HG1      LYS  10  44.273  15.985   1.267
   95    HD2  LYS  10           HD2      LYS  10  46.689  16.386   1.362
   96    HD3  LYS  10           HD1      LYS  10  46.141  16.443  -0.329
   97    HE2  LYS  10           HE2      LYS  10  46.264  18.824  -0.403
   98    HE3  LYS  10           HE1      LYS  10  46.370  18.957   1.370
   99    HZ1  LYS  10           HZ1      LYS  10  48.420  17.731  -0.411
  100    HZ2  LYS  10           HZ2      LYS  10  48.521  17.856   1.281
  101    HZ3  LYS  10           HZ3      LYS  10  48.529  19.258   0.321
  102    H    ILE  11           HN       ILE  11  41.073  16.340  -1.618
  103    HA   ILE  11           HA       ILE  11  39.780  18.912  -2.519
  104    HB   ILE  11           HB       ILE  11  40.892  16.795  -4.400
  105   HG12  ILE  11          HG12      ILE  11  42.138  19.433  -3.495
  106   HG13  ILE  11          HG11      ILE  11  42.767  17.803  -3.160
  107   HG21  ILE  11          HG21      ILE  11  40.184  19.713  -4.931
  108   HG22  ILE  11          HG22      ILE  11  38.999  18.398  -5.102
  109   HG23  ILE  11          HG23      ILE  11  40.455  18.418  -6.120
  110   HD11  ILE  11           HD1      ILE  11  42.632  19.274  -5.814
  111   HD12  ILE  11           HD2      ILE  11  42.796  17.502  -5.751
  112   HD13  ILE  11           HD3      ILE  11  44.044  18.539  -5.020
  113    H    ILE  12           HN       ILE  12  39.865  15.358  -2.530
  114    HA   ILE  12           HA       ILE  12  37.194  15.097  -3.682
  115    HB   ILE  12           HB       ILE  12  38.931  13.173  -2.108
  116   HG12  ILE  12          HG12      ILE  12  38.513  13.341  -5.131
  117   HG13  ILE  12          HG11      ILE  12  39.874  14.116  -4.292
  118   HG21  ILE  12          HG21      ILE  12  36.378  12.799  -3.731
  119   HG22  ILE  12          HG22      ILE  12  36.701  12.298  -2.054
  120   HG23  ILE  12          HG23      ILE  12  37.477  11.443  -3.399
  121   HD11  ILE  12           HD1      ILE  12  39.342  11.174  -4.760
  122   HD12  ILE  12           HD2      ILE  12  40.230  11.645  -3.292
  123   HD13  ILE  12           HD3      ILE  12  40.861  12.084  -4.894
  124    H    GLY  13           HN       GLY  13  38.091  13.454  -0.671
  125    HA2  GLY  13           HA1      GLY  13  35.579  14.015   0.596
  126    HA3  GLY  13           HA2      GLY  13  37.062  13.457   1.403
  127    H    GLY  14           HN       GLY  14  38.103  15.853  -0.355
  128    HA2  GLY  14           HA1      GLY  14  38.152  17.792   1.876
  129    HA3  GLY  14           HA2      GLY  14  39.005  17.917   0.321
  130    H    ALA  15           HN       ALA  15  36.916  17.561  -1.496
  131    HA   ALA  15           HA       ALA  15  35.502  20.178  -1.128
  132    HB1  ALA  15           HB1      ALA  15  34.811  19.882  -3.450
  133    HB2  ALA  15           HB2      ALA  15  35.469  18.230  -3.470
  134    HB3  ALA  15           HB3      ALA  15  36.565  19.626  -3.319
  135    H    ALA  16           HN       ALA  16  35.031  17.801   0.521
  136    HA   ALA  16           HA       ALA  16  33.172  16.887   1.544
  137    HB1  ALA  16           HB1      ALA  16  31.022  17.727   1.170
  138    HB2  ALA  16           HB2      ALA  16  31.303  17.983  -0.568
  139    HB3  ALA  16           HB3      ALA  16  32.041  19.079   0.626
  140    H    LEU  17           HN       LEU  17  34.811  15.540  -0.366
  141    HA   LEU  17           HA       LEU  17  34.762  13.534  -1.544
  142    HB2  LEU  17           HB2      LEU  17  33.066  13.089   0.464
  143    HB3  LEU  17           HB1      LEU  17  31.856  13.086  -0.835
  144    HG   LEU  17           HG       LEU  17  33.594  11.419  -2.023
  145   HD11  LEU  17          HD11      LEU  17  34.799  10.007  -0.418
  146   HD12  LEU  17          HD12      LEU  17  34.184  10.976   0.941
  147   HD13  LEU  17          HD13      LEU  17  35.325  11.694  -0.219
  148   HD21  LEU  17          HD21      LEU  17  31.712  10.707   0.269
  149   HD22  LEU  17          HD22      LEU  17  32.452   9.491  -0.802
  150   HD23  LEU  17          HD23      LEU  17  31.349  10.715  -1.473
  151    H    ASP  18           HN       ASP  18  34.447  15.741  -3.073
  152    HA   ASP  18           HA       ASP  18  33.664  16.465  -5.133
  153    HB2  ASP  18           HB2      ASP  18  33.124  13.482  -5.391
  154    HB3  ASP  18           HB1      ASP  18  33.007  14.639  -6.741
  155    H    HIS  19           HN       HIS  19  31.339  13.790  -4.956
  156    HA   HIS  19           HA       HIS  19  29.132  15.643  -4.226
  157    HB2  HIS  19           HB2      HIS  19  29.142  14.120  -6.864
  158    HB3  HIS  19           HB1      HIS  19  27.826  15.134  -6.228
  159    HD1  HIS  19           HD1      HIS  19  31.417  15.356  -7.508
  160    HD2  HIS  19           HD2      HIS  19  28.179  17.893  -6.627
  161    HE1  HIS  19           HE1      HIS  19  32.011  17.684  -8.383
  162    H    LEU  20           HN       LEU  20  29.913  13.794  -2.545
  163    HA   LEU  20           HA       LEU  20  29.279  11.866  -1.422
  164    HB2  LEU  20           HB2      LEU  20  26.663  12.015  -2.957
  165    HB3  LEU  20           HB1      LEU  20  26.949  11.427  -1.300
  166    HG   LEU  20           HG       LEU  20  27.200  14.307  -2.274
  167   HD11  LEU  20          HD11      LEU  20  24.877  13.527  -1.984
  168   HD12  LEU  20          HD12      LEU  20  25.310  14.677  -0.697
  169   HD13  LEU  20          HD13      LEU  20  25.268  12.931  -0.353
  170   HD21  LEU  20          HD21      LEU  20  28.883  14.034  -0.596
  171   HD22  LEU  20          HD22      LEU  20  27.851  12.963   0.383
  172   HD23  LEU  20          HD23      LEU  20  27.483  14.701   0.274
  Start of MODEL   65
    1    H1   TRP   1           HT1      TRP   1  38.890  12.945  17.430
    2    H2   TRP   1           HT2      TRP   1  38.516  12.017  16.056
    3    H3   TRP   1           HT3      TRP   1  37.559  11.896  17.456
    4    HA   TRP   1           HA       TRP   1  36.417  13.729  17.051
    5    HB2  TRP   1           HB2      TRP   1  38.609  15.047  17.258
    6    HB3  TRP   1           HB1      TRP   1  38.748  14.908  15.490
    7    HD1  TRP   1           HD1      TRP   1  35.966  15.950  17.999
    8    HE1  TRP   1           HE1      TRP   1  34.723  18.031  17.058
    9    HE3  TRP   1           HE3      TRP   1  38.520  16.492  13.596
   10    HZ2  TRP   1           HZ2      TRP   1  34.847  19.685  14.704
   11    HZ3  TRP   1           HZ3      TRP   1  37.941  18.329  12.017
   12    HH2  TRP   1           HH2      TRP   1  36.107  19.924  12.567
   13    H    LEU   2           HN       LEU   2  35.785  15.074  14.889
   14    HA   LEU   2           HA       LEU   2  34.749  14.815  12.841
   15    HB2  LEU   2           HB2      LEU   2  37.033  14.964  12.007
   16    HB3  LEU   2           HB1      LEU   2  37.296  13.235  12.311
   17    HG   LEU   2           HG       LEU   2  35.663  12.631  10.590
   18   HD11  LEU   2          HD11      LEU   2  33.954  14.273  10.705
   19   HD12  LEU   2          HD12      LEU   2  34.745  14.614   9.151
   20   HD13  LEU   2          HD13      LEU   2  35.110  15.620  10.574
   21   HD21  LEU   2          HD21      LEU   2  37.514  14.845   9.603
   22   HD22  LEU   2          HD22      LEU   2  36.824  13.535   8.616
   23   HD23  LEU   2          HD23      LEU   2  37.997  13.158   9.900
   24    H    ARG   3           HN       ARG   3  36.359  11.689  12.589
   25    HA   ARG   3           HA       ARG   3  34.206  10.069  13.589
   26    HB2  ARG   3           HB2      ARG   3  33.085  11.041  11.528
   27    HB3  ARG   3           HB1      ARG   3  34.339  10.240  10.551
   28    HG2  ARG   3           HG2      ARG   3  33.684   8.048  11.512
   29    HG3  ARG   3           HG1      ARG   3  32.418   8.852  12.473
   30    HD2  ARG   3           HD2      ARG   3  31.360   7.965  10.484
   31    HD3  ARG   3           HD1      ARG   3  31.453   9.732  10.294
   32    HE   ARG   3           HE       ARG   3  33.797   8.666   9.124
   33   HH11  ARG   3          HH11      ARG   3  31.729  10.359   7.705
   34   HH12  ARG   3          HH12      ARG   3  31.193   9.281   6.460
   35   HH21  ARG   3          HH21      ARG   3  32.523   6.456   7.967
   36   HH22  ARG   3          HH22      ARG   3  31.641   7.070   6.609
   37    H    ARG   4           HN       ARG   4  37.037  10.684  11.718
   38    HA   ARG   4           HA       ARG   4  38.257   8.179  12.591
   39    HB2  ARG   4           HB2      ARG   4  36.845   7.673  10.436
   40    HB3  ARG   4           HB1      ARG   4  38.117   8.570   9.578
   41    HG2  ARG   4           HG2      ARG   4  39.829   7.034  10.567
   42    HG3  ARG   4           HG1      ARG   4  38.521   6.117  11.352
   43    HD2  ARG   4           HD2      ARG   4  37.512   5.720   9.081
   44    HD3  ARG   4           HD1      ARG   4  38.932   6.510   8.356
   45    HE   ARG   4           HE       ARG   4  39.694   4.354  10.153
   46   HH11  ARG   4          HH11      ARG   4  41.409   3.474   8.661
   47   HH12  ARG   4          HH12      ARG   4  40.798   2.799   7.187
   48   HH21  ARG   4          HH21      ARG   4  37.650   4.210   7.535
   49   HH22  ARG   4          HH22      ARG   4  38.671   3.216   6.549
   50    H    ILE   5           HN       ILE   5  38.274  11.355  12.055
   51    HA   ILE   5           HA       ILE   5  39.875  12.955  11.445
   52    HB   ILE   5           HB       ILE   5  41.960  12.752  12.830
   53   HG12  ILE   5          HG12      ILE   5  40.740  10.106  13.753
   54   HG13  ILE   5          HG11      ILE   5  42.103  10.219  12.617
   55   HG21  ILE   5          HG21      ILE   5  39.724  13.602  13.699
   56   HG22  ILE   5          HG22      ILE   5  40.817  12.970  14.949
   57   HG23  ILE   5          HG23      ILE   5  39.450  11.982  14.380
   58   HD11  ILE   5           HD1      ILE   5  43.254  11.667  14.451
   59   HD12  ILE   5           HD2      ILE   5  43.131   9.916  14.735
   60   HD13  ILE   5           HD3      ILE   5  42.002  11.026  15.542
   61    H    GLY   6           HN       GLY   6  39.691  11.032   9.387
   62    HA2  GLY   6           HA1      GLY   6  42.219  11.536   8.073
   63    HA3  GLY   6           HA2      GLY   6  42.069   9.834   8.549
   64    H    LYS   7           HN       LYS   7  38.972  10.653   8.176
   65    HA   LYS   7           HA       LYS   7  38.816   9.406   5.531
   66    HB2  LYS   7           HB2      LYS   7  37.168   9.070   7.443
   67    HB3  LYS   7           HB1      LYS   7  36.571  10.713   7.112
   68    HG2  LYS   7           HG2      LYS   7  36.172  10.011   4.716
   69    HG3  LYS   7           HG1      LYS   7  36.593   8.348   5.189
   70    HD2  LYS   7           HD2      LYS   7  34.752   8.277   6.785
   71    HD3  LYS   7           HD1      LYS   7  34.386   9.995   6.497
   72    HE2  LYS   7           HE2      LYS   7  32.815   8.668   5.204
   73    HE3  LYS   7           HE1      LYS   7  33.962   9.421   4.071
   74    HZ1  LYS   7           HZ1      LYS   7  33.399   6.850   4.006
   75    HZ2  LYS   7           HZ2      LYS   7  34.658   6.788   5.146
   76    HZ3  LYS   7           HZ3      LYS   7  34.936   7.443   3.603
   77    H    GLY   8           HN       GLY   8  40.156  11.137   4.488
   78    HA2  GLY   8           HA1      GLY   8  38.655  12.711   2.763
   79    HA3  GLY   8           HA2      GLY   8  38.963  13.770   4.152
   80    H    VAL   9           HN       VAL   9  40.011  13.042   1.149
   81    HA   VAL   9           HA       VAL   9  42.888  12.956   1.591
   82    HB   VAL   9           HB       VAL   9  41.283  13.666  -0.909
   83   HG11  VAL   9          HG11      VAL   9  44.241  13.121  -0.422
   84   HG12  VAL   9          HG12      VAL   9  43.507  14.564  -1.160
   85   HG13  VAL   9          HG13      VAL   9  43.491  13.012  -2.031
   86   HG21  VAL   9          HG21      VAL   9  41.775  11.345  -1.567
   87   HG22  VAL   9          HG22      VAL   9  40.914  11.363  -0.009
   88   HG23  VAL   9          HG23      VAL   9  42.672  11.087  -0.052
   89    H    LYS  10           HN       LYS  10  41.410  15.414  -0.505
   90    HA   LYS  10           HA       LYS  10  41.938  17.639   1.257
   91    HB2  LYS  10           HB2      LYS  10  44.298  16.856   0.677
   92    HB3  LYS  10           HB1      LYS  10  43.949  17.324  -1.001
   93    HG2  LYS  10           HG2      LYS  10  43.418  19.634  -0.226
   94    HG3  LYS  10           HG1      LYS  10  43.833  19.155   1.437
   95    HD2  LYS  10           HD2      LYS  10  46.129  18.671   0.783
   96    HD3  LYS  10           HD1      LYS  10  45.741  18.951  -0.932
   97    HE2  LYS  10           HE2      LYS  10  45.454  21.061   1.250
   98    HE3  LYS  10           HE1      LYS  10  46.872  20.914   0.184
   99    HZ1  LYS  10           HZ1      LYS  10  44.239  21.956  -0.380
  100    HZ2  LYS  10           HZ2      LYS  10  44.803  20.867  -1.557
  101    HZ3  LYS  10           HZ3      LYS  10  45.714  22.246  -1.166
  102    H    ILE  11           HN       ILE  11  41.256  16.240  -1.866
  103    HA   ILE  11           HA       ILE  11  40.040  18.859  -2.767
  104    HB   ILE  11           HB       ILE  11  40.960  16.602  -4.585
  105   HG12  ILE  11          HG12      ILE  11  42.488  19.078  -3.657
  106   HG13  ILE  11          HG11      ILE  11  42.921  17.383  -3.333
  107   HG21  ILE  11          HG21      ILE  11  39.280  18.413  -5.334
  108   HG22  ILE  11          HG22      ILE  11  40.741  18.231  -6.330
  109   HG23  ILE  11          HG23      ILE  11  40.618  19.573  -5.167
  110   HD11  ILE  11           HD1      ILE  11  44.297  17.988  -5.170
  111   HD12  ILE  11           HD2      ILE  11  42.985  18.881  -5.974
  112   HD13  ILE  11           HD3      ILE  11  42.950  17.100  -5.922
  113    H    ILE  12           HN       ILE  12  39.798  15.284  -2.981
  114    HA   ILE  12           HA       ILE  12  36.957  15.525  -3.826
  115    HB   ILE  12           HB       ILE  12  38.732  13.106  -3.331
  116   HG12  ILE  12          HG12      ILE  12  37.855  14.068  -6.087
  117   HG13  ILE  12          HG11      ILE  12  39.248  14.838  -5.297
  118   HG21  ILE  12          HG21      ILE  12  36.571  12.190  -3.216
  119   HG22  ILE  12          HG22      ILE  12  36.831  12.112  -4.967
  120   HG23  ILE  12          HG23      ILE  12  35.867  13.433  -4.276
  121   HD11  ILE  12           HD1      ILE  12  38.945  11.865  -5.921
  122   HD12  ILE  12           HD2      ILE  12  40.299  12.579  -5.017
  123   HD13  ILE  12           HD3      ILE  12  40.037  13.017  -6.721
  124    H    GLY  13           HN       GLY  13  37.961  12.813  -1.837
  125    HA2  GLY  13           HA1      GLY  13  35.813  13.082   0.000
  126    HA3  GLY  13           HA2      GLY  13  37.318  12.182   0.301
  127    H    GLY  14           HN       GLY  14  38.455  14.934  -0.591
  128    HA2  GLY  14           HA1      GLY  14  38.937  15.945   2.136
  129    HA3  GLY  14           HA2      GLY  14  39.670  16.527   0.625
  130    H    ALA  15           HN       ALA  15  37.523  17.126  -0.990
  131    HA   ALA  15           HA       ALA  15  36.419  19.491   0.491
  132    HB1  ALA  15           HB1      ALA  15  37.341  19.601  -1.898
  133    HB2  ALA  15           HB2      ALA  15  35.729  20.304  -1.635
  134    HB3  ALA  15           HB3      ALA  15  35.884  18.703  -2.393
  135    H    ALA  16           HN       ALA  16  35.756  16.722   1.152
  136    HA   ALA  16           HA       ALA  16  33.859  15.632   1.891
  137    HB1  ALA  16           HB1      ALA  16  32.038  17.663   0.582
  138    HB2  ALA  16           HB2      ALA  16  32.961  18.097   2.039
  139    HB3  ALA  16           HB3      ALA  16  31.808  16.743   2.087
  140    H    LEU  17           HN       LEU  17  35.163  14.759  -0.330
  141    HA   LEU  17           HA       LEU  17  34.828  13.351  -2.143
  142    HB2  LEU  17           HB2      LEU  17  31.844  13.458  -1.558
  143    HB3  LEU  17           HB1      LEU  17  32.716  12.224  -2.482
  144    HG   LEU  17           HG       LEU  17  33.500  12.746   0.412
  145   HD11  LEU  17          HD11      LEU  17  31.885  11.000   1.115
  146   HD12  LEU  17          HD12      LEU  17  31.217  10.959  -0.534
  147   HD13  LEU  17          HD13      LEU  17  31.054  12.428   0.457
  148   HD21  LEU  17          HD21      LEU  17  33.421  10.194  -1.259
  149   HD22  LEU  17          HD22      LEU  17  34.214  10.423   0.317
  150   HD23  LEU  17          HD23      LEU  17  34.851  11.241  -1.126
  151    H    ASP  18           HN       ASP  18  33.741  16.455  -1.936
  152    HA   ASP  18           HA       ASP  18  33.124  18.042  -3.504
  153    HB2  ASP  18           HB2      ASP  18  35.257  17.378  -4.512
  154    HB3  ASP  18           HB1      ASP  18  34.454  16.052  -5.385
  155    H    HIS  19           HN       HIS  19  32.832  15.337  -5.793
  156    HA   HIS  19           HA       HIS  19  30.420  16.112  -6.939
  157    HB2  HIS  19           HB2      HIS  19  31.888  14.252  -7.727
  158    HB3  HIS  19           HB1      HIS  19  31.270  13.241  -6.399
  159    HD1  HIS  19           HD1      HIS  19  28.837  15.607  -7.955
  160    HD2  HIS  19           HD2      HIS  19  30.032  11.613  -8.500
  161    HE1  HIS  19           HE1      HIS  19  27.050  14.464  -9.378
  162    H    LEU  20           HN       LEU  20  30.916  14.240  -3.955
  163    HA   LEU  20           HA       LEU  20  29.415  13.575  -2.322
  164    HB2  LEU  20           HB2      LEU  20  29.129  16.196  -2.502
  165    HB3  LEU  20           HB1      LEU  20  27.540  15.799  -3.189
  166    HG   LEU  20           HG       LEU  20  28.612  14.901  -0.472
  167   HD11  LEU  20          HD11      LEU  20  27.944  17.304  -0.642
  168   HD12  LEU  20          HD12      LEU  20  26.867  16.377   0.429
  169   HD13  LEU  20          HD13      LEU  20  26.340  16.796  -1.220
  170   HD21  LEU  20          HD21      LEU  20  27.194  13.136  -1.201
  171   HD22  LEU  20          HD22      LEU  20  26.070  14.250  -2.018
  172   HD23  LEU  20          HD23      LEU  20  26.116  14.171  -0.241
  Start of MODEL   66
    1    H1   TRP   1           HT1      TRP   1  44.071   8.326  11.930
    2    H2   TRP   1           HT2      TRP   1  45.701   8.808  11.909
    3    H3   TRP   1           HT3      TRP   1  45.086   7.929  13.228
    4    HA   TRP   1           HA       TRP   1  45.768   7.036  10.533
    5    HB2  TRP   1           HB2      TRP   1  46.109   5.737  13.261
    6    HB3  TRP   1           HB1      TRP   1  46.888   5.265  11.733
    7    HD1  TRP   1           HD1      TRP   1  46.745   8.285  14.152
    8    HE1  TRP   1           HE1      TRP   1  49.016   9.549  14.065
    9    HE3  TRP   1           HE3      TRP   1  49.041   5.569  10.468
   10    HZ2  TRP   1           HZ2      TRP   1  51.478   9.378  12.582
   11    HZ3  TRP   1           HZ3      TRP   1  51.351   6.137   9.733
   12    HH2  TRP   1           HH2      TRP   1  52.571   8.038  10.786
   13    H    LEU   2           HN       LEU   2  43.476   7.020   9.884
   14    HA   LEU   2           HA       LEU   2  41.655   5.166  11.223
   15    HB2  LEU   2           HB2      LEU   2  41.485   6.352   8.424
   16    HB3  LEU   2           HB1      LEU   2  40.150   5.667   9.379
   17    HG   LEU   2           HG       LEU   2  41.806   8.097  10.206
   18   HD11  LEU   2          HD11      LEU   2  40.459   8.531   8.172
   19   HD12  LEU   2          HD12      LEU   2  39.805   9.408   9.576
   20   HD13  LEU   2          HD13      LEU   2  39.008   7.924   9.004
   21   HD21  LEU   2          HD21      LEU   2  39.387   6.663  11.376
   22   HD22  LEU   2          HD22      LEU   2  39.697   8.381  11.727
   23   HD23  LEU   2          HD23      LEU   2  40.892   7.151  12.190
   24    H    ARG   3           HN       ARG   3  42.633   5.135   7.789
   25    HA   ARG   3           HA       ARG   3  43.455   2.271   8.025
   26    HB2  ARG   3           HB2      ARG   3  41.418   3.256   5.983
   27    HB3  ARG   3           HB1      ARG   3  42.031   1.596   6.173
   28    HG2  ARG   3           HG2      ARG   3  41.104   1.646   8.550
   29    HG3  ARG   3           HG1      ARG   3  40.295   3.172   8.117
   30    HD2  ARG   3           HD2      ARG   3  39.286   1.910   6.119
   31    HD3  ARG   3           HD1      ARG   3  39.873   0.418   6.892
   32    HE   ARG   3           HE       ARG   3  38.412   1.841   8.856
   33   HH11  ARG   3          HH11      ARG   3  37.201   1.918   5.829
   34   HH12  ARG   3          HH12      ARG   3  35.876   0.834   6.090
   35   HH21  ARG   3          HH21      ARG   3  37.012  -0.237   9.186
   36   HH22  ARG   3          HH22      ARG   3  35.769  -0.385   7.990
   37    H    ARG   4           HN       ARG   4  43.520   5.413   6.645
   38    HA   ARG   4           HA       ARG   4  45.961   4.720   5.106
   39    HB2  ARG   4           HB2      ARG   4  43.490   5.976   3.837
   40    HB3  ARG   4           HB1      ARG   4  45.101   5.917   3.082
   41    HG2  ARG   4           HG2      ARG   4  45.020   3.377   3.396
   42    HG3  ARG   4           HG1      ARG   4  43.305   3.573   3.827
   43    HD2  ARG   4           HD2      ARG   4  42.987   4.801   1.626
   44    HD3  ARG   4           HD1      ARG   4  44.645   4.318   1.195
   45    HE   ARG   4           HE       ARG   4  43.159   1.996   2.001
   46   HH11  ARG   4          HH11      ARG   4  41.238   3.525   0.180
   47   HH12  ARG   4          HH12      ARG   4  41.624   2.835  -1.360
   48   HH21  ARG   4          HH21      ARG   4  44.615   1.448  -0.286
   49   HH22  ARG   4          HH22      ARG   4  43.536   1.659  -1.625
   50    H    ILE   5           HN       ILE   5  44.629   6.411   7.421
   51    HA   ILE   5           HA       ILE   5  45.212   8.374   8.482
   52    HB   ILE   5           HB       ILE   5  47.189   8.991   6.243
   53   HG12  ILE   5          HG12      ILE   5  47.516   7.241   8.730
   54   HG13  ILE   5          HG11      ILE   5  47.644   6.705   7.041
   55   HG21  ILE   5          HG21      ILE   5  48.289  10.332   7.903
   56   HG22  ILE   5          HG22      ILE   5  47.298   9.649   9.214
   57   HG23  ILE   5          HG23      ILE   5  46.564  10.739   8.017
   58   HD11  ILE   5           HD1      ILE   5  49.533   8.503   6.836
   59   HD12  ILE   5           HD2      ILE   5  49.899   6.987   7.694
   60   HD13  ILE   5           HD3      ILE   5  49.544   8.467   8.615
   61    H    GLY   6           HN       GLY   6  44.557   8.473   5.011
   62    HA2  GLY   6           HA1      GLY   6  42.649  10.625   5.430
   63    HA3  GLY   6           HA2      GLY   6  44.096  11.165   4.553
   64    H    LYS   7           HN       LYS   7  41.191   9.214   4.476
   65    HA   LYS   7           HA       LYS   7  41.515   7.720   2.138
   66    HB2  LYS   7           HB2      LYS   7  39.067   9.278   3.058
   67    HB3  LYS   7           HB1      LYS   7  39.053   8.003   1.815
   68    HG2  LYS   7           HG2      LYS   7  40.122   6.465   3.575
   69    HG3  LYS   7           HG1      LYS   7  39.739   7.728   4.770
   70    HD2  LYS   7           HD2      LYS   7  37.720   6.351   2.940
   71    HD3  LYS   7           HD1      LYS   7  37.957   5.995   4.666
   72    HE2  LYS   7           HE2      LYS   7  37.511   8.538   5.043
   73    HE3  LYS   7           HE1      LYS   7  36.856   8.519   3.387
   74    HZ1  LYS   7           HZ1      LYS   7  34.989   7.698   4.209
   75    HZ2  LYS   7           HZ2      LYS   7  35.647   7.631   5.775
   76    HZ3  LYS   7           HZ3      LYS   7  35.813   6.307   4.722
   77    H    GLY   8           HN       GLY   8  40.970   8.053  -0.074
   78    HA2  GLY   8           HA1      GLY   8  41.041   9.239  -2.057
   79    HA3  GLY   8           HA2      GLY   8  40.311  10.593  -1.175
   80    H    VAL   9           HN       VAL   9  41.517  12.351  -0.662
   81    HA   VAL   9           HA       VAL   9  44.488  12.154  -0.805
   82    HB   VAL   9           HB       VAL   9  42.925  14.163  -2.492
   83   HG11  VAL   9          HG11      VAL   9  45.250  14.611  -3.396
   84   HG12  VAL   9          HG12      VAL   9  45.892  13.570  -2.103
   85   HG13  VAL   9          HG13      VAL   9  45.033  15.073  -1.693
   86   HG21  VAL   9          HG21      VAL   9  42.746  11.970  -3.525
   87   HG22  VAL   9          HG22      VAL   9  44.470  11.638  -3.233
   88   HG23  VAL   9          HG23      VAL   9  43.990  12.884  -4.409
   89    H    LYS  10           HN       LYS  10  42.150  14.866  -0.981
   90    HA   LYS  10           HA       LYS  10  42.346  15.510   1.827
   91    HB2  LYS  10           HB2      LYS  10  44.691  16.088   0.995
   92    HB3  LYS  10           HB1      LYS  10  43.932  17.354  -0.000
   93    HG2  LYS  10           HG2      LYS  10  42.848  18.228   2.142
   94    HG3  LYS  10           HG1      LYS  10  43.900  17.104   3.036
   95    HD2  LYS  10           HD2      LYS  10  45.879  18.165   1.830
   96    HD3  LYS  10           HD1      LYS  10  44.751  19.403   1.229
   97    HE2  LYS  10           HE2      LYS  10  44.128  19.950   3.580
   98    HE3  LYS  10           HE1      LYS  10  45.315  18.755   4.155
   99    HZ1  LYS  10           HZ1      LYS  10  46.951  20.077   2.707
  100    HZ2  LYS  10           HZ2      LYS  10  46.475  20.746   4.194
  101    HZ3  LYS  10           HZ3      LYS  10  45.790  21.312   2.746
  102    H    ILE  11           HN       ILE  11  42.283  17.248  -1.327
  103    HA   ILE  11           HA       ILE  11  40.073  18.935  -0.396
  104    HB   ILE  11           HB       ILE  11  40.024  19.746  -2.757
  105   HG12  ILE  11          HG12      ILE  11  42.352  17.787  -3.068
  106   HG13  ILE  11          HG11      ILE  11  40.761  17.645  -3.852
  107   HG21  ILE  11          HG21      ILE  11  41.567  20.662  -0.919
  108   HG22  ILE  11          HG22      ILE  11  42.082  20.987  -2.588
  109   HG23  ILE  11          HG23      ILE  11  42.866  19.691  -1.652
  110   HD11  ILE  11           HD1      ILE  11  42.948  19.690  -4.357
  111   HD12  ILE  11           HD2      ILE  11  41.259  20.019  -4.822
  112   HD13  ILE  11           HD3      ILE  11  42.124  18.630  -5.522
  113    H    ILE  12           HN       ILE  12  40.040  15.819  -0.929
  114    HA   ILE  12           HA       ILE  12  37.905  15.530  -2.894
  115    HB   ILE  12           HB       ILE  12  38.888  13.750  -0.653
  116   HG12  ILE  12          HG12      ILE  12  40.548  14.459  -2.539
  117   HG13  ILE  12          HG11      ILE  12  40.415  12.735  -2.159
  118   HG21  ILE  12          HG21      ILE  12  36.718  12.952  -1.301
  119   HG22  ILE  12          HG22      ILE  12  37.882  11.889  -2.119
  120   HG23  ILE  12          HG23      ILE  12  37.067  13.184  -3.029
  121   HD11  ILE  12           HD1      ILE  12  38.809  14.040  -4.398
  122   HD12  ILE  12           HD2      ILE  12  39.070  12.308  -4.107
  123   HD13  ILE  12           HD3      ILE  12  40.418  13.332  -4.647
  124    H    GLY  13           HN       GLY  13  37.683  14.222   0.395
  125    HA2  GLY  13           HA1      GLY  13  34.914  14.953   0.670
  126    HA3  GLY  13           HA2      GLY  13  36.006  14.428   1.973
  127    H    GLY  14           HN       GLY  14  37.689  16.649   0.405
  128    HA2  GLY  14           HA1      GLY  14  37.069  18.777   2.392
  129    HA3  GLY  14           HA2      GLY  14  38.434  18.727   1.260
  130    H    ALA  15           HN       ALA  15  37.013  18.191  -1.147
  131    HA   ALA  15           HA       ALA  15  35.796  20.905  -1.553
  132    HB1  ALA  15           HB1      ALA  15  37.489  20.066  -3.178
  133    HB2  ALA  15           HB2      ALA  15  35.905  20.364  -3.931
  134    HB3  ALA  15           HB3      ALA  15  36.412  18.700  -3.560
  135    H    ALA  16           HN       ALA  16  34.631  18.698   0.029
  136    HA   ALA  16           HA       ALA  16  32.450  18.043   0.445
  137    HB1  ALA  16           HB1      ALA  16  30.633  18.891  -0.751
  138    HB2  ALA  16           HB2      ALA  16  31.500  18.867  -2.305
  139    HB3  ALA  16           HB3      ALA  16  31.881  20.111  -1.092
  140    H    LEU  17           HN       LEU  17  34.556  16.397  -0.625
  141    HA   LEU  17           HA       LEU  17  34.769  14.268  -1.552
  142    HB2  LEU  17           HB2      LEU  17  32.628  14.067  -0.022
  143    HB3  LEU  17           HB1      LEU  17  31.753  13.983  -1.565
  144    HG   LEU  17           HG       LEU  17  33.615  12.135  -2.152
  145   HD11  LEU  17          HD11      LEU  17  34.401  10.881  -0.243
  146   HD12  LEU  17          HD12      LEU  17  33.415  11.849   0.878
  147   HD13  LEU  17          HD13      LEU  17  34.814  12.583   0.066
  148   HD21  LEU  17          HD21      LEU  17  32.093  10.388  -1.124
  149   HD22  LEU  17          HD22      LEU  17  31.243  11.615  -2.093
  150   HD23  LEU  17          HD23      LEU  17  31.215  11.708  -0.315
  151    H    ASP  18           HN       ASP  18  33.999  16.754  -3.230
  152    HA   ASP  18           HA       ASP  18  33.686  17.202  -5.483
  153    HB2  ASP  18           HB2      ASP  18  35.592  15.526  -5.586
  154    HB3  ASP  18           HB1      ASP  18  34.374  14.275  -5.934
  155    H    HIS  19           HN       HIS  19  31.625  15.433  -3.739
  156    HA   HIS  19           HA       HIS  19  29.494  15.670  -5.681
  157    HB2  HIS  19           HB2      HIS  19  30.559  13.649  -6.619
  158    HB3  HIS  19           HB1      HIS  19  30.446  12.850  -5.033
  159    HD1  HIS  19           HD1      HIS  19  28.264  11.730  -4.426
  160    HD2  HIS  19           HD2      HIS  19  27.911  14.255  -7.772
  161    HE1  HIS  19           HE1      HIS  19  25.931  11.373  -5.404
  162    H    LEU  20           HN       LEU  20  30.421  13.485  -2.975
  163    HA   LEU  20           HA       LEU  20  29.322  13.035  -0.987
  164    HB2  LEU  20           HB2      LEU  20  30.026  15.259  -0.380
  165    HB3  LEU  20           HB1      LEU  20  28.714  15.998  -1.322
  166    HG   LEU  20           HG       LEU  20  27.035  15.173   0.220
  167   HD11  LEU  20          HD11      LEU  20  27.775  12.976   0.787
  168   HD12  LEU  20          HD12      LEU  20  27.870  13.884   2.313
  169   HD13  LEU  20          HD13      LEU  20  29.349  13.564   1.372
  170   HD21  LEU  20          HD21      LEU  20  29.426  16.172   1.833
  171   HD22  LEU  20          HD22      LEU  20  27.707  16.320   2.273
  172   HD23  LEU  20          HD23      LEU  20  28.346  17.213   0.873
  Start of MODEL   67
    1    H1   TRP   1           HT1      TRP   1  41.812  25.229   9.935
    2    H2   TRP   1           HT2      TRP   1  42.118  24.081   8.721
    3    H3   TRP   1           HT3      TRP   1  43.397  24.699   9.652
    4    HA   TRP   1           HA       TRP   1  42.714  22.443  10.271
    5    HB2  TRP   1           HB2      TRP   1  42.246  24.553  12.412
    6    HB3  TRP   1           HB1      TRP   1  42.800  22.879  12.655
    7    HD1  TRP   1           HD1      TRP   1  45.316  22.428  12.473
    8    HE1  TRP   1           HE1      TRP   1  47.423  23.826  11.869
    9    HE3  TRP   1           HE3      TRP   1  43.010  26.673  10.779
   10    HZ2  TRP   1           HZ2      TRP   1  47.996  26.437  10.796
   11    HZ3  TRP   1           HZ3      TRP   1  44.356  28.605   9.971
   12    HH2  TRP   1           HH2      TRP   1  46.845  28.491   9.977
   13    H    LEU   2           HN       LEU   2  40.966  21.243   9.883
   14    HA   LEU   2           HA       LEU   2  38.275  22.273  10.087
   15    HB2  LEU   2           HB2      LEU   2  39.482  19.506   9.768
   16    HB3  LEU   2           HB1      LEU   2  37.727  19.721   9.965
   17    HG   LEU   2           HG       LEU   2  37.622  21.144   7.987
   18   HD11  LEU   2          HD11      LEU   2  39.669  22.378   8.056
   19   HD12  LEU   2          HD12      LEU   2  39.787  21.374   6.593
   20   HD13  LEU   2          HD13      LEU   2  40.656  20.897   8.072
   21   HD21  LEU   2          HD21      LEU   2  37.555  18.688   7.650
   22   HD22  LEU   2          HD22      LEU   2  39.327  18.662   7.479
   23   HD23  LEU   2          HD23      LEU   2  38.327  19.501   6.268
   24    H    ARG   3           HN       ARG   3  39.236  19.306  11.758
   25    HA   ARG   3           HA       ARG   3  38.370  20.502  14.382
   26    HB2  ARG   3           HB2      ARG   3  37.501  17.808  13.246
   27    HB3  ARG   3           HB1      ARG   3  37.128  18.426  14.875
   28    HG2  ARG   3           HG2      ARG   3  35.940  20.358  13.864
   29    HG3  ARG   3           HG1      ARG   3  36.295  19.721  12.241
   30    HD2  ARG   3           HD2      ARG   3  34.013  19.081  12.954
   31    HD3  ARG   3           HD1      ARG   3  35.050  17.645  12.784
   32    HE   ARG   3           HE       ARG   3  35.167  18.580  15.495
   33   HH11  ARG   3          HH11      ARG   3  32.971  18.483  16.609
   34   HH12  ARG   3          HH12      ARG   3  32.101  17.017  16.306
   35   HH21  ARG   3          HH21      ARG   3  34.092  16.076  13.627
   36   HH22  ARG   3          HH22      ARG   3  32.736  15.653  14.619
   37    H    ARG   4           HN       ARG   4  40.475  18.617  12.465
   38    HA   ARG   4           HA       ARG   4  42.345  18.287  14.637
   39    HB2  ARG   4           HB2      ARG   4  40.534  16.427  14.999
   40    HB3  ARG   4           HB1      ARG   4  41.276  15.641  13.589
   41    HG2  ARG   4           HG2      ARG   4  43.457  15.594  14.717
   42    HG3  ARG   4           HG1      ARG   4  42.793  16.497  16.098
   43    HD2  ARG   4           HD2      ARG   4  41.862  13.746  15.167
   44    HD3  ARG   4           HD1      ARG   4  42.891  14.069  16.584
   45    HE   ARG   4           HE       ARG   4  40.421  15.582  16.713
   46   HH11  ARG   4          HH11      ARG   4  39.931  12.541  16.105
   47   HH12  ARG   4          HH12      ARG   4  39.613  11.977  17.711
   48   HH21  ARG   4          HH21      ARG   4  40.834  14.837  19.244
   49   HH22  ARG   4          HH22      ARG   4  40.123  13.276  19.487
   50    H    ILE   5           HN       ILE   5  41.680  18.963  11.653
   51    HA   ILE   5           HA       ILE   5  42.637  18.606   9.545
   52    HB   ILE   5           HB       ILE   5  44.038  20.350  10.312
   53   HG12  ILE   5          HG12      ILE   5  46.161  18.273   9.631
   54   HG13  ILE   5          HG11      ILE   5  44.966  18.763   8.413
   55   HG21  ILE   5          HG21      ILE   5  45.997  19.947  11.834
   56   HG22  ILE   5          HG22      ILE   5  45.463  18.265  12.020
   57   HG23  ILE   5          HG23      ILE   5  44.431  19.596  12.587
   58   HD11  ILE   5           HD1      ILE   5  45.656  21.190   8.880
   59   HD12  ILE   5           HD2      ILE   5  46.879  20.174   8.087
   60   HD13  ILE   5           HD3      ILE   5  47.013  20.528   9.823
   61    H    GLY   6           HN       GLY   6  42.272  16.583   8.806
   62    HA2  GLY   6           HA1      GLY   6  44.411  14.899   8.219
   63    HA3  GLY   6           HA2      GLY   6  43.765  14.286   9.755
   64    H    LYS   7           HN       LYS   7  41.018  15.219   9.054
   65    HA   LYS   7           HA       LYS   7  40.176  12.769   7.738
   66    HB2  LYS   7           HB2      LYS   7  38.589  15.288   8.377
   67    HB3  LYS   7           HB1      LYS   7  37.915  13.689   7.978
   68    HG2  LYS   7           HG2      LYS   7  39.172  12.754   9.969
   69    HG3  LYS   7           HG1      LYS   7  39.596  14.425  10.410
   70    HD2  LYS   7           HD2      LYS   7  37.203  15.014  10.551
   71    HD3  LYS   7           HD1      LYS   7  36.759  13.357  10.073
   72    HE2  LYS   7           HE2      LYS   7  36.639  13.664  12.540
   73    HE3  LYS   7           HE1      LYS   7  37.868  12.458  12.084
   74    HZ1  LYS   7           HZ1      LYS   7  38.388  14.426  13.746
   75    HZ2  LYS   7           HZ2      LYS   7  38.716  15.256  12.300
   76    HZ3  LYS   7           HZ3      LYS   7  39.561  13.829  12.676
   77    H    GLY   8           HN       GLY   8  38.811  12.677   5.811
   78    HA2  GLY   8           HA1      GLY   8  38.433  13.117   3.573
   79    HA3  GLY   8           HA2      GLY   8  38.649  14.838   3.950
   80    H    VAL   9           HN       VAL   9  39.477  13.375   1.565
   81    HA   VAL   9           HA       VAL   9  42.292  12.827   1.648
   82    HB   VAL   9           HB       VAL   9  40.571  13.753  -0.697
   83   HG11  VAL   9          HG11      VAL   9  43.358  12.538  -0.505
   84   HG12  VAL   9          HG12      VAL   9  42.892  14.078  -1.264
   85   HG13  VAL   9          HG13      VAL   9  42.402  12.536  -2.005
   86   HG21  VAL   9          HG21      VAL   9  40.356  11.380  -1.201
   87   HG22  VAL   9          HG22      VAL   9  39.842  11.641   0.484
   88   HG23  VAL   9          HG23      VAL   9  41.447  10.955   0.139
   89    H    LYS  10           HN       LYS  10  41.022  15.467  -0.377
   90    HA   LYS  10           HA       LYS  10  42.315  17.590   1.089
   91    HB2  LYS  10           HB2      LYS  10  44.342  16.359   0.233
   92    HB3  LYS  10           HB1      LYS  10  43.779  16.689  -1.423
   93    HG2  LYS  10           HG2      LYS  10  43.855  19.107  -1.001
   94    HG3  LYS  10           HG1      LYS  10  44.328  18.818   0.692
   95    HD2  LYS  10           HD2      LYS  10  46.405  17.720  -0.054
   96    HD3  LYS  10           HD1      LYS  10  45.930  17.947  -1.755
   97    HE2  LYS  10           HE2      LYS  10  45.912  20.409  -1.414
   98    HE3  LYS  10           HE1      LYS  10  46.417  20.172   0.276
   99    HZ1  LYS  10           HZ1      LYS  10  48.015  18.898  -1.826
  100    HZ2  LYS  10           HZ2      LYS  10  48.503  19.556  -0.337
  101    HZ3  LYS  10           HZ3      LYS  10  48.152  20.580  -1.647
  102    H    ILE  11           HN       ILE  11  40.879  16.232  -1.790
  103    HA   ILE  11           HA       ILE  11  39.713  18.923  -2.436
  104    HB   ILE  11           HB       ILE  11  40.753  17.027  -4.582
  105   HG12  ILE  11          HG12      ILE  11  42.067  19.495  -3.353
  106   HG13  ILE  11          HG11      ILE  11  42.680  17.827  -3.295
  107   HG21  ILE  11          HG21      ILE  11  38.878  18.735  -5.043
  108   HG22  ILE  11          HG22      ILE  11  40.316  18.852  -6.082
  109   HG23  ILE  11          HG23      ILE  11  40.092  19.999  -4.739
  110   HD11  ILE  11           HD1      ILE  11  42.626  17.930  -5.901
  111   HD12  ILE  11           HD2      ILE  11  43.912  18.828  -5.060
  112   HD13  ILE  11           HD3      ILE  11  42.488  19.691  -5.684
  113    H    ILE  12           HN       ILE  12  39.732  15.397  -3.017
  114    HA   ILE  12           HA       ILE  12  36.911  15.448  -3.892
  115    HB   ILE  12           HB       ILE  12  38.819  13.164  -3.269
  116   HG12  ILE  12          HG12      ILE  12  37.965  13.955  -6.082
  117   HG13  ILE  12          HG11      ILE  12  39.255  14.877  -5.280
  118   HG21  ILE  12          HG21      ILE  12  36.686  12.157  -3.159
  119   HG22  ILE  12          HG22      ILE  12  37.065  11.956  -4.880
  120   HG23  ILE  12          HG23      ILE  12  35.982  13.265  -4.359
  121   HD11  ILE  12           HD1      ILE  12  40.663  12.970  -5.088
  122   HD12  ILE  12           HD2      ILE  12  39.980  12.865  -6.727
  123   HD13  ILE  12           HD3      ILE  12  39.333  11.840  -5.428
  124    H    GLY  13           HN       GLY  13  38.128  12.925  -1.740
  125    HA2  GLY  13           HA1      GLY  13  35.880  13.079   0.018
  126    HA3  GLY  13           HA2      GLY  13  37.434  12.295   0.382
  127    H    GLY  14           HN       GLY  14  38.332  15.116  -0.645
  128    HA2  GLY  14           HA1      GLY  14  38.757  16.259   2.044
  129    HA3  GLY  14           HA2      GLY  14  39.429  16.845   0.506
  130    H    ALA  15           HN       ALA  15  37.180  17.179  -1.088
  131    HA   ALA  15           HA       ALA  15  35.916  19.511   0.324
  132    HB1  ALA  15           HB1      ALA  15  35.477  18.575  -2.536
  133    HB2  ALA  15           HB2      ALA  15  36.796  19.675  -2.055
  134    HB3  ALA  15           HB3      ALA  15  35.101  20.164  -1.832
  135    H    ALA  16           HN       ALA  16  35.491  16.723   1.075
  136    HA   ALA  16           HA       ALA  16  33.696  15.511   1.874
  137    HB1  ALA  16           HB1      ALA  16  32.588  17.894   1.921
  138    HB2  ALA  16           HB2      ALA  16  31.557  16.448   2.034
  139    HB3  ALA  16           HB3      ALA  16  31.702  17.319   0.490
  140    H    LEU  17           HN       LEU  17  35.069  14.675  -0.340
  141    HA   LEU  17           HA       LEU  17  34.840  13.182  -2.108
  142    HB2  LEU  17           HB2      LEU  17  31.879  12.988  -1.438
  143    HB3  LEU  17           HB1      LEU  17  32.866  11.811  -2.322
  144    HG   LEU  17           HG       LEU  17  33.631  12.560   0.526
  145   HD11  LEU  17          HD11      LEU  17  31.256  11.986   0.681
  146   HD12  LEU  17          HD12      LEU  17  32.238  10.647   1.322
  147   HD13  LEU  17          HD13      LEU  17  31.519  10.526  -0.301
  148   HD21  LEU  17          HD21      LEU  17  35.087  11.120  -1.026
  149   HD22  LEU  17          HD22      LEU  17  33.796   9.901  -0.959
  150   HD23  LEU  17          HD23      LEU  17  34.651  10.374   0.528
  151    H    ASP  18           HN       ASP  18  34.052  16.165  -2.207
  152    HA   ASP  18           HA       ASP  18  33.407  17.651  -3.858
  153    HB2  ASP  18           HB2      ASP  18  34.977  16.169  -5.194
  154    HB3  ASP  18           HB1      ASP  18  33.542  15.293  -5.775
  155    H    HIS  19           HN       HIS  19  31.900  14.722  -5.279
  156    HA   HIS  19           HA       HIS  19  29.216  15.604  -4.410
  157    HB2  HIS  19           HB2      HIS  19  28.349  15.738  -6.735
  158    HB3  HIS  19           HB1      HIS  19  29.553  17.005  -6.397
  159    HD1  HIS  19           HD1      HIS  19  31.936  14.685  -6.573
  160    HD2  HIS  19           HD2      HIS  19  29.140  15.786  -9.516
  161    HE1  HIS  19           HE1      HIS  19  32.925  14.042  -8.841
  162    H    LEU  20           HN       LEU  20  30.413  13.360  -3.594
  163    HA   LEU  20           HA       LEU  20  30.271  11.047  -3.593
  164    HB2  LEU  20           HB2      LEU  20  27.935  11.472  -3.170
  165    HB3  LEU  20           HB1      LEU  20  27.623  11.811  -4.886
  166    HG   LEU  20           HG       LEU  20  27.981   9.491  -5.491
  167   HD11  LEU  20          HD11      LEU  20  28.461   7.817  -3.565
  168   HD12  LEU  20          HD12      LEU  20  28.991   9.237  -2.630
  169   HD13  LEU  20          HD13      LEU  20  29.824   8.802  -4.142
  170   HD21  LEU  20          HD21      LEU  20  26.383   9.558  -2.894
  171   HD22  LEU  20          HD22      LEU  20  26.180   8.417  -4.245
  172   HD23  LEU  20          HD23      LEU  20  25.776  10.138  -4.463
  Start of MODEL   68
    1    H1   TRP   1           HT1      TRP   1  36.622  16.131  16.243
    2    H2   TRP   1           HT2      TRP   1  38.036  15.819  15.355
    3    H3   TRP   1           HT3      TRP   1  38.048  15.701  17.050
    4    HA   TRP   1           HA       TRP   1  36.586  13.848  17.006
    5    HB2  TRP   1           HB2      TRP   1  36.625  14.376  14.009
    6    HB3  TRP   1           HB1      TRP   1  36.046  12.854  14.728
    7    HD1  TRP   1           HD1      TRP   1  33.877  13.003  16.318
    8    HE1  TRP   1           HE1      TRP   1  31.886  14.676  16.383
    9    HE3  TRP   1           HE3      TRP   1  35.953  16.828  13.623
   10    HZ2  TRP   1           HZ2      TRP   1  31.307  17.314  15.385
   11    HZ3  TRP   1           HZ3      TRP   1  34.662  18.914  13.190
   12    HH2  TRP   1           HH2      TRP   1  32.343  19.160  14.068
   13    H    LEU   2           HN       LEU   2  37.171  11.632  15.701
   14    HA   LEU   2           HA       LEU   2  39.954  11.190  16.370
   15    HB2  LEU   2           HB2      LEU   2  37.913   9.548  16.405
   16    HB3  LEU   2           HB1      LEU   2  38.254   9.332  14.677
   17    HG   LEU   2           HG       LEU   2  40.755   8.915  15.517
   18   HD11  LEU   2          HD11      LEU   2  40.762   7.736  17.734
   19   HD12  LEU   2          HD12      LEU   2  39.090   8.280  17.997
   20   HD13  LEU   2          HD13      LEU   2  40.406   9.471  17.880
   21   HD21  LEU   2          HD21      LEU   2  40.246   6.491  15.745
   22   HD22  LEU   2          HD22      LEU   2  39.354   7.224  14.389
   23   HD23  LEU   2          HD23      LEU   2  38.518   6.878  15.922
   24    H    ARG   3           HN       ARG   3  38.519  12.672  13.769
   25    HA   ARG   3           HA       ARG   3  39.306  13.323  11.692
   26    HB2  ARG   3           HB2      ARG   3  42.004  12.127  12.421
   27    HB3  ARG   3           HB1      ARG   3  41.658  13.447  11.287
   28    HG2  ARG   3           HG2      ARG   3  41.143  13.593  14.294
   29    HG3  ARG   3           HG1      ARG   3  42.595  14.224  13.495
   30    HD2  ARG   3           HD2      ARG   3  39.719  15.144  13.085
   31    HD3  ARG   3           HD1      ARG   3  41.066  16.070  13.782
   32    HE   ARG   3           HE       ARG   3  41.763  15.248  11.121
   33   HH11  ARG   3          HH11      ARG   3  39.039  16.173  10.506
   34   HH12  ARG   3          HH12      ARG   3  39.239  17.881  10.305
   35   HH21  ARG   3          HH21      ARG   3  42.321  17.973  11.894
   36   HH22  ARG   3          HH22      ARG   3  41.097  18.900  11.092
   37    H    ARG   4           HN       ARG   4  41.365  10.430  12.177
   38    HA   ARG   4           HA       ARG   4  41.149   9.349   9.640
   39    HB2  ARG   4           HB2      ARG   4  42.515   8.468  11.570
   40    HB3  ARG   4           HB1      ARG   4  41.034   7.701  12.193
   41    HG2  ARG   4           HG2      ARG   4  40.791   6.433  10.083
   42    HG3  ARG   4           HG1      ARG   4  42.261   7.210   9.443
   43    HD2  ARG   4           HD2      ARG   4  43.633   6.188  11.159
   44    HD3  ARG   4           HD1      ARG   4  42.197   5.576  12.014
   45    HE   ARG   4           HE       ARG   4  42.326   4.592   9.281
   46   HH11  ARG   4          HH11      ARG   4  42.600   2.348   9.124
   47   HH12  ARG   4          HH12      ARG   4  43.384   1.496  10.412
   48   HH21  ARG   4          HH21      ARG   4  43.747   4.311  12.406
   49   HH22  ARG   4          HH22      ARG   4  44.033   2.607  12.271
   50    H    ILE   5           HN       ILE   5  38.657   9.497  12.098
   51    HA   ILE   5           HA       ILE   5  36.977   7.445  10.817
   52    HB   ILE   5           HB       ILE   5  36.893   7.917  13.284
   53   HG12  ILE   5          HG12      ILE   5  34.280   8.476  11.801
   54   HG13  ILE   5          HG11      ILE   5  34.998   6.862  12.009
   55   HG21  ILE   5          HG21      ILE   5  35.382  10.447  12.517
   56   HG22  ILE   5          HG22      ILE   5  37.116  10.458  12.918
   57   HG23  ILE   5          HG23      ILE   5  35.925   9.936  14.132
   58   HD11  ILE   5           HD1      ILE   5  34.974   7.361  14.548
   59   HD12  ILE   5           HD2      ILE   5  33.405   7.054  13.770
   60   HD13  ILE   5           HD3      ILE   5  33.897   8.721  14.147
   61    H    GLY   6           HN       GLY   6  37.220  10.992  10.912
   62    HA2  GLY   6           HA1      GLY   6  34.753  11.471   9.500
   63    HA3  GLY   6           HA2      GLY   6  36.097  12.614   9.699
   64    H    LYS   7           HN       LYS   7  38.027  10.687   8.511
   65    HA   LYS   7           HA       LYS   7  38.954  10.334   6.423
   66    HB2  LYS   7           HB2      LYS   7  36.036   9.842   5.710
   67    HB3  LYS   7           HB1      LYS   7  37.415   9.465   4.650
   68    HG2  LYS   7           HG2      LYS   7  38.291   7.851   6.190
   69    HG3  LYS   7           HG1      LYS   7  37.219   8.405   7.497
   70    HD2  LYS   7           HD2      LYS   7  36.431   6.269   6.463
   71    HD3  LYS   7           HD1      LYS   7  35.251   7.589   6.283
   72    HE2  LYS   7           HE2      LYS   7  35.755   6.135   4.191
   73    HE3  LYS   7           HE1      LYS   7  35.773   7.902   3.988
   74    HZ1  LYS   7           HZ1      LYS   7  37.707   6.890   2.965
   75    HZ2  LYS   7           HZ2      LYS   7  38.151   6.162   4.433
   76    HZ3  LYS   7           HZ3      LYS   7  38.187   7.853   4.275
   77    H    GLY   8           HN       GLY   8  39.894  11.922   5.353
   78    HA2  GLY   8           HA1      GLY   8  38.326  13.618   3.556
   79    HA3  GLY   8           HA2      GLY   8  39.001  14.493   4.946
   80    H    VAL   9           HN       VAL   9  39.507  13.730   1.784
   81    HA   VAL   9           HA       VAL   9  42.374  13.178   1.872
   82    HB   VAL   9           HB       VAL   9  40.630  14.133  -0.446
   83   HG11  VAL   9          HG11      VAL   9  43.452  12.997  -0.259
   84   HG12  VAL   9          HG12      VAL   9  42.950  14.547  -0.972
   85   HG13  VAL   9          HG13      VAL   9  42.519  13.021  -1.773
   86   HG21  VAL   9          HG21      VAL   9  39.985  11.942   0.676
   87   HG22  VAL   9          HG22      VAL   9  41.596  11.325   0.237
   88   HG23  VAL   9          HG23      VAL   9  40.445  11.797  -1.037
   89    H    LYS  10           HN       LYS  10  41.217  15.770  -0.217
   90    HA   LYS  10           HA       LYS  10  42.136  17.957   1.423
   91    HB2  LYS  10           HB2      LYS  10  44.322  16.753   0.839
   92    HB3  LYS  10           HB1      LYS  10  44.025  17.230  -0.848
   93    HG2  LYS  10           HG2      LYS  10  43.829  19.628  -0.044
   94    HG3  LYS  10           HG1      LYS  10  44.367  19.072   1.558
   95    HD2  LYS  10           HD2      LYS  10  45.927  18.661  -1.034
   96    HD3  LYS  10           HD1      LYS  10  46.240  19.965   0.133
   97    HE2  LYS  10           HE2      LYS  10  46.454  18.036   1.897
   98    HE3  LYS  10           HE1      LYS  10  46.638  16.977   0.477
   99    HZ1  LYS  10           HZ1      LYS  10  48.413  19.072   1.491
  100    HZ2  LYS  10           HZ2      LYS  10  48.325  18.874  -0.194
  101    HZ3  LYS  10           HZ3      LYS  10  48.789  17.572   0.794
  102    H    ILE  11           HN       ILE  11  41.189  16.521  -1.607
  103    HA   ILE  11           HA       ILE  11  40.062  19.169  -2.475
  104    HB   ILE  11           HB       ILE  11  41.372  17.220  -4.412
  105   HG12  ILE  11          HG12      ILE  11  42.529  19.726  -3.104
  106   HG13  ILE  11          HG11      ILE  11  43.121  18.060  -2.909
  107   HG21  ILE  11          HG21      ILE  11  41.128  18.997  -6.006
  108   HG22  ILE  11          HG22      ILE  11  40.748  20.186  -4.736
  109   HG23  ILE  11          HG23      ILE  11  39.573  18.914  -5.148
  110   HD11  ILE  11           HD1      ILE  11  44.572  18.998  -4.537
  111   HD12  ILE  11           HD2      ILE  11  43.242  19.836  -5.369
  112   HD13  ILE  11           HD3      ILE  11  43.402  18.067  -5.500
  113    H    ILE  12           HN       ILE  12  40.187  15.625  -2.926
  114    HA   ILE  12           HA       ILE  12  37.474  15.634  -4.127
  115    HB   ILE  12           HB       ILE  12  39.332  13.351  -3.357
  116   HG12  ILE  12          HG12      ILE  12  38.833  14.609  -6.097
  117   HG13  ILE  12          HG11      ILE  12  40.248  14.956  -5.077
  118   HG21  ILE  12          HG21      ILE  12  36.823  13.463  -5.101
  119   HG22  ILE  12          HG22      ILE  12  37.007  12.593  -3.562
  120   HG23  ILE  12          HG23      ILE  12  37.900  12.053  -4.996
  121   HD11  ILE  12           HD1      ILE  12  39.558  12.431  -6.594
  122   HD12  ILE  12           HD2      ILE  12  40.503  12.284  -5.093
  123   HD13  ILE  12           HD3      ILE  12  41.118  13.266  -6.441
  124    H    GLY  13           HN       GLY  13  38.514  13.090  -1.903
  125    HA2  GLY  13           HA1      GLY  13  36.090  13.191  -0.382
  126    HA3  GLY  13           HA2      GLY  13  37.608  12.407   0.121
  127    H    GLY  14           HN       GLY  14  38.599  15.246  -0.748
  128    HA2  GLY  14           HA1      GLY  14  38.742  16.339   1.985
  129    HA3  GLY  14           HA2      GLY  14  39.559  16.960   0.532
  130    H    ALA  15           HN       ALA  15  37.479  17.306  -1.275
  131    HA   ALA  15           HA       ALA  15  36.109  19.637   0.009
  132    HB1  ALA  15           HB1      ALA  15  35.859  18.583  -2.834
  133    HB2  ALA  15           HB2      ALA  15  37.075  19.777  -2.308
  134    HB3  ALA  15           HB3      ALA  15  35.344  20.170  -2.221
  135    H    ALA  16           HN       ALA  16  35.616  16.889   0.858
  136    HA   ALA  16           HA       ALA  16  33.770  15.738   1.621
  137    HB1  ALA  16           HB1      ALA  16  32.675  18.124   1.460
  138    HB2  ALA  16           HB2      ALA  16  31.634  16.689   1.608
  139    HB3  ALA  16           HB3      ALA  16  31.866  17.460   0.022
  140    H    LEU  17           HN       LEU  17  35.302  14.998  -0.682
  141    HA   LEU  17           HA       LEU  17  35.134  13.542  -2.494
  142    HB2  LEU  17           HB2      LEU  17  33.605  12.485  -0.489
  143    HB3  LEU  17           HB1      LEU  17  32.367  12.626  -1.751
  144    HG   LEU  17           HG       LEU  17  35.061  11.216  -2.070
  145   HD11  LEU  17          HD11      LEU  17  33.662   9.152  -2.108
  146   HD12  LEU  17          HD12      LEU  17  32.227  10.137  -1.734
  147   HD13  LEU  17          HD13      LEU  17  33.548  10.005  -0.550
  148   HD21  LEU  17          HD21      LEU  17  34.230  12.141  -4.191
  149   HD22  LEU  17          HD22      LEU  17  32.621  11.438  -3.892
  150   HD23  LEU  17          HD23      LEU  17  34.017  10.375  -4.186
  151    H    ASP  18           HN       ASP  18  34.210  16.267  -2.809
  152    HA   ASP  18           HA       ASP  18  33.117  17.566  -4.382
  153    HB2  ASP  18           HB2      ASP  18  34.312  15.973  -5.918
  154    HB3  ASP  18           HB1      ASP  18  32.837  14.981  -5.962
  155    H    HIS  19           HN       HIS  19  31.344  14.530  -5.055
  156    HA   HIS  19           HA       HIS  19  28.964  15.498  -3.597
  157    HB2  HIS  19           HB2      HIS  19  27.522  15.393  -5.641
  158    HB3  HIS  19           HB1      HIS  19  28.698  16.729  -5.683
  159    HD1  HIS  19           HD1      HIS  19  30.805  13.973  -6.201
  160    HD2  HIS  19           HD2      HIS  19  27.883  15.777  -8.628
  161    HE1  HIS  19           HE1      HIS  19  31.335  13.351  -8.621
  162    H    LEU  20           HN       LEU  20  30.116  13.390  -2.737
  163    HA   LEU  20           HA       LEU  20  29.918  11.110  -2.386
  164    HB2  LEU  20           HB2      LEU  20  27.472  11.842  -2.278
  165    HB3  LEU  20           HB1      LEU  20  27.329  11.304  -3.965
  166    HG   LEU  20           HG       LEU  20  28.375   9.036  -3.054
  167   HD11  LEU  20          HD11      LEU  20  27.239  10.308  -0.520
  168   HD12  LEU  20          HD12      LEU  20  28.911   9.760  -0.784
  169   HD13  LEU  20          HD13      LEU  20  27.590   8.575  -0.702
  170   HD21  LEU  20          HD21      LEU  20  26.081   8.220  -2.500
  171   HD22  LEU  20          HD22      LEU  20  26.102   9.228  -3.968
  172   HD23  LEU  20          HD23      LEU  20  25.517   9.907  -2.429
  Start of MODEL   69
    1    H1   TRP   1           HT1      TRP   1  37.546   7.890  12.448
    2    H2   TRP   1           HT2      TRP   1  36.408   9.137  12.646
    3    H3   TRP   1           HT3      TRP   1  37.006   8.302  14.000
    4    HA   TRP   1           HA       TRP   1  38.768   9.563  14.171
    5    HB2  TRP   1           HB2      TRP   1  38.963   9.386  11.137
    6    HB3  TRP   1           HB1      TRP   1  40.191  10.108  12.205
    7    HD1  TRP   1           HD1      TRP   1  40.978   8.309  14.282
    8    HE1  TRP   1           HE1      TRP   1  41.651   5.810  14.030
    9    HE3  TRP   1           HE3      TRP   1  38.731   7.317   9.789
   10    HZ2  TRP   1           HZ2      TRP   1  41.251   3.693  12.119
   11    HZ3  TRP   1           HZ3      TRP   1  38.890   5.051   8.771
   12    HH2  TRP   1           HH2      TRP   1  40.148   3.239   9.930
   13    H    LEU   2           HN       LEU   2  39.688  11.795  13.153
   14    HA   LEU   2           HA       LEU   2  37.505  13.665  13.511
   15    HB2  LEU   2           HB2      LEU   2  40.256  14.264  12.371
   16    HB3  LEU   2           HB1      LEU   2  39.175  15.364  13.262
   17    HG   LEU   2           HG       LEU   2  40.546  12.876  14.382
   18   HD11  LEU   2          HD11      LEU   2  42.070  14.782  14.059
   19   HD12  LEU   2          HD12      LEU   2  41.746  14.552  15.793
   20   HD13  LEU   2          HD13      LEU   2  40.933  15.860  14.900
   21   HD21  LEU   2          HD21      LEU   2  38.493  14.811  15.532
   22   HD22  LEU   2          HD22      LEU   2  39.610  13.916  16.590
   23   HD23  LEU   2          HD23      LEU   2  38.475  13.031  15.547
   24    H    ARG   3           HN       ARG   3  38.398  11.790  10.911
   25    HA   ARG   3           HA       ARG   3  37.553  11.747   8.752
   26    HB2  ARG   3           HB2      ARG   3  35.614  13.161   9.855
   27    HB3  ARG   3           HB1      ARG   3  36.367  14.529   9.005
   28    HG2  ARG   3           HG2      ARG   3  36.231  13.214   6.866
   29    HG3  ARG   3           HG1      ARG   3  35.348  11.944   7.747
   30    HD2  ARG   3           HD2      ARG   3  33.786  13.489   6.591
   31    HD3  ARG   3           HD1      ARG   3  33.591  13.575   8.358
   32    HE   ARG   3           HE       ARG   3  35.453  15.574   7.706
   33   HH11  ARG   3          HH11      ARG   3  33.211  15.207   5.412
   34   HH12  ARG   3          HH12      ARG   3  32.261  16.608   5.778
   35   HH21  ARG   3          HH21      ARG   3  33.805  17.182   8.830
   36   HH22  ARG   3          HH22      ARG   3  32.598  17.727   7.712
   37    H    ARG   4           HN       ARG   4  38.718  14.982   9.774
   38    HA   ARG   4           HA       ARG   4  39.818  15.610   7.167
   39    HB2  ARG   4           HB2      ARG   4  40.356  16.727   9.947
   40    HB3  ARG   4           HB1      ARG   4  41.049  17.401   8.452
   41    HG2  ARG   4           HG2      ARG   4  38.797  17.806   7.554
   42    HG3  ARG   4           HG1      ARG   4  38.066  17.061   8.996
   43    HD2  ARG   4           HD2      ARG   4  38.103  19.570   9.101
   44    HD3  ARG   4           HD1      ARG   4  39.007  18.804  10.430
   45    HE   ARG   4           HE       ARG   4  40.924  19.236   8.461
   46   HH11  ARG   4          HH11      ARG   4  40.472  20.699  11.188
   47   HH12  ARG   4          HH12      ARG   4  40.565  22.344  10.656
   48   HH21  ARG   4          HH21      ARG   4  40.235  21.556   7.296
   49   HH22  ARG   4          HH22      ARG   4  40.434  22.829   8.452
   50    H    ILE   5           HN       ILE   5  41.196  14.395  10.239
   51    HA   ILE   5           HA       ILE   5  43.864  14.082   9.010
   52    HB   ILE   5           HB       ILE   5  42.890  13.024  11.697
   53   HG12  ILE   5          HG12      ILE   5  42.357  15.350  11.775
   54   HG13  ILE   5          HG11      ILE   5  43.920  15.206  12.600
   55   HG21  ILE   5          HG21      ILE   5  45.395  13.457  12.222
   56   HG22  ILE   5          HG22      ILE   5  45.616  13.571  10.462
   57   HG23  ILE   5          HG23      ILE   5  44.998  12.073  11.183
   58   HD11  ILE   5           HD1      ILE   5  44.996  15.796  10.326
   59   HD12  ILE   5           HD2      ILE   5  44.121  17.099  11.155
   60   HD13  ILE   5           HD3      ILE   5  43.359  16.244   9.795
   61    H    GLY   6           HN       GLY   6  40.961  12.243   9.388
   62    HA2  GLY   6           HA1      GLY   6  42.158   9.615   9.389
   63    HA3  GLY   6           HA2      GLY   6  40.476  10.012   8.989
   64    H    LYS   7           HN       LYS   7  41.280  11.927   6.883
   65    HA   LYS   7           HA       LYS   7  42.801  10.406   4.911
   66    HB2  LYS   7           HB2      LYS   7  40.708   9.111   4.852
   67    HB3  LYS   7           HB1      LYS   7  39.781  10.606   4.580
   68    HG2  LYS   7           HG2      LYS   7  40.736  10.942   2.420
   69    HG3  LYS   7           HG1      LYS   7  42.041   9.771   2.722
   70    HD2  LYS   7           HD2      LYS   7  40.267   8.847   1.224
   71    HD3  LYS   7           HD1      LYS   7  40.428   7.920   2.734
   72    HE2  LYS   7           HE2      LYS   7  38.451   8.881   3.663
   73    HE3  LYS   7           HE1      LYS   7  38.408  10.177   2.442
   74    HZ1  LYS   7           HZ1      LYS   7  38.104   8.383   0.753
   75    HZ2  LYS   7           HZ2      LYS   7  36.806   8.554   1.837
   76    HZ3  LYS   7           HZ3      LYS   7  37.909   7.276   2.023
   77    H    GLY   8           HN       GLY   8  39.903  12.422   4.395
   78    HA2  GLY   8           HA1      GLY   8  39.708  14.410   3.212
   79    HA3  GLY   8           HA2      GLY   8  40.994  14.962   4.303
   80    H    VAL   9           HN       VAL   9  40.211  13.686   1.119
   81    HA   VAL   9           HA       VAL   9  42.954  13.600   0.179
   82    HB   VAL   9           HB       VAL   9  40.520  14.001  -1.610
   83   HG11  VAL   9          HG11      VAL   9  43.146  12.459  -1.870
   84   HG12  VAL   9          HG12      VAL   9  42.692  13.939  -2.745
   85   HG13  VAL   9          HG13      VAL   9  41.831  12.419  -3.066
   86   HG21  VAL   9          HG21      VAL   9  41.414  11.477  -0.153
   87   HG22  VAL   9          HG22      VAL   9  40.287  11.485  -1.531
   88   HG23  VAL   9          HG23      VAL   9  39.842  12.300  -0.013
   89    H    LYS  10           HN       LYS  10  41.155  16.123   1.228
   90    HA   LYS  10           HA       LYS  10  41.398  18.413   1.057
   91    HB2  LYS  10           HB2      LYS  10  43.742  17.936  -0.813
   92    HB3  LYS  10           HB1      LYS  10  43.408  19.372   0.174
   93    HG2  LYS  10           HG2      LYS  10  43.839  18.189   2.223
   94    HG3  LYS  10           HG1      LYS  10  43.871  16.616   1.393
   95    HD2  LYS  10           HD2      LYS  10  45.876  17.264   0.152
   96    HD3  LYS  10           HD1      LYS  10  45.835  18.887   0.885
   97    HE2  LYS  10           HE2      LYS  10  46.223  16.241   2.353
   98    HE3  LYS  10           HE1      LYS  10  47.452  17.503   2.097
   99    HZ1  LYS  10           HZ1      LYS  10  45.598  18.967   3.235
  100    HZ2  LYS  10           HZ2      LYS  10  46.716  18.077   4.155
  101    HZ3  LYS  10           HZ3      LYS  10  45.146  17.477   3.909
  102    H    ILE  11           HN       ILE  11  40.941  16.420  -1.680
  103    HA   ILE  11           HA       ILE  11  39.855  18.769  -3.239
  104    HB   ILE  11           HB       ILE  11  40.983  16.223  -4.462
  105   HG12  ILE  11          HG12      ILE  11  42.364  18.914  -4.033
  106   HG13  ILE  11          HG11      ILE  11  42.788  17.388  -3.223
  107   HG21  ILE  11          HG21      ILE  11  40.609  18.986  -5.692
  108   HG22  ILE  11          HG22      ILE  11  39.327  17.753  -5.718
  109   HG23  ILE  11          HG23      ILE  11  40.878  17.439  -6.528
  110   HD11  ILE  11           HD1      ILE  11  43.103  18.128  -6.151
  111   HD12  ILE  11           HD2      ILE  11  43.085  16.426  -5.627
  112   HD13  ILE  11           HD3      ILE  11  44.336  17.534  -5.016
  113    H    ILE  12           HN       ILE  12  39.679  15.237  -2.661
  114    HA   ILE  12           HA       ILE  12  36.902  15.205  -3.762
  115    HB   ILE  12           HB       ILE  12  38.698  12.968  -2.753
  116   HG12  ILE  12          HG12      ILE  12  37.996  13.647  -5.650
  117   HG13  ILE  12          HG11      ILE  12  39.451  14.278  -4.851
  118   HG21  ILE  12          HG21      ILE  12  36.994  11.604  -4.235
  119   HG22  ILE  12          HG22      ILE  12  35.948  13.028  -4.059
  120   HG23  ILE  12          HG23      ILE  12  36.481  12.126  -2.622
  121   HD11  ILE  12           HD1      ILE  12  40.311  12.355  -5.874
  122   HD12  ILE  12           HD2      ILE  12  38.805  11.436  -5.674
  123   HD13  ILE  12           HD3      ILE  12  39.880  11.698  -4.280
  124    H    GLY  13           HN       GLY  13  37.894  12.941  -1.258
  125    HA2  GLY  13           HA1      GLY  13  35.620  13.455   0.377
  126    HA3  GLY  13           HA2      GLY  13  37.114  12.648   0.908
  127    H    GLY  14           HN       GLY  14  38.233  15.246  -0.402
  128    HA2  GLY  14           HA1      GLY  14  38.558  16.727   2.134
  129    HA3  GLY  14           HA2      GLY  14  39.369  17.049   0.585
  130    H    ALA  15           HN       ALA  15  37.322  17.279  -1.223
  131    HA   ALA  15           HA       ALA  15  36.107  19.855  -0.303
  132    HB1  ALA  15           HB1      ALA  15  35.465  20.163  -2.582
  133    HB2  ALA  15           HB2      ALA  15  35.713  18.444  -2.965
  134    HB3  ALA  15           HB3      ALA  15  37.111  19.494  -2.623
  135    H    ALA  16           HN       ALA  16  35.456  17.274   0.916
  136    HA   ALA  16           HA       ALA  16  33.563  16.296   1.787
  137    HB1  ALA  16           HB1      ALA  16  31.768  18.034   0.076
  138    HB2  ALA  16           HB2      ALA  16  32.636  18.725   1.467
  139    HB3  ALA  16           HB3      ALA  16  31.488  17.387   1.709
  140    H    LEU  17           HN       LEU  17  34.937  15.057  -0.222
  141    HA   LEU  17           HA       LEU  17  34.658  13.361  -1.787
  142    HB2  LEU  17           HB2      LEU  17  31.673  13.443  -1.201
  143    HB3  LEU  17           HB1      LEU  17  32.604  12.093  -1.871
  144    HG   LEU  17           HG       LEU  17  33.331  13.192   0.871
  145   HD11  LEU  17          HD11      LEU  17  30.935  12.803   1.047
  146   HD12  LEU  17          HD12      LEU  17  31.793  11.469   1.857
  147   HD13  LEU  17          HD13      LEU  17  31.093  11.226   0.238
  148   HD21  LEU  17          HD21      LEU  17  34.246  11.002   1.213
  149   HD22  LEU  17          HD22      LEU  17  34.712  11.442  -0.445
  150   HD23  LEU  17          HD23      LEU  17  33.356  10.328  -0.172
  151    H    ASP  18           HN       ASP  18  34.208  16.304  -2.371
  152    HA   ASP  18           HA       ASP  18  33.656  17.603  -4.206
  153    HB2  ASP  18           HB2      ASP  18  35.142  16.024  -5.368
  154    HB3  ASP  18           HB1      ASP  18  33.774  14.920  -5.644
  155    H    HIS  19           HN       HIS  19  31.978  14.700  -5.416
  156    HA   HIS  19           HA       HIS  19  29.629  16.066  -6.165
  157    HB2  HIS  19           HB2      HIS  19  29.955  13.171  -5.279
  158    HB3  HIS  19           HB1      HIS  19  28.549  13.825  -6.154
  159    HD1  HIS  19           HD1      HIS  19  30.088  15.714  -8.131
  160    HD2  HIS  19           HD2      HIS  19  31.172  11.729  -7.334
  161    HE1  HIS  19           HE1      HIS  19  31.413  14.867 -10.144
  162    H    LEU  20           HN       LEU  20  30.584  14.688  -3.049
  163    HA   LEU  20           HA       LEU  20  29.553  14.759  -0.977
  164    HB2  LEU  20           HB2      LEU  20  29.900  17.139  -1.152
  165    HB3  LEU  20           HB1      LEU  20  28.499  17.324  -2.229
  166    HG   LEU  20           HG       LEU  20  26.951  16.812  -0.435
  167   HD11  LEU  20          HD11      LEU  20  28.010  15.051   0.776
  168   HD12  LEU  20          HD12      LEU  20  27.949  16.406   1.925
  169   HD13  LEU  20          HD13      LEU  20  29.469  16.023   1.081
  170   HD21  LEU  20          HD21      LEU  20  29.149  18.622   0.661
  171   HD22  LEU  20          HD22      LEU  20  27.428  18.644   1.119
  172   HD23  LEU  20          HD23      LEU  20  27.920  19.122  -0.525
  Start of MODEL   70
    1    H1   TRP   1           HT1      TRP   1  49.102  16.611  14.169
    2    H2   TRP   1           HT2      TRP   1  49.317  18.279  14.414
    3    H3   TRP   1           HT3      TRP   1  49.809  17.558  12.955
    4    HA   TRP   1           HA       TRP   1  47.176  18.341  13.870
    5    HB2  TRP   1           HB2      TRP   1  48.658  18.209  11.216
    6    HB3  TRP   1           HB1      TRP   1  46.949  18.685  11.355
    7    HD1  TRP   1           HD1      TRP   1  46.427  21.084  12.135
    8    HE1  TRP   1           HE1      TRP   1  47.838  23.160  12.811
    9    HE3  TRP   1           HE3      TRP   1  51.030  18.865  12.449
   10    HZ2  TRP   1           HZ2      TRP   1  50.593  23.745  13.404
   11    HZ3  TRP   1           HZ3      TRP   1  53.036  20.202  13.073
   12    HH2  TRP   1           HH2      TRP   1  52.823  22.638  13.550
   13    H    LEU   2           HN       LEU   2  45.289  17.453  12.733
   14    HA   LEU   2           HA       LEU   2  45.156  14.609  13.062
   15    HB2  LEU   2           HB2      LEU   2  43.267  16.388  13.141
   16    HB3  LEU   2           HB1      LEU   2  43.247  16.259  11.370
   17    HG   LEU   2           HG       LEU   2  43.071  13.643  11.835
   18   HD11  LEU   2          HD11      LEU   2  42.081  14.858  14.456
   19   HD12  LEU   2          HD12      LEU   2  43.391  13.671  14.255
   20   HD13  LEU   2          HD13      LEU   2  41.711  13.206  13.914
   21   HD21  LEU   2          HD21      LEU   2  40.742  15.544  12.361
   22   HD22  LEU   2          HD22      LEU   2  40.599  13.834  11.886
   23   HD23  LEU   2          HD23      LEU   2  41.312  15.015  10.761
   24    H    ARG   3           HN       ARG   3  46.293  16.590  10.509
   25    HA   ARG   3           HA       ARG   3  47.260  16.019   8.489
   26    HB2  ARG   3           HB2      ARG   3  47.810  13.804   9.790
   27    HB3  ARG   3           HB1      ARG   3  46.492  13.099   8.829
   28    HG2  ARG   3           HG2      ARG   3  47.619  13.869   6.744
   29    HG3  ARG   3           HG1      ARG   3  48.958  14.515   7.722
   30    HD2  ARG   3           HD2      ARG   3  49.216  12.157   8.692
   31    HD3  ARG   3           HD1      ARG   3  48.101  11.611   7.415
   32    HE   ARG   3           HE       ARG   3  49.865  11.865   5.864
   33   HH11  ARG   3          HH11      ARG   3  51.221  12.148   8.840
   34   HH12  ARG   3          HH12      ARG   3  52.514  13.207   8.385
   35   HH21  ARG   3          HH21      ARG   3  51.226  13.857   5.231
   36   HH22  ARG   3          HH22      ARG   3  52.517  14.174   6.342
   37    H    ARG   4           HN       ARG   4  44.517  13.709   8.880
   38    HA   ARG   4           HA       ARG   4  43.593  14.177   6.178
   39    HB2  ARG   4           HB2      ARG   4  42.162  12.981   8.585
   40    HB3  ARG   4           HB1      ARG   4  41.605  12.884   6.897
   41    HG2  ARG   4           HG2      ARG   4  43.601  11.639   6.254
   42    HG3  ARG   4           HG1      ARG   4  44.301  11.849   7.878
   43    HD2  ARG   4           HD2      ARG   4  43.331   9.622   7.761
   44    HD3  ARG   4           HD1      ARG   4  42.302  10.617   8.818
   45    HE   ARG   4           HE       ARG   4  41.268  10.820   6.177
   46   HH11  ARG   4          HH11      ARG   4  40.125   9.034   5.203
   47   HH12  ARG   4          HH12      ARG   4  39.506   7.812   6.264
   48   HH21  ARG   4          HH21      ARG   4  41.183   9.011   9.053
   49   HH22  ARG   4          HH22      ARG   4  40.103   7.801   8.444
   50    H    ILE   5           HN       ILE   5  43.698  16.253   8.684
   51    HA   ILE   5           HA       ILE   5  42.584  18.213   9.186
   52    HB   ILE   5           HB       ILE   5  41.085  17.869   6.557
   53   HG12  ILE   5          HG12      ILE   5  43.386  17.585   5.963
   54   HG13  ILE   5          HG11      ILE   5  43.011  19.280   5.604
   55   HG21  ILE   5          HG21      ILE   5  41.327  20.462   6.666
   56   HG22  ILE   5          HG22      ILE   5  41.710  20.217   8.385
   57   HG23  ILE   5          HG23      ILE   5  40.145  19.684   7.738
   58   HD11  ILE   5           HD1      ILE   5  45.119  19.325   6.720
   59   HD12  ILE   5           HD2      ILE   5  44.589  18.152   7.946
   60   HD13  ILE   5           HD3      ILE   5  43.945  19.810   7.962
   61    H    GLY   6           HN       GLY   6  39.974  16.647   7.287
   62    HA2  GLY   6           HA1      GLY   6  38.451  16.183   9.814
   63    HA3  GLY   6           HA2      GLY   6  37.738  17.228   8.567
   64    H    LYS   7           HN       LYS   7  39.542  14.121   8.589
   65    HA   LYS   7           HA       LYS   7  39.043  12.100   7.574
   66    HB2  LYS   7           HB2      LYS   7  36.126  12.941   7.684
   67    HB3  LYS   7           HB1      LYS   7  36.798  11.292   7.707
   68    HG2  LYS   7           HG2      LYS   7  37.966  11.893   9.878
   69    HG3  LYS   7           HG1      LYS   7  37.044  13.415   9.879
   70    HD2  LYS   7           HD2      LYS   7  34.923  12.038   9.712
   71    HD3  LYS   7           HD1      LYS   7  35.922  10.583   9.956
   72    HE2  LYS   7           HE2      LYS   7  35.779  12.954  11.871
   73    HE3  LYS   7           HE1      LYS   7  34.932  11.404  12.094
   74    HZ1  LYS   7           HZ1      LYS   7  37.312  10.440  11.769
   75    HZ2  LYS   7           HZ2      LYS   7  36.851  11.068  13.279
   76    HZ3  LYS   7           HZ3      LYS   7  37.816  11.993  12.230
   77    H    GLY   8           HN       GLY   8  40.074  13.456   5.732
   78    HA2  GLY   8           HA1      GLY   8  38.537  12.843   3.336
   79    HA3  GLY   8           HA2      GLY   8  38.680  14.589   3.622
   80    H    VAL   9           HN       VAL   9  39.713  13.394   1.339
   81    HA   VAL   9           HA       VAL   9  42.524  12.756   1.680
   82    HB   VAL   9           HB       VAL   9  41.013  13.661  -0.813
   83   HG11  VAL   9          HG11      VAL   9  43.381  13.960  -1.165
   84   HG12  VAL   9          HG12      VAL   9  42.940  12.421  -1.942
   85   HG13  VAL   9          HG13      VAL   9  43.757  12.418  -0.360
   86   HG21  VAL   9          HG21      VAL   9  41.769  10.869   0.162
   87   HG22  VAL   9          HG22      VAL   9  40.857  11.267  -1.313
   88   HG23  VAL   9          HG23      VAL   9  40.140  11.577   0.287
   89    H    LYS  10           HN       LYS  10  41.324  15.394  -0.402
   90    HA   LYS  10           HA       LYS  10  42.548  17.509   1.127
   91    HB2  LYS  10           HB2      LYS  10  44.597  16.256   0.278
   92    HB3  LYS  10           HB1      LYS  10  44.082  16.683  -1.364
   93    HG2  LYS  10           HG2      LYS  10  45.638  18.379  -0.776
   94    HG3  LYS  10           HG1      LYS  10  44.049  19.139  -0.558
   95    HD2  LYS  10           HD2      LYS  10  44.173  19.016   1.812
   96    HD3  LYS  10           HD1      LYS  10  45.454  17.784   1.779
   97    HE2  LYS  10           HE2      LYS  10  46.161  20.196   2.365
   98    HE3  LYS  10           HE1      LYS  10  47.104  19.363   1.107
   99    HZ1  LYS  10           HZ1      LYS  10  46.269  21.739   0.660
  100    HZ2  LYS  10           HZ2      LYS  10  44.758  21.012   0.386
  101    HZ3  LYS  10           HZ3      LYS  10  46.097  20.579  -0.566
  102    H    ILE  11           HN       ILE  11  41.298  16.182  -1.872
  103    HA   ILE  11           HA       ILE  11  40.149  18.890  -2.533
  104    HB   ILE  11           HB       ILE  11  41.082  16.889  -4.634
  105   HG12  ILE  11          HG12      ILE  11  42.551  19.313  -3.495
  106   HG13  ILE  11          HG11      ILE  11  43.049  17.613  -3.340
  107   HG21  ILE  11          HG21      ILE  11  40.611  19.891  -4.858
  108   HG22  ILE  11          HG22      ILE  11  39.311  18.703  -5.114
  109   HG23  ILE  11          HG23      ILE  11  40.742  18.695  -6.170
  110   HD11  ILE  11           HD1      ILE  11  43.014  17.570  -5.945
  111   HD12  ILE  11           HD2      ILE  11  44.352  18.432  -5.148
  112   HD13  ILE  11           HD3      ILE  11  42.987  19.347  -5.832
  113    H    ILE  12           HN       ILE  12  40.020  15.362  -3.170
  114    HA   ILE  12           HA       ILE  12  37.222  15.513  -4.024
  115    HB   ILE  12           HB       ILE  12  38.958  13.146  -3.241
  116   HG12  ILE  12          HG12      ILE  12  38.297  14.123  -6.061
  117   HG13  ILE  12          HG11      ILE  12  39.753  14.651  -5.192
  118   HG21  ILE  12          HG21      ILE  12  36.241  13.390  -4.600
  119   HG22  ILE  12          HG22      ILE  12  36.697  12.378  -3.209
  120   HG23  ILE  12          HG23      ILE  12  37.256  11.951  -4.835
  121   HD11  ILE  12           HD1      ILE  12  39.070  11.907  -6.279
  122   HD12  ILE  12           HD2      ILE  12  40.153  12.031  -4.872
  123   HD13  ILE  12           HD3      ILE  12  40.586  12.824  -6.402
  124    H    GLY  13           HN       GLY  13  38.197  12.999  -1.742
  125    HA2  GLY  13           HA1      GLY  13  35.902  13.324  -0.083
  126    HA3  GLY  13           HA2      GLY  13  37.410  12.502   0.382
  127    H    GLY  14           HN       GLY  14  38.512  15.203  -0.690
  128    HA2  GLY  14           HA1      GLY  14  38.859  16.444   1.954
  129    HA3  GLY  14           HA2      GLY  14  39.601  16.954   0.421
  130    H    ALA  15           HN       ALA  15  37.417  17.313  -1.258
  131    HA   ALA  15           HA       ALA  15  36.219  19.751   0.012
  132    HB1  ALA  15           HB1      ALA  15  35.369  20.250  -2.199
  133    HB2  ALA  15           HB2      ALA  15  35.812  18.633  -2.789
  134    HB3  ALA  15           HB3      ALA  15  37.083  19.804  -2.346
  135    H    ALA  16           HN       ALA  16  35.670  17.042   0.945
  136    HA   ALA  16           HA       ALA  16  33.818  15.978   1.822
  137    HB1  ALA  16           HB1      ALA  16  32.804  18.401   1.652
  138    HB2  ALA  16           HB2      ALA  16  31.720  17.010   1.885
  139    HB3  ALA  16           HB3      ALA  16  31.904  17.734   0.271
  140    H    LEU  17           HN       LEU  17  35.211  15.114  -0.509
  141    HA   LEU  17           HA       LEU  17  34.916  13.552  -2.207
  142    HB2  LEU  17           HB2      LEU  17  33.203  12.775  -0.209
  143    HB3  LEU  17           HB1      LEU  17  32.044  12.974  -1.537
  144    HG   LEU  17           HG       LEU  17  34.589  11.283  -1.666
  145   HD11  LEU  17          HD11      LEU  17  31.674  10.402  -1.508
  146   HD12  LEU  17          HD12      LEU  17  32.783  10.431  -0.115
  147   HD13  LEU  17          HD13      LEU  17  33.115   9.358  -1.496
  148   HD21  LEU  17          HD21      LEU  17  33.941  12.124  -3.867
  149   HD22  LEU  17          HD22      LEU  17  32.242  11.674  -3.580
  150   HD23  LEU  17          HD23      LEU  17  33.482  10.409  -3.756
  151    H    ASP  18           HN       ASP  18  34.166  16.404  -2.533
  152    HA   ASP  18           HA       ASP  18  33.125  17.770  -4.097
  153    HB2  ASP  18           HB2      ASP  18  34.615  16.553  -5.598
  154    HB3  ASP  18           HB1      ASP  18  33.436  15.230  -5.750
  155    H    HIS  19           HN       HIS  19  31.654  14.950  -5.612
  156    HA   HIS  19           HA       HIS  19  29.073  16.021  -5.747
  157    HB2  HIS  19           HB2      HIS  19  29.841  13.089  -5.459
  158    HB3  HIS  19           HB1      HIS  19  28.294  13.705  -6.090
  159    HD1  HIS  19           HD1      HIS  19  32.013  13.542  -6.894
  160    HD2  HIS  19           HD2      HIS  19  28.418  14.724  -8.729
  161    HE1  HIS  19           HE1      HIS  19  32.512  13.924  -9.372
  162    H    LEU  20           HN       LEU  20  30.711  14.574  -3.021
  163    HA   LEU  20           HA       LEU  20  30.006  14.152  -0.855
  164    HB2  LEU  20           HB2      LEU  20  29.741  16.543  -0.749
  165    HB3  LEU  20           HB1      LEU  20  28.197  16.475  -1.626
  166    HG   LEU  20           HG       LEU  20  27.089  15.411   0.247
  167   HD11  LEU  20          HD11      LEU  20  29.913  15.139   1.353
  168   HD12  LEU  20          HD12      LEU  20  28.701  13.862   1.085
  169   HD13  LEU  20          HD13      LEU  20  28.481  15.034   2.405
  170   HD21  LEU  20          HD21      LEU  20  27.366  17.134   1.987
  171   HD22  LEU  20          HD22      LEU  20  27.424  17.878   0.371
  172   HD23  LEU  20          HD23      LEU  20  28.929  17.614   1.285
  Start of MODEL   71
    1    H1   TRP   1           HT1      TRP   1  32.645   5.483  11.612
    2    H2   TRP   1           HT2      TRP   1  34.254   4.965  11.779
    3    H3   TRP   1           HT3      TRP   1  33.035   3.850  11.381
    4    HA   TRP   1           HA       TRP   1  32.637   5.104   9.319
    5    HB2  TRP   1           HB2      TRP   1  35.267   6.411  10.127
    6    HB3  TRP   1           HB1      TRP   1  34.400   6.646   8.589
    7    HD1  TRP   1           HD1      TRP   1  32.493   8.369   8.543
    8    HE1  TRP   1           HE1      TRP   1  31.372   9.949  10.279
    9    HE3  TRP   1           HE3      TRP   1  34.625   6.519  12.814
   10    HZ2  TRP   1           HZ2      TRP   1  31.418  10.330  13.132
   11    HZ3  TRP   1           HZ3      TRP   1  34.071   7.506  15.032
   12    HH2  TRP   1           HH2      TRP   1  32.471   9.408  15.195
   13    H    LEU   2           HN       LEU   2  33.868   4.535   7.360
   14    HA   LEU   2           HA       LEU   2  35.092   1.918   7.699
   15    HB2  LEU   2           HB2      LEU   2  35.133   3.604   5.177
   16    HB3  LEU   2           HB1      LEU   2  35.149   1.829   5.323
   17    HG   LEU   2           HG       LEU   2  32.844   3.694   6.045
   18   HD11  LEU   2          HD11      LEU   2  32.997   1.476   3.962
   19   HD12  LEU   2          HD12      LEU   2  33.312   3.187   3.590
   20   HD13  LEU   2          HD13      LEU   2  31.706   2.683   4.171
   21   HD21  LEU   2          HD21      LEU   2  31.643   1.407   6.334
   22   HD22  LEU   2          HD22      LEU   2  32.742   1.914   7.636
   23   HD23  LEU   2          HD23      LEU   2  33.275   0.704   6.443
   24    H    ARG   3           HN       ARG   3  36.251   5.079   7.958
   25    HA   ARG   3           HA       ARG   3  38.389   5.868   8.336
   26    HB2  ARG   3           HB2      ARG   3  38.719   3.469   9.317
   27    HB3  ARG   3           HB1      ARG   3  39.580   3.125   7.801
   28    HG2  ARG   3           HG2      ARG   3  41.028   5.146   8.242
   29    HG3  ARG   3           HG1      ARG   3  40.249   5.292   9.836
   30    HD2  ARG   3           HD2      ARG   3  40.944   2.896  10.296
   31    HD3  ARG   3           HD1      ARG   3  41.895   2.949   8.792
   32    HE   ARG   3           HE       ARG   3  42.632   5.197  10.381
   33   HH11  ARG   3          HH11      ARG   3  44.367   2.928   9.189
   34   HH12  ARG   3          HH12      ARG   3  45.118   2.325  10.628
   35   HH21  ARG   3          HH21      ARG   3  42.903   3.916  12.770
   36   HH22  ARG   3          HH22      ARG   3  44.289   2.884  12.657
   37    H    ARG   4           HN       ARG   4  37.927   3.643   5.608
   38    HA   ARG   4           HA       ARG   4  40.108   4.769   4.044
   39    HB2  ARG   4           HB2      ARG   4  39.144   2.459   3.735
   40    HB3  ARG   4           HB1      ARG   4  37.676   3.219   3.073
   41    HG2  ARG   4           HG2      ARG   4  38.965   4.263   1.279
   42    HG3  ARG   4           HG1      ARG   4  40.488   3.661   1.977
   43    HD2  ARG   4           HD2      ARG   4  38.201   1.922   0.948
   44    HD3  ARG   4           HD1      ARG   4  39.734   2.227   0.096
   45    HE   ARG   4           HE       ARG   4  40.534   1.240   2.564
   46   HH11  ARG   4          HH11      ARG   4  39.308   0.163  -0.395
   47   HH12  ARG   4          HH12      ARG   4  39.133  -1.490   0.090
   48   HH21  ARG   4          HH21      ARG   4  39.916  -0.874   3.411
   49   HH22  ARG   4          HH22      ARG   4  39.477  -2.077   2.245
   50    H    ILE   5           HN       ILE   5  36.588   5.275   4.307
   51    HA   ILE   5           HA       ILE   5  36.744   7.423   2.219
   52    HB   ILE   5           HB       ILE   5  34.260   6.467   3.706
   53   HG12  ILE   5          HG12      ILE   5  35.567   5.386   1.168
   54   HG13  ILE   5          HG11      ILE   5  35.269   4.498   2.679
   55   HG21  ILE   5          HG21      ILE   5  33.076   7.470   1.871
   56   HG22  ILE   5          HG22      ILE   5  34.567   7.655   0.916
   57   HG23  ILE   5          HG23      ILE   5  34.305   8.659   2.361
   58   HD11  ILE   5           HD1      ILE   5  33.256   5.463   0.623
   59   HD12  ILE   5           HD2      ILE   5  32.755   5.088   2.289
   60   HD13  ILE   5           HD3      ILE   5  33.485   3.823   1.270
   61    H    GLY   6           HN       GLY   6  35.888   6.874   5.649
   62    HA2  GLY   6           HA1      GLY   6  34.996   9.453   6.301
   63    HA3  GLY   6           HA2      GLY   6  35.845   8.365   7.417
   64    H    LYS   7           HN       LYS   7  38.268   8.284   5.729
   65    HA   LYS   7           HA       LYS   7  39.559  10.637   6.878
   66    HB2  LYS   7           HB2      LYS   7  40.630   8.363   6.625
   67    HB3  LYS   7           HB1      LYS   7  40.683   8.649   4.869
   68    HG2  LYS   7           HG2      LYS   7  42.029  10.689   5.226
   69    HG3  LYS   7           HG1      LYS   7  41.959  10.435   6.988
   70    HD2  LYS   7           HD2      LYS   7  43.040   8.173   6.622
   71    HD3  LYS   7           HD1      LYS   7  43.272   8.626   4.917
   72    HE2  LYS   7           HE2      LYS   7  45.320   9.172   6.069
   73    HE3  LYS   7           HE1      LYS   7  44.483  10.710   5.745
   74    HZ1  LYS   7           HZ1      LYS   7  45.147   9.497   8.248
   75    HZ2  LYS   7           HZ2      LYS   7  43.490   9.859   8.156
   76    HZ3  LYS   7           HZ3      LYS   7  44.643  11.083   7.916
   77    H    GLY   8           HN       GLY   8  38.974  12.555   6.000
   78    HA2  GLY   8           HA1      GLY   8  38.455  12.898   3.181
   79    HA3  GLY   8           HA2      GLY   8  38.666  14.186   4.383
   80    H    VAL   9           HN       VAL   9  39.790  13.182   1.532
   81    HA   VAL   9           HA       VAL   9  42.660  13.215   1.983
   82    HB   VAL   9           HB       VAL   9  41.072  13.708  -0.578
   83   HG11  VAL   9          HG11      VAL   9  44.015  13.151  -0.012
   84   HG12  VAL   9          HG12      VAL   9  43.319  14.563  -0.845
   85   HG13  VAL   9          HG13      VAL   9  43.278  12.963  -1.621
   86   HG21  VAL   9          HG21      VAL   9  41.588  11.331  -1.034
   87   HG22  VAL   9          HG22      VAL   9  40.648  11.496   0.467
   88   HG23  VAL   9          HG23      VAL   9  42.401  11.200   0.544
   89    H    LYS  10           HN       LYS  10  41.184  15.464  -0.334
   90    HA   LYS  10           HA       LYS  10  41.615  17.838   1.245
   91    HB2  LYS  10           HB2      LYS  10  43.999  17.192   0.919
   92    HB3  LYS  10           HB1      LYS  10  43.751  17.246  -0.842
   93    HG2  LYS  10           HG2      LYS  10  43.238  19.607  -0.775
   94    HG3  LYS  10           HG1      LYS  10  43.190  19.603   1.004
   95    HD2  LYS  10           HD2      LYS  10  45.584  19.056   1.098
   96    HD3  LYS  10           HD1      LYS  10  45.653  18.963  -0.678
   97    HE2  LYS  10           HE2      LYS  10  46.479  21.151   0.048
   98    HE3  LYS  10           HE1      LYS  10  44.924  21.359  -0.793
   99    HZ1  LYS  10           HZ1      LYS  10  43.863  21.910   1.119
  100    HZ2  LYS  10           HZ2      LYS  10  45.416  22.439   1.560
  101    HZ3  LYS  10           HZ3      LYS  10  44.841  20.934   2.101
  102    H    ILE  11           HN       ILE  11  41.212  16.204  -1.840
  103    HA   ILE  11           HA       ILE  11  39.812  18.664  -2.909
  104    HB   ILE  11           HB       ILE  11  41.159  16.534  -4.616
  105   HG12  ILE  11          HG12      ILE  11  42.281  19.183  -3.593
  106   HG13  ILE  11          HG11      ILE  11  42.896  17.557  -3.216
  107   HG21  ILE  11          HG21      ILE  11  39.332  18.115  -5.521
  108   HG22  ILE  11          HG22      ILE  11  40.881  18.116  -6.393
  109   HG23  ILE  11          HG23      ILE  11  40.496  19.437  -5.263
  110   HD11  ILE  11           HD1      ILE  11  42.987  19.046  -5.861
  111   HD12  ILE  11           HD2      ILE  11  43.179  17.277  -5.788
  112   HD13  ILE  11           HD3      ILE  11  44.332  18.335  -4.941
  113    H    ILE  12           HN       ILE  12  40.064  15.088  -3.207
  114    HA   ILE  12           HA       ILE  12  37.311  14.947  -4.266
  115    HB   ILE  12           HB       ILE  12  39.241  12.770  -3.390
  116   HG12  ILE  12          HG12      ILE  12  40.264  14.070  -5.166
  117   HG13  ILE  12          HG11      ILE  12  39.719  12.528  -5.857
  118   HG21  ILE  12          HG21      ILE  12  37.214  11.619  -3.521
  119   HG22  ILE  12          HG22      ILE  12  37.699  11.514  -5.226
  120   HG23  ILE  12          HG23      ILE  12  36.515  12.739  -4.710
  121   HD11  ILE  12           HD1      ILE  12  38.991  14.101  -7.456
  122   HD12  ILE  12           HD2      ILE  12  38.549  15.303  -6.224
  123   HD13  ILE  12           HD3      ILE  12  37.531  13.865  -6.471
  124    H    GLY  13           HN       GLY  13  38.337  12.468  -2.003
  125    HA2  GLY  13           HA1      GLY  13  35.981  12.555  -0.446
  126    HA3  GLY  13           HA2      GLY  13  37.544  11.911   0.105
  127    H    GLY  14           HN       GLY  14  38.455  14.705  -0.828
  128    HA2  GLY  14           HA1      GLY  14  38.431  15.945   1.835
  129    HA3  GLY  14           HA2      GLY  14  39.252  16.546   0.376
  130    H    ALA  15           HN       ALA  15  37.249  16.763  -1.505
  131    HA   ALA  15           HA       ALA  15  35.671  19.014  -0.310
  132    HB1  ALA  15           HB1      ALA  15  36.789  19.178  -2.581
  133    HB2  ALA  15           HB2      ALA  15  35.054  19.561  -2.557
  134    HB3  ALA  15           HB3      ALA  15  35.604  17.984  -3.166
  135    H    ALA  16           HN       ALA  16  35.308  16.214   0.469
  136    HA   ALA  16           HA       ALA  16  33.480  14.968   1.135
  137    HB1  ALA  16           HB1      ALA  16  31.298  15.787   0.987
  138    HB2  ALA  16           HB2      ALA  16  31.574  16.553  -0.595
  139    HB3  ALA  16           HB3      ALA  16  32.252  17.283   0.879
  140    H    LEU  17           HN       LEU  17  35.188  14.219  -0.970
  141    HA   LEU  17           HA       LEU  17  35.244  12.657  -2.695
  142    HB2  LEU  17           HB2      LEU  17  33.614  11.520  -1.016
  143    HB3  LEU  17           HB1      LEU  17  32.330  12.022  -2.135
  144    HG   LEU  17           HG       LEU  17  33.943  10.891  -3.972
  145   HD11  LEU  17          HD11      LEU  17  34.576   9.202  -1.515
  146   HD12  LEU  17          HD12      LEU  17  35.697  10.431  -2.142
  147   HD13  LEU  17          HD13      LEU  17  35.239   9.045  -3.158
  148   HD21  LEU  17          HD21      LEU  17  32.740   8.705  -3.560
  149   HD22  LEU  17          HD22      LEU  17  31.668  10.126  -3.568
  150   HD23  LEU  17          HD23      LEU  17  32.145   9.377  -2.024
  151    H    ASP  18           HN       ASP  18  34.774  15.280  -3.455
  152    HA   ASP  18           HA       ASP  18  33.990  16.542  -5.236
  153    HB2  ASP  18           HB2      ASP  18  35.150  14.675  -6.452
  154    HB3  ASP  18           HB1      ASP  18  33.582  13.839  -6.573
  155    H    HIS  19           HN       HIS  19  32.087  16.217  -3.294
  156    HA   HIS  19           HA       HIS  19  29.793  16.263  -2.927
  157    HB2  HIS  19           HB2      HIS  19  29.792  17.109  -5.853
  158    HB3  HIS  19           HB1      HIS  19  28.456  17.344  -4.701
  159    HD1  HIS  19           HD1      HIS  19  28.763  19.102  -2.799
  160    HD2  HIS  19           HD2      HIS  19  31.945  18.916  -5.541
  161    HE1  HIS  19           HE1      HIS  19  30.248  21.140  -2.382
  162    H    LEU  20           HN       LEU  20  30.523  13.718  -3.163
  163    HA   LEU  20           HA       LEU  20  29.812  11.594  -3.788
  164    HB2  LEU  20           HB2      LEU  20  27.258  13.234  -3.888
  165    HB3  LEU  20           HB1      LEU  20  27.246  11.488  -4.228
  166    HG   LEU  20           HG       LEU  20  28.182  10.994  -2.032
  167   HD11  LEU  20          HD11      LEU  20  29.693  12.793  -1.618
  168   HD12  LEU  20          HD12      LEU  20  28.421  12.987  -0.392
  169   HD13  LEU  20          HD13      LEU  20  28.427  14.022  -1.840
  170   HD21  LEU  20          HD21      LEU  20  25.701  11.412  -2.283
  171   HD22  LEU  20          HD22      LEU  20  25.976  13.079  -1.726
  172   HD23  LEU  20          HD23      LEU  20  26.316  11.710  -0.640
  Start of MODEL   72
    1    H1   TRP   1           HT1      TRP   1  41.167   3.880  14.665
    2    H2   TRP   1           HT2      TRP   1  40.209   5.283  14.709
    3    H3   TRP   1           HT3      TRP   1  41.486   5.085  15.814
    4    HA   TRP   1           HA       TRP   1  42.525   6.423  14.389
    5    HB2  TRP   1           HB2      TRP   1  42.760   3.701  13.046
    6    HB3  TRP   1           HB1      TRP   1  43.855   5.078  12.784
    7    HD1  TRP   1           HD1      TRP   1  43.084   2.281  15.184
    8    HE1  TRP   1           HE1      TRP   1  44.784   2.277  17.153
    9    HE3  TRP   1           HE3      TRP   1  45.362   6.779  14.292
   10    HZ2  TRP   1           HZ2      TRP   1  46.844   4.011  18.174
   11    HZ3  TRP   1           HZ3      TRP   1  47.192   7.584  15.777
   12    HH2  TRP   1           HH2      TRP   1  47.934   6.206  17.714
   13    H    LEU   2           HN       LEU   2  40.037   7.070  13.826
   14    HA   LEU   2           HA       LEU   2  38.708   7.993  12.173
   15    HB2  LEU   2           HB2      LEU   2  40.946   7.446  10.198
   16    HB3  LEU   2           HB1      LEU   2  39.701   8.713  10.132
   17    HG   LEU   2           HG       LEU   2  41.984   8.503  12.147
   18   HD11  LEU   2          HD11      LEU   2  42.651   9.348   9.941
   19   HD12  LEU   2          HD12      LEU   2  42.645  10.679  11.120
   20   HD13  LEU   2          HD13      LEU   2  41.308  10.515   9.958
   21   HD21  LEU   2          HD21      LEU   2  40.150   9.382  13.397
   22   HD22  LEU   2          HD22      LEU   2  39.538  10.315  12.010
   23   HD23  LEU   2          HD23      LEU   2  41.029  10.823  12.840
   24    H    ARG   3           HN       ARG   3  39.816   4.811  12.059
   25    HA   ARG   3           HA       ARG   3  38.878   2.892  11.201
   26    HB2  ARG   3           HB2      ARG   3  36.728   4.156  11.868
   27    HB3  ARG   3           HB1      ARG   3  36.559   4.541  10.141
   28    HG2  ARG   3           HG2      ARG   3  36.562   2.151   9.570
   29    HG3  ARG   3           HG1      ARG   3  36.828   1.721  11.277
   30    HD2  ARG   3           HD2      ARG   3  34.429   1.521  10.623
   31    HD3  ARG   3           HD1      ARG   3  34.676   2.739  11.896
   32    HE   ARG   3           HE       ARG   3  34.775   3.945   9.262
   33   HH11  ARG   3          HH11      ARG   3  33.042   3.543  12.134
   34   HH12  ARG   3          HH12      ARG   3  31.535   4.117  11.500
   35   HH21  ARG   3          HH21      ARG   3  32.679   4.308   8.232
   36   HH22  ARG   3          HH22      ARG   3  31.330   4.549   9.290
   37    H    ARG   4           HN       ARG   4  39.540   5.616   9.214
   38    HA   ARG   4           HA       ARG   4  39.878   3.780   6.862
   39    HB2  ARG   4           HB2      ARG   4  38.650   6.562   6.712
   40    HB3  ARG   4           HB1      ARG   4  38.932   5.442   5.358
   41    HG2  ARG   4           HG2      ARG   4  37.430   3.773   6.542
   42    HG3  ARG   4           HG1      ARG   4  37.028   5.059   7.705
   43    HD2  ARG   4           HD2      ARG   4  36.161   6.474   5.898
   44    HD3  ARG   4           HD1      ARG   4  36.645   5.264   4.685
   45    HE   ARG   4           HE       ARG   4  34.967   3.895   6.465
   46   HH11  ARG   4          HH11      ARG   4  34.499   4.614   3.486
   47   HH12  ARG   4          HH12      ARG   4  32.949   5.380   3.595
   48   HH21  ARG   4          HH21      ARG   4  33.093   5.778   7.037
   49   HH22  ARG   4          HH22      ARG   4  32.153   6.038   5.605
   50    H    ILE   5           HN       ILE   5  41.169   5.973   9.022
   51    HA   ILE   5           HA       ILE   5  43.171   7.132   9.064
   52    HB   ILE   5           HB       ILE   5  43.943   5.653   6.515
   53   HG12  ILE   5          HG12      ILE   5  44.047   4.704   9.414
   54   HG13  ILE   5          HG11      ILE   5  43.015   4.033   8.130
   55   HG21  ILE   5          HG21      ILE   5  45.646   6.461   8.905
   56   HG22  ILE   5          HG22      ILE   5  45.389   7.538   7.511
   57   HG23  ILE   5          HG23      ILE   5  46.189   5.966   7.285
   58   HD11  ILE   5           HD1      ILE   5  46.036   3.890   8.400
   59   HD12  ILE   5           HD2      ILE   5  45.236   3.628   6.830
   60   HD13  ILE   5           HD3      ILE   5  44.874   2.558   8.205
   61    H    GLY   6           HN       GLY   6  42.949   6.755   5.498
   62    HA2  GLY   6           HA1      GLY   6  43.377   9.626   5.161
   63    HA3  GLY   6           HA2      GLY   6  43.133   8.422   3.880
   64    H    LYS   7           HN       LYS   7  41.175   9.568   6.666
   65    HA   LYS   7           HA       LYS   7  38.673   9.266   5.415
   66    HB2  LYS   7           HB2      LYS   7  39.185   9.813   7.862
   67    HB3  LYS   7           HB1      LYS   7  39.361  11.504   7.353
   68    HG2  LYS   7           HG2      LYS   7  37.094  11.469   7.957
   69    HG3  LYS   7           HG1      LYS   7  36.978  11.116   6.220
   70    HD2  LYS   7           HD2      LYS   7  36.786   8.713   6.680
   71    HD3  LYS   7           HD1      LYS   7  37.055   8.993   8.417
   72    HE2  LYS   7           HE2      LYS   7  34.985  10.233   8.610
   73    HE3  LYS   7           HE1      LYS   7  34.754  10.221   6.845
   74    HZ1  LYS   7           HZ1      LYS   7  34.034   8.250   8.751
   75    HZ2  LYS   7           HZ2      LYS   7  35.106   7.580   7.616
   76    HZ3  LYS   7           HZ3      LYS   7  33.667   8.320   7.097
   77    H    GLY   8           HN       GLY   8  40.025  12.529   6.036
   78    HA2  GLY   8           HA1      GLY   8  38.641  13.514   3.607
   79    HA3  GLY   8           HA2      GLY   8  39.443  14.487   4.855
   80    H    VAL   9           HN       VAL   9  39.627  13.338   1.707
   81    HA   VAL   9           HA       VAL   9  42.463  12.961   1.441
   82    HB   VAL   9           HB       VAL   9  40.466  13.915  -0.664
   83   HG11  VAL   9          HG11      VAL   9  42.756  14.293  -1.401
   84   HG12  VAL   9          HG12      VAL   9  42.157  12.826  -2.210
   85   HG13  VAL   9          HG13      VAL   9  43.255  12.689  -0.816
   86   HG21  VAL   9          HG21      VAL   9  41.465  11.104  -0.039
   87   HG22  VAL   9          HG22      VAL   9  40.226  11.566  -1.232
   88   HG23  VAL   9          HG23      VAL   9  39.897  11.748   0.508
   89    H    LYS  10           HN       LYS  10  41.078  15.542  -0.514
   90    HA   LYS  10           HA       LYS  10  42.150  17.743   1.007
   91    HB2  LYS  10           HB2      LYS  10  44.287  16.600   0.263
   92    HB3  LYS  10           HB1      LYS  10  43.806  16.941  -1.415
   93    HG2  LYS  10           HG2      LYS  10  43.723  19.358  -0.914
   94    HG3  LYS  10           HG1      LYS  10  44.175  19.031   0.777
   95    HD2  LYS  10           HD2      LYS  10  46.275  17.910  -0.091
   96    HD3  LYS  10           HD1      LYS  10  45.846  18.505  -1.713
   97    HE2  LYS  10           HE2      LYS  10  47.421  20.054  -0.604
   98    HE3  LYS  10           HE1      LYS  10  45.840  20.834  -0.853
   99    HZ1  LYS  10           HZ1      LYS  10  46.869  21.104   1.416
  100    HZ2  LYS  10           HZ2      LYS  10  46.570  19.452   1.673
  101    HZ3  LYS  10           HZ3      LYS  10  45.277  20.519   1.398
  102    H    ILE  11           HN       ILE  11  40.920  16.277  -1.902
  103    HA   ILE  11           HA       ILE  11  39.762  18.934  -2.722
  104    HB   ILE  11           HB       ILE  11  40.777  16.854  -4.699
  105   HG12  ILE  11          HG12      ILE  11  42.168  19.356  -3.633
  106   HG13  ILE  11          HG11      ILE  11  42.705  17.673  -3.419
  107   HG21  ILE  11          HG21      ILE  11  38.981  18.600  -5.316
  108   HG22  ILE  11          HG22      ILE  11  40.438  18.577  -6.335
  109   HG23  ILE  11          HG23      ILE  11  40.246  19.831  -5.086
  110   HD11  ILE  11           HD1      ILE  11  44.018  18.472  -5.229
  111   HD12  ILE  11           HD2      ILE  11  42.645  19.332  -5.962
  112   HD13  ILE  11           HD3      ILE  11  42.717  17.554  -6.022
  113    H    ILE  12           HN       ILE  12  39.706  15.375  -3.066
  114    HA   ILE  12           HA       ILE  12  36.859  15.465  -3.925
  115    HB   ILE  12           HB       ILE  12  38.779  13.160  -3.421
  116   HG12  ILE  12          HG12      ILE  12  37.817  14.032  -6.176
  117   HG13  ILE  12          HG11      ILE  12  39.156  14.911  -5.404
  118   HG21  ILE  12          HG21      ILE  12  36.679  12.111  -3.276
  119   HG22  ILE  12          HG22      ILE  12  36.932  12.030  -5.031
  120   HG23  ILE  12          HG23      ILE  12  35.889  13.295  -4.343
  121   HD11  ILE  12           HD1      ILE  12  39.188  11.878  -5.620
  122   HD12  ILE  12           HD2      ILE  12  40.547  12.990  -5.345
  123   HD13  ILE  12           HD3      ILE  12  39.769  12.916  -6.942
  124    H    GLY  13           HN       GLY  13  38.074  12.851  -1.901
  125    HA2  GLY  13           HA1      GLY  13  35.906  12.978  -0.060
  126    HA3  GLY  13           HA2      GLY  13  37.470  12.186   0.237
  127    H    GLY  14           HN       GLY  14  38.396  15.008  -0.707
  128    HA2  GLY  14           HA1      GLY  14  38.840  16.078   2.008
  129    HA3  GLY  14           HA2      GLY  14  39.510  16.698   0.482
  130    H    ALA  15           HN       ALA  15  37.310  17.129  -1.105
  131    HA   ALA  15           HA       ALA  15  36.059  19.426   0.359
  132    HB1  ALA  15           HB1      ALA  15  36.928  19.589  -2.034
  133    HB2  ALA  15           HB2      ALA  15  35.255  20.135  -1.775
  134    HB3  ALA  15           HB3      ALA  15  35.566  18.543  -2.506
  135    H    ALA  16           HN       ALA  16  35.602  16.611   1.047
  136    HA   ALA  16           HA       ALA  16  33.797  15.414   1.845
  137    HB1  ALA  16           HB1      ALA  16  31.677  16.381   2.055
  138    HB2  ALA  16           HB2      ALA  16  31.812  17.279   0.524
  139    HB3  ALA  16           HB3      ALA  16  32.726  17.814   1.955
  140    H    LEU  17           HN       LEU  17  35.129  14.600  -0.392
  141    HA   LEU  17           HA       LEU  17  34.864  13.137  -2.176
  142    HB2  LEU  17           HB2      LEU  17  31.898  13.002  -1.519
  143    HB3  LEU  17           HB1      LEU  17  32.867  11.809  -2.400
  144    HG   LEU  17           HG       LEU  17  33.635  12.526   0.455
  145   HD11  LEU  17          HD11      LEU  17  31.221  12.010   0.548
  146   HD12  LEU  17          HD12      LEU  17  32.180  10.696   1.272
  147   HD13  LEU  17          HD13      LEU  17  31.501  10.507  -0.363
  148   HD21  LEU  17          HD21      LEU  17  34.618  10.333   0.451
  149   HD22  LEU  17          HD22      LEU  17  35.046  11.051  -1.119
  150   HD23  LEU  17          HD23      LEU  17  33.733   9.858  -1.016
  151    H    ASP  18           HN       ASP  18  34.622  15.997  -2.517
  152    HA   ASP  18           HA       ASP  18  34.071  17.515  -4.172
  153    HB2  ASP  18           HB2      ASP  18  35.143  15.797  -5.605
  154    HB3  ASP  18           HB1      ASP  18  33.560  15.020  -5.838
  155    H    HIS  19           HN       HIS  19  31.833  14.946  -5.252
  156    HA   HIS  19           HA       HIS  19  29.510  16.524  -4.233
  157    HB2  HIS  19           HB2      HIS  19  28.419  16.504  -6.438
  158    HB3  HIS  19           HB1      HIS  19  29.951  17.409  -6.506
  159    HD1  HIS  19           HD1      HIS  19  32.101  15.489  -6.989
  160    HD2  HIS  19           HD2      HIS  19  28.304  14.958  -8.715
  161    HE1  HIS  19           HE1      HIS  19  32.382  13.908  -8.977
  162    H    LEU  20           HN       LEU  20  30.317  14.223  -3.101
  163    HA   LEU  20           HA       LEU  20  29.647  12.064  -2.606
  164    HB2  LEU  20           HB2      LEU  20  27.428  13.523  -2.625
  165    HB3  LEU  20           HB1      LEU  20  27.030  12.551  -4.058
  166    HG   LEU  20           HG       LEU  20  27.681  11.510  -1.262
  167   HD11  LEU  20          HD11      LEU  20  25.149  11.330  -2.955
  168   HD12  LEU  20          HD12      LEU  20  25.399  12.484  -1.623
  169   HD13  LEU  20          HD13      LEU  20  25.358  10.736  -1.291
  170   HD21  LEU  20          HD21      LEU  20  28.605   9.900  -2.769
  171   HD22  LEU  20          HD22      LEU  20  27.267  10.094  -3.928
  172   HD23  LEU  20          HD23      LEU  20  26.990   9.273  -2.373
  Start of MODEL   73
    1    H1   TRP   1           HT1      TRP   1  53.082   0.146  -0.260
    2    H2   TRP   1           HT2      TRP   1  51.714   0.369   0.722
    3    H3   TRP   1           HT3      TRP   1  53.208   1.038   1.177
    4    HA   TRP   1           HA       TRP   1  52.952   2.135  -1.193
    5    HB2  TRP   1           HB2      TRP   1  50.135   1.867  -0.071
    6    HB3  TRP   1           HB1      TRP   1  50.616   2.844  -1.479
    7    HD1  TRP   1           HD1      TRP   1  49.649  -0.619  -0.466
    8    HE1  TRP   1           HE1      TRP   1  49.797  -2.251  -2.486
    9    HE3  TRP   1           HE3      TRP   1  52.144   2.401  -3.763
   10    HZ2  TRP   1           HZ2      TRP   1  50.862  -2.217  -5.160
   11    HZ3  TRP   1           HZ3      TRP   1  52.717   1.579  -6.042
   12    HH2  TRP   1           HH2      TRP   1  52.079  -0.724  -6.744
   13    H    LEU   2           HN       LEU   2  52.005   4.473  -1.023
   14    HA   LEU   2           HA       LEU   2  53.182   5.616   1.395
   15    HB2  LEU   2           HB2      LEU   2  51.537   7.108  -0.675
   16    HB3  LEU   2           HB1      LEU   2  52.859   7.722   0.345
   17    HG   LEU   2           HG       LEU   2  53.119   5.680  -1.909
   18   HD11  LEU   2          HD11      LEU   2  54.244   8.502  -1.670
   19   HD12  LEU   2          HD12      LEU   2  52.738   8.111  -2.536
   20   HD13  LEU   2          HD13      LEU   2  54.289   7.437  -3.096
   21   HD21  LEU   2          HD21      LEU   2  55.103   6.809   0.111
   22   HD22  LEU   2          HD22      LEU   2  55.627   6.121  -1.444
   23   HD23  LEU   2          HD23      LEU   2  54.767   5.103  -0.268
   24    H    ARG   3           HN       ARG   3  50.083   4.479   0.493
   25    HA   ARG   3           HA       ARG   3  48.119   4.389   1.710
   26    HB2  ARG   3           HB2      ARG   3  49.778   4.487   3.740
   27    HB3  ARG   3           HB1      ARG   3  49.262   6.184   3.879
   28    HG2  ARG   3           HG2      ARG   3  46.862   5.370   3.901
   29    HG3  ARG   3           HG1      ARG   3  47.491   3.707   3.999
   30    HD2  ARG   3           HD2      ARG   3  48.064   5.953   5.984
   31    HD3  ARG   3           HD1      ARG   3  46.967   4.578   6.254
   32    HE   ARG   3           HE       ARG   3  49.428   3.422   5.588
   33   HH11  ARG   3          HH11      ARG   3  49.386   2.268   7.844
   34   HH12  ARG   3          HH12      ARG   3  50.000   3.285   9.105
   35   HH21  ARG   3          HH21      ARG   3  49.718   6.202   7.251
   36   HH22  ARG   3          HH22      ARG   3  50.189   5.512   8.769
   37    H    ARG   4           HN       ARG   4  49.763   7.369   1.011
   38    HA   ARG   4           HA       ARG   4  47.261   8.973   1.251
   39    HB2  ARG   4           HB2      ARG   4  50.027   9.825   0.307
   40    HB3  ARG   4           HB1      ARG   4  48.684  10.877   0.806
   41    HG2  ARG   4           HG2      ARG   4  50.162   8.899   2.596
   42    HG3  ARG   4           HG1      ARG   4  50.343  10.667   2.622
   43    HD2  ARG   4           HD2      ARG   4  47.734  10.676   3.005
   44    HD3  ARG   4           HD1      ARG   4  47.982   8.982   3.500
   45    HE   ARG   4           HE       ARG   4  48.967   9.797   5.479
   46   HH11  ARG   4          HH11      ARG   4  51.209  11.158   5.379
   47   HH12  ARG   4          HH12      ARG   4  50.867  12.855   5.349
   48   HH21  ARG   4          HH21      ARG   4  47.553  12.440   4.414
   49   HH22  ARG   4          HH22      ARG   4  48.797  13.581   4.802
   50    H    ILE   5           HN       ILE   5  49.034   7.081  -0.984
   51    HA   ILE   5           HA       ILE   5  48.873   6.809  -3.280
   52    HB   ILE   5           HB       ILE   5  46.104   8.070  -3.083
   53   HG12  ILE   5          HG12      ILE   5  46.969   5.238  -2.328
   54   HG13  ILE   5          HG11      ILE   5  46.370   6.481  -1.205
   55   HG21  ILE   5          HG21      ILE   5  47.035   5.666  -4.706
   56   HG22  ILE   5          HG22      ILE   5  47.189   7.329  -5.318
   57   HG23  ILE   5          HG23      ILE   5  45.582   6.666  -4.944
   58   HD11  ILE   5           HD1      ILE   5  44.468   5.132  -1.666
   59   HD12  ILE   5           HD2      ILE   5  44.850   5.033  -3.400
   60   HD13  ILE   5           HD3      ILE   5  44.255   6.560  -2.704
   61    H    GLY   6           HN       GLY   6  50.384   8.911  -2.779
   62    HA2  GLY   6           HA1      GLY   6  51.087  10.982  -3.546
   63    HA3  GLY   6           HA2      GLY   6  50.372  10.454  -5.082
   64    H    LYS   7           HN       LYS   7  48.252  10.757  -2.344
   65    HA   LYS   7           HA       LYS   7  47.617  13.557  -2.690
   66    HB2  LYS   7           HB2      LYS   7  46.753  12.381  -4.870
   67    HB3  LYS   7           HB1      LYS   7  45.468  11.737  -3.827
   68    HG2  LYS   7           HG2      LYS   7  44.459  13.727  -4.553
   69    HG3  LYS   7           HG1      LYS   7  45.232  14.286  -3.056
   70    HD2  LYS   7           HD2      LYS   7  45.959  15.941  -4.547
   71    HD3  LYS   7           HD1      LYS   7  47.306  14.789  -4.677
   72    HE2  LYS   7           HE2      LYS   7  46.705  15.356  -6.928
   73    HE3  LYS   7           HE1      LYS   7  46.023  13.736  -6.648
   74    HZ1  LYS   7           HZ1      LYS   7  44.674  16.083  -7.360
   75    HZ2  LYS   7           HZ2      LYS   7  44.161  15.658  -5.797
   76    HZ3  LYS   7           HZ3      LYS   7  44.022  14.544  -7.073
   77    H    GLY   8           HN       GLY   8  44.627  12.699  -2.376
   78    HA2  GLY   8           HA1      GLY   8  44.042  11.127  -0.241
   79    HA3  GLY   8           HA2      GLY   8  44.786  12.520   0.569
   80    H    VAL   9           HN       VAL   9  42.495  12.379   1.508
   81    HA   VAL   9           HA       VAL   9  40.364  13.456  -0.203
   82    HB   VAL   9           HB       VAL   9  39.051  13.539   1.901
   83   HG11  VAL   9          HG11      VAL   9  40.666  10.967   1.607
   84   HG12  VAL   9          HG12      VAL   9  39.270  11.415   0.599
   85   HG13  VAL   9          HG13      VAL   9  39.053  11.121   2.341
   86   HG21  VAL   9          HG21      VAL   9  40.766  14.188   3.489
   87   HG22  VAL   9          HG22      VAL   9  41.725  12.733   3.127
   88   HG23  VAL   9          HG23      VAL   9  40.166  12.584   3.974
   89    H    LYS  10           HN       LYS  10  42.872  15.019   0.081
   90    HA   LYS  10           HA       LYS  10  42.210  17.312   1.774
   91    HB2  LYS  10           HB2      LYS  10  44.542  16.709   1.379
   92    HB3  LYS  10           HB1      LYS  10  44.322  16.862  -0.376
   93    HG2  LYS  10           HG2      LYS  10  45.459  18.845   0.634
   94    HG3  LYS  10           HG1      LYS  10  43.932  19.276  -0.162
   95    HD2  LYS  10           HD2      LYS  10  42.795  19.572   1.907
   96    HD3  LYS  10           HD1      LYS  10  44.013  18.645   2.814
   97    HE2  LYS  10           HE2      LYS  10  44.480  21.350   1.481
   98    HE3  LYS  10           HE1      LYS  10  44.227  21.088   3.224
   99    HZ1  LYS  10           HZ1      LYS  10  46.426  20.839   3.314
  100    HZ2  LYS  10           HZ2      LYS  10  46.584  20.678   1.629
  101    HZ3  LYS  10           HZ3      LYS  10  46.199  19.326   2.582
  102    H    ILE  11           HN       ILE  11  41.380  16.224  -1.380
  103    HA   ILE  11           HA       ILE  11  40.116  18.889  -1.971
  104    HB   ILE  11           HB       ILE  11  41.499  17.198  -4.085
  105   HG12  ILE  11          HG12      ILE  11  42.553  19.616  -2.545
  106   HG13  ILE  11          HG11      ILE  11  43.215  17.965  -2.507
  107   HG21  ILE  11          HG21      ILE  11  40.748  20.154  -4.125
  108   HG22  ILE  11          HG22      ILE  11  39.627  18.879  -4.658
  109   HG23  ILE  11          HG23      ILE  11  41.174  19.112  -5.502
  110   HD11  ILE  11           HD1      ILE  11  44.621  19.114  -4.036
  111   HD12  ILE  11           HD2      ILE  11  43.254  19.970  -4.788
  112   HD13  ILE  11           HD3      ILE  11  43.490  18.229  -5.085
  113    H    ILE  12           HN       ILE  12  40.352  15.397  -2.555
  114    HA   ILE  12           HA       ILE  12  37.863  15.265  -4.073
  115    HB   ILE  12           HB       ILE  12  39.448  13.149  -2.582
  116   HG12  ILE  12          HG12      ILE  12  39.452  13.831  -5.562
  117   HG13  ILE  12          HG11      ILE  12  40.671  14.417  -4.409
  118   HG21  ILE  12          HG21      ILE  12  37.222  12.959  -4.664
  119   HG22  ILE  12          HG22      ILE  12  37.209  12.316  -3.007
  120   HG23  ILE  12          HG23      ILE  12  38.264  11.587  -4.231
  121   HD11  ILE  12           HD1      ILE  12  40.235  11.619  -5.473
  122   HD12  ILE  12           HD2      ILE  12  40.900  11.801  -3.832
  123   HD13  ILE  12           HD3      ILE  12  41.752  12.509  -5.222
  124    H    GLY  13           HN       GLY  13  38.449  13.226  -1.232
  125    HA2  GLY  13           HA1      GLY  13  35.766  13.542  -0.246
  126    HA3  GLY  13           HA2      GLY  13  37.149  12.881   0.655
  127    H    GLY  14           HN       GLY  14  38.315  15.542  -0.599
  128    HA2  GLY  14           HA1      GLY  14  38.034  17.120   1.889
  129    HA3  GLY  14           HA2      GLY  14  39.071  17.486   0.491
  130    H    ALA  15           HN       ALA  15  37.218  17.365  -1.604
  131    HA   ALA  15           HA       ALA  15  35.714  19.897  -1.055
  132    HB1  ALA  15           HB1      ALA  15  37.012  19.666  -3.169
  133    HB2  ALA  15           HB2      ALA  15  35.274  19.891  -3.464
  134    HB3  ALA  15           HB3      ALA  15  35.997  18.274  -3.618
  135    H    ALA  16           HN       ALA  16  35.125  17.316   0.200
  136    HA   ALA  16           HA       ALA  16  33.196  16.246   0.879
  137    HB1  ALA  16           HB1      ALA  16  31.076  17.119   0.407
  138    HB2  ALA  16           HB2      ALA  16  31.530  17.628  -1.237
  139    HB3  ALA  16           HB3      ALA  16  32.118  18.542   0.173
  140    H    LEU  17           HN       LEU  17  35.051  15.190  -1.009
  141    HA   LEU  17           HA       LEU  17  35.171  13.409  -2.507
  142    HB2  LEU  17           HB2      LEU  17  33.456  12.526  -0.750
  143    HB3  LEU  17           HB1      LEU  17  32.231  12.857  -1.993
  144    HG   LEU  17           HG       LEU  17  33.924  11.472  -3.562
  145   HD11  LEU  17          HD11      LEU  17  35.167   9.763  -2.420
  146   HD12  LEU  17          HD12      LEU  17  34.434  10.174  -0.851
  147   HD13  LEU  17          HD13      LEU  17  35.591  11.289  -1.612
  148   HD21  LEU  17          HD21      LEU  17  32.082  10.188  -1.492
  149   HD22  LEU  17          HD22      LEU  17  32.675   9.394  -2.970
  150   HD23  LEU  17          HD23      LEU  17  31.600  10.808  -3.088
  151    H    ASP  18           HN       ASP  18  34.669  15.954  -3.568
  152    HA   ASP  18           HA       ASP  18  34.077  16.931  -5.577
  153    HB2  ASP  18           HB2      ASP  18  33.361  14.166  -6.607
  154    HB3  ASP  18           HB1      ASP  18  33.959  15.572  -7.523
  155    H    HIS  19           HN       HIS  19  31.938  15.460  -3.551
  156    HA   HIS  19           HA       HIS  19  29.708  16.985  -4.572
  157    HB2  HIS  19           HB2      HIS  19  29.783  15.001  -6.186
  158    HB3  HIS  19           HB1      HIS  19  29.367  13.970  -4.798
  159    HD1  HIS  19           HD1      HIS  19  27.836  15.879  -7.461
  160    HD2  HIS  19           HD2      HIS  19  26.872  15.165  -3.433
  161    HE1  HIS  19           HE1      HIS  19  25.344  16.366  -7.178
  162    H    LEU  20           HN       LEU  20  30.077  13.792  -2.948
  163    HA   LEU  20           HA       LEU  20  29.590  14.934  -0.324
  164    HB2  LEU  20           HB2      LEU  20  27.304  15.141  -1.062
  165    HB3  LEU  20           HB1      LEU  20  27.316  13.507  -1.758
  166    HG   LEU  20           HG       LEU  20  27.426  12.488   0.440
  167   HD11  LEU  20          HD11      LEU  20  28.911  13.890   1.673
  168   HD12  LEU  20          HD12      LEU  20  27.345  14.072   2.494
  169   HD13  LEU  20          HD13      LEU  20  27.920  15.340   1.383
  170   HD21  LEU  20          HD21      LEU  20  25.454  14.818   0.446
  171   HD22  LEU  20          HD22      LEU  20  25.329  13.354   1.451
  172   HD23  LEU  20          HD23      LEU  20  25.192  13.233  -0.320
  Start of MODEL   74
    1    H1   TRP   1           HT1      TRP   1  34.131   3.493   5.972
    2    H2   TRP   1           HT2      TRP   1  35.484   4.342   6.553
    3    H3   TRP   1           HT3      TRP   1  35.435   2.645   6.646
    4    HA   TRP   1           HA       TRP   1  35.333   2.566   4.206
    5    HB2  TRP   1           HB2      TRP   1  36.118   5.493   4.474
    6    HB3  TRP   1           HB1      TRP   1  35.924   4.568   2.966
    7    HD1  TRP   1           HD1      TRP   1  33.435   3.849   2.278
    8    HE1  TRP   1           HE1      TRP   1  31.108   4.860   2.852
    9    HE3  TRP   1           HE3      TRP   1  34.769   6.707   6.312
   10    HZ2  TRP   1           HZ2      TRP   1  30.010   6.665   4.809
   11    HZ3  TRP   1           HZ3      TRP   1  33.066   8.066   7.516
   12    HH2  TRP   1           HH2      TRP   1  30.690   8.048   6.770
   13    H    LEU   2           HN       LEU   2  37.487   3.218   2.872
   14    HA   LEU   2           HA       LEU   2  39.626   1.940   4.330
   15    HB2  LEU   2           HB2      LEU   2  39.919   3.603   1.806
   16    HB3  LEU   2           HB1      LEU   2  40.911   2.224   2.336
   17    HG   LEU   2           HG       LEU   2  37.984   2.136   1.483
   18   HD11  LEU   2          HD11      LEU   2  40.504   0.926   0.262
   19   HD12  LEU   2          HD12      LEU   2  39.647   2.359  -0.356
   20   HD13  LEU   2          HD13      LEU   2  38.850   0.767  -0.375
   21   HD21  LEU   2          HD21      LEU   2  38.179   0.485   3.192
   22   HD22  LEU   2          HD22      LEU   2  39.834   0.046   2.703
   23   HD23  LEU   2          HD23      LEU   2  38.449  -0.418   1.686
   24    H    ARG   3           HN       ARG   3  38.388   5.030   4.509
   25    HA   ARG   3           HA       ARG   3  39.117   6.899   5.652
   26    HB2  ARG   3           HB2      ARG   3  40.320   5.072   7.087
   27    HB3  ARG   3           HB1      ARG   3  41.793   5.584   6.234
   28    HG2  ARG   3           HG2      ARG   3  41.336   7.947   6.943
   29    HG3  ARG   3           HG1      ARG   3  39.944   7.362   7.884
   30    HD2  ARG   3           HD2      ARG   3  42.843   6.488   8.263
   31    HD3  ARG   3           HD1      ARG   3  41.944   7.601   9.323
   32    HE   ARG   3           HE       ARG   3  40.457   5.175   9.113
   33   HH11  ARG   3          HH11      ARG   3  41.138   3.280  10.281
   34   HH12  ARG   3          HH12      ARG   3  42.245   3.505  11.594
   35   HH21  ARG   3          HH21      ARG   3  42.879   6.829  10.836
   36   HH22  ARG   3          HH22      ARG   3  43.231   5.515  11.908
   37    H    ARG   4           HN       ARG   4  42.187   5.579   4.302
   38    HA   ARG   4           HA       ARG   4  43.277   8.005   3.473
   39    HB2  ARG   4           HB2      ARG   4  44.499   5.877   3.380
   40    HB3  ARG   4           HB1      ARG   4  43.435   5.298   2.083
   41    HG2  ARG   4           HG2      ARG   4  45.625   6.131   1.217
   42    HG3  ARG   4           HG1      ARG   4  44.253   7.053   0.568
   43    HD2  ARG   4           HD2      ARG   4  46.359   8.352   1.472
   44    HD3  ARG   4           HD1      ARG   4  44.737   8.949   1.892
   45    HE   ARG   4           HE       ARG   4  45.802   7.058   3.855
   46   HH11  ARG   4          HH11      ARG   4  45.686  10.318   2.735
   47   HH12  ARG   4          HH12      ARG   4  46.085  11.000   4.276
   48   HH21  ARG   4          HH21      ARG   4  46.337   7.932   5.870
   49   HH22  ARG   4          HH22      ARG   4  46.452   9.651   6.050
   50    H    ILE   5           HN       ILE   5  40.541   6.318   2.178
   51    HA   ILE   5           HA       ILE   5  40.169   8.488   0.167
   52    HB   ILE   5           HB       ILE   5  39.849   5.565  -0.645
   53   HG12  ILE   5          HG12      ILE   5  42.200   7.465  -1.088
   54   HG13  ILE   5          HG11      ILE   5  42.226   5.923  -0.201
   55   HG21  ILE   5          HG21      ILE   5  40.157   8.060  -2.366
   56   HG22  ILE   5          HG22      ILE   5  38.571   7.482  -1.803
   57   HG23  ILE   5          HG23      ILE   5  39.570   6.453  -2.855
   58   HD11  ILE   5           HD1      ILE   5  41.908   6.380  -3.186
   59   HD12  ILE   5           HD2      ILE   5  41.410   4.848  -2.426
   60   HD13  ILE   5           HD3      ILE   5  43.107   5.376  -2.338
   61    H    GLY   6           HN       GLY   6  38.752   8.693   2.279
   62    HA2  GLY   6           HA1      GLY   6  36.056   8.187   1.446
   63    HA3  GLY   6           HA2      GLY   6  36.522   7.008   2.687
   64    H    LYS   7           HN       LYS   7  38.230   8.595   4.248
   65    HA   LYS   7           HA       LYS   7  36.257  10.000   5.838
   66    HB2  LYS   7           HB2      LYS   7  38.284   8.838   6.756
   67    HB3  LYS   7           HB1      LYS   7  39.291  10.117   6.037
   68    HG2  LYS   7           HG2      LYS   7  38.138  11.826   7.368
   69    HG3  LYS   7           HG1      LYS   7  37.036  10.596   8.035
   70    HD2  LYS   7           HD2      LYS   7  38.908   9.442   9.112
   71    HD3  LYS   7           HD1      LYS   7  40.068  10.568   8.366
   72    HE2  LYS   7           HE2      LYS   7  37.821  11.437  10.232
   73    HE3  LYS   7           HE1      LYS   7  39.489  11.124  10.766
   74    HZ1  LYS   7           HZ1      LYS   7  39.830  12.752   8.632
   75    HZ2  LYS   7           HZ2      LYS   7  39.816  13.260  10.253
   76    HZ3  LYS   7           HZ3      LYS   7  38.406  13.372   9.313
   77    H    GLY   8           HN       GLY   8  39.248  11.167   4.214
   78    HA2  GLY   8           HA1      GLY   8  38.055  13.368   2.913
   79    HA3  GLY   8           HA2      GLY   8  38.555  13.935   4.518
   80    H    VAL   9           HN       VAL   9  39.516  13.201   1.314
   81    HA   VAL   9           HA       VAL   9  42.350  12.832   1.848
   82    HB   VAL   9           HB       VAL   9  40.926  13.697  -0.710
   83   HG11  VAL   9          HG11      VAL   9  43.766  12.772  -0.107
   84   HG12  VAL   9          HG12      VAL   9  43.257  14.297  -0.871
   85   HG13  VAL   9          HG13      VAL   9  43.068  12.759  -1.745
   86   HG21  VAL   9          HG21      VAL   9  41.133  11.326  -1.332
   87   HG22  VAL   9          HG22      VAL   9  40.228  11.473   0.193
   88   HG23  VAL   9          HG23      VAL   9  41.935  10.970   0.216
   89    H    LYS  10           HN       LYS  10  41.107  15.426  -0.253
   90    HA   LYS  10           HA       LYS  10  41.903  17.587   1.486
   91    HB2  LYS  10           HB2      LYS  10  44.165  16.656   0.930
   92    HB3  LYS  10           HB1      LYS  10  43.828  16.973  -0.789
   93    HG2  LYS  10           HG2      LYS  10  43.574  19.364  -0.345
   94    HG3  LYS  10           HG1      LYS  10  43.766  19.091   1.404
   95    HD2  LYS  10           HD2      LYS  10  46.055  18.209   1.011
   96    HD3  LYS  10           HD1      LYS  10  45.865  18.512  -0.734
   97    HE2  LYS  10           HE2      LYS  10  45.738  20.622   1.466
   98    HE3  LYS  10           HE1      LYS  10  47.095  20.366   0.345
   99    HZ1  LYS  10           HZ1      LYS  10  44.312  21.080  -0.441
  100    HZ2  LYS  10           HZ2      LYS  10  45.620  20.856  -1.501
  101    HZ3  LYS  10           HZ3      LYS  10  45.629  22.149  -0.399
  102    H    ILE  11           HN       ILE  11  41.206  16.289  -1.708
  103    HA   ILE  11           HA       ILE  11  39.858  18.891  -2.412
  104    HB   ILE  11           HB       ILE  11  41.304  17.086  -4.394
  105   HG12  ILE  11          HG12      ILE  11  42.824  18.361  -2.703
  106   HG13  ILE  11          HG11      ILE  11  43.161  18.560  -4.430
  107   HG21  ILE  11          HG21      ILE  11  39.938  19.795  -4.596
  108   HG22  ILE  11          HG22      ILE  11  39.517  18.286  -5.441
  109   HG23  ILE  11          HG23      ILE  11  41.015  19.151  -5.857
  110   HD11  ILE  11           HD1      ILE  11  43.188  20.707  -3.055
  111   HD12  ILE  11           HD2      ILE  11  41.435  20.515  -2.849
  112   HD13  ILE  11           HD3      ILE  11  42.120  20.734  -4.475
  113    H    ILE  12           HN       ILE  12  40.220  15.426  -3.268
  114    HA   ILE  12           HA       ILE  12  37.533  15.322  -4.419
  115    HB   ILE  12           HB       ILE  12  39.404  13.109  -3.513
  116   HG12  ILE  12          HG12      ILE  12  40.556  14.479  -5.142
  117   HG13  ILE  12          HG11      ILE  12  40.055  12.983  -5.953
  118   HG21  ILE  12          HG21      ILE  12  36.791  13.136  -5.050
  119   HG22  ILE  12          HG22      ILE  12  37.380  11.979  -3.838
  120   HG23  ILE  12          HG23      ILE  12  38.015  11.922  -5.497
  121   HD11  ILE  12           HD1      ILE  12  38.925  15.783  -6.248
  122   HD12  ILE  12           HD2      ILE  12  37.925  14.368  -6.652
  123   HD13  ILE  12           HD3      ILE  12  39.453  14.651  -7.511
  124    H    GLY  13           HN       GLY  13  38.434  12.748  -2.199
  125    HA2  GLY  13           HA1      GLY  13  35.970  12.723  -0.821
  126    HA3  GLY  13           HA2      GLY  13  37.501  12.084  -0.182
  127    H    GLY  14           HN       GLY  14  38.427  14.921  -0.925
  128    HA2  GLY  14           HA1      GLY  14  38.211  16.041   1.777
  129    HA3  GLY  14           HA2      GLY  14  39.093  16.730   0.396
  130    H    ALA  15           HN       ALA  15  37.176  16.968  -1.575
  131    HA   ALA  15           HA       ALA  15  35.499  19.147  -0.393
  132    HB1  ALA  15           HB1      ALA  15  36.666  19.449  -2.594
  133    HB2  ALA  15           HB2      ALA  15  34.905  19.672  -2.682
  134    HB3  ALA  15           HB3      ALA  15  35.637  18.162  -3.269
  135    H    ALA  16           HN       ALA  16  35.167  16.327   0.319
  136    HA   ALA  16           HA       ALA  16  33.349  15.019   0.883
  137    HB1  ALA  16           HB1      ALA  16  31.154  15.790   0.664
  138    HB2  ALA  16           HB2      ALA  16  31.475  16.605  -0.884
  139    HB3  ALA  16           HB3      ALA  16  32.075  17.311   0.634
  140    H    LEU  17           HN       LEU  17  35.169  14.464  -1.262
  141    HA   LEU  17           HA       LEU  17  35.312  13.046  -3.106
  142    HB2  LEU  17           HB2      LEU  17  33.769  11.773  -1.279
  143    HB3  LEU  17           HB1      LEU  17  32.573  11.887  -2.585
  144    HG   LEU  17           HG       LEU  17  35.380  10.709  -2.888
  145   HD11  LEU  17          HD11      LEU  17  34.022   9.292  -1.438
  146   HD12  LEU  17          HD12      LEU  17  34.125   8.536  -3.047
  147   HD13  LEU  17          HD13      LEU  17  32.646   9.401  -2.561
  148   HD21  LEU  17          HD21      LEU  17  32.944  10.798  -4.728
  149   HD22  LEU  17          HD22      LEU  17  34.404   9.829  -5.034
  150   HD23  LEU  17          HD23      LEU  17  34.508  11.604  -4.998
  151    H    ASP  18           HN       ASP  18  34.479  15.594  -3.719
  152    HA   ASP  18           HA       ASP  18  33.413  16.818  -5.376
  153    HB2  ASP  18           HB2      ASP  18  33.114  14.139  -6.786
  154    HB3  ASP  18           HB1      ASP  18  33.161  15.755  -7.531
  155    H    HIS  19           HN       HIS  19  31.812  15.736  -3.193
  156    HA   HIS  19           HA       HIS  19  29.579  15.576  -2.600
  157    HB2  HIS  19           HB2      HIS  19  28.948  16.728  -5.339
  158    HB3  HIS  19           HB1      HIS  19  27.989  16.859  -3.846
  159    HD1  HIS  19           HD1      HIS  19  30.300  18.753  -5.843
  160    HD2  HIS  19           HD2      HIS  19  29.644  18.290  -1.715
  161    HE1  HIS  19           HE1      HIS  19  31.435  20.716  -4.666
  162    H    LEU  20           HN       LEU  20  30.693  13.236  -3.546
  163    HA   LEU  20           HA       LEU  20  28.303  11.798  -4.324
  164    HB2  LEU  20           HB2      LEU  20  29.317  12.917  -6.511
  165    HB3  LEU  20           HB1      LEU  20  30.488  11.586  -6.416
  166    HG   LEU  20           HG       LEU  20  27.449  11.343  -6.572
  167   HD11  LEU  20          HD11      LEU  20  29.693  10.514  -8.467
  168   HD12  LEU  20          HD12      LEU  20  28.583  11.885  -8.704
  169   HD13  LEU  20          HD13      LEU  20  27.958  10.218  -8.724
  170   HD21  LEU  20          HD21      LEU  20  28.155   9.550  -5.154
  171   HD22  LEU  20          HD22      LEU  20  29.642   9.281  -6.097
  172   HD23  LEU  20          HD23      LEU  20  28.060   8.834  -6.778
  Start of MODEL   75
    1    H1   TRP   1           HT1      TRP   1  40.638  -0.892   1.217
    2    H2   TRP   1           HT2      TRP   1  40.138   0.506   0.393
    3    H3   TRP   1           HT3      TRP   1  38.988  -0.527   1.098
    4    HA   TRP   1           HA       TRP   1  40.641   0.096   3.150
    5    HB2  TRP   1           HB2      TRP   1  39.982   2.603   1.553
    6    HB3  TRP   1           HB1      TRP   1  40.822   2.518   3.121
    7    HD1  TRP   1           HD1      TRP   1  42.995   0.510   2.841
    8    HE1  TRP   1           HE1      TRP   1  44.924   0.662   1.102
    9    HE3  TRP   1           HE3      TRP   1  40.764   3.609  -0.567
   10    HZ2  TRP   1           HZ2      TRP   1  45.399   1.965  -1.422
   11    HZ3  TRP   1           HZ3      TRP   1  41.973   4.293  -2.635
   12    HH2  TRP   1           HH2      TRP   1  44.286   3.476  -3.064
   13    H    LEU   2           HN       LEU   2  39.443   0.984   4.900
   14    HA   LEU   2           HA       LEU   2  36.590   0.458   4.677
   15    HB2  LEU   2           HB2      LEU   2  37.999   1.838   6.981
   16    HB3  LEU   2           HB1      LEU   2  36.508   0.867   7.022
   17    HG   LEU   2           HG       LEU   2  39.326  -0.140   6.434
   18   HD11  LEU   2          HD11      LEU   2  37.380  -0.809   8.685
   19   HD12  LEU   2          HD12      LEU   2  38.721   0.351   8.832
   20   HD13  LEU   2          HD13      LEU   2  39.061  -1.369   8.524
   21   HD21  LEU   2          HD21      LEU   2  36.593  -1.475   6.252
   22   HD22  LEU   2          HD22      LEU   2  38.077  -2.421   6.526
   23   HD23  LEU   2          HD23      LEU   2  37.900  -1.457   5.044
   24    H    ARG   3           HN       ARG   3  38.486   3.077   3.834
   25    HA   ARG   3           HA       ARG   3  37.902   5.187   3.100
   26    HB2  ARG   3           HB2      ARG   3  35.654   3.975   2.503
   27    HB3  ARG   3           HB1      ARG   3  35.017   4.778   3.953
   28    HG2  ARG   3           HG2      ARG   3  34.516   6.387   2.330
   29    HG3  ARG   3           HG1      ARG   3  36.108   6.960   2.871
   30    HD2  ARG   3           HD2      ARG   3  35.941   6.924   0.393
   31    HD3  ARG   3           HD1      ARG   3  37.182   5.788   0.964
   32    HE   ARG   3           HE       ARG   3  34.857   4.256   0.774
   33   HH11  ARG   3          HH11      ARG   3  34.475   3.024  -1.088
   34   HH12  ARG   3          HH12      ARG   3  35.047   3.597  -2.618
   35   HH21  ARG   3          HH21      ARG   3  36.562   6.421  -1.295
   36   HH22  ARG   3          HH22      ARG   3  36.228   5.521  -2.736
   37    H    ARG   4           HN       ARG   4  36.544   4.086   6.185
   38    HA   ARG   4           HA       ARG   4  36.352   6.745   7.324
   39    HB2  ARG   4           HB2      ARG   4  36.617   4.056   8.731
   40    HB3  ARG   4           HB1      ARG   4  36.021   5.575   9.442
   41    HG2  ARG   4           HG2      ARG   4  34.172   5.597   7.750
   42    HG3  ARG   4           HG1      ARG   4  34.736   4.016   7.158
   43    HD2  ARG   4           HD2      ARG   4  33.747   4.658   9.971
   44    HD3  ARG   4           HD1      ARG   4  32.912   3.666   8.751
   45    HE   ARG   4           HE       ARG   4  35.517   2.568   9.221
   46   HH11  ARG   4          HH11      ARG   4  32.702   1.261   9.293
   47   HH12  ARG   4          HH12      ARG   4  32.698   0.639  10.910
   48   HH21  ARG   4          HH21      ARG   4  35.415   2.534  11.932
   49   HH22  ARG   4          HH22      ARG   4  34.232   1.360  12.403
   50    H    ILE   5           HN       ILE   5  38.834   4.250   7.043
   51    HA   ILE   5           HA       ILE   5  40.631   5.528   8.977
   52    HB   ILE   5           HB       ILE   5  42.345   3.952   8.018
   53   HG12  ILE   5          HG12      ILE   5  40.004   3.039   6.278
   54   HG13  ILE   5          HG11      ILE   5  41.417   3.940   5.686
   55   HG21  ILE   5          HG21      ILE   5  39.715   2.519   8.583
   56   HG22  ILE   5          HG22      ILE   5  40.645   3.349   9.853
   57   HG23  ILE   5          HG23      ILE   5  41.365   1.981   8.977
   58   HD11  ILE   5           HD1      ILE   5  41.949   1.675   5.227
   59   HD12  ILE   5           HD2      ILE   5  41.307   1.113   6.788
   60   HD13  ILE   5           HD3      ILE   5  42.836   2.024   6.729
   61    H    GLY   6           HN       GLY   6  39.995   5.728   5.524
   62    HA2  GLY   6           HA1      GLY   6  42.474   7.105   4.879
   63    HA3  GLY   6           HA2      GLY   6  41.032   6.966   3.852
   64    H    LYS   7           HN       LYS   7  39.261   8.063   5.959
   65    HA   LYS   7           HA       LYS   7  38.373  10.159   6.417
   66    HB2  LYS   7           HB2      LYS   7  41.294  10.882   6.876
   67    HB3  LYS   7           HB1      LYS   7  39.875  11.746   7.517
   68    HG2  LYS   7           HG2      LYS   7  39.199   9.494   8.599
   69    HG3  LYS   7           HG1      LYS   7  40.849   8.947   8.213
   70    HD2  LYS   7           HD2      LYS   7  40.091  11.353   9.929
   71    HD3  LYS   7           HD1      LYS   7  40.792   9.822  10.503
   72    HE2  LYS   7           HE2      LYS   7  42.758  10.326   8.885
   73    HE3  LYS   7           HE1      LYS   7  42.098  11.978   8.807
   74    HZ1  LYS   7           HZ1      LYS   7  42.387  12.250  11.116
   75    HZ2  LYS   7           HZ2      LYS   7  43.835  11.559  10.558
   76    HZ3  LYS   7           HZ3      LYS   7  42.691  10.602  11.371
   77    H    GLY   8           HN       GLY   8  38.680  12.645   5.948
   78    HA2  GLY   8           HA1      GLY   8  38.397  13.007   3.174
   79    HA3  GLY   8           HA2      GLY   8  38.756  14.299   4.335
   80    H    VAL   9           HN       VAL   9  39.681  13.511   1.491
   81    HA   VAL   9           HA       VAL   9  42.547  13.026   1.818
   82    HB   VAL   9           HB       VAL   9  40.960  13.970  -0.614
   83   HG11  VAL   9          HG11      VAL   9  43.005  13.032  -1.820
   84   HG12  VAL   9          HG12      VAL   9  43.817  12.982  -0.237
   85   HG13  VAL   9          HG13      VAL   9  43.289  14.539  -0.917
   86   HG21  VAL   9          HG21      VAL   9  40.238  11.763   0.189
   87   HG22  VAL   9          HG22      VAL   9  41.932  11.220   0.280
   88   HG23  VAL   9          HG23      VAL   9  41.195  11.577  -1.300
   89    H    LYS  10           HN       LYS  10  41.300  15.664  -0.203
   90    HA   LYS  10           HA       LYS  10  42.143  17.799   1.539
   91    HB2  LYS  10           HB2      LYS  10  44.390  16.900   1.029
   92    HB3  LYS  10           HB1      LYS  10  44.068  17.078  -0.707
   93    HG2  LYS  10           HG2      LYS  10  43.845  19.502  -0.469
   94    HG3  LYS  10           HG1      LYS  10  43.998  19.372   1.299
   95    HD2  LYS  10           HD2      LYS  10  46.281  18.322   0.928
   96    HD3  LYS  10           HD1      LYS  10  46.118  18.741  -0.793
   97    HE2  LYS  10           HE2      LYS  10  45.788  21.136  -0.146
   98    HE3  LYS  10           HE1      LYS  10  46.063  20.687   1.554
   99    HZ1  LYS  10           HZ1      LYS  10  47.962  21.142  -0.511
  100    HZ2  LYS  10           HZ2      LYS  10  48.150  19.577   0.125
  101    HZ3  LYS  10           HZ3      LYS  10  48.217  20.929   1.152
  102    H    ILE  11           HN       ILE  11  41.267  16.503  -1.593
  103    HA   ILE  11           HA       ILE  11  40.030  19.164  -2.283
  104    HB   ILE  11           HB       ILE  11  41.201  17.301  -4.394
  105   HG12  ILE  11          HG12      ILE  11  42.962  19.392  -4.431
  106   HG13  ILE  11          HG11      ILE  11  42.585  19.394  -2.694
  107   HG21  ILE  11          HG21      ILE  11  40.999  19.321  -5.799
  108   HG22  ILE  11          HG22      ILE  11  40.407  20.248  -4.400
  109   HG23  ILE  11          HG23      ILE  11  39.435  18.910  -5.059
  110   HD11  ILE  11           HD1      ILE  11  43.822  17.186  -4.372
  111   HD12  ILE  11           HD2      ILE  11  43.048  16.822  -2.813
  112   HD13  ILE  11           HD3      ILE  11  44.441  17.930  -2.880
  113    H    ILE  12           HN       ILE  12  40.164  15.656  -3.003
  114    HA   ILE  12           HA       ILE  12  37.401  15.691  -4.040
  115    HB   ILE  12           HB       ILE  12  39.308  13.412  -3.408
  116   HG12  ILE  12          HG12      ILE  12  38.632  14.625  -6.133
  117   HG13  ILE  12          HG11      ILE  12  40.041  15.127  -5.174
  118   HG21  ILE  12          HG21      ILE  12  37.739  12.253  -5.192
  119   HG22  ILE  12          HG22      ILE  12  36.590  13.542  -4.773
  120   HG23  ILE  12          HG23      ILE  12  37.160  12.412  -3.524
  121   HD11  ILE  12           HD1      ILE  12  41.029  13.492  -6.517
  122   HD12  ILE  12           HD2      ILE  12  39.548  12.520  -6.624
  123   HD13  ILE  12           HD3      ILE  12  40.534  12.479  -5.144
  124    H    GLY  13           HN       GLY  13  38.494  13.056  -1.962
  125    HA2  GLY  13           HA1      GLY  13  36.128  13.047  -0.373
  126    HA3  GLY  13           HA2      GLY  13  37.680  12.301   0.075
  127    H    GLY  14           HN       GLY  14  38.609  15.162  -0.691
  128    HA2  GLY  14           HA1      GLY  14  38.757  16.173   2.069
  129    HA3  GLY  14           HA2      GLY  14  39.519  16.876   0.623
  130    H    ALA  15           HN       ALA  15  37.417  17.248  -1.124
  131    HA   ALA  15           HA       ALA  15  35.946  19.438   0.302
  132    HB1  ALA  15           HB1      ALA  15  35.758  18.592  -2.614
  133    HB2  ALA  15           HB2      ALA  15  36.947  19.768  -1.995
  134    HB3  ALA  15           HB3      ALA  15  35.206  20.118  -1.888
  135    H    ALA  16           HN       ALA  16  35.571  16.633   0.956
  136    HA   ALA  16           HA       ALA  16  33.789  15.302   1.562
  137    HB1  ALA  16           HB1      ALA  16  31.607  16.158   1.632
  138    HB2  ALA  16           HB2      ALA  16  31.827  17.134   0.161
  139    HB3  ALA  16           HB3      ALA  16  32.598  17.633   1.684
  140    H    LEU  17           HN       LEU  17  35.329  14.739  -0.688
  141    HA   LEU  17           HA       LEU  17  35.238  13.338  -2.538
  142    HB2  LEU  17           HB2      LEU  17  33.443  12.208  -0.981
  143    HB3  LEU  17           HB1      LEU  17  32.267  12.896  -2.122
  144    HG   LEU  17           HG       LEU  17  33.870  11.787  -3.964
  145   HD11  LEU  17          HD11      LEU  17  35.608  11.035  -2.376
  146   HD12  LEU  17          HD12      LEU  17  34.824   9.637  -3.143
  147   HD13  LEU  17          HD13      LEU  17  34.397  10.094  -1.477
  148   HD21  LEU  17          HD21      LEU  17  31.545  11.136  -3.707
  149   HD22  LEU  17          HD22      LEU  17  31.905  10.265  -2.196
  150   HD23  LEU  17          HD23      LEU  17  32.523   9.651  -3.748
  151    H    ASP  18           HN       ASP  18  34.400  16.260  -2.538
  152    HA   ASP  18           HA       ASP  18  33.684  17.815  -4.095
  153    HB2  ASP  18           HB2      ASP  18  35.359  16.669  -5.499
  154    HB3  ASP  18           HB1      ASP  18  34.119  15.514  -6.041
  155    H    HIS  19           HN       HIS  19  32.379  14.998  -5.856
  156    HA   HIS  19           HA       HIS  19  29.916  16.150  -6.493
  157    HB2  HIS  19           HB2      HIS  19  30.822  13.974  -7.366
  158    HB3  HIS  19           HB1      HIS  19  30.347  13.212  -5.829
  159    HD1  HIS  19           HD1      HIS  19  28.265  11.902  -6.268
  160    HD2  HIS  19           HD2      HIS  19  28.162  15.699  -8.071
  161    HE1  HIS  19           HE1      HIS  19  25.969  12.166  -7.358
  162    H    LEU  20           HN       LEU  20  30.951  14.695  -3.455
  163    HA   LEU  20           HA       LEU  20  29.869  14.501  -1.417
  164    HB2  LEU  20           HB2      LEU  20  29.670  17.056  -2.056
  165    HB3  LEU  20           HB1      LEU  20  27.946  16.689  -2.270
  166    HG   LEU  20           HG       LEU  20  29.569  16.149   0.262
  167   HD11  LEU  20          HD11      LEU  20  28.287  18.014   1.219
  168   HD12  LEU  20          HD12      LEU  20  27.426  18.241  -0.323
  169   HD13  LEU  20          HD13      LEU  20  29.174  18.567  -0.222
  170   HD21  LEU  20          HD21      LEU  20  27.817  14.543   0.240
  171   HD22  LEU  20          HD22      LEU  20  26.670  15.665  -0.531
  172   HD23  LEU  20          HD23      LEU  20  27.128  15.889   1.174
  Start of MODEL   76
    1    H1   TRP   1           HT1      TRP   1  47.586   8.906  14.970
    2    H2   TRP   1           HT2      TRP   1  47.824   9.157  13.306
    3    H3   TRP   1           HT3      TRP   1  47.262   7.656  13.873
    4    HA   TRP   1           HA       TRP   1  45.316   8.924  14.810
    5    HB2  TRP   1           HB2      TRP   1  46.271  10.902  12.705
    6    HB3  TRP   1           HB1      TRP   1  44.809  11.027  13.713
    7    HD1  TRP   1           HD1      TRP   1  48.646  11.125  13.972
    8    HE1  TRP   1           HE1      TRP   1  49.331  12.374  16.148
    9    HE3  TRP   1           HE3      TRP   1  44.004  11.748  16.039
   10    HZ2  TRP   1           HZ2      TRP   1  48.012  13.481  18.456
   11    HZ3  TRP   1           HZ3      TRP   1  43.741  12.904  18.229
   12    HH2  TRP   1           HH2      TRP   1  45.740  13.770  19.438
   13    H    LEU   2           HN       LEU   2  45.468   6.655  13.602
   14    HA   LEU   2           HA       LEU   2  44.441   5.297  12.033
   15    HB2  LEU   2           HB2      LEU   2  42.952   7.746  11.038
   16    HB3  LEU   2           HB1      LEU   2  42.447   6.044  10.962
   17    HG   LEU   2           HG       LEU   2  42.752   7.740  13.481
   18   HD11  LEU   2          HD11      LEU   2  40.716   8.191  12.157
   19   HD12  LEU   2          HD12      LEU   2  40.308   7.343  13.668
   20   HD13  LEU   2          HD13      LEU   2  40.341   6.453  12.127
   21   HD21  LEU   2          HD21      LEU   2  43.421   5.545  14.133
   22   HD22  LEU   2          HD22      LEU   2  42.235   4.768  13.055
   23   HD23  LEU   2          HD23      LEU   2  41.689   5.607  14.527
   24    H    ARG   3           HN       ARG   3  46.363   7.925  11.187
   25    HA   ARG   3           HA       ARG   3  47.739   8.310   9.380
   26    HB2  ARG   3           HB2      ARG   3  46.827   5.669   8.195
   27    HB3  ARG   3           HB1      ARG   3  48.353   6.535   7.919
   28    HG2  ARG   3           HG2      ARG   3  48.842   6.259  10.406
   29    HG3  ARG   3           HG1      ARG   3  47.444   5.161  10.480
   30    HD2  ARG   3           HD2      ARG   3  48.486   3.759   8.691
   31    HD3  ARG   3           HD1      ARG   3  49.912   4.824   8.720
   32    HE   ARG   3           HE       ARG   3  49.418   2.700  10.571
   33   HH11  ARG   3          HH11      ARG   3  52.032   4.184  10.138
   34   HH12  ARG   3          HH12      ARG   3  52.271   4.913  11.692
   35   HH21  ARG   3          HH21      ARG   3  48.997   4.421  12.720
   36   HH22  ARG   3          HH22      ARG   3  50.552   5.046  13.153
   37    H    ARG   4           HN       ARG   4  44.382   7.491   8.864
   38    HA   ARG   4           HA       ARG   4  44.393   8.611   6.111
   39    HB2  ARG   4           HB2      ARG   4  42.124   7.552   7.844
   40    HB3  ARG   4           HB1      ARG   4  42.013   7.992   6.123
   41    HG2  ARG   4           HG2      ARG   4  43.774   6.292   5.606
   42    HG3  ARG   4           HG1      ARG   4  43.774   5.808   7.318
   43    HD2  ARG   4           HD2      ARG   4  41.357   5.244   7.147
   44    HD3  ARG   4           HD1      ARG   4  41.385   5.693   5.424
   45    HE   ARG   4           HE       ARG   4  43.421   3.722   5.997
   46   HH11  ARG   4          HH11      ARG   4  41.390   3.876   3.683
   47   HH12  ARG   4          HH12      ARG   4  40.494   2.417   3.951
   48   HH21  ARG   4          HH21      ARG   4  41.686   1.966   7.176
   49   HH22  ARG   4          HH22      ARG   4  40.663   1.336   5.930
   50    H    ILE   5           HN       ILE   5  43.388   9.412   9.416
   51    HA   ILE   5           HA       ILE   5  42.641  11.405  10.327
   52    HB   ILE   5           HB       ILE   5  43.686  12.792   7.823
   53   HG12  ILE   5          HG12      ILE   5  45.222  11.853  10.293
   54   HG13  ILE   5          HG11      ILE   5  45.401  11.204   8.646
   55   HG21  ILE   5          HG21      ILE   5  43.724  13.702  10.731
   56   HG22  ILE   5          HG22      ILE   5  42.355  14.039   9.645
   57   HG23  ILE   5          HG23      ILE   5  43.967  14.685   9.268
   58   HD11  ILE   5           HD1      ILE   5  46.172  13.949   9.690
   59   HD12  ILE   5           HD2      ILE   5  45.938  13.657   7.949
   60   HD13  ILE   5           HD3      ILE   5  47.184  12.757   8.846
   61    H    GLY   6           HN       GLY   6  40.446  11.021  10.263
   62    HA2  GLY   6           HA1      GLY   6  38.258  11.221   9.518
   63    HA3  GLY   6           HA2      GLY   6  38.779  12.842   9.020
   64    H    LYS   7           HN       LYS   7  40.396  10.191   7.509
   65    HA   LYS   7           HA       LYS   7  40.411   9.525   5.284
   66    HB2  LYS   7           HB2      LYS   7  37.402   9.788   5.660
   67    HB3  LYS   7           HB1      LYS   7  38.201   8.938   4.315
   68    HG2  LYS   7           HG2      LYS   7  39.155   7.299   5.783
   69    HG3  LYS   7           HG1      LYS   7  38.746   8.251   7.231
   70    HD2  LYS   7           HD2      LYS   7  37.168   6.369   6.944
   71    HD3  LYS   7           HD1      LYS   7  36.332   7.929   6.764
   72    HE2  LYS   7           HE2      LYS   7  37.435   6.492   4.325
   73    HE3  LYS   7           HE1      LYS   7  35.855   6.039   5.008
   74    HZ1  LYS   7           HZ1      LYS   7  35.977   8.831   4.880
   75    HZ2  LYS   7           HZ2      LYS   7  34.970   7.781   4.003
   76    HZ3  LYS   7           HZ3      LYS   7  36.482   8.236   3.375
   77    H    GLY   8           HN       GLY   8  39.906  12.562   6.138
   78    HA2  GLY   8           HA1      GLY   8  38.718  13.698   3.742
   79    HA3  GLY   8           HA2      GLY   8  39.594  14.572   5.016
   80    H    VAL   9           HN       VAL   9  39.678  13.336   1.832
   81    HA   VAL   9           HA       VAL   9  42.500  13.016   1.487
   82    HB   VAL   9           HB       VAL   9  40.437  13.927  -0.573
   83   HG11  VAL   9          HG11      VAL   9  43.236  12.737  -0.783
   84   HG12  VAL   9          HG12      VAL   9  42.689  14.315  -1.396
   85   HG13  VAL   9          HG13      VAL   9  42.097  12.815  -2.146
   86   HG21  VAL   9          HG21      VAL   9  40.179  11.577  -1.095
   87   HG22  VAL   9          HG22      VAL   9  39.938  11.764   0.659
   88   HG23  VAL   9          HG23      VAL   9  41.480  11.131   0.035
   89    H    LYS  10           HN       LYS  10  41.046  15.556  -0.469
   90    HA   LYS  10           HA       LYS  10  42.115  17.793   0.996
   91    HB2  LYS  10           HB2      LYS  10  44.273  16.721   0.287
   92    HB3  LYS  10           HB1      LYS  10  43.765  16.911  -1.407
   93    HG2  LYS  10           HG2      LYS  10  43.645  19.344  -1.141
   94    HG3  LYS  10           HG1      LYS  10  44.031  19.199   0.592
   95    HD2  LYS  10           HD2      LYS  10  46.232  18.278   0.074
   96    HD3  LYS  10           HD1      LYS  10  45.847  18.248  -1.664
   97    HE2  LYS  10           HE2      LYS  10  47.182  20.227  -1.245
   98    HE3  LYS  10           HE1      LYS  10  45.512  20.758  -1.547
   99    HZ1  LYS  10           HZ1      LYS  10  45.167  20.846   0.859
  100    HZ2  LYS  10           HZ2      LYS  10  46.433  21.871   0.378
  101    HZ3  LYS  10           HZ3      LYS  10  46.778  20.384   1.123
  102    H    ILE  11           HN       ILE  11  40.896  16.266  -1.890
  103    HA   ILE  11           HA       ILE  11  39.647  18.878  -2.707
  104    HB   ILE  11           HB       ILE  11  40.784  16.877  -4.700
  105   HG12  ILE  11          HG12      ILE  11  42.027  19.441  -3.601
  106   HG13  ILE  11          HG11      ILE  11  42.652  17.789  -3.392
  107   HG21  ILE  11          HG21      ILE  11  40.366  18.598  -6.320
  108   HG22  ILE  11          HG22      ILE  11  40.091  19.824  -5.059
  109   HG23  ILE  11          HG23      ILE  11  38.900  18.528  -5.317
  110   HD11  ILE  11           HD1      ILE  11  43.938  18.668  -5.185
  111   HD12  ILE  11           HD2      ILE  11  42.529  19.461  -5.925
  112   HD13  ILE  11           HD3      ILE  11  42.693  17.688  -5.996
  113    H    ILE  12           HN       ILE  12  39.762  15.323  -3.093
  114    HA   ILE  12           HA       ILE  12  36.941  15.289  -4.006
  115    HB   ILE  12           HB       ILE  12  38.898  13.044  -3.392
  116   HG12  ILE  12          HG12      ILE  12  38.051  14.154  -6.112
  117   HG13  ILE  12          HG11      ILE  12  39.534  14.653  -5.270
  118   HG21  ILE  12          HG21      ILE  12  36.107  13.111  -4.604
  119   HG22  ILE  12          HG22      ILE  12  36.735  12.061  -3.314
  120   HG23  ILE  12          HG23      ILE  12  37.231  11.791  -4.993
  121   HD11  ILE  12           HD1      ILE  12  38.887  12.024  -6.610
  122   HD12  ILE  12           HD2      ILE  12  39.944  11.979  -5.178
  123   HD13  ILE  12           HD3      ILE  12  40.406  12.944  -6.596
  124    H    GLY  13           HN       GLY  13  38.187  12.773  -1.873
  125    HA2  GLY  13           HA1      GLY  13  35.938  12.911  -0.118
  126    HA3  GLY  13           HA2      GLY  13  37.494  12.125   0.244
  127    H    GLY  14           HN       GLY  14  38.380  14.966  -0.753
  128    HA2  GLY  14           HA1      GLY  14  38.788  16.087   1.944
  129    HA3  GLY  14           HA2      GLY  14  39.457  16.694   0.411
  130    H    ALA  15           HN       ALA  15  37.221  17.006  -1.194
  131    HA   ALA  15           HA       ALA  15  35.917  19.314   0.222
  132    HB1  ALA  15           HB1      ALA  15  36.769  19.468  -2.169
  133    HB2  ALA  15           HB2      ALA  15  35.070  19.934  -1.929
  134    HB3  ALA  15           HB3      ALA  15  35.464  18.345  -2.623
  135    H    ALA  16           HN       ALA  16  35.564  16.486   0.952
  136    HA   ALA  16           HA       ALA  16  33.813  15.212   1.751
  137    HB1  ALA  16           HB1      ALA  16  32.691  17.576   1.945
  138    HB2  ALA  16           HB2      ALA  16  31.671  16.121   2.019
  139    HB3  ALA  16           HB3      ALA  16  31.764  17.065   0.515
  140    H    LEU  17           HN       LEU  17  35.116  14.482  -0.530
  141    HA   LEU  17           HA       LEU  17  34.842  13.097  -2.379
  142    HB2  LEU  17           HB2      LEU  17  31.911  12.801  -1.614
  143    HB3  LEU  17           HB1      LEU  17  32.900  11.681  -2.567
  144    HG   LEU  17           HG       LEU  17  33.692  12.343   0.297
  145   HD11  LEU  17          HD11      LEU  17  31.337  11.659   0.428
  146   HD12  LEU  17          HD12      LEU  17  32.386  10.354   1.031
  147   HD13  LEU  17          HD13      LEU  17  31.671  10.243  -0.595
  148   HD21  LEU  17          HD21      LEU  17  35.190  11.035  -1.334
  149   HD22  LEU  17          HD22      LEU  17  33.954   9.760  -1.303
  150   HD23  LEU  17          HD23      LEU  17  34.807  10.208   0.192
  151    H    ASP  18           HN       ASP  18  34.498  15.938  -2.620
  152    HA   ASP  18           HA       ASP  18  33.778  17.506  -4.161
  153    HB2  ASP  18           HB2      ASP  18  33.438  14.981  -5.824
  154    HB3  ASP  18           HB1      ASP  18  33.257  16.626  -6.477
  155    H    HIS  19           HN       HIS  19  31.581  14.927  -5.279
  156    HA   HIS  19           HA       HIS  19  29.284  16.057  -3.860
  157    HB2  HIS  19           HB2      HIS  19  28.052  16.787  -5.860
  158    HB3  HIS  19           HB1      HIS  19  29.552  17.728  -5.671
  159    HD1  HIS  19           HD1      HIS  19  31.618  15.736  -6.811
  160    HD2  HIS  19           HD2      HIS  19  27.902  16.525  -8.622
  161    HE1  HIS  19           HE1      HIS  19  31.833  15.134  -9.285
  162    H    LEU  20           HN       LEU  20  30.361  13.525  -3.813
  163    HA   LEU  20           HA       LEU  20  29.825  11.297  -4.168
  164    HB2  LEU  20           HB2      LEU  20  27.691  12.246  -3.132
  165    HB3  LEU  20           HB1      LEU  20  27.038  12.344  -4.781
  166    HG   LEU  20           HG       LEU  20  27.739   9.792  -4.942
  167   HD11  LEU  20          HD11      LEU  20  27.470   8.653  -2.695
  168   HD12  LEU  20          HD12      LEU  20  27.612  10.247  -1.923
  169   HD13  LEU  20          HD13      LEU  20  28.975   9.582  -2.854
  170   HD21  LEU  20          HD21      LEU  20  25.403  10.710  -3.205
  171   HD22  LEU  20          HD22      LEU  20  25.534   9.130  -4.013
  172   HD23  LEU  20          HD23      LEU  20  25.407  10.618  -4.981
  Start of MODEL   77
    1    H1   TRP   1           HT1      TRP   1  35.429  16.183  10.389
    2    H2   TRP   1           HT2      TRP   1  34.066  16.188   9.375
    3    H3   TRP   1           HT3      TRP   1  35.614  16.451   8.726
    4    HA   TRP   1           HA       TRP   1  34.239  14.036   9.223
    5    HB2  TRP   1           HB2      TRP   1  36.899  14.680   7.888
    6    HB3  TRP   1           HB1      TRP   1  35.981  13.164   7.719
    7    HD1  TRP   1           HD1      TRP   1  33.426  13.467   6.678
    8    HE1  TRP   1           HE1      TRP   1  32.591  15.044   4.787
    9    HE3  TRP   1           HE3      TRP   1  37.236  16.885   6.737
   10    HZ2  TRP   1           HZ2      TRP   1  33.483  17.460   3.498
   11    HZ3  TRP   1           HZ3      TRP   1  37.224  18.818   5.168
   12    HH2  TRP   1           HH2      TRP   1  35.352  19.109   3.550
   13    H    LEU   2           HN       LEU   2  34.795  12.279  10.407
   14    HA   LEU   2           HA       LEU   2  36.578  12.716  12.662
   15    HB2  LEU   2           HB2      LEU   2  34.424  11.240  12.493
   16    HB3  LEU   2           HB1      LEU   2  35.499  10.020  11.779
   17    HG   LEU   2           HG       LEU   2  37.020  10.511  13.909
   18   HD11  LEU   2          HD11      LEU   2  35.773  12.405  14.822
   19   HD12  LEU   2          HD12      LEU   2  35.588  11.022  15.921
   20   HD13  LEU   2          HD13      LEU   2  34.264  11.464  14.820
   21   HD21  LEU   2          HD21      LEU   2  35.902   8.356  13.436
   22   HD22  LEU   2          HD22      LEU   2  34.382   8.989  14.112
   23   HD23  LEU   2          HD23      LEU   2  35.796   8.757  15.166
   24    H    ARG   3           HN       ARG   3  37.072  11.874   9.444
   25    HA   ARG   3           HA       ARG   3  39.025  11.329   8.333
   26    HB2  ARG   3           HB2      ARG   3  40.131  12.435  10.451
   27    HB3  ARG   3           HB1      ARG   3  40.498  10.762  10.926
   28    HG2  ARG   3           HG2      ARG   3  41.623  10.395   8.740
   29    HG3  ARG   3           HG1      ARG   3  41.286  12.084   8.293
   30    HD2  ARG   3           HD2      ARG   3  42.847  11.275  10.782
   31    HD3  ARG   3           HD1      ARG   3  43.610  11.698   9.230
   32    HE   ARG   3           HE       ARG   3  41.809  13.796   9.976
   33   HH11  ARG   3          HH11      ARG   3  43.689  15.411   9.479
   34   HH12  ARG   3          HH12      ARG   3  44.839  15.492  10.772
   35   HH21  ARG   3          HH21      ARG   3  43.764  12.553  12.265
   36   HH22  ARG   3          HH22      ARG   3  44.880  13.874  12.350
   37    H    ARG   4           HN       ARG   4  38.514   9.329  11.275
   38    HA   ARG   4           HA       ARG   4  39.497   6.917   9.975
   39    HB2  ARG   4           HB2      ARG   4  37.828   7.330  12.488
   40    HB3  ARG   4           HB1      ARG   4  38.542   5.779  11.981
   41    HG2  ARG   4           HG2      ARG   4  40.784   6.660  12.163
   42    HG3  ARG   4           HG1      ARG   4  40.175   8.317  12.398
   43    HD2  ARG   4           HD2      ARG   4  40.913   7.046  14.519
   44    HD3  ARG   4           HD1      ARG   4  39.303   7.804  14.561
   45    HE   ARG   4           HE       ARG   4  38.400   5.640  14.771
   46   HH11  ARG   4          HH11      ARG   4  41.731   5.478  14.039
   47   HH12  ARG   4          HH12      ARG   4  41.720   3.786  13.671
   48   HH21  ARG   4          HH21      ARG   4  38.282   3.469  13.989
   49   HH22  ARG   4          HH22      ARG   4  39.767   2.649  13.642
   50    H    ILE   5           HN       ILE   5  36.687   8.738   9.634
   51    HA   ILE   5           HA       ILE   5  35.316   6.438   8.295
   52    HB   ILE   5           HB       ILE   5  33.796   8.363  10.107
   53   HG12  ILE   5          HG12      ILE   5  34.816   5.546  10.699
   54   HG13  ILE   5          HG11      ILE   5  35.344   7.043  11.499
   55   HG21  ILE   5          HG21      ILE   5  31.956   6.866   9.767
   56   HG22  ILE   5          HG22      ILE   5  33.006   5.612   9.066
   57   HG23  ILE   5          HG23      ILE   5  32.672   7.105   8.157
   58   HD11  ILE   5           HD1      ILE   5  33.743   6.124  12.993
   59   HD12  ILE   5           HD2      ILE   5  32.649   5.655  11.672
   60   HD13  ILE   5           HD3      ILE   5  32.833   7.371  12.109
   61    H    GLY   6           HN       GLY   6  36.539   7.907   6.661
   62    HA2  GLY   6           HA1      GLY   6  34.680   9.161   5.011
   63    HA3  GLY   6           HA2      GLY   6  35.319  10.461   6.039
   64    H    LYS   7           HN       LYS   7  37.956   9.313   6.342
   65    HA   LYS   7           HA       LYS   7  40.012   9.499   5.291
   66    HB2  LYS   7           HB2      LYS   7  38.586   8.470   2.814
   67    HB3  LYS   7           HB1      LYS   7  40.304   8.286   3.241
   68    HG2  LYS   7           HG2      LYS   7  39.551   7.019   5.315
   69    HG3  LYS   7           HG1      LYS   7  37.905   7.033   4.636
   70    HD2  LYS   7           HD2      LYS   7  38.751   5.898   2.590
   71    HD3  LYS   7           HD1      LYS   7  40.382   5.853   3.302
   72    HE2  LYS   7           HE2      LYS   7  37.873   4.475   4.346
   73    HE3  LYS   7           HE1      LYS   7  39.349   3.702   3.719
   74    HZ1  LYS   7           HZ1      LYS   7  39.745   3.623   5.950
   75    HZ2  LYS   7           HZ2      LYS   7  38.887   5.050   6.289
   76    HZ3  LYS   7           HZ3      LYS   7  40.442   5.131   5.610
   77    H    GLY   8           HN       GLY   8  38.915  11.910   5.487
   78    HA2  GLY   8           HA1      GLY   8  38.429  13.280   3.021
   79    HA3  GLY   8           HA2      GLY   8  38.903  14.029   4.559
   80    H    VAL   9           HN       VAL   9  39.838  13.253   1.383
   81    HA   VAL   9           HA       VAL   9  42.683  13.055   1.737
   82    HB   VAL   9           HB       VAL   9  41.085  14.063  -0.662
   83   HG11  VAL   9          HG11      VAL   9  43.994  13.234  -0.293
   84   HG12  VAL   9          HG12      VAL   9  43.372  14.783  -0.910
   85   HG13  VAL   9          HG13      VAL   9  43.204  13.306  -1.887
   86   HG21  VAL   9          HG21      VAL   9  42.295  11.323  -0.084
   87   HG22  VAL   9          HG22      VAL   9  41.287  11.776  -1.479
   88   HG23  VAL   9          HG23      VAL   9  40.577  11.724   0.153
   89    H    LYS  10           HN       LYS  10  41.361  15.752  -0.149
   90    HA   LYS  10           HA       LYS  10  42.103  17.815   1.730
   91    HB2  LYS  10           HB2      LYS  10  44.376  16.879   1.020
   92    HB3  LYS  10           HB1      LYS  10  44.021  17.499  -0.610
   93    HG2  LYS  10           HG2      LYS  10  43.572  19.774   0.522
   94    HG3  LYS  10           HG1      LYS  10  44.325  19.077   1.976
   95    HD2  LYS  10           HD2      LYS  10  45.636  19.253  -0.775
   96    HD3  LYS  10           HD1      LYS  10  45.971  20.338   0.594
   97    HE2  LYS  10           HE2      LYS  10  46.533  18.180   1.927
   98    HE3  LYS  10           HE1      LYS  10  46.583  17.374   0.340
   99    HZ1  LYS  10           HZ1      LYS  10  48.345  18.696  -0.355
  100    HZ2  LYS  10           HZ2      LYS  10  48.736  18.359   1.263
  101    HZ3  LYS  10           HZ3      LYS  10  48.089  19.872   0.840
  102    H    ILE  11           HN       ILE  11  41.360  16.669  -1.490
  103    HA   ILE  11           HA       ILE  11  39.992  19.292  -2.069
  104    HB   ILE  11           HB       ILE  11  41.367  17.586  -4.188
  105   HG12  ILE  11          HG12      ILE  11  42.397  20.059  -2.721
  106   HG13  ILE  11          HG11      ILE  11  43.087  18.422  -2.638
  107   HG21  ILE  11          HG21      ILE  11  39.448  19.216  -4.745
  108   HG22  ILE  11          HG22      ILE  11  40.973  19.464  -5.626
  109   HG23  ILE  11          HG23      ILE  11  40.554  20.521  -4.256
  110   HD11  ILE  11           HD1      ILE  11  44.455  19.543  -4.222
  111   HD12  ILE  11           HD2      ILE  11  43.065  20.349  -4.985
  112   HD13  ILE  11           HD3      ILE  11  43.325  18.604  -5.226
  113    H    ILE  12           HN       ILE  12  40.344  15.850  -3.030
  114    HA   ILE  12           HA       ILE  12  37.630  15.768  -4.127
  115    HB   ILE  12           HB       ILE  12  39.531  13.533  -3.340
  116   HG12  ILE  12          HG12      ILE  12  40.677  14.925  -4.933
  117   HG13  ILE  12          HG11      ILE  12  40.107  13.499  -5.820
  118   HG21  ILE  12          HG21      ILE  12  37.471  12.451  -3.653
  119   HG22  ILE  12          HG22      ILE  12  38.127  12.382  -5.303
  120   HG23  ILE  12          HG23      ILE  12  36.914  13.611  -4.877
  121   HD11  ILE  12           HD1      ILE  12  38.011  14.984  -6.385
  122   HD12  ILE  12           HD2      ILE  12  39.531  15.287  -7.253
  123   HD13  ILE  12           HD3      ILE  12  39.052  16.343  -5.905
  124    H    GLY  13           HN       GLY  13  38.631  13.149  -1.992
  125    HA2  GLY  13           HA1      GLY  13  36.196  13.075  -0.548
  126    HA3  GLY  13           HA2      GLY  13  37.745  12.411   0.017
  127    H    GLY  14           HN       GLY  14  38.622  15.293  -0.693
  128    HA2  GLY  14           HA1      GLY  14  38.509  16.324   2.057
  129    HA3  GLY  14           HA2      GLY  14  39.350  17.051   0.670
  130    H    ALA  15           HN       ALA  15  37.345  17.331  -1.228
  131    HA   ALA  15           HA       ALA  15  35.732  19.492   0.076
  132    HB1  ALA  15           HB1      ALA  15  35.759  18.601  -2.833
  133    HB2  ALA  15           HB2      ALA  15  36.832  19.853  -2.154
  134    HB3  ALA  15           HB3      ALA  15  35.071  20.099  -2.172
  135    H    ALA  16           HN       ALA  16  35.416  16.639   0.686
  136    HA   ALA  16           HA       ALA  16  33.602  15.335   1.284
  137    HB1  ALA  16           HB1      ALA  16  32.328  17.639   1.115
  138    HB2  ALA  16           HB2      ALA  16  31.405  16.118   1.151
  139    HB3  ALA  16           HB3      ALA  16  31.678  16.957  -0.394
  140    H    LEU  17           HN       LEU  17  35.358  14.820  -0.916
  141    HA   LEU  17           HA       LEU  17  35.455  13.407  -2.766
  142    HB2  LEU  17           HB2      LEU  17  33.843  12.165  -0.966
  143    HB3  LEU  17           HB1      LEU  17  32.674  12.333  -2.289
  144    HG   LEU  17           HG       LEU  17  35.445  11.063  -2.549
  145   HD11  LEU  17          HD11      LEU  17  34.287   8.933  -2.598
  146   HD12  LEU  17          HD12      LEU  17  32.701   9.739  -2.535
  147   HD13  LEU  17          HD13      LEU  17  33.784   9.794  -1.124
  148   HD21  LEU  17          HD21      LEU  17  34.513  10.268  -4.738
  149   HD22  LEU  17          HD22      LEU  17  34.650  12.039  -4.659
  150   HD23  LEU  17          HD23      LEU  17  33.063  11.258  -4.451
  151    H    ASP  18           HN       ASP  18  34.638  16.028  -3.254
  152    HA   ASP  18           HA       ASP  18  33.617  17.335  -4.873
  153    HB2  ASP  18           HB2      ASP  18  33.639  14.659  -6.320
  154    HB3  ASP  18           HB1      ASP  18  33.206  16.203  -7.091
  155    H    HIS  19           HN       HIS  19  31.849  14.392  -5.791
  156    HA   HIS  19           HA       HIS  19  29.437  15.160  -4.327
  157    HB2  HIS  19           HB2      HIS  19  29.369  16.813  -6.172
  158    HB3  HIS  19           HB1      HIS  19  29.471  15.486  -7.354
  159    HD1  HIS  19           HD1      HIS  19  27.529  14.241  -4.595
  160    HD2  HIS  19           HD2      HIS  19  26.709  16.833  -7.803
  161    HE1  HIS  19           HE1      HIS  19  24.993  14.284  -4.911
  162    H    LEU  20           HN       LEU  20  30.760  12.856  -4.107
  163    HA   LEU  20           HA       LEU  20  30.571  10.562  -4.343
  164    HB2  LEU  20           HB2      LEU  20  28.356  10.889  -3.452
  165    HB3  LEU  20           HB1      LEU  20  27.738  11.438  -5.024
  166    HG   LEU  20           HG       LEU  20  27.963   9.222  -5.977
  167   HD11  LEU  20          HD11      LEU  20  29.479   8.619  -3.408
  168   HD12  LEU  20          HD12      LEU  20  30.020   8.399  -5.090
  169   HD13  LEU  20          HD13      LEU  20  28.779   7.323  -4.407
  170   HD21  LEU  20          HD21      LEU  20  26.879   8.894  -3.146
  171   HD22  LEU  20          HD22      LEU  20  26.398   7.979  -4.596
  172   HD23  LEU  20          HD23      LEU  20  25.996   9.707  -4.461
  Start of MODEL   78
    1    H1   TRP   1           HT1      TRP   1  40.160   2.879  10.175
    2    H2   TRP   1           HT2      TRP   1  41.019   1.537  10.764
    3    H3   TRP   1           HT3      TRP   1  39.804   1.326   9.596
    4    HA   TRP   1           HA       TRP   1  41.979   3.120   8.938
    5    HB2  TRP   1           HB2      TRP   1  43.370   1.174   8.201
    6    HB3  TRP   1           HB1      TRP   1  43.206   1.285   9.971
    7    HD1  TRP   1           HD1      TRP   1  41.318  -0.358  11.094
    8    HE1  TRP   1           HE1      TRP   1  40.562  -2.754  10.426
    9    HE3  TRP   1           HE3      TRP   1  43.046  -0.435   6.276
   10    HZ2  TRP   1           HZ2      TRP   1  40.706  -4.448   8.101
   11    HZ3  TRP   1           HZ3      TRP   1  42.727  -2.451   4.851
   12    HH2  TRP   1           HH2      TRP   1  41.559  -4.456   5.758
   13    H    LEU   2           HN       LEU   2  41.355   3.883   7.036
   14    HA   LEU   2           HA       LEU   2  39.382   2.466   5.421
   15    HB2  LEU   2           HB2      LEU   2  39.612   4.995   5.653
   16    HB3  LEU   2           HB1      LEU   2  41.063   4.869   4.638
   17    HG   LEU   2           HG       LEU   2  39.466   3.551   2.973
   18   HD11  LEU   2          HD11      LEU   2  37.122   4.479   3.066
   19   HD12  LEU   2          HD12      LEU   2  37.485   5.135   4.678
   20   HD13  LEU   2          HD13      LEU   2  37.496   3.376   4.407
   21   HD21  LEU   2          HD21      LEU   2  39.259   6.563   3.420
   22   HD22  LEU   2          HD22      LEU   2  38.799   5.716   1.924
   23   HD23  LEU   2          HD23      LEU   2  40.496   5.723   2.457
   24    H    ARG   3           HN       ARG   3  42.524   3.816   4.400
   25    HA   ARG   3           HA       ARG   3  43.385   1.221   3.292
   26    HB2  ARG   3           HB2      ARG   3  41.836   2.218   1.545
   27    HB3  ARG   3           HB1      ARG   3  42.961   3.591   1.426
   28    HG2  ARG   3           HG2      ARG   3  44.766   2.142   0.703
   29    HG3  ARG   3           HG1      ARG   3  43.796   0.685   1.029
   30    HD2  ARG   3           HD2      ARG   3  43.118   2.835  -1.028
   31    HD3  ARG   3           HD1      ARG   3  43.818   1.238  -1.393
   32    HE   ARG   3           HE       ARG   3  41.449   0.797   0.107
   33   HH11  ARG   3          HH11      ARG   3  42.572   0.489  -2.954
   34   HH12  ARG   3          HH12      ARG   3  41.077   0.811  -3.767
   35   HH21  ARG   3          HH21      ARG   3  39.457   1.925  -0.911
   36   HH22  ARG   3          HH22      ARG   3  39.313   1.624  -2.610
   37    H    ARG   4           HN       ARG   4  43.783   4.353   4.478
   38    HA   ARG   4           HA       ARG   4  46.721   4.031   4.533
   39    HB2  ARG   4           HB2      ARG   4  47.058   6.375   3.662
   40    HB3  ARG   4           HB1      ARG   4  46.496   5.219   2.430
   41    HG2  ARG   4           HG2      ARG   4  44.164   6.001   2.765
   42    HG3  ARG   4           HG1      ARG   4  44.735   7.171   3.978
   43    HD2  ARG   4           HD2      ARG   4  44.490   8.316   1.834
   44    HD3  ARG   4           HD1      ARG   4  46.223   8.187   2.223
   45    HE   ARG   4           HE       ARG   4  45.426   5.920   0.646
   46   HH11  ARG   4          HH11      ARG   4  47.386   6.240  -0.846
   47   HH12  ARG   4          HH12      ARG   4  47.209   7.581  -1.928
   48   HH21  ARG   4          HH21      ARG   4  44.570   8.990  -0.174
   49   HH22  ARG   4          HH22      ARG   4  45.615   9.138  -1.547
   50    H    ILE   5           HN       ILE   5  43.844   4.659   5.953
   51    HA   ILE   5           HA       ILE   5  43.225   5.669   7.941
   52    HB   ILE   5           HB       ILE   5  46.184   5.826   8.648
   53   HG12  ILE   5          HG12      ILE   5  44.320   3.407   8.682
   54   HG13  ILE   5          HG11      ILE   5  45.785   3.601   7.692
   55   HG21  ILE   5          HG21      ILE   5  45.412   5.604  10.904
   56   HG22  ILE   5          HG22      ILE   5  43.785   5.102  10.381
   57   HG23  ILE   5          HG23      ILE   5  44.318   6.784  10.147
   58   HD11  ILE   5           HD1      ILE   5  47.034   3.932   9.951
   59   HD12  ILE   5           HD2      ILE   5  46.499   2.285   9.536
   60   HD13  ILE   5           HD3      ILE   5  45.568   3.253  10.701
   61    H    GLY   6           HN       GLY   6  42.439   7.595   7.077
   62    HA2  GLY   6           HA1      GLY   6  43.715   9.975   8.035
   63    HA3  GLY   6           HA2      GLY   6  44.008   9.813   6.292
   64    H    LYS   7           HN       LYS   7  41.384   8.336   6.016
   65    HA   LYS   7           HA       LYS   7  39.230   8.920   5.393
   66    HB2  LYS   7           HB2      LYS   7  39.352  10.959   7.641
   67    HB3  LYS   7           HB1      LYS   7  37.913  10.146   6.979
   68    HG2  LYS   7           HG2      LYS   7  39.014   7.931   7.704
   69    HG3  LYS   7           HG1      LYS   7  40.166   8.926   8.625
   70    HD2  LYS   7           HD2      LYS   7  37.130   8.981   8.934
   71    HD3  LYS   7           HD1      LYS   7  38.269   8.190  10.048
   72    HE2  LYS   7           HE2      LYS   7  39.404  10.527  10.237
   73    HE3  LYS   7           HE1      LYS   7  37.909  11.156   9.502
   74    HZ1  LYS   7           HZ1      LYS   7  38.266  10.713  12.136
   75    HZ2  LYS   7           HZ2      LYS   7  37.481   9.283  11.661
   76    HZ3  LYS   7           HZ3      LYS   7  36.757  10.791  11.366
   77    H    GLY   8           HN       GLY   8  39.202   9.839   3.433
   78    HA2  GLY   8           HA1      GLY   8  38.895  11.576   1.919
   79    HA3  GLY   8           HA2      GLY   8  38.938  12.731   3.263
   80    H    VAL   9           HN       VAL   9  40.104  14.038   1.669
   81    HA   VAL   9           HA       VAL   9  43.038  13.589   1.979
   82    HB   VAL   9           HB       VAL   9  43.155  14.395  -0.577
   83   HG11  VAL   9          HG11      VAL   9  44.095  12.274   0.255
   84   HG12  VAL   9          HG12      VAL   9  43.247  12.011  -1.288
   85   HG13  VAL   9          HG13      VAL   9  42.476  11.533   0.243
   86   HG21  VAL   9          HG21      VAL   9  40.578  12.764  -0.617
   87   HG22  VAL   9          HG22      VAL   9  41.333  13.670  -1.951
   88   HG23  VAL   9          HG23      VAL   9  40.567  14.541  -0.603
   89    H    LYS  10           HN       LYS  10  41.815  15.797  -0.417
   90    HA   LYS  10           HA       LYS  10  41.439  18.038   1.412
   91    HB2  LYS  10           HB2      LYS  10  43.985  17.635   1.335
   92    HB3  LYS  10           HB1      LYS  10  43.907  18.176  -0.358
   93    HG2  LYS  10           HG2      LYS  10  42.668  20.268   0.558
   94    HG3  LYS  10           HG1      LYS  10  43.230  19.746   2.161
   95    HD2  LYS  10           HD2      LYS  10  45.040  20.250  -0.243
   96    HD3  LYS  10           HD1      LYS  10  44.774  21.399   1.088
   97    HE2  LYS  10           HE2      LYS  10  45.534  19.500   2.666
   98    HE3  LYS  10           HE1      LYS  10  46.108  18.670   1.200
   99    HZ1  LYS  10           HZ1      LYS  10  46.860  21.479   1.708
  100    HZ2  LYS  10           HZ2      LYS  10  47.662  20.301   0.783
  101    HZ3  LYS  10           HZ3      LYS  10  47.700  20.223   2.480
  102    H    ILE  11           HN       ILE  11  41.649  16.566  -1.719
  103    HA   ILE  11           HA       ILE  11  40.456  19.008  -3.025
  104    HB   ILE  11           HB       ILE  11  41.624  16.529  -4.331
  105   HG12  ILE  11          HG12      ILE  11  43.399  17.551  -3.031
  106   HG13  ILE  11          HG11      ILE  11  43.666  17.966  -4.736
  107   HG21  ILE  11          HG21      ILE  11  40.578  19.195  -5.336
  108   HG22  ILE  11          HG22      ILE  11  40.366  17.567  -6.006
  109   HG23  ILE  11          HG23      ILE  11  41.910  18.415  -6.219
  110   HD11  ILE  11           HD1      ILE  11  42.628  19.733  -2.494
  111   HD12  ILE  11           HD2      ILE  11  42.351  20.151  -4.200
  112   HD13  ILE  11           HD3      ILE  11  44.007  20.009  -3.579
  113    H    ILE  12           HN       ILE  12  40.181  15.433  -2.852
  114    HA   ILE  12           HA       ILE  12  37.451  15.610  -4.065
  115    HB   ILE  12           HB       ILE  12  39.172  13.211  -3.338
  116   HG12  ILE  12          HG12      ILE  12  40.294  14.528  -5.052
  117   HG13  ILE  12          HG11      ILE  12  39.627  13.066  -5.805
  118   HG21  ILE  12          HG21      ILE  12  37.054  12.251  -3.523
  119   HG22  ILE  12          HG22      ILE  12  37.494  12.241  -5.242
  120   HG23  ILE  12          HG23      ILE  12  36.440  13.522  -4.601
  121   HD11  ILE  12           HD1      ILE  12  39.029  14.772  -7.325
  122   HD12  ILE  12           HD2      ILE  12  38.661  15.933  -6.033
  123   HD13  ILE  12           HD3      ILE  12  37.552  14.582  -6.359
  124    H    GLY  13           HN       GLY  13  38.165  12.888  -2.015
  125    HA2  GLY  13           HA1      GLY  13  35.878  13.162  -0.401
  126    HA3  GLY  13           HA2      GLY  13  37.351  12.284   0.072
  127    H    GLY  14           HN       GLY  14  38.619  15.021  -0.628
  128    HA2  GLY  14           HA1      GLY  14  38.659  16.030   2.146
  129    HA3  GLY  14           HA2      GLY  14  39.640  16.592   0.779
  130    H    ALA  15           HN       ALA  15  37.795  17.186  -1.181
  131    HA   ALA  15           HA       ALA  15  36.561  19.621   0.031
  132    HB1  ALA  15           HB1      ALA  15  37.723  19.563  -2.241
  133    HB2  ALA  15           HB2      ALA  15  36.103  20.296  -2.208
  134    HB3  ALA  15           HB3      ALA  15  36.318  18.644  -2.834
  135    H    ALA  16           HN       ALA  16  35.733  16.875   0.750
  136    HA   ALA  16           HA       ALA  16  33.720  15.945   1.397
  137    HB1  ALA  16           HB1      ALA  16  32.888  18.438   1.170
  138    HB2  ALA  16           HB2      ALA  16  31.703  17.113   1.250
  139    HB3  ALA  16           HB3      ALA  16  32.111  17.848  -0.318
  140    H    LEU  17           HN       LEU  17  35.316  15.015  -0.768
  141    HA   LEU  17           HA       LEU  17  35.130  13.580  -2.601
  142    HB2  LEU  17           HB2      LEU  17  33.537  12.535  -0.794
  143    HB3  LEU  17           HB1      LEU  17  32.227  13.124  -1.841
  144    HG   LEU  17           HG       LEU  17  33.665  11.903  -3.764
  145   HD11  LEU  17          HD11      LEU  17  34.906   9.994  -3.034
  146   HD12  LEU  17          HD12      LEU  17  34.322  10.152  -1.361
  147   HD13  LEU  17          HD13      LEU  17  35.476  11.334  -2.015
  148   HD21  LEU  17          HD21      LEU  17  32.315   9.851  -3.391
  149   HD22  LEU  17          HD22      LEU  17  31.344  11.319  -3.127
  150   HD23  LEU  17          HD23      LEU  17  31.953  10.392  -1.734
  151    H    ASP  18           HN       ASP  18  34.195  16.479  -2.746
  152    HA   ASP  18           HA       ASP  18  33.225  17.879  -4.321
  153    HB2  ASP  18           HB2      ASP  18  33.803  15.441  -6.046
  154    HB3  ASP  18           HB1      ASP  18  33.247  17.000  -6.699
  155    H    HIS  19           HN       HIS  19  31.991  14.969  -5.918
  156    HA   HIS  19           HA       HIS  19  29.373  15.907  -6.259
  157    HB2  HIS  19           HB2      HIS  19  30.390  13.857  -7.309
  158    HB3  HIS  19           HB1      HIS  19  30.150  13.006  -5.765
  159    HD1  HIS  19           HD1      HIS  19  27.412  15.292  -5.991
  160    HD2  HIS  19           HD2      HIS  19  28.277  11.565  -7.737
  161    HE1  HIS  19           HE1      HIS  19  25.210  14.326  -6.856
  162    H    LEU  20           HN       LEU  20  30.812  14.222  -3.481
  163    HA   LEU  20           HA       LEU  20  29.988  13.835  -1.354
  164    HB2  LEU  20           HB2      LEU  20  29.708  16.443  -1.730
  165    HB3  LEU  20           HB1      LEU  20  27.970  16.070  -1.731
  166    HG   LEU  20           HG       LEU  20  29.969  15.420   0.486
  167   HD11  LEU  20          HD11      LEU  20  28.770  17.079   1.773
  168   HD12  LEU  20          HD12      LEU  20  27.531  17.247   0.506
  169   HD13  LEU  20          HD13      LEU  20  29.188  17.824   0.211
  170   HD21  LEU  20          HD21      LEU  20  27.756  14.794   1.704
  171   HD22  LEU  20          HD22      LEU  20  28.389  13.633   0.517
  172   HD23  LEU  20          HD23      LEU  20  27.036  14.705   0.079
  Start of MODEL   79
    1    H1   TRP   1           HT1      TRP   1  44.486   1.639  -2.731
    2    H2   TRP   1           HT2      TRP   1  44.152   3.118  -1.963
    3    H3   TRP   1           HT3      TRP   1  44.541   3.082  -3.617
    4    HA   TRP   1           HA       TRP   1  42.554   2.130  -4.216
    5    HB2  TRP   1           HB2      TRP   1  42.591   0.436  -2.365
    6    HB3  TRP   1           HB1      TRP   1  42.010   1.700  -1.255
    7    HD1  TRP   1           HD1      TRP   1  39.486   1.887  -1.052
    8    HE1  TRP   1           HE1      TRP   1  37.412   1.144  -2.432
    9    HE3  TRP   1           HE3      TRP   1  41.887  -0.045  -5.141
   10    HZ2  TRP   1           HZ2      TRP   1  36.899  -0.117  -4.968
   11    HZ3  TRP   1           HZ3      TRP   1  40.583  -1.013  -7.030
   12    HH2  TRP   1           HH2      TRP   1  38.094  -1.050  -6.947
   13    H    LEU   2           HN       LEU   2  43.417   4.678  -3.965
   14    HA   LEU   2           HA       LEU   2  40.991   6.159  -3.882
   15    HB2  LEU   2           HB2      LEU   2  40.984   5.948  -1.477
   16    HB3  LEU   2           HB1      LEU   2  42.710   6.351  -1.381
   17    HG   LEU   2           HG       LEU   2  42.286   8.648  -2.036
   18   HD11  LEU   2          HD11      LEU   2  39.487   7.615  -2.645
   19   HD12  LEU   2          HD12      LEU   2  40.608   8.478  -3.727
   20   HD13  LEU   2          HD13      LEU   2  39.813   9.347  -2.395
   21   HD21  LEU   2          HD21      LEU   2  41.856   8.064   0.338
   22   HD22  LEU   2          HD22      LEU   2  40.156   7.719  -0.059
   23   HD23  LEU   2          HD23      LEU   2  40.786   9.377  -0.208
   24    H    ARG   3           HN       ARG   3  44.354   6.584  -2.830
   25    HA   ARG   3           HA       ARG   3  45.194   7.936  -5.237
   26    HB2  ARG   3           HB2      ARG   3  43.794   9.761  -4.216
   27    HB3  ARG   3           HB1      ARG   3  44.828   9.692  -2.770
   28    HG2  ARG   3           HG2      ARG   3  46.807  10.245  -4.141
   29    HG3  ARG   3           HG1      ARG   3  45.792  10.285  -5.603
   30    HD2  ARG   3           HD2      ARG   3  44.495  12.152  -4.712
   31    HD3  ARG   3           HD1      ARG   3  45.367  12.062  -3.162
   32    HE   ARG   3           HE       ARG   3  47.163  12.453  -5.427
   33   HH11  ARG   3          HH11      ARG   3  48.398  13.883  -3.610
   34   HH12  ARG   3          HH12      ARG   3  47.679  15.455  -3.508
   35   HH21  ARG   3          HH21      ARG   3  44.759  14.517  -5.124
   36   HH22  ARG   3          HH22      ARG   3  45.620  15.814  -4.366
   37    H    ARG   4           HN       ARG   4  45.419   6.849  -2.003
   38    HA   ARG   4           HA       ARG   4  48.100   5.933  -2.255
   39    HB2  ARG   4           HB2      ARG   4  49.114   7.464  -0.479
   40    HB3  ARG   4           HB1      ARG   4  48.877   8.195  -2.084
   41    HG2  ARG   4           HG2      ARG   4  46.742   9.199  -1.311
   42    HG3  ARG   4           HG1      ARG   4  46.994   8.480   0.298
   43    HD2  ARG   4           HD2      ARG   4  48.988  10.358  -1.035
   44    HD3  ARG   4           HD1      ARG   4  47.725  10.908   0.092
   45    HE   ARG   4           HE       ARG   4  48.989   8.917   1.521
   46   HH11  ARG   4          HH11      ARG   4  49.284  12.062   1.666
   47   HH12  ARG   4          HH12      ARG   4  51.006  12.170   1.813
   48   HH21  ARG   4          HH21      ARG   4  51.557   8.875   0.882
   49   HH22  ARG   4          HH22      ARG   4  52.294  10.365   1.369
   50    H    ILE   5           HN       ILE   5  45.208   5.545  -1.264
   51    HA   ILE   5           HA       ILE   5  44.199   4.332   0.426
   52    HB   ILE   5           HB       ILE   5  46.978   3.602   1.443
   53   HG12  ILE   5          HG12      ILE   5  45.383   2.306  -0.817
   54   HG13  ILE   5          HG11      ILE   5  46.859   3.275  -1.033
   55   HG21  ILE   5          HG21      ILE   5  45.903   1.640   2.295
   56   HG22  ILE   5          HG22      ILE   5  44.431   1.936   1.339
   57   HG23  ILE   5          HG23      ILE   5  44.824   2.986   2.719
   58   HD11  ILE   5           HD1      ILE   5  47.637   1.034  -1.030
   59   HD12  ILE   5           HD2      ILE   5  46.553   0.564   0.299
   60   HD13  ILE   5           HD3      ILE   5  47.965   1.599   0.624
   61    H    GLY   6           HN       GLY   6  43.238   4.977   2.239
   62    HA2  GLY   6           HA1      GLY   6  42.979   5.929   4.341
   63    HA3  GLY   6           HA2      GLY   6  44.739   6.088   4.467
   64    H    LYS   7           HN       LYS   7  45.678   7.818   2.895
   65    HA   LYS   7           HA       LYS   7  44.211  10.316   3.535
   66    HB2  LYS   7           HB2      LYS   7  46.876   9.999   2.111
   67    HB3  LYS   7           HB1      LYS   7  46.248  11.437   2.948
   68    HG2  LYS   7           HG2      LYS   7  46.226  10.122   5.089
   69    HG3  LYS   7           HG1      LYS   7  46.993   8.770   4.224
   70    HD2  LYS   7           HD2      LYS   7  48.863  10.343   3.575
   71    HD3  LYS   7           HD1      LYS   7  48.130  11.567   4.638
   72    HE2  LYS   7           HE2      LYS   7  49.038   8.791   5.516
   73    HE3  LYS   7           HE1      LYS   7  49.931  10.303   5.800
   74    HZ1  LYS   7           HZ1      LYS   7  47.351  10.766   6.670
   75    HZ2  LYS   7           HZ2      LYS   7  48.731  10.536   7.634
   76    HZ3  LYS   7           HZ3      LYS   7  47.734   9.217   7.243
   77    H    GLY   8           HN       GLY   8  44.657  12.086   1.694
   78    HA2  GLY   8           HA1      GLY   8  44.466  12.631  -0.622
   79    HA3  GLY   8           HA2      GLY   8  43.935  10.977  -0.983
   80    H    VAL   9           HN       VAL   9  42.931  13.880   0.877
   81    HA   VAL   9           HA       VAL   9  40.276  13.780  -0.398
   82    HB   VAL   9           HB       VAL   9  39.070  13.785   1.829
   83   HG11  VAL   9          HG11      VAL   9  40.640  11.208   1.409
   84   HG12  VAL   9          HG12      VAL   9  39.349  11.735   0.303
   85   HG13  VAL   9          HG13      VAL   9  38.976  11.398   2.009
   86   HG21  VAL   9          HG21      VAL   9  40.299  12.797   3.767
   87   HG22  VAL   9          HG22      VAL   9  40.991  14.356   3.257
   88   HG23  VAL   9          HG23      VAL   9  41.800  12.835   2.810
   89    H    LYS  10           HN       LYS  10  42.721  15.536  -0.004
   90    HA   LYS  10           HA       LYS  10  41.805  17.756   1.663
   91    HB2  LYS  10           HB2      LYS  10  43.953  17.660  -0.494
   92    HB3  LYS  10           HB1      LYS  10  43.732  18.950   0.711
   93    HG2  LYS  10           HG2      LYS  10  44.325  17.515   2.525
   94    HG3  LYS  10           HG1      LYS  10  44.149  16.050   1.532
   95    HD2  LYS  10           HD2      LYS  10  46.531  16.562   1.831
   96    HD3  LYS  10           HD1      LYS  10  46.075  16.800   0.127
   97    HE2  LYS  10           HE2      LYS  10  46.056  19.177   0.352
   98    HE3  LYS  10           HE1      LYS  10  46.061  19.090   2.132
   99    HZ1  LYS  10           HZ1      LYS  10  48.284  17.735   1.534
  100    HZ2  LYS  10           HZ2      LYS  10  48.254  19.404   1.848
  101    HZ3  LYS  10           HZ3      LYS  10  48.260  18.838   0.246
  102    H    ILE  11           HN       ILE  11  41.099  16.602  -1.471
  103    HA   ILE  11           HA       ILE  11  39.667  19.166  -2.124
  104    HB   ILE  11           HB       ILE  11  41.176  17.520  -4.190
  105   HG12  ILE  11          HG12      ILE  11  42.048  20.046  -2.711
  106   HG13  ILE  11          HG11      ILE  11  42.822  18.448  -2.623
  107   HG21  ILE  11          HG21      ILE  11  40.726  19.367  -5.658
  108   HG22  ILE  11          HG22      ILE  11  40.220  20.413  -4.310
  109   HG23  ILE  11          HG23      ILE  11  39.194  19.049  -4.815
  110   HD11  ILE  11           HD1      ILE  11  44.157  19.650  -4.176
  111   HD12  ILE  11           HD2      ILE  11  42.741  20.385  -4.960
  112   HD13  ILE  11           HD3      ILE  11  43.098  18.657  -5.206
  113    H    ILE  12           HN       ILE  12  40.168  15.697  -2.652
  114    HA   ILE  12           HA       ILE  12  37.701  15.327  -4.156
  115    HB   ILE  12           HB       ILE  12  39.434  13.391  -2.593
  116   HG12  ILE  12          HG12      ILE  12  39.403  13.984  -5.592
  117   HG13  ILE  12          HG11      ILE  12  40.573  14.681  -4.450
  118   HG21  ILE  12          HG21      ILE  12  38.382  11.692  -4.208
  119   HG22  ILE  12          HG22      ILE  12  37.233  12.968  -4.668
  120   HG23  ILE  12          HG23      ILE  12  37.273  12.363  -2.996
  121   HD11  ILE  12           HD1      ILE  12  40.961  12.091  -3.808
  122   HD12  ILE  12           HD2      ILE  12  41.794  12.832  -5.193
  123   HD13  ILE  12           HD3      ILE  12  40.345  11.840  -5.460
  124    H    GLY  13           HN       GLY  13  38.432  13.421  -1.255
  125    HA2  GLY  13           HA1      GLY  13  35.729  13.524  -0.298
  126    HA3  GLY  13           HA2      GLY  13  37.160  13.024   0.636
  127    H    GLY  14           HN       GLY  14  38.094  15.733  -0.679
  128    HA2  GLY  14           HA1      GLY  14  37.641  17.352   1.760
  129    HA3  GLY  14           HA2      GLY  14  38.661  17.768   0.363
  130    H    ALA  15           HN       ALA  15  36.841  17.411  -1.740
  131    HA   ALA  15           HA       ALA  15  35.125  19.825  -1.298
  132    HB1  ALA  15           HB1      ALA  15  34.705  19.674  -3.712
  133    HB2  ALA  15           HB2      ALA  15  35.591  18.135  -3.791
  134    HB3  ALA  15           HB3      ALA  15  36.452  19.643  -3.387
  135    H    ALA  16           HN       ALA  16  34.736  17.258   0.057
  136    HA   ALA  16           HA       ALA  16  32.888  16.068   0.766
  137    HB1  ALA  16           HB1      ALA  16  30.712  16.729   0.219
  138    HB2  ALA  16           HB2      ALA  16  31.151  17.190  -1.442
  139    HB3  ALA  16           HB3      ALA  16  31.632  18.222  -0.076
  140    H    LEU  17           HN       LEU  17  34.870  15.126  -1.101
  141    HA   LEU  17           HA       LEU  17  35.161  13.364  -2.599
  142    HB2  LEU  17           HB2      LEU  17  33.606  12.436  -0.590
  143    HB3  LEU  17           HB1      LEU  17  32.461  12.194  -1.923
  144    HG   LEU  17           HG       LEU  17  35.331  11.136  -1.868
  145   HD11  LEU  17          HD11      LEU  17  32.703   9.625  -1.556
  146   HD12  LEU  17          HD12      LEU  17  33.748  10.095  -0.193
  147   HD13  LEU  17          HD13      LEU  17  34.349   8.962  -1.428
  148   HD21  LEU  17          HD21      LEU  17  34.488   9.763  -3.808
  149   HD22  LEU  17          HD22      LEU  17  34.538  11.509  -4.152
  150   HD23  LEU  17          HD23      LEU  17  32.987  10.715  -3.779
  151    H    ASP  18           HN       ASP  18  34.351  15.604  -3.864
  152    HA   ASP  18           HA       ASP  18  33.271  16.398  -5.763
  153    HB2  ASP  18           HB2      ASP  18  33.428  13.434  -6.438
  154    HB3  ASP  18           HB1      ASP  18  33.026  14.716  -7.606
  155    H    HIS  19           HN       HIS  19  31.617  15.385  -3.431
  156    HA   HIS  19           HA       HIS  19  29.370  15.070  -2.947
  157    HB2  HIS  19           HB2      HIS  19  29.013  16.370  -5.678
  158    HB3  HIS  19           HB1      HIS  19  27.759  16.216  -4.423
  159    HD1  HIS  19           HD1      HIS  19  27.871  17.773  -2.379
  160    HD2  HIS  19           HD2      HIS  19  31.054  18.289  -5.080
  161    HE1  HIS  19           HE1      HIS  19  29.128  19.887  -1.681
  162    H    LEU  20           HN       LEU  20  30.353  12.734  -3.559
  163    HA   LEU  20           HA       LEU  20  28.123  11.365  -4.824
  164    HB2  LEU  20           HB2      LEU  20  29.418  12.144  -6.831
  165    HB3  LEU  20           HB1      LEU  20  30.821  11.238  -6.230
  166    HG   LEU  20           HG       LEU  20  29.410   9.136  -6.276
  167   HD11  LEU  20          HD11      LEU  20  27.374   9.409  -7.947
  168   HD12  LEU  20          HD12      LEU  20  27.396  11.107  -7.419
  169   HD13  LEU  20          HD13      LEU  20  27.143   9.806  -6.232
  170   HD21  LEU  20          HD21      LEU  20  30.986   9.773  -8.098
  171   HD22  LEU  20          HD22      LEU  20  29.665  10.637  -8.920
  172   HD23  LEU  20          HD23      LEU  20  29.581   8.870  -8.717
  Start of MODEL   80
    1    H1   TRP   1           HT1      TRP   1  45.752   8.105  13.297
    2    H2   TRP   1           HT2      TRP   1  45.513   6.807  12.226
    3    H3   TRP   1           HT3      TRP   1  45.322   6.579  13.900
    4    HA   TRP   1           HA       TRP   1  43.429   7.321  12.009
    5    HB2  TRP   1           HB2      TRP   1  41.947   7.222  14.063
    6    HB3  TRP   1           HB1      TRP   1  42.954   5.778  13.797
    7    HD1  TRP   1           HD1      TRP   1  42.422   8.680  16.168
    8    HE1  TRP   1           HE1      TRP   1  43.940   8.417  18.263
    9    HE3  TRP   1           HE3      TRP   1  45.325   4.772  14.580
   10    HZ2  TRP   1           HZ2      TRP   1  46.112   6.726  19.105
   11    HZ3  TRP   1           HZ3      TRP   1  47.114   3.850  16.046
   12    HH2  TRP   1           HH2      TRP   1  47.510   4.823  18.305
   13    H    LEU   2           HN       LEU   2  42.521   9.201  11.461
   14    HA   LEU   2           HA       LEU   2  43.571  11.668  12.580
   15    HB2  LEU   2           HB2      LEU   2  41.102  11.391  10.838
   16    HB3  LEU   2           HB1      LEU   2  42.206  12.780  10.974
   17    HG   LEU   2           HG       LEU   2  42.894  10.036   9.829
   18   HD11  LEU   2          HD11      LEU   2  43.021  11.197   7.693
   19   HD12  LEU   2          HD12      LEU   2  42.730  12.767   8.480
   20   HD13  LEU   2          HD13      LEU   2  41.435  11.546   8.422
   21   HD21  LEU   2          HD21      LEU   2  44.549  12.534  10.386
   22   HD22  LEU   2          HD22      LEU   2  45.025  11.364   9.132
   23   HD23  LEU   2          HD23      LEU   2  44.902  10.846  10.827
   24    H    ARG   3           HN       ARG   3  40.133  10.768  12.237
   25    HA   ARG   3           HA       ARG   3  39.661  11.342  15.119
   26    HB2  ARG   3           HB2      ARG   3  38.195  12.838  12.904
   27    HB3  ARG   3           HB1      ARG   3  37.926  12.996  14.658
   28    HG2  ARG   3           HG2      ARG   3  40.379  13.689  14.851
   29    HG3  ARG   3           HG1      ARG   3  40.401  13.790  13.073
   30    HD2  ARG   3           HD2      ARG   3  38.471  15.306  14.888
   31    HD3  ARG   3           HD1      ARG   3  39.934  15.996  14.149
   32    HE   ARG   3           HE       ARG   3  38.851  15.929  12.003
   33   HH11  ARG   3          HH11      ARG   3  36.615  16.225  14.344
   34   HH12  ARG   3          HH12      ARG   3  35.310  15.443  13.516
   35   HH21  ARG   3          HH21      ARG   3  37.325  14.175  10.994
   36   HH22  ARG   3          HH22      ARG   3  35.713  14.282  11.618
   37    H    ARG   4           HN       ARG   4  39.093   9.793  12.174
   38    HA   ARG   4           HA       ARG   4  37.206   7.953  13.382
   39    HB2  ARG   4           HB2      ARG   4  35.812  10.050  12.683
   40    HB3  ARG   4           HB1      ARG   4  36.094   9.509  11.015
   41    HG2  ARG   4           HG2      ARG   4  35.037   7.348  11.493
   42    HG3  ARG   4           HG1      ARG   4  34.867   7.774  13.212
   43    HD2  ARG   4           HD2      ARG   4  32.756   8.108  11.880
   44    HD3  ARG   4           HD1      ARG   4  33.342   9.593  12.667
   45    HE   ARG   4           HE       ARG   4  34.471   9.533  10.070
   46   HH11  ARG   4          HH11      ARG   4  31.478   8.425  10.037
   47   HH12  ARG   4          HH12      ARG   4  30.681   9.849   9.451
   48   HH21  ARG   4          HH21      ARG   4  33.413  11.918   9.986
   49   HH22  ARG   4          HH22      ARG   4  31.778  11.826   9.422
   50    H    ILE   5           HN       ILE   5  39.719   8.662  11.510
   51    HA   ILE   5           HA       ILE   5  40.840   7.566   9.804
   52    HB   ILE   5           HB       ILE   5  39.049   5.147  10.292
   53   HG12  ILE   5          HG12      ILE   5  41.357   6.165  12.012
   54   HG13  ILE   5          HG11      ILE   5  39.656   6.030  12.507
   55   HG21  ILE   5          HG21      ILE   5  42.058   5.287   9.843
   56   HG22  ILE   5          HG22      ILE   5  40.905   5.249   8.488
   57   HG23  ILE   5          HG23      ILE   5  40.971   3.892   9.637
   58   HD11  ILE   5           HD1      ILE   5  39.871   3.512  11.900
   59   HD12  ILE   5           HD2      ILE   5  40.676   4.072  13.385
   60   HD13  ILE   5           HD3      ILE   5  41.629   3.801  11.907
   61    H    GLY   6           HN       GLY   6  38.915   9.234   8.854
   62    HA2  GLY   6           HA1      GLY   6  38.521   8.411   6.221
   63    HA3  GLY   6           HA2      GLY   6  37.058   7.889   7.078
   64    H    LYS   7           HN       LYS   7  39.093  10.781   7.595
   65    HA   LYS   7           HA       LYS   7  36.718  12.476   7.674
   66    HB2  LYS   7           HB2      LYS   7  38.795  12.868   9.033
   67    HB3  LYS   7           HB1      LYS   7  39.646  13.290   7.527
   68    HG2  LYS   7           HG2      LYS   7  38.079  15.127   7.109
   69    HG3  LYS   7           HG1      LYS   7  37.120  14.669   8.537
   70    HD2  LYS   7           HD2      LYS   7  39.132  15.075   9.973
   71    HD3  LYS   7           HD1      LYS   7  40.013  15.635   8.531
   72    HE2  LYS   7           HE2      LYS   7  37.438  16.854   9.624
   73    HE3  LYS   7           HE1      LYS   7  39.068  17.547   9.797
   74    HZ1  LYS   7           HZ1      LYS   7  37.282  17.683   7.585
   75    HZ2  LYS   7           HZ2      LYS   7  38.764  17.002   7.109
   76    HZ3  LYS   7           HZ3      LYS   7  38.727  18.530   7.852
   77    H    GLY   8           HN       GLY   8  39.683  12.967   5.724
   78    HA2  GLY   8           HA1      GLY   8  38.344  12.868   3.189
   79    HA3  GLY   8           HA2      GLY   8  38.425  14.549   3.753
   80    H    VAL   9           HN       VAL   9  39.686  13.481   1.407
   81    HA   VAL   9           HA       VAL   9  42.506  13.037   1.995
   82    HB   VAL   9           HB       VAL   9  41.111  13.788  -0.616
   83   HG11  VAL   9          HG11      VAL   9  43.950  12.897   0.044
   84   HG12  VAL   9          HG12      VAL   9  43.439  14.368  -0.820
   85   HG13  VAL   9          HG13      VAL   9  43.255  12.775  -1.591
   86   HG21  VAL   9          HG21      VAL   9  42.049  11.124   0.543
   87   HG22  VAL   9          HG22      VAL   9  41.413  11.355  -1.103
   88   HG23  VAL   9          HG23      VAL   9  40.360  11.632   0.305
   89    H    LYS  10           HN       LYS  10  41.378  15.539  -0.269
   90    HA   LYS  10           HA       LYS  10  42.268  17.756   1.381
   91    HB2  LYS  10           HB2      LYS  10  44.459  16.654   0.705
   92    HB3  LYS  10           HB1      LYS  10  44.057  17.067  -0.979
   93    HG2  LYS  10           HG2      LYS  10  43.885  19.464  -0.343
   94    HG3  LYS  10           HG1      LYS  10  44.325  19.044   1.330
   95    HD2  LYS  10           HD2      LYS  10  46.486  18.138   0.550
   96    HD3  LYS  10           HD1      LYS  10  46.049  18.524  -1.132
   97    HE2  LYS  10           HE2      LYS  10  47.446  20.326  -0.344
   98    HE3  LYS  10           HE1      LYS  10  45.780  20.948  -0.396
   99    HZ1  LYS  10           HZ1      LYS  10  45.565  20.621   1.941
  100    HZ2  LYS  10           HZ2      LYS  10  47.013  21.470   1.682
  101    HZ3  LYS  10           HZ3      LYS  10  47.051  19.811   2.042
  102    H    ILE  11           HN       ILE  11  41.191  16.324  -1.598
  103    HA   ILE  11           HA       ILE  11  39.934  18.938  -2.367
  104    HB   ILE  11           HB       ILE  11  41.247  17.101  -4.415
  105   HG12  ILE  11          HG12      ILE  11  42.336  19.652  -3.136
  106   HG13  ILE  11          HG11      ILE  11  43.000  18.014  -2.934
  107   HG21  ILE  11          HG21      ILE  11  40.839  18.899  -5.947
  108   HG22  ILE  11          HG22      ILE  11  40.461  20.037  -4.631
  109   HG23  ILE  11          HG23      ILE  11  39.332  18.718  -5.021
  110   HD11  ILE  11           HD1      ILE  11  44.364  18.981  -4.619
  111   HD12  ILE  11           HD2      ILE  11  42.978  19.754  -5.423
  112   HD13  ILE  11           HD3      ILE  11  43.202  17.990  -5.532
  113    H    ILE  12           HN       ILE  12  40.222  15.428  -3.010
  114    HA   ILE  12           HA       ILE  12  37.515  15.289  -4.127
  115    HB   ILE  12           HB       ILE  12  39.409  13.126  -3.154
  116   HG12  ILE  12          HG12      ILE  12  38.903  13.842  -6.077
  117   HG13  ILE  12          HG11      ILE  12  40.107  14.745  -5.133
  118   HG21  ILE  12          HG21      ILE  12  36.790  13.065  -4.705
  119   HG22  ILE  12          HG22      ILE  12  37.259  12.111  -3.280
  120   HG23  ILE  12          HG23      ILE  12  37.965  11.743  -4.864
  121   HD11  ILE  12           HD1      ILE  12  41.305  12.987  -6.231
  122   HD12  ILE  12           HD2      ILE  12  40.101  11.767  -5.773
  123   HD13  ILE  12           HD3      ILE  12  41.159  12.481  -4.535
  124    H    GLY  13           HN       GLY  13  38.571  12.933  -1.709
  125    HA2  GLY  13           HA1      GLY  13  36.109  13.002  -0.267
  126    HA3  GLY  13           HA2      GLY  13  37.653  12.360   0.340
  127    H    GLY  14           HN       GLY  14  38.535  15.154  -0.692
  128    HA2  GLY  14           HA1      GLY  14  38.519  16.459   1.946
  129    HA3  GLY  14           HA2      GLY  14  39.324  17.031   0.467
  130    H    ALA  15           HN       ALA  15  37.267  17.121  -1.387
  131    HA   ALA  15           HA       ALA  15  35.702  19.425  -0.289
  132    HB1  ALA  15           HB1      ALA  15  36.726  19.535  -2.572
  133    HB2  ALA  15           HB2      ALA  15  34.961  19.751  -2.580
  134    HB3  ALA  15           HB3      ALA  15  35.665  18.195  -3.074
  135    H    ALA  16           HN       ALA  16  35.393  16.673   0.670
  136    HA   ALA  16           HA       ALA  16  33.614  15.420   1.436
  137    HB1  ALA  16           HB1      ALA  16  31.415  16.213   1.332
  138    HB2  ALA  16           HB2      ALA  16  31.633  16.933  -0.280
  139    HB3  ALA  16           HB3      ALA  16  32.351  17.713   1.149
  140    H    LEU  17           HN       LEU  17  35.261  14.694  -0.770
  141    HA   LEU  17           HA       LEU  17  35.272  13.111  -2.474
  142    HB2  LEU  17           HB2      LEU  17  33.617  12.099  -0.563
  143    HB3  LEU  17           HB1      LEU  17  32.462  12.181  -1.907
  144    HG   LEU  17           HG       LEU  17  35.189  10.798  -2.007
  145   HD11  LEU  17          HD11      LEU  17  33.872   8.713  -2.003
  146   HD12  LEU  17          HD12      LEU  17  32.366   9.650  -1.864
  147   HD13  LEU  17          HD13      LEU  17  33.544   9.656  -0.530
  148   HD21  LEU  17          HD21      LEU  17  32.860  10.912  -3.980
  149   HD22  LEU  17          HD22      LEU  17  34.289   9.867  -4.150
  150   HD23  LEU  17          HD23      LEU  17  34.470  11.636  -4.208
  151    H    ASP  18           HN       ASP  18  34.473  15.750  -3.113
  152    HA   ASP  18           HA       ASP  18  33.377  16.970  -4.762
  153    HB2  ASP  18           HB2      ASP  18  34.876  15.510  -6.113
  154    HB3  ASP  18           HB1      ASP  18  33.556  14.324  -6.255
  155    H    HIS  19           HN       HIS  19  31.514  16.596  -3.041
  156    HA   HIS  19           HA       HIS  19  29.273  16.082  -2.626
  157    HB2  HIS  19           HB2      HIS  19  27.762  16.922  -4.376
  158    HB3  HIS  19           HB1      HIS  19  29.145  18.018  -4.152
  159    HD1  HIS  19           HD1      HIS  19  27.612  15.564  -6.578
  160    HD2  HIS  19           HD2      HIS  19  30.947  18.116  -6.351
  161    HE1  HIS  19           HE1      HIS  19  28.659  15.658  -8.907
  162    H    LEU  20           HN       LEU  20  30.501  13.713  -2.921
  163    HA   LEU  20           HA       LEU  20  30.177  11.497  -3.543
  164    HB2  LEU  20           HB2      LEU  20  27.353  12.616  -3.579
  165    HB3  LEU  20           HB1      LEU  20  27.677  10.897  -3.904
  166    HG   LEU  20           HG       LEU  20  28.768  10.646  -1.726
  167   HD11  LEU  20          HD11      LEU  20  28.347  13.656  -1.585
  168   HD12  LEU  20          HD12      LEU  20  29.844  12.727  -1.326
  169   HD13  LEU  20          HD13      LEU  20  28.548  12.679  -0.110
  170   HD21  LEU  20          HD21      LEU  20  26.253  10.487  -1.937
  171   HD22  LEU  20          HD22      LEU  20  26.151  12.178  -1.392
  172   HD23  LEU  20          HD23      LEU  20  26.810  10.930  -0.307
  Start of MODEL   81
    1    H1   TRP   1           HT1      TRP   1  43.125   6.390  15.189
    2    H2   TRP   1           HT2      TRP   1  42.300   6.384  13.702
    3    H3   TRP   1           HT3      TRP   1  41.574   7.064  15.080
    4    HA   TRP   1           HA       TRP   1  42.298   8.836  13.773
    5    HB2  TRP   1           HB2      TRP   1  44.330   8.319  15.980
    6    HB3  TRP   1           HB1      TRP   1  43.927   9.900  15.268
    7    HD1  TRP   1           HD1      TRP   1  42.145   6.999  17.123
    8    HE1  TRP   1           HE1      TRP   1  40.228   7.983  18.579
    9    HE3  TRP   1           HE3      TRP   1  42.539  11.919  15.760
   10    HZ2  TRP   1           HZ2      TRP   1  39.050  10.566  19.063
   11    HZ3  TRP   1           HZ3      TRP   1  41.008  13.625  16.732
   12    HH2  TRP   1           HH2      TRP   1  39.265  12.953  18.380
   13    H    LEU   2           HN       LEU   2  42.937   7.820  11.727
   14    HA   LEU   2           HA       LEU   2  45.597   6.847  11.294
   15    HB2  LEU   2           HB2      LEU   2  43.463   8.015   9.486
   16    HB3  LEU   2           HB1      LEU   2  45.048   7.549   8.839
   17    HG   LEU   2           HG       LEU   2  43.224   5.782   8.664
   18   HD11  LEU   2          HD11      LEU   2  44.708   3.984   8.989
   19   HD12  LEU   2          HD12      LEU   2  45.469   4.716  10.416
   20   HD13  LEU   2          HD13      LEU   2  45.816   5.358   8.796
   21   HD21  LEU   2          HD21      LEU   2  42.510   4.583  10.630
   22   HD22  LEU   2          HD22      LEU   2  42.259   6.315  10.952
   23   HD23  LEU   2          HD23      LEU   2  43.651   5.470  11.668
   24    H    ARG   3           HN       ARG   3  44.508   9.690   9.533
   25    HA   ARG   3           HA       ARG   3  46.706  11.344  10.724
   26    HB2  ARG   3           HB2      ARG   3  46.285  11.097   7.719
   27    HB3  ARG   3           HB1      ARG   3  47.606  11.926   8.580
   28    HG2  ARG   3           HG2      ARG   3  48.256   9.678   9.563
   29    HG3  ARG   3           HG1      ARG   3  47.072   8.929   8.465
   30    HD2  ARG   3           HD2      ARG   3  48.258  10.010   6.530
   31    HD3  ARG   3           HD1      ARG   3  49.495  10.598   7.667
   32    HE   ARG   3           HE       ARG   3  49.382   7.855   8.132
   33   HH11  ARG   3          HH11      ARG   3  51.513   9.656   6.650
   34   HH12  ARG   3          HH12      ARG   3  51.791   8.664   5.257
   35   HH21  ARG   3          HH21      ARG   3  49.008   6.666   5.795
   36   HH22  ARG   3          HH22      ARG   3  50.374   6.971   4.774
   37    H    ARG   4           HN       ARG   4  43.598  10.872   9.405
   38    HA   ARG   4           HA       ARG   4  42.854  13.663  10.020
   39    HB2  ARG   4           HB2      ARG   4  42.645  12.491   7.216
   40    HB3  ARG   4           HB1      ARG   4  41.687  13.886   7.765
   41    HG2  ARG   4           HG2      ARG   4  43.895  15.008   8.402
   42    HG3  ARG   4           HG1      ARG   4  44.719  13.682   7.547
   43    HD2  ARG   4           HD2      ARG   4  43.512  14.241   5.472
   44    HD3  ARG   4           HD1      ARG   4  42.636  15.539   6.317
   45    HE   ARG   4           HE       ARG   4  44.537  16.879   5.974
   46   HH11  ARG   4          HH11      ARG   4  45.382  14.350   4.216
   47   HH12  ARG   4          HH12      ARG   4  47.050  14.264   4.673
   48   HH21  ARG   4          HH21      ARG   4  46.702  16.432   7.357
   49   HH22  ARG   4          HH22      ARG   4  47.797  15.442   6.453
   50    H    ILE   5           HN       ILE   5  42.410  10.648  10.651
   51    HA   ILE   5           HA       ILE   5  40.617   9.329  11.284
   52    HB   ILE   5           HB       ILE   5  38.857  11.817  11.253
   53   HG12  ILE   5          HG12      ILE   5  40.968  11.024  13.314
   54   HG13  ILE   5          HG11      ILE   5  40.992  12.477  12.290
   55   HG21  ILE   5          HG21      ILE   5  38.025   9.422  11.842
   56   HG22  ILE   5          HG22      ILE   5  37.675  10.719  13.006
   57   HG23  ILE   5          HG23      ILE   5  39.009   9.581  13.316
   58   HD11  ILE   5           HD1      ILE   5  39.090  11.804  14.561
   59   HD12  ILE   5           HD2      ILE   5  38.696  13.049  13.351
   60   HD13  ILE   5           HD3      ILE   5  40.136  13.230  14.380
   61    H    GLY   6           HN       GLY   6  41.151   9.384   8.564
   62    HA2  GLY   6           HA1      GLY   6  40.187   9.083   6.465
   63    HA3  GLY   6           HA2      GLY   6  39.027   8.110   7.387
   64    H    LYS   7           HN       LYS   7  39.287  11.549   7.965
   65    HA   LYS   7           HA       LYS   7  36.489  11.929   7.345
   66    HB2  LYS   7           HB2      LYS   7  37.893  13.245   9.021
   67    HB3  LYS   7           HB1      LYS   7  38.600  14.099   7.628
   68    HG2  LYS   7           HG2      LYS   7  36.381  14.874   6.928
   69    HG3  LYS   7           HG1      LYS   7  35.613  13.941   8.235
   70    HD2  LYS   7           HD2      LYS   7  36.947  15.278   9.898
   71    HD3  LYS   7           HD1      LYS   7  37.543  16.280   8.553
   72    HE2  LYS   7           HE2      LYS   7  34.663  15.953   9.486
   73    HE3  LYS   7           HE1      LYS   7  35.649  17.435   9.505
   74    HZ1  LYS   7           HZ1      LYS   7  34.609  17.794   7.557
   75    HZ2  LYS   7           HZ2      LYS   7  34.251  16.153   7.298
   76    HZ3  LYS   7           HZ3      LYS   7  35.795  16.756   6.930
   77    H    GLY   8           HN       GLY   8  39.536  12.545   5.620
   78    HA2  GLY   8           HA1      GLY   8  38.441  12.354   3.051
   79    HA3  GLY   8           HA2      GLY   8  38.311  14.069   3.489
   80    H    VAL   9           HN       VAL   9  39.807  13.330   1.320
   81    HA   VAL   9           HA       VAL   9  42.606  12.962   2.045
   82    HB   VAL   9           HB       VAL   9  41.340  13.910  -0.568
   83   HG11  VAL   9          HG11      VAL   9  43.579  13.082  -1.493
   84   HG12  VAL   9          HG12      VAL   9  44.163  13.052   0.189
   85   HG13  VAL   9          HG13      VAL   9  43.652  14.589  -0.550
   86   HG21  VAL   9          HG21      VAL   9  40.662  11.623   0.191
   87   HG22  VAL   9          HG22      VAL   9  42.382  11.174   0.295
   88   HG23  VAL   9          HG23      VAL   9  41.661  11.581  -1.281
   89    H    LYS  10           HN       LYS  10  41.447  15.624  -0.017
   90    HA   LYS  10           HA       LYS  10  42.075  17.718   1.867
   91    HB2  LYS  10           HB2      LYS  10  44.392  16.824   1.368
   92    HB3  LYS  10           HB1      LYS  10  44.146  17.318  -0.325
   93    HG2  LYS  10           HG2      LYS  10  43.737  19.651   0.420
   94    HG3  LYS  10           HG1      LYS  10  44.007  19.155   2.108
   95    HD2  LYS  10           HD2      LYS  10  46.307  18.377   1.459
   96    HD3  LYS  10           HD1      LYS  10  46.028  19.027  -0.174
   97    HE2  LYS  10           HE2      LYS  10  45.687  21.282   0.760
   98    HE3  LYS  10           HE1      LYS  10  45.904  20.648   2.409
   99    HZ1  LYS  10           HZ1      LYS  10  48.041  21.166   2.069
  100    HZ2  LYS  10           HZ2      LYS  10  47.877  21.247   0.379
  101    HZ3  LYS  10           HZ3      LYS  10  48.108  19.747   1.142
  102    H    ILE  11           HN       ILE  11  41.523  16.531  -1.386
  103    HA   ILE  11           HA       ILE  11  40.183  19.144  -2.054
  104    HB   ILE  11           HB       ILE  11  41.747  17.474  -4.068
  105   HG12  ILE  11          HG12      ILE  11  43.205  18.612  -2.246
  106   HG13  ILE  11          HG11      ILE  11  43.592  18.964  -3.938
  107   HG21  ILE  11          HG21      ILE  11  40.015  18.750  -5.116
  108   HG22  ILE  11          HG22      ILE  11  41.530  19.641  -5.395
  109   HG23  ILE  11          HG23      ILE  11  40.388  20.195  -4.149
  110   HD11  ILE  11           HD1      ILE  11  41.805  20.768  -2.251
  111   HD12  ILE  11           HD2      ILE  11  42.542  21.129  -3.827
  112   HD13  ILE  11           HD3      ILE  11  43.562  20.982  -2.379
  113    H    ILE  12           HN       ILE  12  40.627  15.697  -2.922
  114    HA   ILE  12           HA       ILE  12  38.020  15.615  -4.274
  115    HB   ILE  12           HB       ILE  12  39.883  13.384  -3.386
  116   HG12  ILE  12          HG12      ILE  12  39.611  14.703  -6.132
  117   HG13  ILE  12          HG11      ILE  12  40.891  15.089  -4.960
  118   HG21  ILE  12          HG21      ILE  12  37.535  13.468  -5.343
  119   HG22  ILE  12          HG22      ILE  12  37.651  12.510  -3.849
  120   HG23  ILE  12          HG23      ILE  12  38.677  12.109  -5.239
  121   HD11  ILE  12           HD1      ILE  12  41.993  13.481  -6.252
  122   HD12  ILE  12           HD2      ILE  12  40.502  12.586  -6.612
  123   HD13  ILE  12           HD3      ILE  12  41.273  12.425  -5.015
  124    H    GLY  13           HN       GLY  13  38.936  13.030  -2.043
  125    HA2  GLY  13           HA1      GLY  13  36.363  12.937  -0.808
  126    HA3  GLY  13           HA2      GLY  13  37.859  12.228  -0.152
  127    H    GLY  14           HN       GLY  14  38.778  15.130  -0.805
  128    HA2  GLY  14           HA1      GLY  14  38.563  16.137   1.950
  129    HA3  GLY  14           HA2      GLY  14  39.468  16.866   0.604
  130    H    ALA  15           HN       ALA  15  37.542  17.143  -1.382
  131    HA   ALA  15           HA       ALA  15  35.894  19.324  -0.161
  132    HB1  ALA  15           HB1      ALA  15  37.029  19.658  -2.363
  133    HB2  ALA  15           HB2      ALA  15  35.263  19.849  -2.452
  134    HB3  ALA  15           HB3      ALA  15  36.024  18.354  -3.043
  135    H    ALA  16           HN       ALA  16  35.544  16.508   0.546
  136    HA   ALA  16           HA       ALA  16  33.743  15.178   1.085
  137    HB1  ALA  16           HB1      ALA  16  31.849  16.851  -0.579
  138    HB2  ALA  16           HB2      ALA  16  32.483  17.485   0.957
  139    HB3  ALA  16           HB3      ALA  16  31.545  15.973   0.938
  140    H    LEU  17           HN       LEU  17  35.513  14.704  -1.111
  141    HA   LEU  17           HA       LEU  17  35.620  13.384  -3.022
  142    HB2  LEU  17           HB2      LEU  17  34.159  12.000  -1.227
  143    HB3  LEU  17           HB1      LEU  17  32.903  12.178  -2.467
  144    HG   LEU  17           HG       LEU  17  35.699  11.041  -2.970
  145   HD11  LEU  17          HD11      LEU  17  34.401   9.553  -1.518
  146   HD12  LEU  17          HD12      LEU  17  34.484   8.865  -3.157
  147   HD13  LEU  17          HD13      LEU  17  32.997   9.674  -2.606
  148   HD21  LEU  17          HD21      LEU  17  34.738  12.019  -4.989
  149   HD22  LEU  17          HD22      LEU  17  33.174  11.229  -4.675
  150   HD23  LEU  17          HD23      LEU  17  34.597  10.251  -5.101
  151    H    ASP  18           HN       ASP  18  34.883  15.889  -3.617
  152    HA   ASP  18           HA       ASP  18  33.817  17.185  -5.213
  153    HB2  ASP  18           HB2      ASP  18  34.803  15.532  -6.745
  154    HB3  ASP  18           HB1      ASP  18  33.381  14.480  -6.544
  155    H    HIS  19           HN       HIS  19  31.748  14.334  -5.750
  156    HA   HIS  19           HA       HIS  19  29.568  15.378  -4.119
  157    HB2  HIS  19           HB2      HIS  19  29.486  16.927  -6.084
  158    HB3  HIS  19           HB1      HIS  19  29.249  15.517  -7.144
  159    HD1  HIS  19           HD1      HIS  19  27.692  15.826  -3.687
  160    HD2  HIS  19           HD2      HIS  19  26.537  16.101  -7.722
  161    HE1  HIS  19           HE1      HIS  19  25.138  15.884  -3.745
  162    H    LEU  20           HN       LEU  20  30.901  12.944  -4.139
  163    HA   LEU  20           HA       LEU  20  28.655  11.143  -4.534
  164    HB2  LEU  20           HB2      LEU  20  29.314  11.168  -6.854
  165    HB3  LEU  20           HB1      LEU  20  31.031  10.990  -6.430
  166    HG   LEU  20           HG       LEU  20  30.683   8.719  -5.654
  167   HD11  LEU  20          HD11      LEU  20  27.735   9.412  -5.949
  168   HD12  LEU  20          HD12      LEU  20  28.589   8.791  -4.515
  169   HD13  LEU  20          HD13      LEU  20  28.299   7.724  -5.907
  170   HD21  LEU  20          HD21      LEU  20  29.122   9.190  -8.234
  171   HD22  LEU  20          HD22      LEU  20  29.851   7.647  -7.724
  172   HD23  LEU  20          HD23      LEU  20  30.891   9.041  -8.103
  Start of MODEL   82
    1    H1   TRP   1           HT1      TRP   1  39.204   2.734  14.276
    2    H2   TRP   1           HT2      TRP   1  39.682   1.105  14.356
    3    H3   TRP   1           HT3      TRP   1  38.045   1.505  14.131
    4    HA   TRP   1           HA       TRP   1  39.981   2.500  12.203
    5    HB2  TRP   1           HB2      TRP   1  39.718   0.339  10.928
    6    HB3  TRP   1           HB1      TRP   1  40.704   0.202  12.403
    7    HD1  TRP   1           HD1      TRP   1  39.496  -0.890  14.571
    8    HE1  TRP   1           HE1      TRP   1  37.593  -2.652  14.768
    9    HE3  TRP   1           HE3      TRP   1  37.586  -0.548   9.833
   10    HZ2  TRP   1           HZ2      TRP   1  35.536  -3.743  13.075
   11    HZ3  TRP   1           HZ3      TRP   1  35.653  -1.958   9.146
   12    HH2  TRP   1           HH2      TRP   1  34.627  -3.553  10.761
   13    H    LEU   2           HN       LEU   2  38.655   3.960  11.304
   14    HA   LEU   2           HA       LEU   2  35.799   3.642  11.138
   15    HB2  LEU   2           HB2      LEU   2  37.816   5.469   9.798
   16    HB3  LEU   2           HB1      LEU   2  36.094   5.530   9.358
   17    HG   LEU   2           HG       LEU   2  35.465   6.036  11.658
   18   HD11  LEU   2          HD11      LEU   2  38.417   5.537  12.210
   19   HD12  LEU   2          HD12      LEU   2  37.004   4.765  12.970
   20   HD13  LEU   2          HD13      LEU   2  37.390   6.463  13.331
   21   HD21  LEU   2          HD21      LEU   2  36.543   8.234  11.895
   22   HD22  LEU   2          HD22      LEU   2  36.223   7.902  10.175
   23   HD23  LEU   2          HD23      LEU   2  37.870   7.720  10.825
   24    H    ARG   3           HN       ARG   3  37.644   4.272   8.207
   25    HA   ARG   3           HA       ARG   3  36.815   1.671   7.007
   26    HB2  ARG   3           HB2      ARG   3  34.959   3.413   6.666
   27    HB3  ARG   3           HB1      ARG   3  36.122   4.315   5.667
   28    HG2  ARG   3           HG2      ARG   3  36.365   2.408   4.151
   29    HG3  ARG   3           HG1      ARG   3  35.323   1.409   5.191
   30    HD2  ARG   3           HD2      ARG   3  33.479   3.112   4.835
   31    HD3  ARG   3           HD1      ARG   3  34.524   3.895   3.625
   32    HE   ARG   3           HE       ARG   3  32.994   1.479   3.212
   33   HH11  ARG   3          HH11      ARG   3  34.537   3.643   1.421
   34   HH12  ARG   3          HH12      ARG   3  35.437   2.550   0.423
   35   HH21  ARG   3          HH21      ARG   3  34.785  -0.216   2.409
   36   HH22  ARG   3          HH22      ARG   3  35.577   0.364   0.983
   37    H    ARG   4           HN       ARG   4  38.889   4.291   7.454
   38    HA   ARG   4           HA       ARG   4  40.916   3.106   5.734
   39    HB2  ARG   4           HB2      ARG   4  39.397   4.542   4.179
   40    HB3  ARG   4           HB1      ARG   4  40.102   5.947   5.008
   41    HG2  ARG   4           HG2      ARG   4  42.355   5.278   4.329
   42    HG3  ARG   4           HG1      ARG   4  41.735   3.763   3.631
   43    HD2  ARG   4           HD2      ARG   4  40.486   4.975   1.943
   44    HD3  ARG   4           HD1      ARG   4  40.866   6.533   2.713
   45    HE   ARG   4           HE       ARG   4  42.980   6.461   1.657
   46   HH11  ARG   4          HH11      ARG   4  41.641   4.652  -0.392
   47   HH12  ARG   4          HH12      ARG   4  42.766   3.338  -0.469
   48   HH21  ARG   4          HH21      ARG   4  44.385   4.205   2.474
   49   HH22  ARG   4          HH22      ARG   4  44.320   3.084   1.154
   50    H    ILE   5           HN       ILE   5  39.902   4.575   8.434
   51    HA   ILE   5           HA       ILE   5  40.987   5.627  10.187
   52    HB   ILE   5           HB       ILE   5  43.621   5.066   8.757
   53   HG12  ILE   5          HG12      ILE   5  41.953   3.194  10.504
   54   HG13  ILE   5          HG11      ILE   5  42.222   3.010   8.756
   55   HG21  ILE   5          HG21      ILE   5  42.949   5.009  11.728
   56   HG22  ILE   5          HG22      ILE   5  43.477   6.492  10.899
   57   HG23  ILE   5          HG23      ILE   5  44.554   5.079  10.964
   58   HD11  ILE   5           HD1      ILE   5  44.230   2.742  11.017
   59   HD12  ILE   5           HD2      ILE   5  44.759   3.037   9.343
   60   HD13  ILE   5           HD3      ILE   5  43.833   1.570   9.740
   61    H    GLY   6           HN       GLY   6  40.220   7.692   9.833
   62    HA2  GLY   6           HA1      GLY   6  40.528   9.974   9.553
   63    HA3  GLY   6           HA2      GLY   6  42.237   9.664   9.193
   64    H    LYS   7           HN       LYS   7  38.974   9.276   7.750
   65    HA   LYS   7           HA       LYS   7  39.930   9.146   5.045
   66    HB2  LYS   7           HB2      LYS   7  37.586   9.629   4.430
   67    HB3  LYS   7           HB1      LYS   7  37.681   8.392   5.707
   68    HG2  LYS   7           HG2      LYS   7  37.400  10.328   7.390
   69    HG3  LYS   7           HG1      LYS   7  36.947  11.332   5.992
   70    HD2  LYS   7           HD2      LYS   7  35.586   8.721   6.793
   71    HD3  LYS   7           HD1      LYS   7  34.956  10.349   7.133
   72    HE2  LYS   7           HE2      LYS   7  33.820   9.740   5.152
   73    HE3  LYS   7           HE1      LYS   7  35.172  10.722   4.542
   74    HZ1  LYS   7           HZ1      LYS   7  36.106   8.950   3.572
   75    HZ2  LYS   7           HZ2      LYS   7  34.577   8.222   3.722
   76    HZ3  LYS   7           HZ3      LYS   7  35.785   7.915   4.878
   77    H    GLY   8           HN       GLY   8  38.602  10.969   3.550
   78    HA2  GLY   8           HA1      GLY   8  38.575  13.191   2.861
   79    HA3  GLY   8           HA2      GLY   8  39.053  13.689   4.495
   80    H    VAL   9           HN       VAL   9  40.032  13.193   1.255
   81    HA   VAL   9           HA       VAL   9  42.903  12.982   1.804
   82    HB   VAL   9           HB       VAL   9  41.408  13.681  -0.765
   83   HG11  VAL   9          HG11      VAL   9  43.670  14.490  -0.956
   84   HG12  VAL   9          HG12      VAL   9  43.629  12.919  -1.791
   85   HG13  VAL   9          HG13      VAL   9  44.324  13.040  -0.157
   86   HG21  VAL   9          HG21      VAL   9  42.713  11.070   0.119
   87   HG22  VAL   9          HG22      VAL   9  41.744  11.346  -1.349
   88   HG23  VAL   9          HG23      VAL   9  40.968  11.402   0.252
   89    H    LYS  10           HN       LYS  10  41.420  15.437  -0.316
   90    HA   LYS  10           HA       LYS  10  42.087  17.679   1.382
   91    HB2  LYS  10           HB2      LYS  10  44.395  16.896   0.744
   92    HB3  LYS  10           HB1      LYS  10  43.975  17.209  -0.957
   93    HG2  LYS  10           HG2      LYS  10  43.523  19.580  -0.424
   94    HG3  LYS  10           HG1      LYS  10  43.910  19.275   1.286
   95    HD2  LYS  10           HD2      LYS  10  46.201  18.478   0.530
   96    HD3  LYS  10           HD1      LYS  10  45.789  19.063  -1.101
   97    HE2  LYS  10           HE2      LYS  10  45.849  20.748   1.441
   98    HE3  LYS  10           HE1      LYS  10  47.055  20.783   0.133
   99    HZ1  LYS  10           HZ1      LYS  10  45.711  22.471  -0.535
  100    HZ2  LYS  10           HZ2      LYS  10  44.315  21.822   0.182
  101    HZ3  LYS  10           HZ3      LYS  10  44.886  21.195  -1.290
  102    H    ILE  11           HN       ILE  11  41.272  16.253  -1.704
  103    HA   ILE  11           HA       ILE  11  39.899  18.826  -2.496
  104    HB   ILE  11           HB       ILE  11  41.017  16.767  -4.444
  105   HG12  ILE  11          HG12      ILE  11  42.278  19.346  -3.404
  106   HG13  ILE  11          HG11      ILE  11  42.900  17.696  -3.171
  107   HG21  ILE  11          HG21      ILE  11  39.139  18.413  -5.090
  108   HG22  ILE  11          HG22      ILE  11  40.600  18.449  -6.102
  109   HG23  ILE  11          HG23      ILE  11  40.339  19.707  -4.869
  110   HD11  ILE  11           HD1      ILE  11  44.175  18.539  -4.987
  111   HD12  ILE  11           HD2      ILE  11  42.762  19.324  -5.732
  112   HD13  ILE  11           HD3      ILE  11  42.923  17.550  -5.773
  113    H    ILE  12           HN       ILE  12  39.998  15.276  -3.068
  114    HA   ILE  12           HA       ILE  12  37.202  15.239  -3.916
  115    HB   ILE  12           HB       ILE  12  39.039  12.990  -3.025
  116   HG12  ILE  12          HG12      ILE  12  40.104  14.159  -4.853
  117   HG13  ILE  12          HG11      ILE  12  39.431  12.652  -5.506
  118   HG21  ILE  12          HG21      ILE  12  36.937  11.967  -3.072
  119   HG22  ILE  12          HG22      ILE  12  37.404  11.750  -4.771
  120   HG23  ILE  12          HG23      ILE  12  36.295  13.064  -4.313
  121   HD11  ILE  12           HD1      ILE  12  38.785  14.258  -7.112
  122   HD12  ILE  12           HD2      ILE  12  38.454  15.500  -5.885
  123   HD13  ILE  12           HD3      ILE  12  37.334  14.135  -6.094
  124    H    GLY  13           HN       GLY  13  38.182  12.789  -1.598
  125    HA2  GLY  13           HA1      GLY  13  35.877  13.042   0.018
  126    HA3  GLY  13           HA2      GLY  13  37.422  12.339   0.547
  127    H    GLY  14           HN       GLY  14  38.429  15.060  -0.520
  128    HA2  GLY  14           HA1      GLY  14  38.567  16.377   2.101
  129    HA3  GLY  14           HA2      GLY  14  39.348  16.899   0.591
  130    H    ALA  15           HN       ALA  15  37.234  17.114  -1.193
  131    HA   ALA  15           HA       ALA  15  35.817  19.478  -0.003
  132    HB1  ALA  15           HB1      ALA  15  36.844  19.571  -2.314
  133    HB2  ALA  15           HB2      ALA  15  35.114  19.977  -2.248
  134    HB3  ALA  15           HB3      ALA  15  35.626  18.377  -2.832
  135    H    ALA  16           HN       ALA  16  35.383  16.757   0.901
  136    HA   ALA  16           HA       ALA  16  33.556  15.559   1.642
  137    HB1  ALA  16           HB1      ALA  16  31.393  16.452   1.569
  138    HB2  ALA  16           HB2      ALA  16  31.641  17.213  -0.019
  139    HB3  ALA  16           HB3      ALA  16  32.401  17.910   1.431
  140    H    LEU  17           HN       LEU  17  35.140  14.723  -0.516
  141    HA   LEU  17           HA       LEU  17  35.060  13.118  -2.199
  142    HB2  LEU  17           HB2      LEU  17  33.313  12.150  -0.497
  143    HB3  LEU  17           HB1      LEU  17  32.101  12.698  -1.673
  144    HG   LEU  17           HG       LEU  17  33.681  11.404  -3.423
  145   HD11  LEU  17          HD11      LEU  17  34.761   9.443  -2.471
  146   HD12  LEU  17          HD12      LEU  17  34.178   9.854  -0.841
  147   HD13  LEU  17          HD13      LEU  17  35.398  10.877  -1.634
  148   HD21  LEU  17          HD21      LEU  17  31.317  10.839  -2.936
  149   HD22  LEU  17          HD22      LEU  17  31.823   9.966  -1.470
  150   HD23  LEU  17          HD23      LEU  17  32.307   9.367  -3.076
  151    H    ASP  18           HN       ASP  18  34.978  15.632  -3.086
  152    HA   ASP  18           HA       ASP  18  34.530  16.812  -5.019
  153    HB2  ASP  18           HB2      ASP  18  34.477  14.397  -6.006
  154    HB3  ASP  18           HB1      ASP  18  32.710  14.591  -6.013
  155    H    HIS  19           HN       HIS  19  31.466  14.971  -4.601
  156    HA   HIS  19           HA       HIS  19  30.103  17.341  -3.529
  157    HB2  HIS  19           HB2      HIS  19  28.426  17.383  -5.429
  158    HB3  HIS  19           HB1      HIS  19  30.042  18.003  -5.844
  159    HD1  HIS  19           HD1      HIS  19  31.453  16.702  -7.543
  160    HD2  HIS  19           HD2      HIS  19  27.893  14.728  -6.490
  161    HE1  HIS  19           HE1      HIS  19  31.145  14.763  -9.179
  162    H    LEU  20           HN       LEU  20  30.676  14.332  -3.164
  163    HA   LEU  20           HA       LEU  20  29.521  12.474  -2.408
  164    HB2  LEU  20           HB2      LEU  20  28.897  13.935  -0.592
  165    HB3  LEU  20           HB1      LEU  20  27.634  14.710  -1.570
  166    HG   LEU  20           HG       LEU  20  26.288  12.692  -1.571
  167   HD11  LEU  20          HD11      LEU  20  27.171  10.680  -0.182
  168   HD12  LEU  20          HD12      LEU  20  28.778  11.424  -0.362
  169   HD13  LEU  20          HD13      LEU  20  27.863  10.918  -1.803
  170   HD21  LEU  20          HD21      LEU  20  25.794  12.498   0.797
  171   HD22  LEU  20          HD22      LEU  20  26.298  14.176   0.484
  172   HD23  LEU  20          HD23      LEU  20  27.436  13.029   1.233
  Start of MODEL   83
    1    H1   TRP   1           HT1      TRP   1  46.047  12.942  16.467
    2    H2   TRP   1           HT2      TRP   1  46.641  12.744  14.888
    3    H3   TRP   1           HT3      TRP   1  47.005  11.597  16.087
    4    HA   TRP   1           HA       TRP   1  45.153  11.196  14.327
    5    HB2  TRP   1           HB2      TRP   1  43.985   9.798  16.128
    6    HB3  TRP   1           HB1      TRP   1  45.730   9.519  15.927
    7    HD1  TRP   1           HD1      TRP   1  43.176  11.025  18.322
    8    HE1  TRP   1           HE1      TRP   1  44.300  11.511  20.615
    9    HE3  TRP   1           HE3      TRP   1  48.045  10.080  17.052
   10    HZ2  TRP   1           HZ2      TRP   1  46.959  11.481  21.719
   11    HZ3  TRP   1           HZ3      TRP   1  49.858  10.313  18.742
   12    HH2  TRP   1           HH2      TRP   1  49.321  11.012  21.072
   13    H    LEU   2           HN       LEU   2  43.526  12.355  13.542
   14    HA   LEU   2           HA       LEU   2  42.108  14.310  15.205
   15    HB2  LEU   2           HB2      LEU   2  41.862  13.347  12.335
   16    HB3  LEU   2           HB1      LEU   2  40.667  14.458  13.044
   17    HG   LEU   2           HG       LEU   2  42.461  16.068  13.584
   18   HD11  LEU   2          HD11      LEU   2  44.754  15.577  12.463
   19   HD12  LEU   2          HD12      LEU   2  44.224  13.877  12.423
   20   HD13  LEU   2          HD13      LEU   2  44.386  14.726  13.980
   21   HD21  LEU   2          HD21      LEU   2  41.311  16.118  11.357
   22   HD22  LEU   2          HD22      LEU   2  42.616  15.106  10.691
   23   HD23  LEU   2          HD23      LEU   2  42.974  16.746  11.281
   24    H    ARG   3           HN       ARG   3  40.711  11.828  13.063
   25    HA   ARG   3           HA       ARG   3  39.131  10.683  15.307
   26    HB2  ARG   3           HB2      ARG   3  37.852  12.684  14.303
   27    HB3  ARG   3           HB1      ARG   3  37.747  11.733  12.806
   28    HG2  ARG   3           HG2      ARG   3  35.741  11.104  13.836
   29    HG3  ARG   3           HG1      ARG   3  36.817   9.828  14.445
   30    HD2  ARG   3           HD2      ARG   3  35.671  10.604  16.375
   31    HD3  ARG   3           HD1      ARG   3  37.243  11.429  16.458
   32    HE   ARG   3           HE       ARG   3  35.364  13.066  15.022
   33   HH11  ARG   3          HH11      ARG   3  33.486  12.590  17.116
   34   HH12  ARG   3          HH12      ARG   3  33.987  13.629  18.408
   35   HH21  ARG   3          HH21      ARG   3  37.178  14.108  17.139
   36   HH22  ARG   3          HH22      ARG   3  36.078  14.487  18.422
   37    H    ARG   4           HN       ARG   4  40.496  10.711  12.138
   38    HA   ARG   4           HA       ARG   4  40.265   7.749  11.994
   39    HB2  ARG   4           HB2      ARG   4  39.233   9.656   9.854
   40    HB3  ARG   4           HB1      ARG   4  39.597   7.940   9.553
   41    HG2  ARG   4           HG2      ARG   4  38.004   7.337  11.413
   42    HG3  ARG   4           HG1      ARG   4  37.561   9.058  11.528
   43    HD2  ARG   4           HD2      ARG   4  36.972   8.980   9.062
   44    HD3  ARG   4           HD1      ARG   4  37.206   7.218   9.126
   45    HE   ARG   4           HE       ARG   4  34.924   8.687  10.208
   46   HH11  ARG   4          HH11      ARG   4  34.978   7.545  12.617
   47   HH12  ARG   4          HH12      ARG   4  34.627   5.858  12.445
   48   HH21  ARG   4          HH21      ARG   4  35.305   5.793   9.044
   49   HH22  ARG   4          HH22      ARG   4  34.811   4.865  10.421
   50    H    ILE   5           HN       ILE   5  42.100  10.373  12.122
   51    HA   ILE   5           HA       ILE   5  44.263  10.860  11.465
   52    HB   ILE   5           HB       ILE   5  44.454   8.022  10.373
   53   HG12  ILE   5          HG12      ILE   5  44.693   9.024  13.248
   54   HG13  ILE   5          HG11      ILE   5  43.466   7.901  12.618
   55   HG21  ILE   5          HG21      ILE   5  46.314   9.772  10.028
   56   HG22  ILE   5          HG22      ILE   5  46.798   8.256  10.821
   57   HG23  ILE   5          HG23      ILE   5  46.542   9.727  11.792
   58   HD11  ILE   5           HD1      ILE   5  45.482   6.410  11.908
   59   HD12  ILE   5           HD2      ILE   5  45.075   6.484  13.639
   60   HD13  ILE   5           HD3      ILE   5  46.441   7.431  13.007
   61    H    GLY   6           HN       GLY   6  43.802  12.373   9.903
   62    HA2  GLY   6           HA1      GLY   6  44.098  13.219   7.750
   63    HA3  GLY   6           HA2      GLY   6  44.477  11.585   7.169
   64    H    LYS   7           HN       LYS   7  41.627  13.127   8.720
   65    HA   LYS   7           HA       LYS   7  39.721  11.578   7.272
   66    HB2  LYS   7           HB2      LYS   7  39.350  12.977   9.374
   67    HB3  LYS   7           HB1      LYS   7  39.278  14.402   8.310
   68    HG2  LYS   7           HG2      LYS   7  37.478  13.138   6.975
   69    HG3  LYS   7           HG1      LYS   7  37.433  11.979   8.325
   70    HD2  LYS   7           HD2      LYS   7  36.927  14.982   8.524
   71    HD3  LYS   7           HD1      LYS   7  35.691  13.706   8.610
   72    HE2  LYS   7           HE2      LYS   7  37.108  12.756  10.588
   73    HE3  LYS   7           HE1      LYS   7  37.882  14.359  10.607
   74    HZ1  LYS   7           HZ1      LYS   7  35.499  15.239  10.629
   75    HZ2  LYS   7           HZ2      LYS   7  36.101  14.559  12.064
   76    HZ3  LYS   7           HZ3      LYS   7  35.043  13.669  11.077
   77    H    GLY   8           HN       GLY   8  39.133  11.590   5.216
   78    HA2  GLY   8           HA1      GLY   8  38.790  12.323   3.052
   79    HA3  GLY   8           HA2      GLY   8  38.608  13.955   3.723
   80    H    VAL   9           HN       VAL   9  40.012  12.671   1.289
   81    HA   VAL   9           HA       VAL   9  42.819  12.996   1.576
   82    HB   VAL   9           HB       VAL   9  42.629  13.616  -1.000
   83   HG11  VAL   9          HG11      VAL   9  41.685  10.985   0.217
   84   HG12  VAL   9          HG12      VAL   9  43.338  11.417  -0.284
   85   HG13  VAL   9          HG13      VAL   9  42.066  11.195  -1.509
   86   HG21  VAL   9          HG21      VAL   9  40.509  13.168  -2.026
   87   HG22  VAL   9          HG22      VAL   9  40.145  14.243  -0.656
   88   HG23  VAL   9          HG23      VAL   9  39.832  12.498  -0.522
   89    H    LYS  10           HN       LYS  10  41.627  15.228  -0.785
   90    HA   LYS  10           HA       LYS  10  41.877  17.595   0.953
   91    HB2  LYS  10           HB2      LYS  10  44.258  16.866   0.440
   92    HB3  LYS  10           HB1      LYS  10  43.909  17.196  -1.273
   93    HG2  LYS  10           HG2      LYS  10  43.312  19.538  -0.693
   94    HG3  LYS  10           HG1      LYS  10  43.696  19.204   1.014
   95    HD2  LYS  10           HD2      LYS  10  46.017  18.745   0.469
   96    HD3  LYS  10           HD1      LYS  10  45.673  18.844  -1.275
   97    HE2  LYS  10           HE2      LYS  10  45.321  21.140   0.702
   98    HE3  LYS  10           HE1      LYS  10  46.714  20.940  -0.389
   99    HZ1  LYS  10           HZ1      LYS  10  43.980  21.750  -0.983
  100    HZ2  LYS  10           HZ2      LYS  10  44.698  20.699  -2.108
  101    HZ3  LYS  10           HZ3      LYS  10  45.433  22.185  -1.741
  102    H    ILE  11           HN       ILE  11  41.247  15.994  -2.074
  103    HA   ILE  11           HA       ILE  11  40.051  18.532  -3.197
  104    HB   ILE  11           HB       ILE  11  40.761  16.019  -4.752
  105   HG12  ILE  11          HG12      ILE  11  42.470  18.497  -4.229
  106   HG13  ILE  11          HG11      ILE  11  42.817  16.844  -3.669
  107   HG21  ILE  11          HG21      ILE  11  39.155  17.827  -5.657
  108   HG22  ILE  11          HG22      ILE  11  40.554  17.429  -6.678
  109   HG23  ILE  11          HG23      ILE  11  40.565  18.911  -5.693
  110   HD11  ILE  11           HD1      ILE  11  42.722  16.179  -6.184
  111   HD12  ILE  11           HD2      ILE  11  44.147  17.084  -5.621
  112   HD13  ILE  11           HD3      ILE  11  42.856  17.926  -6.505
  113    H    ILE  12           HN       ILE  12  39.610  14.968  -3.024
  114    HA   ILE  12           HA       ILE  12  36.745  15.293  -3.758
  115    HB   ILE  12           HB       ILE  12  38.393  12.813  -3.138
  116   HG12  ILE  12          HG12      ILE  12  37.503  13.751  -5.905
  117   HG13  ILE  12          HG11      ILE  12  39.038  14.300  -5.203
  118   HG21  ILE  12          HG21      ILE  12  35.542  13.264  -4.089
  119   HG22  ILE  12          HG22      ILE  12  36.156  12.103  -2.889
  120   HG23  ILE  12          HG23      ILE  12  36.407  11.804  -4.615
  121   HD11  ILE  12           HD1      ILE  12  38.224  11.493  -6.021
  122   HD12  ILE  12           HD2      ILE  12  39.518  11.741  -4.826
  123   HD13  ILE  12           HD3      ILE  12  39.676  12.412  -6.464
  124    H    GLY  13           HN       GLY  13  37.644  12.676  -1.612
  125    HA2  GLY  13           HA1      GLY  13  35.613  13.214   0.284
  126    HA3  GLY  13           HA2      GLY  13  37.083  12.263   0.602
  127    H    GLY  14           HN       GLY  14  38.371  14.835  -0.522
  128    HA2  GLY  14           HA1      GLY  14  38.984  16.032   2.094
  129    HA3  GLY  14           HA2      GLY  14  39.695  16.454   0.522
  130    H    ALA  15           HN       ALA  15  37.533  17.054  -1.073
  131    HA   ALA  15           HA       ALA  15  36.623  19.589   0.243
  132    HB1  ALA  15           HB1      ALA  15  35.901  18.569  -2.526
  133    HB2  ALA  15           HB2      ALA  15  37.413  19.446  -2.183
  134    HB3  ALA  15           HB3      ALA  15  35.843  20.237  -1.914
  135    H    ALA  16           HN       ALA  16  35.834  16.945   1.208
  136    HA   ALA  16           HA       ALA  16  33.920  16.057   2.143
  137    HB1  ALA  16           HB1      ALA  16  33.173  18.576   2.066
  138    HB2  ALA  16           HB2      ALA  16  31.950  17.307   2.314
  139    HB3  ALA  16           HB3      ALA  16  32.150  18.049   0.710
  140    H    LEU  17           HN       LEU  17  35.088  15.002  -0.164
  141    HA   LEU  17           HA       LEU  17  34.557  13.453  -1.810
  142    HB2  LEU  17           HB2      LEU  17  32.767  12.862   0.041
  143    HB3  LEU  17           HB1      LEU  17  31.617  13.598  -1.094
  144    HG   LEU  17           HG       LEU  17  32.809  12.002  -2.878
  145   HD11  LEU  17          HD11      LEU  17  33.487   9.834  -1.829
  146   HD12  LEU  17          HD12      LEU  17  33.356  10.589  -0.224
  147   HD13  LEU  17          HD13      LEU  17  34.580  11.163  -1.380
  148   HD21  LEU  17          HD21      LEU  17  31.177  10.175  -2.252
  149   HD22  LEU  17          HD22      LEU  17  30.452  11.800  -2.310
  150   HD23  LEU  17          HD23      LEU  17  30.845  11.056  -0.742
  151    H    ASP  18           HN       ASP  18  33.521  16.573  -1.733
  152    HA   ASP  18           HA       ASP  18  32.698  18.045  -3.320
  153    HB2  ASP  18           HB2      ASP  18  34.762  17.349  -4.452
  154    HB3  ASP  18           HB1      ASP  18  33.909  15.979  -5.201
  155    H    HIS  19           HN       HIS  19  32.281  15.246  -5.467
  156    HA   HIS  19           HA       HIS  19  29.737  15.945  -6.380
  157    HB2  HIS  19           HB2      HIS  19  30.724  13.101  -5.942
  158    HB3  HIS  19           HB1      HIS  19  29.503  13.643  -7.118
  159    HD1  HIS  19           HD1      HIS  19  30.363  15.287  -9.063
  160    HD2  HIS  19           HD2      HIS  19  33.381  13.460  -6.776
  161    HE1  HIS  19           HE1      HIS  19  32.547  15.507 -10.369
  162    H    LEU  20           HN       LEU  20  30.613  14.764  -3.262
  163    HA   LEU  20           HA       LEU  20  29.334  14.151  -1.429
  164    HB2  LEU  20           HB2      LEU  20  28.389  16.456  -1.999
  165    HB3  LEU  20           HB1      LEU  20  27.066  15.609  -2.830
  166    HG   LEU  20           HG       LEU  20  26.797  14.297  -0.547
  167   HD11  LEU  20          HD11      LEU  20  28.780  15.082   0.622
  168   HD12  LEU  20          HD12      LEU  20  27.364  15.802   1.417
  169   HD13  LEU  20          HD13      LEU  20  28.354  16.782   0.312
  170   HD21  LEU  20          HD21      LEU  20  25.282  16.076   0.300
  171   HD22  LEU  20          HD22      LEU  20  25.123  15.864  -1.460
  172   HD23  LEU  20          HD23      LEU  20  26.042  17.243  -0.808
  Start of MODEL   84
    1    H1   TRP   1           HT1      TRP   1  31.932  -0.104   5.960
    2    H2   TRP   1           HT2      TRP   1  31.226  -0.036   7.504
    3    H3   TRP   1           HT3      TRP   1  32.229  -1.341   7.080
    4    HA   TRP   1           HA       TRP   1  32.959   1.456   7.603
    5    HB2  TRP   1           HB2      TRP   1  34.032  -1.184   8.673
    6    HB3  TRP   1           HB1      TRP   1  34.470   0.450   9.226
    7    HD1  TRP   1           HD1      TRP   1  31.590  -2.073   9.270
    8    HE1  TRP   1           HE1      TRP   1  29.876  -1.404  11.107
    9    HE3  TRP   1           HE3      TRP   1  33.565   2.456  10.608
   10    HZ2  TRP   1           HZ2      TRP   1  29.448   0.809  12.900
   11    HZ3  TRP   1           HZ3      TRP   1  32.488   3.829  12.384
   12    HH2  TRP   1           HH2      TRP   1  30.434   3.011  13.530
   13    H    LEU   2           HN       LEU   2  34.343   2.343   6.228
   14    HA   LEU   2           HA       LEU   2  35.626   0.918   4.132
   15    HB2  LEU   2           HB2      LEU   2  35.284   3.302   3.960
   16    HB3  LEU   2           HB1      LEU   2  36.239   3.598   5.427
   17    HG   LEU   2           HG       LEU   2  38.290   2.923   4.322
   18   HD11  LEU   2          HD11      LEU   2  38.134   2.313   1.800
   19   HD12  LEU   2          HD12      LEU   2  36.412   1.988   2.117
   20   HD13  LEU   2          HD13      LEU   2  37.668   1.060   2.973
   21   HD21  LEU   2          HD21      LEU   2  38.422   4.611   2.553
   22   HD22  LEU   2          HD22      LEU   2  37.411   5.228   3.882
   23   HD23  LEU   2          HD23      LEU   2  36.649   4.622   2.391
   24    H    ARG   3           HN       ARG   3  37.494   2.714   6.532
   25    HA   ARG   3           HA       ARG   3  38.876   0.466   7.669
   26    HB2  ARG   3           HB2      ARG   3  39.780   0.431   5.269
   27    HB3  ARG   3           HB1      ARG   3  40.526   2.007   5.625
   28    HG2  ARG   3           HG2      ARG   3  41.718   0.990   7.560
   29    HG3  ARG   3           HG1      ARG   3  41.001  -0.588   7.158
   30    HD2  ARG   3           HD2      ARG   3  42.056  -0.419   4.875
   31    HD3  ARG   3           HD1      ARG   3  42.881   1.061   5.416
   32    HE   ARG   3           HE       ARG   3  44.365  -0.296   6.662
   33   HH11  ARG   3          HH11      ARG   3  43.017  -2.369   4.607
   34   HH12  ARG   3          HH12      ARG   3  42.946  -3.746   5.655
   35   HH21  ARG   3          HH21      ARG   3  43.641  -1.928   8.526
   36   HH22  ARG   3          HH22      ARG   3  43.298  -3.496   7.874
   37    H    ARG   4           HN       ARG   4  38.320   3.749   6.940
   38    HA   ARG   4           HA       ARG   4  39.457   4.584   9.548
   39    HB2  ARG   4           HB2      ARG   4  40.269   5.889   6.912
   40    HB3  ARG   4           HB1      ARG   4  40.672   6.486   8.541
   41    HG2  ARG   4           HG2      ARG   4  41.768   4.206   8.966
   42    HG3  ARG   4           HG1      ARG   4  41.587   3.898   7.222
   43    HD2  ARG   4           HD2      ARG   4  43.804   4.807   7.571
   44    HD3  ARG   4           HD1      ARG   4  42.822   6.075   6.800
   45    HE   ARG   4           HE       ARG   4  42.617   6.408   9.620
   46   HH11  ARG   4          HH11      ARG   4  43.230   8.851   8.625
   47   HH12  ARG   4          HH12      ARG   4  44.950   9.045   8.708
   48   HH21  ARG   4          HH21      ARG   4  45.580   5.653   9.065
   49   HH22  ARG   4          HH22      ARG   4  46.280   7.235   8.957
   50    H    ILE   5           HN       ILE   5  36.967   4.360   7.503
   51    HA   ILE   5           HA       ILE   5  34.959   5.493   7.305
   52    HB   ILE   5           HB       ILE   5  35.841   7.276   9.615
   53   HG12  ILE   5          HG12      ILE   5  34.592   4.489   9.704
   54   HG13  ILE   5          HG11      ILE   5  36.251   4.896  10.200
   55   HG21  ILE   5          HG21      ILE   5  33.695   7.724   8.257
   56   HG22  ILE   5          HG22      ILE   5  33.493   7.533  10.013
   57   HG23  ILE   5          HG23      ILE   5  33.081   6.191   8.919
   58   HD11  ILE   5           HD1      ILE   5  33.634   5.713  11.506
   59   HD12  ILE   5           HD2      ILE   5  35.142   6.608  11.816
   60   HD13  ILE   5           HD3      ILE   5  35.027   4.883  12.234
   61    H    GLY   6           HN       GLY   6  35.909   6.263   5.267
   62    HA2  GLY   6           HA1      GLY   6  36.305   7.960   3.750
   63    HA3  GLY   6           HA2      GLY   6  35.408   9.012   4.862
   64    H    LYS   7           HN       LYS   7  38.606   7.708   4.037
   65    HA   LYS   7           HA       LYS   7  40.173   9.105   5.920
   66    HB2  LYS   7           HB2      LYS   7  41.987   8.983   4.220
   67    HB3  LYS   7           HB1      LYS   7  41.112   7.441   4.383
   68    HG2  LYS   7           HG2      LYS   7  39.675   8.124   2.422
   69    HG3  LYS   7           HG1      LYS   7  40.727   9.545   2.211
   70    HD2  LYS   7           HD2      LYS   7  42.672   8.119   1.843
   71    HD3  LYS   7           HD1      LYS   7  41.719   6.661   2.213
   72    HE2  LYS   7           HE2      LYS   7  41.860   6.834  -0.196
   73    HE3  LYS   7           HE1      LYS   7  40.201   7.275   0.269
   74    HZ1  LYS   7           HZ1      LYS   7  42.237   9.389   0.083
   75    HZ2  LYS   7           HZ2      LYS   7  40.561   9.473  -0.183
   76    HZ3  LYS   7           HZ3      LYS   7  41.576   8.771  -1.351
   77    H    GLY   8           HN       GLY   8  38.547  10.228   3.005
   78    HA2  GLY   8           HA1      GLY   8  38.378  12.337   2.070
   79    HA3  GLY   8           HA2      GLY   8  38.399  12.907   3.749
   80    H    VAL   9           HN       VAL   9  40.107  12.649   0.760
   81    HA   VAL   9           HA       VAL   9  42.754  13.231   1.758
   82    HB   VAL   9           HB       VAL   9  42.979  14.187  -0.728
   83   HG11  VAL   9          HG11      VAL   9  43.186  11.860  -1.578
   84   HG12  VAL   9          HG12      VAL   9  42.334  11.263  -0.135
   85   HG13  VAL   9          HG13      VAL   9  43.927  12.040   0.031
   86   HG21  VAL   9          HG21      VAL   9  40.389  14.269  -0.882
   87   HG22  VAL   9          HG22      VAL   9  40.459  12.498  -1.026
   88   HG23  VAL   9          HG23      VAL   9  41.256  13.521  -2.244
   89    H    LYS  10           HN       LYS  10  41.615  15.544  -0.572
   90    HA   LYS  10           HA       LYS  10  41.044  17.651   1.379
   91    HB2  LYS  10           HB2      LYS  10  43.611  17.322   1.380
   92    HB3  LYS  10           HB1      LYS  10  43.578  17.994  -0.266
   93    HG2  LYS  10           HG2      LYS  10  42.257  19.973   0.740
   94    HG3  LYS  10           HG1      LYS  10  42.728  19.334   2.332
   95    HD2  LYS  10           HD2      LYS  10  45.106  19.495   1.720
   96    HD3  LYS  10           HD1      LYS  10  44.664  20.071   0.094
   97    HE2  LYS  10           HE2      LYS  10  43.542  22.045   1.107
   98    HE3  LYS  10           HE1      LYS  10  44.016  21.477   2.725
   99    HZ1  LYS  10           HZ1      LYS  10  46.370  21.489   1.794
  100    HZ2  LYS  10           HZ2      LYS  10  45.659  22.999   2.115
  101    HZ3  LYS  10           HZ3      LYS  10  45.755  22.423   0.520
  102    H    ILE  11           HN       ILE  11  41.343  16.346  -1.796
  103    HA   ILE  11           HA       ILE  11  40.048  18.807  -2.984
  104    HB   ILE  11           HB       ILE  11  41.639  16.654  -4.418
  105   HG12  ILE  11          HG12      ILE  11  42.972  18.169  -2.761
  106   HG13  ILE  11          HG11      ILE  11  43.557  18.054  -4.429
  107   HG21  ILE  11          HG21      ILE  11  41.659  18.450  -6.234
  108   HG22  ILE  11          HG22      ILE  11  40.447  19.321  -5.265
  109   HG23  ILE  11          HG23      ILE  11  40.080  17.701  -5.904
  110   HD11  ILE  11           HD1      ILE  11  41.728  20.300  -3.474
  111   HD12  ILE  11           HD2      ILE  11  42.644  20.213  -4.994
  112   HD13  ILE  11           HD3      ILE  11  43.501  20.407  -3.449
  113    H    ILE  12           HN       ILE  12  40.209  15.229  -3.076
  114    HA   ILE  12           HA       ILE  12  37.623  15.173  -4.574
  115    HB   ILE  12           HB       ILE  12  39.491  12.914  -3.746
  116   HG12  ILE  12          HG12      ILE  12  39.257  14.390  -6.411
  117   HG13  ILE  12          HG11      ILE  12  40.583  14.581  -5.244
  118   HG21  ILE  12          HG21      ILE  12  37.274  13.025  -5.853
  119   HG22  ILE  12          HG22      ILE  12  37.138  12.226  -4.272
  120   HG23  ILE  12          HG23      ILE  12  38.285  11.612  -5.475
  121   HD11  ILE  12           HD1      ILE  12  40.792  11.939  -5.486
  122   HD12  ILE  12           HD2      ILE  12  41.499  13.005  -6.723
  123   HD13  ILE  12           HD3      ILE  12  39.935  12.218  -7.022
  124    H    GLY  13           HN       GLY  13  38.488  12.517  -2.447
  125    HA2  GLY  13           HA1      GLY  13  35.976  12.529  -1.101
  126    HA3  GLY  13           HA2      GLY  13  37.457  11.730  -0.521
  127    H    GLY  14           HN       GLY  14  38.488  14.629  -1.104
  128    HA2  GLY  14           HA1      GLY  14  38.310  15.544   1.700
  129    HA3  GLY  14           HA2      GLY  14  39.308  16.230   0.400
  130    H    ALA  15           HN       ALA  15  37.481  16.687  -1.638
  131    HA   ALA  15           HA       ALA  15  36.005  18.992  -0.443
  132    HB1  ALA  15           HB1      ALA  15  35.509  19.609  -2.714
  133    HB2  ALA  15           HB2      ALA  15  35.997  18.011  -3.318
  134    HB3  ALA  15           HB3      ALA  15  37.219  19.126  -2.654
  135    H    ALA  16           HN       ALA  16  35.382  16.216   0.268
  136    HA   ALA  16           HA       ALA  16  33.448  15.086   0.813
  137    HB1  ALA  16           HB1      ALA  16  31.744  16.884  -0.924
  138    HB2  ALA  16           HB2      ALA  16  32.415  17.499   0.604
  139    HB3  ALA  16           HB3      ALA  16  31.342  16.080   0.612
  140    H    LEU  17           HN       LEU  17  35.199  14.387  -1.350
  141    HA   LEU  17           HA       LEU  17  35.190  13.020  -3.244
  142    HB2  LEU  17           HB2      LEU  17  33.806  11.675  -1.501
  143    HB3  LEU  17           HB1      LEU  17  32.386  12.178  -2.440
  144    HG   LEU  17           HG       LEU  17  33.841  11.264  -4.513
  145   HD11  LEU  17          HD11      LEU  17  35.299   9.430  -3.970
  146   HD12  LEU  17          HD12      LEU  17  34.829   9.471  -2.253
  147   HD13  LEU  17          HD13      LEU  17  35.811  10.785  -2.939
  148   HD21  LEU  17          HD21      LEU  17  32.374   9.493  -2.504
  149   HD22  LEU  17          HD22      LEU  17  32.789   9.009  -4.166
  150   HD23  LEU  17          HD23      LEU  17  31.656  10.354  -3.887
  151    H    ASP  18           HN       ASP  18  34.410  15.685  -3.701
  152    HA   ASP  18           HA       ASP  18  33.375  16.993  -5.314
  153    HB2  ASP  18           HB2      ASP  18  33.040  14.372  -6.824
  154    HB3  ASP  18           HB1      ASP  18  33.080  16.014  -7.511
  155    H    HIS  19           HN       HIS  19  31.763  15.791  -3.174
  156    HA   HIS  19           HA       HIS  19  29.530  15.536  -2.600
  157    HB2  HIS  19           HB2      HIS  19  29.198  17.284  -5.070
  158    HB3  HIS  19           HB1      HIS  19  27.916  16.952  -3.882
  159    HD1  HIS  19           HD1      HIS  19  31.004  18.979  -4.461
  160    HD2  HIS  19           HD2      HIS  19  28.402  18.105  -1.275
  161    HE1  HIS  19           HE1      HIS  19  31.518  20.633  -2.582
  162    H    LEU  20           HN       LEU  20  30.028  13.224  -3.313
  163    HA   LEU  20           HA       LEU  20  27.761  12.321  -4.908
  164    HB2  LEU  20           HB2      LEU  20  29.174  12.844  -6.790
  165    HB3  LEU  20           HB1      LEU  20  30.585  12.089  -6.020
  166    HG   LEU  20           HG       LEU  20  29.627   9.875  -6.256
  167   HD11  LEU  20          HD11      LEU  20  27.115  11.399  -7.054
  168   HD12  LEU  20          HD12      LEU  20  27.310  10.177  -5.772
  169   HD13  LEU  20          HD13      LEU  20  27.347   9.686  -7.481
  170   HD21  LEU  20          HD21      LEU  20  29.090  11.444  -8.816
  171   HD22  LEU  20          HD22      LEU  20  29.465   9.709  -8.693
  172   HD23  LEU  20          HD23      LEU  20  30.700  10.919  -8.269
  Start of MODEL   85
    1    H1   TRP   1           HT1      TRP   1  41.261  27.460   8.504
    2    H2   TRP   1           HT2      TRP   1  42.795  26.841   8.116
    3    H3   TRP   1           HT3      TRP   1  42.562  27.699   9.564
    4    HA   TRP   1           HA       TRP   1  42.519  25.026   9.280
    5    HB2  TRP   1           HB2      TRP   1  41.046  26.598  11.423
    6    HB3  TRP   1           HB1      TRP   1  41.845  25.017  11.584
    7    HD1  TRP   1           HD1      TRP   1  44.598  25.083  11.064
    8    HE1  TRP   1           HE1      TRP   1  46.350  26.858  11.798
    9    HE3  TRP   1           HE3      TRP   1  41.435  28.997  12.005
   10    HZ2  TRP   1           HZ2      TRP   1  46.345  29.603  12.672
   11    HZ3  TRP   1           HZ3      TRP   1  42.330  31.185  12.788
   12    HH2  TRP   1           HH2      TRP   1  44.781  31.491  13.122
   13    H    LEU   2           HN       LEU   2  41.191  23.822   8.075
   14    HA   LEU   2           HA       LEU   2  38.467  24.520   7.494
   15    HB2  LEU   2           HB2      LEU   2  40.097  21.970   7.277
   16    HB3  LEU   2           HB1      LEU   2  38.366  21.987   6.867
   17    HG   LEU   2           HG       LEU   2  38.726  23.704   5.173
   18   HD11  LEU   2          HD11      LEU   2  41.171  24.368   4.673
   19   HD12  LEU   2          HD12      LEU   2  41.559  23.725   6.288
   20   HD13  LEU   2          HD13      LEU   2  40.430  25.091   6.119
   21   HD21  LEU   2          HD21      LEU   2  40.043  22.419   3.593
   22   HD22  LEU   2          HD22      LEU   2  39.204  21.263   4.656
   23   HD23  LEU   2          HD23      LEU   2  40.931  21.615   4.909
   24    H    ARG   3           HN       ARG   3  39.165  21.393   8.938
   25    HA   ARG   3           HA       ARG   3  37.501  22.038  11.342
   26    HB2  ARG   3           HB2      ARG   3  36.026  21.110   9.468
   27    HB3  ARG   3           HB1      ARG   3  36.964  19.603   9.593
   28    HG2  ARG   3           HG2      ARG   3  36.340  19.372  11.957
   29    HG3  ARG   3           HG1      ARG   3  35.475  20.928  11.905
   30    HD2  ARG   3           HD2      ARG   3  33.901  20.039  10.248
   31    HD3  ARG   3           HD1      ARG   3  34.803  18.505  10.178
   32    HE   ARG   3           HE       ARG   3  32.884  19.254  12.226
   33   HH11  ARG   3          HH11      ARG   3  34.094  16.539  11.107
   34   HH12  ARG   3          HH12      ARG   3  34.652  15.859  12.599
   35   HH21  ARG   3          HH21      ARG   3  34.342  18.824  14.371
   36   HH22  ARG   3          HH22      ARG   3  34.794  17.153  14.446
   37    H    ARG   4           HN       ARG   4  40.025  20.466   9.686
   38    HA   ARG   4           HA       ARG   4  41.255  19.554  12.121
   39    HB2  ARG   4           HB2      ARG   4  39.378  17.785  11.606
   40    HB3  ARG   4           HB1      ARG   4  40.457  17.258  10.299
   41    HG2  ARG   4           HG2      ARG   4  41.194  15.877  12.048
   42    HG3  ARG   4           HG1      ARG   4  42.305  17.250  12.231
   43    HD2  ARG   4           HD2      ARG   4  40.882  18.203  14.001
   44    HD3  ARG   4           HD1      ARG   4  39.691  16.901  13.773
   45    HE   ARG   4           HE       ARG   4  42.208  15.688  14.312
   46   HH11  ARG   4          HH11      ARG   4  39.444  15.540  15.773
   47   HH12  ARG   4          HH12      ARG   4  39.944  15.941  17.381
   48   HH21  ARG   4          HH21      ARG   4  43.044  17.148  16.404
   49   HH22  ARG   4          HH22      ARG   4  41.981  16.852  17.739
   50    H    ILE   5           HN       ILE   5  41.350  20.812   9.214
   51    HA   ILE   5           HA       ILE   5  43.011  21.127   7.632
   52    HB   ILE   5           HB       ILE   5  44.924  19.706   9.533
   53   HG12  ILE   5          HG12      ILE   5  44.018  22.624   9.559
   54   HG13  ILE   5          HG11      ILE   5  43.588  21.403  10.778
   55   HG21  ILE   5          HG21      ILE   5  45.400  22.077   7.680
   56   HG22  ILE   5          HG22      ILE   5  45.607  20.392   7.144
   57   HG23  ILE   5          HG23      ILE   5  46.610  21.034   8.464
   58   HD11  ILE   5           HD1      ILE   5  46.310  22.613  10.193
   59   HD12  ILE   5           HD2      ILE   5  46.155  21.066  11.062
   60   HD13  ILE   5           HD3      ILE   5  45.433  22.545  11.738
   61    H    GLY   6           HN       GLY   6  41.965  19.661   6.197
   62    HA2  GLY   6           HA1      GLY   6  42.135  17.939   4.651
   63    HA3  GLY   6           HA2      GLY   6  43.717  17.521   5.338
   64    H    LYS   7           HN       LYS   7  40.200  17.278   5.950
   65    HA   LYS   7           HA       LYS   7  40.504  15.160   7.908
   66    HB2  LYS   7           HB2      LYS   7  38.052  14.886   7.617
   67    HB3  LYS   7           HB1      LYS   7  38.511  16.589   7.862
   68    HG2  LYS   7           HG2      LYS   7  38.516  16.872   5.348
   69    HG3  LYS   7           HG1      LYS   7  37.851  15.225   5.218
   70    HD2  LYS   7           HD2      LYS   7  35.902  15.884   6.579
   71    HD3  LYS   7           HD1      LYS   7  36.571  17.523   6.763
   72    HE2  LYS   7           HE2      LYS   7  34.822  17.315   4.943
   73    HE3  LYS   7           HE1      LYS   7  36.391  17.939   4.381
   74    HZ1  LYS   7           HZ1      LYS   7  35.819  15.042   4.305
   75    HZ2  LYS   7           HZ2      LYS   7  36.916  15.945   3.373
   76    HZ3  LYS   7           HZ3      LYS   7  35.248  16.055   3.070
   77    H    GLY   8           HN       GLY   8  41.115  15.208   4.642
   78    HA2  GLY   8           HA1      GLY   8  41.275  12.323   4.507
   79    HA3  GLY   8           HA2      GLY   8  39.904  12.933   3.561
   80    H    VAL   9           HN       VAL   9  40.394  12.975   1.482
   81    HA   VAL   9           HA       VAL   9  43.088  13.058   0.488
   82    HB   VAL   9           HB       VAL   9  40.497  13.763  -0.963
   83   HG11  VAL   9          HG11      VAL   9  42.332  14.510  -2.304
   84   HG12  VAL   9          HG12      VAL   9  41.910  12.909  -2.950
   85   HG13  VAL   9          HG13      VAL   9  43.321  13.093  -1.882
   86   HG21  VAL   9          HG21      VAL   9  40.588  11.379  -1.698
   87   HG22  VAL   9          HG22      VAL   9  40.414  11.522   0.068
   88   HG23  VAL   9          HG23      VAL   9  41.997  11.122  -0.641
   89    H    LYS  10           HN       LYS  10  41.030  15.479   1.723
   90    HA   LYS  10           HA       LYS  10  41.369  17.746   2.003
   91    HB2  LYS  10           HB2      LYS  10  43.862  16.986   2.049
   92    HB3  LYS  10           HB1      LYS  10  43.938  17.620   0.389
   93    HG2  LYS  10           HG2      LYS  10  42.908  19.791   1.349
   94    HG3  LYS  10           HG1      LYS  10  43.304  19.128   2.953
   95    HD2  LYS  10           HD2      LYS  10  45.685  18.855   2.191
   96    HD3  LYS  10           HD1      LYS  10  45.248  19.667   0.669
   97    HE2  LYS  10           HE2      LYS  10  45.151  20.825   3.484
   98    HE3  LYS  10           HE1      LYS  10  46.167  21.359   2.125
   99    HZ1  LYS  10           HZ1      LYS  10  43.265  21.706   2.530
  100    HZ2  LYS  10           HZ2      LYS  10  43.899  21.688   0.954
  101    HZ3  LYS  10           HZ3      LYS  10  44.429  22.851   2.074
  102    H    ILE  11           HN       ILE  11  41.502  16.234  -1.109
  103    HA   ILE  11           HA       ILE  11  40.554  18.797  -2.403
  104    HB   ILE  11           HB       ILE  11  41.925  16.484  -3.824
  105   HG12  ILE  11          HG12      ILE  11  43.142  19.036  -2.669
  106   HG13  ILE  11          HG11      ILE  11  43.496  17.370  -2.155
  107   HG21  ILE  11          HG21      ILE  11  40.469  18.219  -5.063
  108   HG22  ILE  11          HG22      ILE  11  42.137  18.029  -5.647
  109   HG23  ILE  11          HG23      ILE  11  41.706  19.417  -4.620
  110   HD11  ILE  11           HD1      ILE  11  45.287  17.913  -3.614
  111   HD12  ILE  11           HD2      ILE  11  44.214  18.735  -4.770
  112   HD13  ILE  11           HD3      ILE  11  44.184  16.960  -4.633
  113    H    ILE  12           HN       ILE  12  40.368  15.215  -2.437
  114    HA   ILE  12           HA       ILE  12  37.835  15.369  -4.008
  115    HB   ILE  12           HB       ILE  12  39.439  12.981  -3.024
  116   HG12  ILE  12          HG12      ILE  12  39.367  14.272  -5.795
  117   HG13  ILE  12          HG11      ILE  12  40.675  14.497  -4.613
  118   HG21  ILE  12          HG21      ILE  12  38.126  11.796  -4.861
  119   HG22  ILE  12          HG22      ILE  12  37.149  13.271  -5.026
  120   HG23  ILE  12          HG23      ILE  12  37.132  12.355  -3.505
  121   HD11  ILE  12           HD1      ILE  12  40.681  11.797  -4.645
  122   HD12  ILE  12           HD2      ILE  12  41.574  12.740  -5.860
  123   HD13  ILE  12           HD3      ILE  12  39.982  12.061  -6.261
  124    H    GLY  13           HN       GLY  13  38.409  12.761  -1.704
  125    HA2  GLY  13           HA1      GLY  13  35.851  13.039  -0.465
  126    HA3  GLY  13           HA2      GLY  13  37.244  12.161   0.210
  127    H    GLY  14           HN       GLY  14  38.536  14.914  -0.498
  128    HA2  GLY  14           HA1      GLY  14  38.362  16.010   2.241
  129    HA3  GLY  14           HA2      GLY  14  39.434  16.545   0.930
  130    H    ALA  15           HN       ALA  15  37.724  17.058  -1.170
  131    HA   ALA  15           HA       ALA  15  36.387  19.514  -0.123
  132    HB1  ALA  15           HB1      ALA  15  36.040  20.083  -2.432
  133    HB2  ALA  15           HB2      ALA  15  36.422  18.428  -2.959
  134    HB3  ALA  15           HB3      ALA  15  37.700  19.467  -2.281
  135    H    ALA  16           HN       ALA  16  35.526  16.799   0.627
  136    HA   ALA  16           HA       ALA  16  33.481  15.865   1.145
  137    HB1  ALA  16           HB1      ALA  16  31.472  17.008   0.809
  138    HB2  ALA  16           HB2      ALA  16  31.992  17.693  -0.749
  139    HB3  ALA  16           HB3      ALA  16  32.651  18.340   0.772
  140    H    LEU  17           HN       LEU  17  35.250  14.887  -0.862
  141    HA   LEU  17           HA       LEU  17  35.211  13.411  -2.673
  142    HB2  LEU  17           HB2      LEU  17  33.572  12.341  -0.959
  143    HB3  LEU  17           HB1      LEU  17  32.284  12.924  -2.036
  144    HG   LEU  17           HG       LEU  17  33.777  11.723  -3.929
  145   HD11  LEU  17          HD11      LEU  17  34.402  10.015  -1.481
  146   HD12  LEU  17          HD12      LEU  17  35.571  11.149  -2.194
  147   HD13  LEU  17          HD13      LEU  17  34.968   9.775  -3.150
  148   HD21  LEU  17          HD21      LEU  17  31.959  10.299  -1.935
  149   HD22  LEU  17          HD22      LEU  17  32.477   9.597  -3.487
  150   HD23  LEU  17          HD23      LEU  17  31.481  11.073  -3.466
  151    H    ASP  18           HN       ASP  18  34.729  16.132  -3.277
  152    HA   ASP  18           HA       ASP  18  33.993  17.459  -5.022
  153    HB2  ASP  18           HB2      ASP  18  35.093  15.677  -6.362
  154    HB3  ASP  18           HB1      ASP  18  33.548  14.799  -6.437
  155    H    HIS  19           HN       HIS  19  31.864  14.682  -5.752
  156    HA   HIS  19           HA       HIS  19  29.554  16.352  -6.046
  157    HB2  HIS  19           HB2      HIS  19  29.856  14.071  -7.051
  158    HB3  HIS  19           HB1      HIS  19  29.630  13.374  -5.429
  159    HD1  HIS  19           HD1      HIS  19  27.280  12.818  -4.813
  160    HD2  HIS  19           HD2      HIS  19  27.470  15.855  -7.717
  161    HE1  HIS  19           HE1      HIS  19  24.879  13.370  -5.495
  162    H    LEU  20           HN       LEU  20  30.273  13.908  -3.500
  163    HA   LEU  20           HA       LEU  20  29.430  15.680  -1.376
  164    HB2  LEU  20           HB2      LEU  20  27.190  15.323  -2.193
  165    HB3  LEU  20           HB1      LEU  20  27.464  13.576  -2.359
  166    HG   LEU  20           HG       LEU  20  27.558  13.280   0.044
  167   HD11  LEU  20          HD11      LEU  20  27.619  16.323   0.094
  168   HD12  LEU  20          HD12      LEU  20  28.770  15.182   0.829
  169   HD13  LEU  20          HD13      LEU  20  27.144  15.373   1.522
  170   HD21  LEU  20          HD21      LEU  20  25.302  13.524  -1.045
  171   HD22  LEU  20          HD22      LEU  20  25.308  15.243  -0.585
  172   HD23  LEU  20          HD23      LEU  20  25.306  13.985   0.674
  Start of MODEL   86
    1    H1   TRP   1           HT1      TRP   1  57.403  10.745  -1.329
    2    H2   TRP   1           HT2      TRP   1  57.449   9.358  -0.349
    3    H3   TRP   1           HT3      TRP   1  58.469  10.674  -0.014
    4    HA   TRP   1           HA       TRP   1  56.987  11.477   1.339
    5    HB2  TRP   1           HB2      TRP   1  55.278  11.525  -1.179
    6    HB3  TRP   1           HB1      TRP   1  54.853  12.345   0.343
    7    HD1  TRP   1           HD1      TRP   1  56.656  14.222   1.221
    8    HE1  TRP   1           HE1      TRP   1  58.144  15.879  -0.124
    9    HE3  TRP   1           HE3      TRP   1  56.553  11.886  -3.333
   10    HZ2  TRP   1           HZ2      TRP   1  59.136  16.125  -2.816
   11    HZ3  TRP   1           HZ3      TRP   1  57.778  12.848  -5.275
   12    HH2  TRP   1           HH2      TRP   1  59.069  14.964  -5.021
   13    H    LEU   2           HN       LEU   2  54.666  11.237   2.250
   14    HA   LEU   2           HA       LEU   2  54.324   8.427   2.884
   15    HB2  LEU   2           HB2      LEU   2  52.314  10.641   3.421
   16    HB3  LEU   2           HB1      LEU   2  52.587   9.149   4.350
   17    HG   LEU   2           HG       LEU   2  54.566  11.457   4.066
   18   HD11  LEU   2          HD11      LEU   2  54.047  11.928   6.395
   19   HD12  LEU   2          HD12      LEU   2  52.985  10.505   6.492
   20   HD13  LEU   2          HD13      LEU   2  52.523  11.893   5.480
   21   HD21  LEU   2          HD21      LEU   2  55.850   9.457   4.348
   22   HD22  LEU   2          HD22      LEU   2  54.671   8.763   5.486
   23   HD23  LEU   2          HD23      LEU   2  55.696  10.129   5.986
   24    H    ARG   3           HN       ARG   3  53.431  10.253   0.221
   25    HA   ARG   3           HA       ARG   3  52.168   9.672  -1.627
   26    HB2  ARG   3           HB2      ARG   3  52.685   7.235  -0.786
   27    HB3  ARG   3           HB1      ARG   3  51.000   7.249  -0.218
   28    HG2  ARG   3           HG2      ARG   3  50.269   7.902  -2.530
   29    HG3  ARG   3           HG1      ARG   3  51.957   7.735  -3.073
   30    HD2  ARG   3           HD2      ARG   3  51.978   5.374  -2.450
   31    HD3  ARG   3           HD1      ARG   3  50.351   5.512  -1.740
   32    HE   ARG   3           HE       ARG   3  49.580   5.086  -3.920
   33   HH11  ARG   3          HH11      ARG   3  49.300   6.832  -5.692
   34   HH12  ARG   3          HH12      ARG   3  50.718   7.036  -6.663
   35   HH21  ARG   3          HH21      ARG   3  52.801   5.383  -4.436
   36   HH22  ARG   3          HH22      ARG   3  52.701   6.214  -5.952
   37    H    ARG   4           HN       ARG   4  50.537   9.092   1.509
   38    HA   ARG   4           HA       ARG   4  47.925   9.854   0.482
   39    HB2  ARG   4           HB2      ARG   4  48.296   8.381   2.479
   40    HB3  ARG   4           HB1      ARG   4  48.905   9.801   3.362
   41    HG2  ARG   4           HG2      ARG   4  46.764  10.954   3.071
   42    HG3  ARG   4           HG1      ARG   4  46.149   9.618   2.069
   43    HD2  ARG   4           HD2      ARG   4  46.178   8.091   3.929
   44    HD3  ARG   4           HD1      ARG   4  47.098   9.232   4.937
   45    HE   ARG   4           HE       ARG   4  45.035  10.209   5.505
   46   HH11  ARG   4          HH11      ARG   4  44.306   7.746   3.400
   47   HH12  ARG   4          HH12      ARG   4  42.869   8.464   2.752
   48   HH21  ARG   4          HH21      ARG   4  43.405  11.538   4.264
   49   HH22  ARG   4          HH22      ARG   4  42.357  10.611   3.242
   50    H    ILE   5           HN       ILE   5  50.613  11.494   2.111
   51    HA   ILE   5           HA       ILE   5  49.153  13.941   2.617
   52    HB   ILE   5           HB       ILE   5  51.253  13.310   3.827
   53   HG12  ILE   5          HG12      ILE   5  52.370  15.541   3.693
   54   HG13  ILE   5          HG11      ILE   5  51.440  15.915   2.228
   55   HG21  ILE   5          HG21      ILE   5  52.681  14.053   1.244
   56   HG22  ILE   5          HG22      ILE   5  52.347  12.372   1.725
   57   HG23  ILE   5          HG23      ILE   5  53.396  13.395   2.736
   58   HD11  ILE   5           HD1      ILE   5  50.574  16.742   4.604
   59   HD12  ILE   5           HD2      ILE   5  49.956  15.079   4.738
   60   HD13  ILE   5           HD3      ILE   5  49.413  16.128   3.406
   61    H    GLY   6           HN       GLY   6  51.141  12.692  -0.044
   62    HA2  GLY   6           HA1      GLY   6  51.377  15.150  -1.487
   63    HA3  GLY   6           HA2      GLY   6  51.508  13.518  -2.173
   64    H    LYS   7           HN       LYS   7  48.844  12.686  -1.335
   65    HA   LYS   7           HA       LYS   7  46.910  14.530  -2.477
   66    HB2  LYS   7           HB2      LYS   7  46.359  13.164  -4.484
   67    HB3  LYS   7           HB1      LYS   7  47.986  13.880  -4.579
   68    HG2  LYS   7           HG2      LYS   7  48.905  11.701  -3.661
   69    HG3  LYS   7           HG1      LYS   7  47.273  11.012  -3.837
   70    HD2  LYS   7           HD2      LYS   7  47.313  11.580  -6.263
   71    HD3  LYS   7           HD1      LYS   7  48.967  12.208  -6.075
   72    HE2  LYS   7           HE2      LYS   7  48.964   9.869  -6.925
   73    HE3  LYS   7           HE1      LYS   7  49.744   9.988  -5.330
   74    HZ1  LYS   7           HZ1      LYS   7  47.798   9.165  -4.282
   75    HZ2  LYS   7           HZ2      LYS   7  48.119   8.125  -5.585
   76    HZ3  LYS   7           HZ3      LYS   7  46.880   9.281  -5.704
   77    H    GLY   8           HN       GLY   8  44.850  13.943  -1.969
   78    HA2  GLY   8           HA1      GLY   8  43.995  11.252  -1.535
   79    HA3  GLY   8           HA2      GLY   8  44.459  11.962   0.025
   80    H    VAL   9           HN       VAL   9  42.579  12.298   1.041
   81    HA   VAL   9           HA       VAL   9  40.210  13.243  -0.396
   82    HB   VAL   9           HB       VAL   9  39.183  13.358   1.863
   83   HG11  VAL   9          HG11      VAL   9  39.300  11.206   0.598
   84   HG12  VAL   9          HG12      VAL   9  39.334  10.956   2.360
   85   HG13  VAL   9          HG13      VAL   9  40.837  10.834   1.414
   86   HG21  VAL   9          HG21      VAL   9  42.021  12.667   2.742
   87   HG22  VAL   9          HG22      VAL   9  40.594  12.514   3.795
   88   HG23  VAL   9          HG23      VAL   9  41.081  14.113   3.181
   89    H    LYS  10           HN       LYS  10  42.711  14.917  -0.402
   90    HA   LYS  10           HA       LYS  10  42.017  17.272   1.222
   91    HB2  LYS  10           HB2      LYS  10  44.366  16.298   0.210
   92    HB3  LYS  10           HB1      LYS  10  43.984  17.487  -1.050
   93    HG2  LYS  10           HG2      LYS  10  44.161  18.051   1.950
   94    HG3  LYS  10           HG1      LYS  10  45.384  18.485   0.732
   95    HD2  LYS  10           HD2      LYS  10  43.447  19.766  -0.458
   96    HD3  LYS  10           HD1      LYS  10  42.580  19.601   1.089
   97    HE2  LYS  10           HE2      LYS  10  45.265  20.963   0.623
   98    HE3  LYS  10           HE1      LYS  10  43.737  21.734   1.108
   99    HZ1  LYS  10           HZ1      LYS  10  45.396  19.835   2.681
  100    HZ2  LYS  10           HZ2      LYS  10  43.811  20.261   3.118
  101    HZ3  LYS  10           HZ3      LYS  10  45.026  21.447   3.055
  102    H    ILE  11           HN       ILE  11  41.171  15.944  -1.826
  103    HA   ILE  11           HA       ILE  11  39.846  18.537  -2.619
  104    HB   ILE  11           HB       ILE  11  41.004  16.520  -4.579
  105   HG12  ILE  11          HG12      ILE  11  42.253  19.078  -3.471
  106   HG13  ILE  11          HG11      ILE  11  42.865  17.422  -3.257
  107   HG21  ILE  11          HG21      ILE  11  40.342  19.472  -4.965
  108   HG22  ILE  11          HG22      ILE  11  39.142  18.183  -5.231
  109   HG23  ILE  11          HG23      ILE  11  40.621  18.236  -6.215
  110   HD11  ILE  11           HD1      ILE  11  42.936  17.322  -5.860
  111   HD12  ILE  11           HD2      ILE  11  44.177  18.294  -5.033
  112   HD13  ILE  11           HD3      ILE  11  42.780  19.095  -5.790
  113    H    ILE  12           HN       ILE  12  39.961  14.988  -2.799
  114    HA   ILE  12           HA       ILE  12  37.323  14.768  -4.030
  115    HB   ILE  12           HB       ILE  12  39.052  12.773  -2.539
  116   HG12  ILE  12          HG12      ILE  12  38.697  13.133  -5.555
  117   HG13  ILE  12          HG11      ILE  12  40.034  13.852  -4.632
  118   HG21  ILE  12          HG21      ILE  12  36.525  12.468  -4.215
  119   HG22  ILE  12          HG22      ILE  12  36.851  11.847  -2.579
  120   HG23  ILE  12          HG23      ILE  12  37.646  11.109  -3.980
  121   HD11  ILE  12           HD1      ILE  12  41.054  11.870  -5.330
  122   HD12  ILE  12           HD2      ILE  12  39.535  10.953  -5.332
  123   HD13  ILE  12           HD3      ILE  12  40.359  11.306  -3.795
  124    H    GLY  13           HN       GLY  13  38.177  12.962  -1.106
  125    HA2  GLY  13           HA1      GLY  13  35.622  13.434   0.111
  126    HA3  GLY  13           HA2      GLY  13  37.074  12.809   0.928
  127    H    GLY  14           HN       GLY  14  38.122  15.336  -0.666
  128    HA2  GLY  14           HA1      GLY  14  38.131  17.124   1.696
  129    HA3  GLY  14           HA2      GLY  14  39.019  17.346   0.171
  130    H    ALA  15           HN       ALA  15  36.993  17.114  -1.725
  131    HA   ALA  15           HA       ALA  15  35.537  19.687  -1.202
  132    HB1  ALA  15           HB1      ALA  15  36.693  19.296  -3.394
  133    HB2  ALA  15           HB2      ALA  15  34.947  19.593  -3.556
  134    HB3  ALA  15           HB3      ALA  15  35.582  17.937  -3.693
  135    H    ALA  16           HN       ALA  16  35.061  17.170   0.227
  136    HA   ALA  16           HA       ALA  16  33.202  16.113   1.095
  137    HB1  ALA  16           HB1      ALA  16  32.075  18.392   0.434
  138    HB2  ALA  16           HB2      ALA  16  31.048  16.981   0.782
  139    HB3  ALA  16           HB3      ALA  16  31.366  17.456  -0.902
  140    H    LEU  17           HN       LEU  17  34.848  14.870  -0.734
  141    HA   LEU  17           HA       LEU  17  34.855  12.996  -2.105
  142    HB2  LEU  17           HB2      LEU  17  31.847  12.772  -1.699
  143    HB3  LEU  17           HB1      LEU  17  32.976  11.485  -2.155
  144    HG   LEU  17           HG       LEU  17  33.359  12.951   0.484
  145   HD11  LEU  17          HD11      LEU  17  31.002  12.247   0.483
  146   HD12  LEU  17          HD12      LEU  17  31.955  11.227   1.586
  147   HD13  LEU  17          HD13      LEU  17  31.479  10.605  -0.012
  148   HD21  LEU  17          HD21      LEU  17  33.811  10.017  -0.203
  149   HD22  LEU  17          HD22      LEU  17  34.525  10.964   1.123
  150   HD23  LEU  17          HD23      LEU  17  35.035  11.256  -0.554
  151    H    ASP  18           HN       ASP  18  34.313  15.724  -3.132
  152    HA   ASP  18           HA       ASP  18  33.659  16.752  -5.116
  153    HB2  ASP  18           HB2      ASP  18  34.318  13.941  -6.073
  154    HB3  ASP  18           HB1      ASP  18  33.974  15.293  -7.178
  155    H    HIS  19           HN       HIS  19  31.550  15.422  -3.455
  156    HA   HIS  19           HA       HIS  19  29.289  14.927  -3.620
  157    HB2  HIS  19           HB2      HIS  19  29.478  16.413  -6.270
  158    HB3  HIS  19           HB1      HIS  19  28.021  16.171  -5.276
  159    HD1  HIS  19           HD1      HIS  19  31.085  18.286  -5.626
  160    HD2  HIS  19           HD2      HIS  19  28.106  17.621  -2.734
  161    HE1  HIS  19           HE1      HIS  19  31.205  20.212  -3.951
  162    H    LEU  20           HN       LEU  20  30.851  12.810  -4.316
  163    HA   LEU  20           HA       LEU  20  30.548  11.680  -6.863
  164    HB2  LEU  20           HB2      LEU  20  31.731  10.837  -4.637
  165    HB3  LEU  20           HB1      LEU  20  30.218   9.940  -4.401
  166    HG   LEU  20           HG       LEU  20  32.098   9.776  -6.802
  167   HD11  LEU  20          HD11      LEU  20  31.253   7.753  -4.678
  168   HD12  LEU  20          HD12      LEU  20  32.840   8.551  -4.787
  169   HD13  LEU  20          HD13      LEU  20  32.325   7.415  -6.058
  170   HD21  LEU  20          HD21      LEU  20  29.893   9.556  -7.710
  171   HD22  LEU  20          HD22      LEU  20  29.323   8.619  -6.307
  172   HD23  LEU  20          HD23      LEU  20  30.459   7.890  -7.467
  Start of MODEL   87
    1    H1   TRP   1           HT1      TRP   1  32.921  14.467  18.928
    2    H2   TRP   1           HT2      TRP   1  33.752  15.596  17.967
    3    H3   TRP   1           HT3      TRP   1  34.609  14.579  19.025
    4    HA   TRP   1           HA       TRP   1  34.216  12.699  17.767
    5    HB2  TRP   1           HB2      TRP   1  32.200  14.434  16.286
    6    HB3  TRP   1           HB1      TRP   1  32.700  12.809  15.760
    7    HD1  TRP   1           HD1      TRP   1  32.334  10.824  17.697
    8    HE1  TRP   1           HE1      TRP   1  30.331  10.479  19.320
    9    HE3  TRP   1           HE3      TRP   1  30.367  15.550  17.571
   10    HZ2  TRP   1           HZ2      TRP   1  28.183  12.066  20.399
   11    HZ3  TRP   1           HZ3      TRP   1  28.342  16.111  18.905
   12    HH2  TRP   1           HH2      TRP   1  27.248  14.375  20.318
   13    H    LEU   2           HN       LEU   2  34.649  12.373  15.252
   14    HA   LEU   2           HA       LEU   2  37.129  13.695  14.731
   15    HB2  LEU   2           HB2      LEU   2  36.617  11.480  13.832
   16    HB3  LEU   2           HB1      LEU   2  35.253  12.136  12.903
   17    HG   LEU   2           HG       LEU   2  36.773  13.451  11.505
   18   HD11  LEU   2          HD11      LEU   2  39.325  12.952  11.845
   19   HD12  LEU   2          HD12      LEU   2  38.858  12.475  13.496
   20   HD13  LEU   2          HD13      LEU   2  38.553  14.133  12.926
   21   HD21  LEU   2          HD21      LEU   2  36.355  11.085  10.899
   22   HD22  LEU   2          HD22      LEU   2  37.763  10.589  11.869
   23   HD23  LEU   2          HD23      LEU   2  37.990  11.592  10.417
   24    H    ARG   3           HN       ARG   3  33.899  14.694  14.342
   25    HA   ARG   3           HA       ARG   3  33.068  16.733  13.613
   26    HB2  ARG   3           HB2      ARG   3  35.557  17.519  14.069
   27    HB3  ARG   3           HB1      ARG   3  35.690  17.513  12.297
   28    HG2  ARG   3           HG2      ARG   3  33.695  19.001  12.156
   29    HG3  ARG   3           HG1      ARG   3  33.619  19.043  13.934
   30    HD2  ARG   3           HD2      ARG   3  35.976  19.937  13.951
   31    HD3  ARG   3           HD1      ARG   3  35.903  20.037  12.177
   32    HE   ARG   3           HE       ARG   3  33.655  21.438  13.047
   33   HH11  ARG   3          HH11      ARG   3  34.312  22.801  15.197
   34   HH12  ARG   3          HH12      ARG   3  35.555  23.943  14.807
   35   HH21  ARG   3          HH21      ARG   3  36.448  22.363  11.853
   36   HH22  ARG   3          HH22      ARG   3  36.765  23.693  12.915
   37    H    ARG   4           HN       ARG   4  35.423  15.309  11.305
   38    HA   ARG   4           HA       ARG   4  33.744  16.019   9.007
   39    HB2  ARG   4           HB2      ARG   4  36.176  14.205   9.273
   40    HB3  ARG   4           HB1      ARG   4  35.411  14.672   7.735
   41    HG2  ARG   4           HG2      ARG   4  35.895  17.018   8.130
   42    HG3  ARG   4           HG1      ARG   4  36.480  16.666   9.775
   43    HD2  ARG   4           HD2      ARG   4  38.371  15.425   8.919
   44    HD3  ARG   4           HD1      ARG   4  37.730  15.486   7.260
   45    HE   ARG   4           HE       ARG   4  39.260  17.574   8.554
   46   HH11  ARG   4          HH11      ARG   4  38.734  16.933   5.555
   47   HH12  ARG   4          HH12      ARG   4  37.982  18.412   5.058
   48   HH21  ARG   4          HH21      ARG   4  37.380  19.502   8.295
   49   HH22  ARG   4          HH22      ARG   4  37.215  19.866   6.610
   50    H    ILE   5           HN       ILE   5  34.337  13.186  11.051
   51    HA   ILE   5           HA       ILE   5  33.362  11.078  11.052
   52    HB   ILE   5           HB       ILE   5  30.862  12.422   9.942
   53   HG12  ILE   5          HG12      ILE   5  32.000  12.577  12.772
   54   HG13  ILE   5          HG11      ILE   5  31.808  13.936  11.641
   55   HG21  ILE   5          HG21      ILE   5  31.034   9.892  10.473
   56   HG22  ILE   5          HG22      ILE   5  29.695  10.785  11.229
   57   HG23  ILE   5          HG23      ILE   5  31.143  10.376  12.181
   58   HD11  ILE   5           HD1      ILE   5  29.646  12.317  13.030
   59   HD12  ILE   5           HD2      ILE   5  29.293  13.291  11.581
   60   HD13  ILE   5           HD3      ILE   5  29.904  14.077  13.056
   61    H    GLY   6           HN       GLY   6  34.929  11.273   8.883
   62    HA2  GLY   6           HA1      GLY   6  34.053   9.286   7.153
   63    HA3  GLY   6           HA2      GLY   6  33.480  10.789   6.405
   64    H    LYS   7           HN       LYS   7  36.131  11.699   8.098
   65    HA   LYS   7           HA       LYS   7  38.263  12.315   7.421
   66    HB2  LYS   7           HB2      LYS   7  38.160   9.622   5.999
   67    HB3  LYS   7           HB1      LYS   7  39.630  10.560   6.360
   68    HG2  LYS   7           HG2      LYS   7  39.350  10.292   8.722
   69    HG3  LYS   7           HG1      LYS   7  37.680   9.706   8.536
   70    HD2  LYS   7           HD2      LYS   7  39.258   7.842   9.008
   71    HD3  LYS   7           HD1      LYS   7  38.497   7.671   7.410
   72    HE2  LYS   7           HE2      LYS   7  40.468   8.355   6.269
   73    HE3  LYS   7           HE1      LYS   7  41.188   9.048   7.744
   74    HZ1  LYS   7           HZ1      LYS   7  40.515   6.181   7.669
   75    HZ2  LYS   7           HZ2      LYS   7  41.720   6.987   8.557
   76    HZ3  LYS   7           HZ3      LYS   7  41.923   6.718   6.891
   77    H    GLY   8           HN       GLY   8  39.774  12.478   5.382
   78    HA2  GLY   8           HA1      GLY   8  38.560  12.562   2.789
   79    HA3  GLY   8           HA2      GLY   8  38.477  14.172   3.528
   80    H    VAL   9           HN       VAL   9  39.961  13.277   1.153
   81    HA   VAL   9           HA       VAL   9  42.768  13.107   1.902
   82    HB   VAL   9           HB       VAL   9  41.484  13.829  -0.772
   83   HG11  VAL   9          HG11      VAL   9  43.771  14.594  -0.779
   84   HG12  VAL   9          HG12      VAL   9  43.763  13.027  -1.623
   85   HG13  VAL   9          HG13      VAL   9  44.330  13.129   0.061
   86   HG21  VAL   9          HG21      VAL   9  42.679  11.191   0.184
   87   HG22  VAL   9          HG22      VAL   9  41.793  11.492  -1.332
   88   HG23  VAL   9          HG23      VAL   9  40.937  11.553   0.228
   89    H    LYS  10           HN       LYS  10  41.479  15.588  -0.321
   90    HA   LYS  10           HA       LYS  10  42.043  17.800   1.444
   91    HB2  LYS  10           HB2      LYS  10  44.372  17.143   1.118
   92    HB3  LYS  10           HB1      LYS  10  44.152  17.110  -0.643
   93    HG2  LYS  10           HG2      LYS  10  45.293  19.187   0.145
   94    HG3  LYS  10           HG1      LYS  10  43.760  19.537  -0.680
   95    HD2  LYS  10           HD2      LYS  10  42.642  20.065   1.344
   96    HD3  LYS  10           HD1      LYS  10  43.840  19.207   2.343
   97    HE2  LYS  10           HE2      LYS  10  44.441  21.721   0.723
   98    HE3  LYS  10           HE1      LYS  10  44.035  21.719   2.456
   99    HZ1  LYS  10           HZ1      LYS  10  46.524  21.257   1.265
  100    HZ2  LYS  10           HZ2      LYS  10  46.035  19.799   1.986
  101    HZ3  LYS  10           HZ3      LYS  10  46.130  21.218   2.914
  102    H    ILE  11           HN       ILE  11  41.285  16.395  -1.636
  103    HA   ILE  11           HA       ILE  11  40.007  18.993  -2.468
  104    HB   ILE  11           HB       ILE  11  41.391  17.128  -4.438
  105   HG12  ILE  11          HG12      ILE  11  42.460  19.659  -3.105
  106   HG13  ILE  11          HG11      ILE  11  43.104  18.012  -2.909
  107   HG21  ILE  11          HG21      ILE  11  41.073  18.916  -5.999
  108   HG22  ILE  11          HG22      ILE  11  40.662  20.072  -4.709
  109   HG23  ILE  11          HG23      ILE  11  39.527  18.769  -5.133
  110   HD11  ILE  11           HD1      ILE  11  44.529  19.000  -4.531
  111   HD12  ILE  11           HD2      ILE  11  43.174  19.790  -5.369
  112   HD13  ILE  11           HD3      ILE  11  43.395  18.027  -5.496
  113    H    ILE  12           HN       ILE  12  40.304  15.473  -3.096
  114    HA   ILE  12           HA       ILE  12  37.581  15.394  -4.241
  115    HB   ILE  12           HB       ILE  12  39.548  13.196  -3.504
  116   HG12  ILE  12          HG12      ILE  12  38.933  14.065  -6.358
  117   HG13  ILE  12          HG11      ILE  12  40.089  15.011  -5.395
  118   HG21  ILE  12          HG21      ILE  12  37.495  12.050  -3.663
  119   HG22  ILE  12          HG22      ILE  12  38.027  11.982  -5.353
  120   HG23  ILE  12          HG23      ILE  12  36.824  13.190  -4.852
  121   HD11  ILE  12           HD1      ILE  12  41.046  13.094  -6.848
  122   HD12  ILE  12           HD2      ILE  12  40.346  11.990  -5.642
  123   HD13  ILE  12           HD3      ILE  12  41.577  13.177  -5.153
  124    H    GLY  13           HN       GLY  13  38.685  12.826  -2.090
  125    HA2  GLY  13           HA1      GLY  13  36.276  12.752  -0.575
  126    HA3  GLY  13           HA2      GLY  13  37.843  12.083  -0.061
  127    H    GLY  14           HN       GLY  14  38.696  14.953  -0.836
  128    HA2  GLY  14           HA1      GLY  14  38.690  16.020   1.904
  129    HA3  GLY  14           HA2      GLY  14  39.483  16.726   0.477
  130    H    ALA  15           HN       ALA  15  37.452  17.009  -1.360
  131    HA   ALA  15           HA       ALA  15  35.843  19.158  -0.026
  132    HB1  ALA  15           HB1      ALA  15  35.797  18.279  -2.935
  133    HB2  ALA  15           HB2      ALA  15  36.935  19.487  -2.286
  134    HB3  ALA  15           HB3      ALA  15  35.185  19.799  -2.248
  135    H    ALA  16           HN       ALA  16  35.546  16.320   0.610
  136    HA   ALA  16           HA       ALA  16  33.770  14.959   1.178
  137    HB1  ALA  16           HB1      ALA  16  31.565  15.742   1.137
  138    HB2  ALA  16           HB2      ALA  16  31.805  16.667  -0.364
  139    HB3  ALA  16           HB3      ALA  16  32.495  17.259   1.166
  140    H    LEU  17           HN       LEU  17  35.440  14.401  -0.979
  141    HA   LEU  17           HA       LEU  17  35.492  12.948  -2.792
  142    HB2  LEU  17           HB2      LEU  17  33.634  11.819  -1.287
  143    HB3  LEU  17           HB1      LEU  17  32.519  12.414  -2.535
  144    HG   LEU  17           HG       LEU  17  34.272  11.287  -4.214
  145   HD11  LEU  17          HD11      LEU  17  35.250   9.209  -3.227
  146   HD12  LEU  17          HD12      LEU  17  34.720   9.742  -1.615
  147   HD13  LEU  17          HD13      LEU  17  35.944  10.676  -2.503
  148   HD21  LEU  17          HD21      LEU  17  33.000   9.108  -3.978
  149   HD22  LEU  17          HD22      LEU  17  31.962  10.552  -4.063
  150   HD23  LEU  17          HD23      LEU  17  32.264   9.763  -2.496
  151    H    ASP  18           HN       ASP  18  34.577  15.843  -2.931
  152    HA   ASP  18           HA       ASP  18  33.876  17.315  -4.582
  153    HB2  ASP  18           HB2      ASP  18  35.642  16.032  -5.842
  154    HB3  ASP  18           HB1      ASP  18  34.350  14.985  -6.479
  155    H    HIS  19           HN       HIS  19  31.948  15.400  -3.276
  156    HA   HIS  19           HA       HIS  19  29.712  14.821  -3.473
  157    HB2  HIS  19           HB2      HIS  19  29.486  17.266  -3.729
  158    HB3  HIS  19           HB1      HIS  19  29.724  17.106  -5.486
  159    HD1  HIS  19           HD1      HIS  19  27.379  17.843  -6.213
  160    HD2  HIS  19           HD2      HIS  19  27.348  14.658  -3.462
  161    HE1  HIS  19           HE1      HIS  19  24.991  16.945  -6.115
  162    H    LEU  20           HN       LEU  20  30.700  12.830  -4.518
  163    HA   LEU  20           HA       LEU  20  30.548  11.188  -6.149
  164    HB2  LEU  20           HB2      LEU  20  28.280  12.783  -7.388
  165    HB3  LEU  20           HB1      LEU  20  28.519  11.021  -7.376
  166    HG   LEU  20           HG       LEU  20  27.851  12.798  -4.987
  167   HD11  LEU  20          HD11      LEU  20  26.341  10.507  -6.324
  168   HD12  LEU  20          HD12      LEU  20  25.976  12.236  -6.538
  169   HD13  LEU  20          HD13      LEU  20  25.778  11.476  -4.941
  170   HD21  LEU  20          HD21      LEU  20  29.328  11.115  -4.134
  171   HD22  LEU  20          HD22      LEU  20  28.633   9.859  -5.187
  172   HD23  LEU  20          HD23      LEU  20  27.692  10.496  -3.817
  Start of MODEL   88
    1    H1   TRP   1           HT1      TRP   1  43.856  10.864 -11.314
    2    H2   TRP   1           HT2      TRP   1  42.613   9.783 -10.899
    3    H3   TRP   1           HT3      TRP   1  43.638   9.441 -12.210
    4    HA   TRP   1           HA       TRP   1  45.467   9.068 -10.845
    5    HB2  TRP   1           HB2      TRP   1  43.678  10.154  -8.637
    6    HB3  TRP   1           HB1      TRP   1  45.244   9.355  -8.353
    7    HD1  TRP   1           HD1      TRP   1  43.697  12.525  -9.836
    8    HE1  TRP   1           HE1      TRP   1  45.541  14.331 -10.151
    9    HE3  TRP   1           HE3      TRP   1  47.809   9.689  -8.710
   10    HZ2  TRP   1           HZ2      TRP   1  48.409  14.491  -9.934
   11    HZ3  TRP   1           HZ3      TRP   1  50.089  10.689  -8.770
   12    HH2  TRP   1           HH2      TRP   1  50.392  13.085  -9.381
   13    H    LEU   2           HN       LEU   2  45.682   7.324  -9.052
   14    HA   LEU   2           HA       LEU   2  43.884   5.143  -9.839
   15    HB2  LEU   2           HB2      LEU   2  45.976   5.068  -7.638
   16    HB3  LEU   2           HB1      LEU   2  45.368   3.726  -8.635
   17    HG   LEU   2           HG       LEU   2  47.022   6.093  -9.623
   18   HD11  LEU   2          HD11      LEU   2  47.680   3.125  -9.357
   19   HD12  LEU   2          HD12      LEU   2  48.282   4.414  -8.287
   20   HD13  LEU   2          HD13      LEU   2  48.760   4.384 -10.002
   21   HD21  LEU   2          HD21      LEU   2  45.586   5.469 -11.429
   22   HD22  LEU   2          HD22      LEU   2  45.704   3.737 -11.036
   23   HD23  LEU   2          HD23      LEU   2  47.099   4.591 -11.738
   24    H    ARG   3           HN       ARG   3  43.795   7.597  -7.511
   25    HA   ARG   3           HA       ARG   3  42.372   7.994  -5.734
   26    HB2  ARG   3           HB2      ARG   3  40.886   5.453  -6.472
   27    HB3  ARG   3           HB1      ARG   3  40.267   6.875  -5.605
   28    HG2  ARG   3           HG2      ARG   3  41.194   6.825  -8.514
   29    HG3  ARG   3           HG1      ARG   3  39.510   6.894  -7.955
   30    HD2  ARG   3           HD2      ARG   3  40.253   9.037  -6.653
   31    HD3  ARG   3           HD1      ARG   3  41.665   9.017  -7.741
   32    HE   ARG   3           HE       ARG   3  39.566   8.787  -9.500
   33   HH11  ARG   3          HH11      ARG   3  41.021  11.172  -7.620
   34   HH12  ARG   3          HH12      ARG   3  39.826  12.386  -7.928
   35   HH21  ARG   3          HH21      ARG   3  37.670  10.223  -9.572
   36   HH22  ARG   3          HH22      ARG   3  37.927  11.848  -9.033
   37    H    ARG   4           HN       ARG   4  44.132   5.064  -6.009
   38    HA   ARG   4           HA       ARG   4  43.713   4.448  -3.089
   39    HB2  ARG   4           HB2      ARG   4  44.733   2.751  -5.401
   40    HB3  ARG   4           HB1      ARG   4  44.754   2.241  -3.694
   41    HG2  ARG   4           HG2      ARG   4  42.340   2.393  -3.545
   42    HG3  ARG   4           HG1      ARG   4  42.236   3.147  -5.154
   43    HD2  ARG   4           HD2      ARG   4  43.198   1.070  -6.157
   44    HD3  ARG   4           HD1      ARG   4  43.201   0.317  -4.545
   45    HE   ARG   4           HE       ARG   4  40.925  -0.138  -4.915
   46   HH11  ARG   4          HH11      ARG   4  41.339   0.796  -7.831
   47   HH12  ARG   4          HH12      ARG   4  40.033   1.921  -7.988
   48   HH21  ARG   4          HH21      ARG   4  39.465   2.145  -4.575
   49   HH22  ARG   4          HH22      ARG   4  38.972   2.685  -6.147
   50    H    ILE   5           HN       ILE   5  45.876   5.766  -5.409
   51    HA   ILE   5           HA       ILE   5  48.408   5.008  -4.466
   52    HB   ILE   5           HB       ILE   5  47.991   6.509  -6.433
   53   HG12  ILE   5          HG12      ILE   5  49.856   7.709  -4.330
   54   HG13  ILE   5          HG11      ILE   5  50.244   6.294  -5.335
   55   HG21  ILE   5          HG21      ILE   5  47.724   8.745  -4.384
   56   HG22  ILE   5          HG22      ILE   5  46.313   7.953  -5.125
   57   HG23  ILE   5          HG23      ILE   5  47.475   8.833  -6.143
   58   HD11  ILE   5           HD1      ILE   5  49.812   9.170  -6.212
   59   HD12  ILE   5           HD2      ILE   5  49.723   7.819  -7.368
   60   HD13  ILE   5           HD3      ILE   5  51.231   8.133  -6.478
   61    H    GLY   6           HN       GLY   6  46.012   7.130  -3.013
   62    HA2  GLY   6           HA1      GLY   6  47.026   6.942  -0.409
   63    HA3  GLY   6           HA2      GLY   6  47.797   8.376  -1.115
   64    H    LYS   7           HN       LYS   7  44.755   7.676  -2.475
   65    HA   LYS   7           HA       LYS   7  42.724   8.771  -2.350
   66    HB2  LYS   7           HB2      LYS   7  43.339   9.083   0.614
   67    HB3  LYS   7           HB1      LYS   7  41.739   9.093  -0.166
   68    HG2  LYS   7           HG2      LYS   7  42.224   6.745  -0.993
   69    HG3  LYS   7           HG1      LYS   7  43.680   6.755   0.030
   70    HD2  LYS   7           HD2      LYS   7  42.266   7.211   2.024
   71    HD3  LYS   7           HD1      LYS   7  40.815   7.158   0.995
   72    HE2  LYS   7           HE2      LYS   7  41.435   4.817   0.324
   73    HE3  LYS   7           HE1      LYS   7  42.782   4.881   1.486
   74    HZ1  LYS   7           HZ1      LYS   7  40.829   5.637   3.071
   75    HZ2  LYS   7           HZ2      LYS   7  41.176   3.995   2.803
   76    HZ3  LYS   7           HZ3      LYS   7  39.896   4.743   1.974
   77    H    GLY   8           HN       GLY   8  44.326  10.570   0.304
   78    HA2  GLY   8           HA1      GLY   8  44.907  12.806   0.452
   79    HA3  GLY   8           HA2      GLY   8  44.981  12.853  -1.322
   80    H    VAL   9           HN       VAL   9  42.600  12.687   1.357
   81    HA   VAL   9           HA       VAL   9  40.512  13.906  -0.286
   82    HB   VAL   9           HB       VAL   9  39.272  14.037   1.921
   83   HG11  VAL   9          HG11      VAL   9  39.000  11.603   2.107
   84   HG12  VAL   9          HG12      VAL   9  40.548  11.343   1.269
   85   HG13  VAL   9          HG13      VAL   9  39.172  12.056   0.394
   86   HG21  VAL   9          HG21      VAL   9  41.367  14.274   3.315
   87   HG22  VAL   9          HG22      VAL   9  41.737  12.568   2.964
   88   HG23  VAL   9          HG23      VAL   9  40.274  12.991   3.884
   89    H    LYS  10           HN       LYS  10  43.010  15.425  -0.085
   90    HA   LYS  10           HA       LYS  10  42.412  17.712   1.684
   91    HB2  LYS  10           HB2      LYS  10  44.494  17.605  -0.524
   92    HB3  LYS  10           HB1      LYS  10  44.504  18.582   0.965
   93    HG2  LYS  10           HG2      LYS  10  44.753  15.545   0.785
   94    HG3  LYS  10           HG1      LYS  10  46.048  16.691   1.204
   95    HD2  LYS  10           HD2      LYS  10  44.505  17.461   3.141
   96    HD3  LYS  10           HD1      LYS  10  43.560  15.989   2.809
   97    HE2  LYS  10           HE2      LYS  10  45.141  15.414   4.529
   98    HE3  LYS  10           HE1      LYS  10  45.739  14.677   3.022
   99    HZ1  LYS  10           HZ1      LYS  10  47.615  15.711   3.777
  100    HZ2  LYS  10           HZ2      LYS  10  46.774  16.989   4.516
  101    HZ3  LYS  10           HZ3      LYS  10  46.973  16.961   2.829
  102    H    ILE  11           HN       ILE  11  41.459  16.638  -1.386
  103    HA   ILE  11           HA       ILE  11  40.381  19.362  -2.047
  104    HB   ILE  11           HB       ILE  11  41.610  17.519  -4.133
  105   HG12  ILE  11          HG12      ILE  11  42.838  19.937  -2.727
  106   HG13  ILE  11          HG11      ILE  11  43.395  18.252  -2.601
  107   HG21  ILE  11          HG21      ILE  11  41.363  19.395  -5.611
  108   HG22  ILE  11          HG22      ILE  11  41.030  20.509  -4.263
  109   HG23  ILE  11          HG23      ILE  11  39.825  19.285  -4.727
  110   HD11  ILE  11           HD1      ILE  11  43.526  20.114  -4.997
  111   HD12  ILE  11           HD2      ILE  11  43.643  18.348  -5.193
  112   HD13  ILE  11           HD3      ILE  11  44.845  19.217  -4.212
  113    H    ILE  12           HN       ILE  12  40.411  15.853  -2.596
  114    HA   ILE  12           HA       ILE  12  37.845  15.843  -3.990
  115    HB   ILE  12           HB       ILE  12  39.408  13.646  -2.597
  116   HG12  ILE  12          HG12      ILE  12  39.275  14.230  -5.594
  117   HG13  ILE  12          HG11      ILE  12  40.531  14.927  -4.548
  118   HG21  ILE  12          HG21      ILE  12  38.054  12.169  -4.230
  119   HG22  ILE  12          HG22      ILE  12  37.040  13.600  -4.521
  120   HG23  ILE  12          HG23      ILE  12  37.134  12.890  -2.894
  121   HD11  ILE  12           HD1      ILE  12  41.589  12.989  -5.359
  122   HD12  ILE  12           HD2      ILE  12  40.097  12.029  -5.329
  123   HD13  ILE  12           HD3      ILE  12  40.938  12.413  -3.809
  124    H    GLY  13           HN       GLY  13  38.473  13.736  -1.206
  125    HA2  GLY  13           HA1      GLY  13  35.865  14.145  -0.083
  126    HA3  GLY  13           HA2      GLY  13  37.269  13.433   0.747
  127    H    GLY  14           HN       GLY  14  38.477  16.048  -0.522
  128    HA2  GLY  14           HA1      GLY  14  38.360  17.613   1.985
  129    HA3  GLY  14           HA2      GLY  14  39.356  17.949   0.550
  130    H    ALA  15           HN       ALA  15  37.429  17.953  -1.479
  131    HA   ALA  15           HA       ALA  15  36.061  20.536  -0.832
  132    HB1  ALA  15           HB1      ALA  15  37.261  20.277  -2.998
  133    HB2  ALA  15           HB2      ALA  15  35.525  20.596  -3.216
  134    HB3  ALA  15           HB3      ALA  15  36.157  18.948  -3.429
  135    H    ALA  16           HN       ALA  16  35.401  17.940   0.391
  136    HA   ALA  16           HA       ALA  16  33.435  16.999   1.160
  137    HB1  ALA  16           HB1      ALA  16  31.761  18.411  -0.928
  138    HB2  ALA  16           HB2      ALA  16  32.438  19.332   0.436
  139    HB3  ALA  16           HB3      ALA  16  31.345  17.961   0.743
  140    H    LEU  17           HN       LEU  17  35.187  15.851  -0.801
  141    HA   LEU  17           HA       LEU  17  35.178  14.101  -2.339
  142    HB2  LEU  17           HB2      LEU  17  33.420  13.435  -0.323
  143    HB3  LEU  17           HB1      LEU  17  32.359  13.266  -1.734
  144    HG   LEU  17           HG       LEU  17  35.090  11.927  -1.414
  145   HD11  LEU  17          HD11      LEU  17  32.274  10.768  -1.257
  146   HD12  LEU  17          HD12      LEU  17  33.342  11.054   0.138
  147   HD13  LEU  17          HD13      LEU  17  33.796   9.860  -1.102
  148   HD21  LEU  17          HD21      LEU  17  34.250  10.588  -3.396
  149   HD22  LEU  17          HD22      LEU  17  34.576  12.297  -3.762
  150   HD23  LEU  17          HD23      LEU  17  32.901  11.738  -3.532
  151    H    ASP  18           HN       ASP  18  33.822  16.813  -2.935
  152    HA   ASP  18           HA       ASP  18  32.768  17.794  -4.746
  153    HB2  ASP  18           HB2      ASP  18  34.578  16.622  -5.969
  154    HB3  ASP  18           HB1      ASP  18  33.522  15.204  -6.156
  155    H    HIS  19           HN       HIS  19  31.945  14.446  -5.678
  156    HA   HIS  19           HA       HIS  19  29.271  14.974  -6.327
  157    HB2  HIS  19           HB2      HIS  19  30.456  12.863  -6.857
  158    HB3  HIS  19           HB1      HIS  19  30.396  12.407  -5.137
  159    HD1  HIS  19           HD1      HIS  19  28.595  10.723  -4.784
  160    HD2  HIS  19           HD2      HIS  19  27.503  13.608  -7.640
  161    HE1  HIS  19           HE1      HIS  19  26.188  10.230  -5.484
  162    H    LEU  20           HN       LEU  20  30.389  13.417  -3.278
  163    HA   LEU  20           HA       LEU  20  28.638  15.048  -1.651
  164    HB2  LEU  20           HB2      LEU  20  27.009  13.462  -2.837
  165    HB3  LEU  20           HB1      LEU  20  27.792  12.144  -1.937
  166    HG   LEU  20           HG       LEU  20  27.321  13.675   0.188
  167   HD11  LEU  20          HD11      LEU  20  25.293  14.712  -1.848
  168   HD12  LEU  20          HD12      LEU  20  26.506  15.668  -0.965
  169   HD13  LEU  20          HD13      LEU  20  25.148  14.929  -0.091
  170   HD21  LEU  20          HD21      LEU  20  25.104  12.185  -1.290
  171   HD22  LEU  20          HD22      LEU  20  25.083  12.610   0.439
  172   HD23  LEU  20          HD23      LEU  20  26.297  11.466  -0.182
  Start of MODEL   89
    1    H1   TRP   1           HT1      TRP   1  32.763  19.083  12.474
    2    H2   TRP   1           HT2      TRP   1  31.406  19.317  11.479
    3    H3   TRP   1           HT3      TRP   1  32.313  20.650  12.010
    4    HA   TRP   1           HA       TRP   1  32.982  20.378   9.849
    5    HB2  TRP   1           HB2      TRP   1  34.965  18.728  11.459
    6    HB3  TRP   1           HB1      TRP   1  35.298  19.738  10.032
    7    HD1  TRP   1           HD1      TRP   1  34.576  19.937  13.767
    8    HE1  TRP   1           HE1      TRP   1  35.056  22.342  14.633
    9    HE3  TRP   1           HE3      TRP   1  35.366  22.266   9.278
   10    HZ2  TRP   1           HZ2      TRP   1  35.692  24.912  13.499
   11    HZ3  TRP   1           HZ3      TRP   1  35.909  24.695   9.193
   12    HH2  TRP   1           HH2      TRP   1  36.072  26.018  11.298
   13    H    LEU   2           HN       LEU   2  34.022  18.896   8.198
   14    HA   LEU   2           HA       LEU   2  32.256  16.608   7.833
   15    HB2  LEU   2           HB2      LEU   2  34.771  17.171   6.227
   16    HB3  LEU   2           HB1      LEU   2  33.258  16.398   5.695
   17    HG   LEU   2           HG       LEU   2  33.635  19.327   6.462
   18   HD11  LEU   2          HD11      LEU   2  34.505  18.633   4.221
   19   HD12  LEU   2          HD12      LEU   2  33.119  19.744   4.100
   20   HD13  LEU   2          HD13      LEU   2  32.891  18.001   3.818
   21   HD21  LEU   2          HD21      LEU   2  31.162  17.686   5.773
   22   HD22  LEU   2          HD22      LEU   2  31.208  19.457   5.588
   23   HD23  LEU   2          HD23      LEU   2  31.432  18.723   7.193
   24    H    ARG   3           HN       ARG   3  35.197  17.121   9.472
   25    HA   ARG   3           HA       ARG   3  36.503  15.644  10.681
   26    HB2  ARG   3           HB2      ARG   3  34.223  14.301  10.746
   27    HB3  ARG   3           HB1      ARG   3  35.028  13.236   9.576
   28    HG2  ARG   3           HG2      ARG   3  35.662  12.199  11.575
   29    HG3  ARG   3           HG1      ARG   3  37.030  13.311  11.353
   30    HD2  ARG   3           HD2      ARG   3  35.815  14.983  12.819
   31    HD3  ARG   3           HD1      ARG   3  34.583  13.738  13.126
   32    HE   ARG   3           HE       ARG   3  37.204  12.691  13.703
   33   HH11  ARG   3          HH11      ARG   3  37.230  15.415  15.033
   34   HH12  ARG   3          HH12      ARG   3  36.600  15.037  16.601
   35   HH21  ARG   3          HH21      ARG   3  35.335  11.953  15.643
   36   HH22  ARG   3          HH22      ARG   3  35.527  13.078  16.948
   37    H    ARG   4           HN       ARG   4  35.671  14.684   7.357
   38    HA   ARG   4           HA       ARG   4  38.194  13.263   6.954
   39    HB2  ARG   4           HB2      ARG   4  36.154  14.313   4.951
   40    HB3  ARG   4           HB1      ARG   4  37.479  13.179   4.594
   41    HG2  ARG   4           HG2      ARG   4  36.523  11.615   6.326
   42    HG3  ARG   4           HG1      ARG   4  35.134  12.717   6.485
   43    HD2  ARG   4           HD2      ARG   4  34.788  12.476   3.974
   44    HD3  ARG   4           HD1      ARG   4  36.007  11.178   4.007
   45    HE   ARG   4           HE       ARG   4  33.265  10.908   4.842
   46   HH11  ARG   4          HH11      ARG   4  33.192   9.931   7.143
   47   HH12  ARG   4          HH12      ARG   4  34.198   8.531   7.309
   48   HH21  ARG   4          HH21      ARG   4  35.998   9.152   4.411
   49   HH22  ARG   4          HH22      ARG   4  35.785   8.089   5.762
   50    H    ILE   5           HN       ILE   5  37.061  16.553   6.733
   51    HA   ILE   5           HA       ILE   5  38.862  17.617   4.836
   52    HB   ILE   5           HB       ILE   5  37.010  18.917   5.882
   53   HG12  ILE   5          HG12      ILE   5  38.240  21.051   6.230
   54   HG13  ILE   5          HG11      ILE   5  39.771  20.159   6.345
   55   HG21  ILE   5          HG21      ILE   5  37.464  17.969   8.204
   56   HG22  ILE   5          HG22      ILE   5  37.150  19.720   8.145
   57   HG23  ILE   5          HG23      ILE   5  38.817  19.120   8.323
   58   HD11  ILE   5           HD1      ILE   5  38.016  19.793   3.894
   59   HD12  ILE   5           HD2      ILE   5  39.782  19.621   4.050
   60   HD13  ILE   5           HD3      ILE   5  39.045  21.238   4.033
   61    H    GLY   6           HN       GLY   6  39.298  16.854   8.284
   62    HA2  GLY   6           HA1      GLY   6  41.990  17.979   8.382
   63    HA3  GLY   6           HA2      GLY   6  41.197  16.993   9.625
   64    H    LYS   7           HN       LYS   7  40.644  15.107   7.141
   65    HA   LYS   7           HA       LYS   7  43.267  14.059   6.484
   66    HB2  LYS   7           HB2      LYS   7  43.030  13.398   8.926
   67    HB3  LYS   7           HB1      LYS   7  41.648  12.388   8.442
   68    HG2  LYS   7           HG2      LYS   7  43.132  11.199   6.812
   69    HG3  LYS   7           HG1      LYS   7  44.509  12.156   7.410
   70    HD2  LYS   7           HD2      LYS   7  43.971  11.278   9.740
   71    HD3  LYS   7           HD1      LYS   7  42.819  10.161   8.972
   72    HE2  LYS   7           HE2      LYS   7  45.822  10.324   8.481
   73    HE3  LYS   7           HE1      LYS   7  44.931   8.991   9.252
   74    HZ1  LYS   7           HZ1      LYS   7  45.197   8.284   7.075
   75    HZ2  LYS   7           HZ2      LYS   7  44.933   9.827   6.415
   76    HZ3  LYS   7           HZ3      LYS   7  43.632   8.939   7.053
   77    H    GLY   8           HN       GLY   8  42.723  13.702   4.409
   78    HA2  GLY   8           HA1      GLY   8  41.012  11.457   3.796
   79    HA3  GLY   8           HA2      GLY   8  40.204  12.990   3.415
   80    H    VAL   9           HN       VAL   9  41.017  14.341   1.784
   81    HA   VAL   9           HA       VAL   9  43.309  13.319   0.171
   82    HB   VAL   9           HB       VAL   9  40.604  13.889  -1.119
   83   HG11  VAL   9          HG11      VAL   9  42.481  14.238  -2.620
   84   HG12  VAL   9          HG12      VAL   9  41.730  12.682  -3.043
   85   HG13  VAL   9          HG13      VAL   9  43.242  12.714  -2.105
   86   HG21  VAL   9          HG21      VAL   9  40.348  11.878   0.228
   87   HG22  VAL   9          HG22      VAL   9  41.907  11.241  -0.348
   88   HG23  VAL   9          HG23      VAL   9  40.535  11.384  -1.471
   89    H    LYS  10           HN       LYS  10  41.259  15.779   1.379
   90    HA   LYS  10           HA       LYS  10  41.499  18.073   1.382
   91    HB2  LYS  10           HB2      LYS  10  44.021  17.409   1.326
   92    HB3  LYS  10           HB1      LYS  10  43.951  17.857  -0.388
   93    HG2  LYS  10           HG2      LYS  10  44.691  19.808   0.795
   94    HG3  LYS  10           HG1      LYS  10  43.007  20.110   0.319
   95    HD2  LYS  10           HD2      LYS  10  42.202  19.941   2.524
   96    HD3  LYS  10           HD1      LYS  10  43.540  18.896   3.050
   97    HE2  LYS  10           HE2      LYS  10  43.674  21.219   3.986
   98    HE3  LYS  10           HE1      LYS  10  45.090  20.789   2.997
   99    HZ1  LYS  10           HZ1      LYS  10  42.729  22.337   2.047
  100    HZ2  LYS  10           HZ2      LYS  10  44.107  21.953   1.131
  101    HZ3  LYS  10           HZ3      LYS  10  44.234  23.000   2.463
  102    H    ILE  11           HN       ILE  11  41.299  16.210  -1.458
  103    HA   ILE  11           HA       ILE  11  40.297  18.595  -3.021
  104    HB   ILE  11           HB       ILE  11  41.449  16.041  -4.201
  105   HG12  ILE  11          HG12      ILE  11  42.830  18.694  -3.585
  106   HG13  ILE  11          HG11      ILE  11  43.211  17.110  -2.872
  107   HG21  ILE  11          HG21      ILE  11  39.903  17.609  -5.544
  108   HG22  ILE  11          HG22      ILE  11  41.498  17.285  -6.256
  109   HG23  ILE  11          HG23      ILE  11  41.194  18.826  -5.417
  110   HD11  ILE  11           HD1      ILE  11  43.664  18.063  -5.719
  111   HD12  ILE  11           HD2      ILE  11  43.615  16.326  -5.325
  112   HD13  ILE  11           HD3      ILE  11  44.841  17.377  -4.577
  113    H    ILE  12           HN       ILE  12  40.037  15.054  -2.538
  114    HA   ILE  12           HA       ILE  12  37.307  15.102  -3.761
  115    HB   ILE  12           HB       ILE  12  39.044  12.802  -2.794
  116   HG12  ILE  12          HG12      ILE  12  40.166  13.922  -4.629
  117   HG13  ILE  12          HG11      ILE  12  39.480  12.407  -5.247
  118   HG21  ILE  12          HG21      ILE  12  37.379  11.616  -4.572
  119   HG22  ILE  12          HG22      ILE  12  36.315  12.957  -4.091
  120   HG23  ILE  12          HG23      ILE  12  36.927  11.824  -2.866
  121   HD11  ILE  12           HD1      ILE  12  38.881  13.966  -6.913
  122   HD12  ILE  12           HD2      ILE  12  38.563  15.258  -5.734
  123   HD13  ILE  12           HD3      ILE  12  37.415  13.910  -5.910
  124    H    GLY  13           HN       GLY  13  38.101  12.643  -1.402
  125    HA2  GLY  13           HA1      GLY  13  35.801  13.089   0.181
  126    HA3  GLY  13           HA2      GLY  13  37.274  12.261   0.732
  127    H    GLY  14           HN       GLY  14  38.485  14.930  -0.328
  128    HA2  GLY  14           HA1      GLY  14  38.596  16.246   2.320
  129    HA3  GLY  14           HA2      GLY  14  39.548  16.649   0.875
  130    H    ALA  15           HN       ALA  15  37.655  17.022  -1.092
  131    HA   ALA  15           HA       ALA  15  36.404  19.558  -0.106
  132    HB1  ALA  15           HB1      ALA  15  37.645  19.285  -2.354
  133    HB2  ALA  15           HB2      ALA  15  36.059  20.093  -2.387
  134    HB3  ALA  15           HB3      ALA  15  36.202  18.397  -2.904
  135    H    ALA  16           HN       ALA  16  35.622  16.837   0.759
  136    HA   ALA  16           HA       ALA  16  33.611  15.904   1.424
  137    HB1  ALA  16           HB1      ALA  16  31.575  17.027   1.183
  138    HB2  ALA  16           HB2      ALA  16  31.998  17.680  -0.417
  139    HB3  ALA  16           HB3      ALA  16  32.739  18.365   1.048
  140    H    LEU  17           HN       LEU  17  35.189  14.698  -0.441
  141    HA   LEU  17           HA       LEU  17  35.078  13.048  -2.071
  142    HB2  LEU  17           HB2      LEU  17  32.048  13.164  -1.823
  143    HB3  LEU  17           HB1      LEU  17  33.027  11.821  -2.439
  144    HG   LEU  17           HG       LEU  17  33.471  12.814   0.403
  145   HD11  LEU  17          HD11      LEU  17  31.805  11.148   1.189
  146   HD12  LEU  17          HD12      LEU  17  31.324  10.846  -0.499
  147   HD13  LEU  17          HD13      LEU  17  31.043  12.443   0.236
  148   HD21  LEU  17          HD21      LEU  17  34.279  10.571   0.763
  149   HD22  LEU  17          HD22      LEU  17  34.979  11.099  -0.783
  150   HD23  LEU  17          HD23      LEU  17  33.583  10.000  -0.770
  151    H    ASP  18           HN       ASP  18  34.042  16.120  -2.469
  152    HA   ASP  18           HA       ASP  18  33.527  17.427  -4.319
  153    HB2  ASP  18           HB2      ASP  18  35.762  16.582  -4.986
  154    HB3  ASP  18           HB1      ASP  18  34.987  15.197  -5.791
  155    H    HIS  19           HN       HIS  19  31.388  15.887  -3.521
  156    HA   HIS  19           HA       HIS  19  29.360  15.057  -4.283
  157    HB2  HIS  19           HB2      HIS  19  29.455  17.227  -5.549
  158    HB3  HIS  19           HB1      HIS  19  30.156  16.341  -6.924
  159    HD1  HIS  19           HD1      HIS  19  27.408  14.987  -4.651
  160    HD2  HIS  19           HD2      HIS  19  27.856  16.478  -8.557
  161    HE1  HIS  19           HE1      HIS  19  25.233  14.506  -5.904
  162    H    LEU  20           HN       LEU  20  31.671  13.332  -4.451
  163    HA   LEU  20           HA       LEU  20  30.523  11.286  -6.163
  164    HB2  LEU  20           HB2      LEU  20  31.936  12.925  -7.692
  165    HB3  LEU  20           HB1      LEU  20  33.331  12.077  -6.997
  166    HG   LEU  20           HG       LEU  20  30.995  10.811  -8.502
  167   HD11  LEU  20          HD11      LEU  20  32.665  12.015  -9.901
  168   HD12  LEU  20          HD12      LEU  20  32.724  10.256 -10.169
  169   HD13  LEU  20          HD13      LEU  20  33.964  11.046  -9.165
  170   HD21  LEU  20          HD21      LEU  20  31.629   9.201  -6.858
  171   HD22  LEU  20          HD22      LEU  20  33.355   9.618  -6.991
  172   HD23  LEU  20          HD23      LEU  20  32.547   8.734  -8.307
  Start of MODEL   90
    1    H1   TRP   1           HT1      TRP   1  36.332   0.270   9.928
    2    H2   TRP   1           HT2      TRP   1  35.403   0.441   8.516
    3    H3   TRP   1           HT3      TRP   1  35.651   1.773   9.542
    4    HA   TRP   1           HA       TRP   1  37.926   1.875   9.033
    5    HB2  TRP   1           HB2      TRP   1  37.460  -0.564   7.276
    6    HB3  TRP   1           HB1      TRP   1  39.004   0.269   7.573
    7    HD1  TRP   1           HD1      TRP   1  39.994   0.122  10.094
    8    HE1  TRP   1           HE1      TRP   1  39.768  -1.719  11.917
    9    HE3  TRP   1           HE3      TRP   1  35.916  -2.357   8.239
   10    HZ2  TRP   1           HZ2      TRP   1  38.037  -3.954  12.467
   11    HZ3  TRP   1           HZ3      TRP   1  34.994  -4.340   9.429
   12    HH2  TRP   1           HH2      TRP   1  36.050  -5.140  11.539
   13    H    LEU   2           HN       LEU   2  38.199   3.536   7.701
   14    HA   LEU   2           HA       LEU   2  36.197   4.180   5.719
   15    HB2  LEU   2           HB2      LEU   2  38.967   5.395   5.901
   16    HB3  LEU   2           HB1      LEU   2  37.464   6.152   5.324
   17    HG   LEU   2           HG       LEU   2  38.086   5.299   8.186
   18   HD11  LEU   2          HD11      LEU   2  37.569   8.049   6.971
   19   HD12  LEU   2          HD12      LEU   2  39.184   7.399   7.349
   20   HD13  LEU   2          HD13      LEU   2  38.013   7.696   8.658
   21   HD21  LEU   2          HD21      LEU   2  35.553   6.339   6.850
   22   HD22  LEU   2          HD22      LEU   2  35.845   6.553   8.593
   23   HD23  LEU   2          HD23      LEU   2  35.745   4.918   7.904
   24    H    ARG   3           HN       ARG   3  39.702   3.777   5.267
   25    HA   ARG   3           HA       ARG   3  39.470   1.814   3.169
   26    HB2  ARG   3           HB2      ARG   3  38.553   3.902   2.013
   27    HB3  ARG   3           HB1      ARG   3  40.170   4.619   2.211
   28    HG2  ARG   3           HG2      ARG   3  41.167   2.735   0.952
   29    HG3  ARG   3           HG1      ARG   3  39.555   2.003   0.764
   30    HD2  ARG   3           HD2      ARG   3  38.790   4.055  -0.435
   31    HD3  ARG   3           HD1      ARG   3  40.434   4.723  -0.301
   32    HE   ARG   3           HE       ARG   3  39.595   2.879  -2.302
   33   HH11  ARG   3          HH11      ARG   3  42.045   4.160  -2.891
   34   HH12  ARG   3          HH12      ARG   3  43.273   2.989  -2.544
   35   HH21  ARG   3          HH21      ARG   3  41.201   1.004  -0.595
   36   HH22  ARG   3          HH22      ARG   3  42.795   1.202  -1.243
   37    H    ARG   4           HN       ARG   4  41.001   4.060   5.185
   38    HA   ARG   4           HA       ARG   4  43.405   2.564   5.446
   39    HB2  ARG   4           HB2      ARG   4  44.976   4.316   4.450
   40    HB3  ARG   4           HB1      ARG   4  44.095   3.317   3.269
   41    HG2  ARG   4           HG2      ARG   4  42.486   5.074   2.864
   42    HG3  ARG   4           HG1      ARG   4  43.121   6.043   4.217
   43    HD2  ARG   4           HD2      ARG   4  43.885   6.698   1.827
   44    HD3  ARG   4           HD1      ARG   4  45.147   6.524   3.070
   45    HE   ARG   4           HE       ARG   4  46.007   4.731   1.810
   46   HH11  ARG   4          HH11      ARG   4  45.048   2.496   1.311
   47   HH12  ARG   4          HH12      ARG   4  43.945   2.507  -0.025
   48   HH21  ARG   4          HH21      ARG   4  43.559   5.953  -0.019
   49   HH22  ARG   4          HH22      ARG   4  43.103   4.465  -0.779
   50    H    ILE   5           HN       ILE   5  41.127   4.537   6.484
   51    HA   ILE   5           HA       ILE   5  40.924   5.967   8.295
   52    HB   ILE   5           HB       ILE   5  43.729   5.097   9.109
   53   HG12  ILE   5          HG12      ILE   5  42.615   3.030   8.692
   54   HG13  ILE   5          HG11      ILE   5  42.459   3.286  10.439
   55   HG21  ILE   5          HG21      ILE   5  41.317   6.226  10.581
   56   HG22  ILE   5          HG22      ILE   5  42.978   6.851  10.516
   57   HG23  ILE   5          HG23      ILE   5  42.624   5.371  11.432
   58   HD11  ILE   5           HD1      ILE   5  40.343   3.682   8.287
   59   HD12  ILE   5           HD2      ILE   5  40.157   4.331   9.931
   60   HD13  ILE   5           HD3      ILE   5  40.300   2.579   9.680
   61    H    GLY   6           HN       GLY   6  40.987   7.762   6.818
   62    HA2  GLY   6           HA1      GLY   6  43.075   9.665   7.557
   63    HA3  GLY   6           HA2      GLY   6  43.180   9.141   5.865
   64    H    LYS   7           HN       LYS   7  40.026   8.800   6.436
   65    HA   LYS   7           HA       LYS   7  38.173  10.039   5.805
   66    HB2  LYS   7           HB2      LYS   7  39.707  12.345   7.077
   67    HB3  LYS   7           HB1      LYS   7  37.956  12.278   6.770
   68    HG2  LYS   7           HG2      LYS   7  37.642  10.507   8.360
   69    HG3  LYS   7           HG1      LYS   7  39.390  10.215   8.487
   70    HD2  LYS   7           HD2      LYS   7  38.517  11.485  10.443
   71    HD3  LYS   7           HD1      LYS   7  39.721  12.417   9.524
   72    HE2  LYS   7           HE2      LYS   7  37.541  13.638  10.239
   73    HE3  LYS   7           HE1      LYS   7  38.070  13.817   8.551
   74    HZ1  LYS   7           HZ1      LYS   7  36.527  12.110   7.895
   75    HZ2  LYS   7           HZ2      LYS   7  35.686  13.294   8.777
   76    HZ3  LYS   7           HZ3      LYS   7  36.085  11.811   9.505
   77    H    GLY   8           HN       GLY   8  38.096  12.882   5.102
   78    HA2  GLY   8           HA1      GLY   8  38.266  12.824   2.368
   79    HA3  GLY   8           HA2      GLY   8  38.551  14.297   3.313
   80    H    VAL   9           HN       VAL   9  39.704  13.226   0.741
   81    HA   VAL   9           HA       VAL   9  42.467  12.543   1.303
   82    HB   VAL   9           HB       VAL   9  41.234  13.680  -1.247
   83   HG11  VAL   9          HG11      VAL   9  43.870  12.286  -0.620
   84   HG12  VAL   9          HG12      VAL   9  43.639  13.911  -1.309
   85   HG13  VAL   9          HG13      VAL   9  43.232  12.469  -2.271
   86   HG21  VAL   9          HG21      VAL   9  41.711  10.815  -0.307
   87   HG22  VAL   9          HG22      VAL   9  41.198  11.274  -1.949
   88   HG23  VAL   9          HG23      VAL   9  40.131  11.594  -0.559
   89    H    LYS  10           HN       LYS  10  41.381  15.373  -0.596
   90    HA   LYS  10           HA       LYS  10  42.521  17.323   1.188
   91    HB2  LYS  10           HB2      LYS  10  44.662  16.349   0.523
   92    HB3  LYS  10           HB1      LYS  10  44.221  16.467  -1.193
   93    HG2  LYS  10           HG2      LYS  10  45.766  18.289  -0.463
   94    HG3  LYS  10           HG1      LYS  10  44.222  18.918  -1.072
   95    HD2  LYS  10           HD2      LYS  10  43.446  19.473   1.104
   96    HD3  LYS  10           HD1      LYS  10  44.616  18.393   1.899
   97    HE2  LYS  10           HE2      LYS  10  46.467  19.872   1.222
   98    HE3  LYS  10           HE1      LYS  10  45.326  20.930   0.358
   99    HZ1  LYS  10           HZ1      LYS  10  45.313  22.010   2.319
  100    HZ2  LYS  10           HZ2      LYS  10  45.820  20.658   3.214
  101    HZ3  LYS  10           HZ3      LYS  10  44.189  20.822   2.766
  102    H    ILE  11           HN       ILE  11  41.130  16.240  -1.766
  103    HA   ILE  11           HA       ILE  11  40.097  19.001  -2.292
  104    HB   ILE  11           HB       ILE  11  41.143  17.232  -4.544
  105   HG12  ILE  11          HG12      ILE  11  42.513  19.550  -3.100
  106   HG13  ILE  11          HG11      ILE  11  43.052  17.855  -3.131
  107   HG21  ILE  11          HG21      ILE  11  40.609  20.232  -4.492
  108   HG22  ILE  11          HG22      ILE  11  39.350  19.048  -4.915
  109   HG23  ILE  11          HG23      ILE  11  40.820  19.176  -5.909
  110   HD11  ILE  11           HD1      ILE  11  43.021  19.871  -5.400
  111   HD12  ILE  11           HD2      ILE  11  43.095  18.120  -5.722
  112   HD13  ILE  11           HD3      ILE  11  44.386  18.912  -4.787
  113    H    ILE  12           HN       ILE  12  40.043  15.530  -3.156
  114    HA   ILE  12           HA       ILE  12  37.294  15.692  -4.165
  115    HB   ILE  12           HB       ILE  12  39.028  13.322  -3.393
  116   HG12  ILE  12          HG12      ILE  12  38.481  14.452  -6.181
  117   HG13  ILE  12          HG11      ILE  12  39.913  14.888  -5.222
  118   HG21  ILE  12          HG21      ILE  12  36.740  12.584  -3.489
  119   HG22  ILE  12          HG22      ILE  12  37.441  12.130  -5.053
  120   HG23  ILE  12          HG23      ILE  12  36.404  13.569  -4.930
  121   HD11  ILE  12           HD1      ILE  12  40.771  13.121  -6.494
  122   HD12  ILE  12           HD2      ILE  12  39.225  12.251  -6.540
  123   HD13  ILE  12           HD3      ILE  12  40.217  12.227  -5.062
  124    H    GLY  13           HN       GLY  13  38.266  13.146  -1.899
  125    HA2  GLY  13           HA1      GLY  13  35.863  13.350  -0.351
  126    HA3  GLY  13           HA2      GLY  13  37.363  12.533   0.146
  127    H    GLY  14           HN       GLY  14  38.438  15.300  -0.809
  128    HA2  GLY  14           HA1      GLY  14  38.682  16.454   1.891
  129    HA3  GLY  14           HA2      GLY  14  39.470  17.022   0.403
  130    H    ALA  15           HN       ALA  15  37.330  17.398  -1.334
  131    HA   ALA  15           HA       ALA  15  36.074  19.794  -0.049
  132    HB1  ALA  15           HB1      ALA  15  36.981  19.916  -2.380
  133    HB2  ALA  15           HB2      ALA  15  35.249  20.305  -2.279
  134    HB3  ALA  15           HB3      ALA  15  35.767  18.713  -2.880
  135    H    ALA  16           HN       ALA  16  35.541  17.035   0.793
  136    HA   ALA  16           HA       ALA  16  33.684  15.937   1.615
  137    HB1  ALA  16           HB1      ALA  16  31.775  17.704   0.070
  138    HB2  ALA  16           HB2      ALA  16  32.643  18.355   1.480
  139    HB3  ALA  16           HB3      ALA  16  31.574  16.943   1.666
  140    H    LEU  17           HN       LEU  17  35.138  15.129  -0.687
  141    HA   LEU  17           HA       LEU  17  34.894  13.639  -2.467
  142    HB2  LEU  17           HB2      LEU  17  33.459  12.519  -0.599
  143    HB3  LEU  17           HB1      LEU  17  32.058  13.104  -1.522
  144    HG   LEU  17           HG       LEU  17  33.359  11.957  -3.584
  145   HD11  LEU  17          HD11      LEU  17  35.322  11.378  -2.027
  146   HD12  LEU  17          HD12      LEU  17  34.666  10.034  -2.988
  147   HD13  LEU  17          HD13      LEU  17  34.244  10.188  -1.265
  148   HD21  LEU  17          HD21      LEU  17  31.106  11.316  -2.767
  149   HD22  LEU  17          HD22      LEU  17  31.850  10.358  -1.464
  150   HD23  LEU  17          HD23      LEU  17  32.076   9.878  -3.163
  151    H    ASP  18           HN       ASP  18  34.253  16.400  -2.887
  152    HA   ASP  18           HA       ASP  18  33.264  17.765  -4.475
  153    HB2  ASP  18           HB2      ASP  18  33.004  15.115  -5.952
  154    HB3  ASP  18           HB1      ASP  18  32.784  16.722  -6.684
  155    H    HIS  19           HN       HIS  19  31.294  14.930  -5.326
  156    HA   HIS  19           HA       HIS  19  28.851  16.318  -5.416
  157    HB2  HIS  19           HB2      HIS  19  29.191  13.410  -4.595
  158    HB3  HIS  19           HB1      HIS  19  27.779  14.153  -5.382
  159    HD1  HIS  19           HD1      HIS  19  30.800  12.297  -6.138
  160    HD2  HIS  19           HD2      HIS  19  28.557  15.279  -8.079
  161    HE1  HIS  19           HE1      HIS  19  31.496  12.294  -8.596
  162    H    LEU  20           HN       LEU  20  29.847  14.073  -2.779
  163    HA   LEU  20           HA       LEU  20  27.765  14.991  -1.016
  164    HB2  LEU  20           HB2      LEU  20  29.263  12.798  -1.014
  165    HB3  LEU  20           HB1      LEU  20  30.341  13.765   0.014
  166    HG   LEU  20           HG       LEU  20  27.396  13.139   0.531
  167   HD11  LEU  20          HD11      LEU  20  28.218  11.828   2.387
  168   HD12  LEU  20          HD12      LEU  20  29.878  12.424   2.147
  169   HD13  LEU  20          HD13      LEU  20  29.141  11.334   0.948
  170   HD21  LEU  20          HD21      LEU  20  27.967  14.290   2.784
  171   HD22  LEU  20          HD22      LEU  20  27.730  15.349   1.377
  172   HD23  LEU  20          HD23      LEU  20  29.377  14.975   1.940
  Start of MODEL   91
    1    H1   TRP   1           HT1      TRP   1  50.151  18.079  -3.241
    2    H2   TRP   1           HT2      TRP   1  51.625  18.041  -2.398
    3    H3   TRP   1           HT3      TRP   1  50.319  17.089  -1.875
    4    HA   TRP   1           HA       TRP   1  52.317  16.187  -3.344
    5    HB2  TRP   1           HB2      TRP   1  49.415  15.283  -3.521
    6    HB3  TRP   1           HB1      TRP   1  50.855  14.289  -3.850
    7    HD1  TRP   1           HD1      TRP   1  48.825  15.813  -1.018
    8    HE1  TRP   1           HE1      TRP   1  49.631  14.860   1.263
    9    HE3  TRP   1           HE3      TRP   1  52.990  13.303  -2.619
   10    HZ2  TRP   1           HZ2      TRP   1  51.799  13.229   2.228
   11    HZ3  TRP   1           HZ3      TRP   1  54.412  12.055  -1.000
   12    HH2  TRP   1           HH2      TRP   1  53.821  12.017   1.419
   13    H    LEU   2           HN       LEU   2  52.055  15.025  -5.563
   14    HA   LEU   2           HA       LEU   2  51.829  17.143  -7.545
   15    HB2  LEU   2           HB2      LEU   2  52.012  14.168  -8.129
   16    HB3  LEU   2           HB1      LEU   2  52.621  15.530  -9.099
   17    HG   LEU   2           HG       LEU   2  53.659  14.640  -6.372
   18   HD11  LEU   2          HD11      LEU   2  55.725  14.137  -7.664
   19   HD12  LEU   2          HD12      LEU   2  54.888  14.603  -9.164
   20   HD13  LEU   2          HD13      LEU   2  54.339  13.183  -8.243
   21   HD21  LEU   2          HD21      LEU   2  53.895  17.020  -6.426
   22   HD22  LEU   2          HD22      LEU   2  54.314  17.022  -8.156
   23   HD23  LEU   2          HD23      LEU   2  55.473  16.396  -6.958
   24    H    ARG   3           HN       ARG   3  49.646  14.925  -6.112
   25    HA   ARG   3           HA       ARG   3  47.376  14.648  -6.434
   26    HB2  ARG   3           HB2      ARG   3  47.574  17.141  -7.236
   27    HB3  ARG   3           HB1      ARG   3  47.398  16.461  -8.869
   28    HG2  ARG   3           HG2      ARG   3  45.281  15.371  -8.203
   29    HG3  ARG   3           HG1      ARG   3  45.453  16.028  -6.556
   30    HD2  ARG   3           HD2      ARG   3  45.385  18.327  -7.446
   31    HD3  ARG   3           HD1      ARG   3  45.259  17.694  -9.106
   32    HE   ARG   3           HE       ARG   3  43.091  17.837  -7.149
   33   HH11  ARG   3          HH11      ARG   3  43.030  18.076 -10.225
   34   HH12  ARG   3          HH12      ARG   3  42.104  16.671 -10.632
   35   HH21  ARG   3          HH21      ARG   3  42.473  15.198  -7.514
   36   HH22  ARG   3          HH22      ARG   3  41.789  15.041  -9.097
   37    H    ARG   4           HN       ARG   4  49.451  14.605  -9.314
   38    HA   ARG   4           HA       ARG   4  47.679  12.782 -10.773
   39    HB2  ARG   4           HB2      ARG   4  50.543  13.704 -11.216
   40    HB3  ARG   4           HB1      ARG   4  49.671  12.614 -12.321
   41    HG2  ARG   4           HG2      ARG   4  47.967  14.294 -12.739
   42    HG3  ARG   4           HG1      ARG   4  48.647  15.362 -11.487
   43    HD2  ARG   4           HD2      ARG   4  50.724  15.605 -12.779
   44    HD3  ARG   4           HD1      ARG   4  50.114  14.473 -14.010
   45    HE   ARG   4           HE       ARG   4  48.898  16.273 -14.919
   46   HH11  ARG   4          HH11      ARG   4  50.680  18.259 -13.612
   47   HH12  ARG   4          HH12      ARG   4  49.566  19.227 -12.706
   48   HH21  ARG   4          HH21      ARG   4  46.996  16.905 -12.883
   49   HH22  ARG   4          HH22      ARG   4  47.479  18.460 -12.293
   50    H    ILE   5           HN       ILE   5  50.157  12.519  -8.365
   51    HA   ILE   5           HA       ILE   5  49.943   9.545  -8.502
   52    HB   ILE   5           HB       ILE   5  52.675  10.886  -8.289
   53   HG12  ILE   5          HG12      ILE   5  51.263   9.730 -10.739
   54   HG13  ILE   5          HG11      ILE   5  51.802  11.410 -10.512
   55   HG21  ILE   5          HG21      ILE   5  52.201   8.525  -7.372
   56   HG22  ILE   5          HG22      ILE   5  53.525   8.660  -8.551
   57   HG23  ILE   5          HG23      ILE   5  51.938   8.033  -9.061
   58   HD11  ILE   5           HD1      ILE   5  53.510  10.431 -11.839
   59   HD12  ILE   5           HD2      ILE   5  53.494   8.919 -10.902
   60   HD13  ILE   5           HD3      ILE   5  54.180  10.400 -10.190
   61    H    GLY   6           HN       GLY   6  48.577  10.415  -6.634
   62    HA2  GLY   6           HA1      GLY   6  49.776   9.703  -4.200
   63    HA3  GLY   6           HA2      GLY   6  49.927  11.468  -4.314
   64    H    LYS   7           HN       LYS   7  47.615  12.235  -5.533
   65    HA   LYS   7           HA       LYS   7  45.435  12.790  -4.965
   66    HB2  LYS   7           HB2      LYS   7  45.213   9.865  -4.160
   67    HB3  LYS   7           HB1      LYS   7  43.893  10.950  -4.657
   68    HG2  LYS   7           HG2      LYS   7  44.976  11.206  -6.892
   69    HG3  LYS   7           HG1      LYS   7  46.237  10.052  -6.391
   70    HD2  LYS   7           HD2      LYS   7  44.595   8.279  -6.121
   71    HD3  LYS   7           HD1      LYS   7  43.255   9.419  -6.405
   72    HE2  LYS   7           HE2      LYS   7  44.081   9.833  -8.699
   73    HE3  LYS   7           HE1      LYS   7  45.431   8.706  -8.421
   74    HZ1  LYS   7           HZ1      LYS   7  43.906   7.334  -9.399
   75    HZ2  LYS   7           HZ2      LYS   7  42.562   8.144  -8.747
   76    HZ3  LYS   7           HZ3      LYS   7  43.488   7.106  -7.771
   77    H    GLY   8           HN       GLY   8  43.714  12.656  -3.157
   78    HA2  GLY   8           HA1      GLY   8  44.300  11.914  -0.523
   79    HA3  GLY   8           HA2      GLY   8  45.009  13.528  -0.727
   80    H    VAL   9           HN       VAL   9  42.846  12.747   1.040
   81    HA   VAL   9           HA       VAL   9  40.345  13.650  -0.149
   82    HB   VAL   9           HB       VAL   9  39.517  13.670   2.203
   83   HG11  VAL   9          HG11      VAL   9  39.489  11.569   0.934
   84   HG12  VAL   9          HG12      VAL   9  39.903  11.234   2.633
   85   HG13  VAL   9          HG13      VAL   9  41.178  11.244   1.390
   86   HG21  VAL   9          HG21      VAL   9  42.435  13.008   2.806
   87   HG22  VAL   9          HG22      VAL   9  41.104  12.838   3.976
   88   HG23  VAL   9          HG23      VAL   9  41.534  14.447   3.345
   89    H    LYS  10           HN       LYS  10  42.936  15.392  -0.032
   90    HA   LYS  10           HA       LYS  10  42.105  17.695   1.580
   91    HB2  LYS  10           HB2      LYS  10  44.209  17.456  -0.611
   92    HB3  LYS  10           HB1      LYS  10  44.038  18.805   0.537
   93    HG2  LYS  10           HG2      LYS  10  44.634  17.442   2.406
   94    HG3  LYS  10           HG1      LYS  10  44.410  15.936   1.485
   95    HD2  LYS  10           HD2      LYS  10  46.806  16.413   1.716
   96    HD3  LYS  10           HD1      LYS  10  46.321  16.578   0.012
   97    HE2  LYS  10           HE2      LYS  10  46.363  18.959   0.116
   98    HE3  LYS  10           HE1      LYS  10  46.383  18.967   1.896
   99    HZ1  LYS  10           HZ1      LYS  10  48.562  18.987   0.168
  100    HZ2  LYS  10           HZ2      LYS  10  48.564  17.461   0.915
  101    HZ3  LYS  10           HZ3      LYS  10  48.581  18.872   1.860
  102    H    ILE  11           HN       ILE  11  41.305  16.398  -1.465
  103    HA   ILE  11           HA       ILE  11  40.056  19.017  -2.306
  104    HB   ILE  11           HB       ILE  11  41.058  16.871  -4.224
  105   HG12  ILE  11          HG12      ILE  11  42.837  18.909  -4.632
  106   HG13  ILE  11          HG11      ILE  11  42.553  19.151  -2.895
  107   HG21  ILE  11          HG21      ILE  11  39.277  18.406  -5.014
  108   HG22  ILE  11          HG22      ILE  11  40.808  18.701  -5.873
  109   HG23  ILE  11          HG23      ILE  11  40.288  19.805  -4.577
  110   HD11  ILE  11           HD1      ILE  11  43.689  16.721  -4.320
  111   HD12  ILE  11           HD2      ILE  11  42.993  16.578  -2.691
  112   HD13  ILE  11           HD3      ILE  11  44.385  17.648  -2.971
  113    H    ILE  12           HN       ILE  12  40.014  15.462  -2.438
  114    HA   ILE  12           HA       ILE  12  37.325  15.328  -3.563
  115    HB   ILE  12           HB       ILE  12  39.045  13.306  -2.099
  116   HG12  ILE  12          HG12      ILE  12  38.573  13.328  -5.110
  117   HG13  ILE  12          HG11      ILE  12  39.799  14.406  -4.408
  118   HG21  ILE  12          HG21      ILE  12  37.479  11.689  -3.544
  119   HG22  ILE  12          HG22      ILE  12  36.374  13.080  -3.531
  120   HG23  ILE  12          HG23      ILE  12  36.896  12.340  -1.999
  121   HD11  ILE  12           HD1      ILE  12  40.879  12.331  -5.078
  122   HD12  ILE  12           HD2      ILE  12  39.701  11.364  -4.165
  123   HD13  ILE  12           HD3      ILE  12  40.857  12.405  -3.302
  124    H    GLY  13           HN       GLY  13  38.202  13.509  -0.652
  125    HA2  GLY  13           HA1      GLY  13  35.714  14.045   0.658
  126    HA3  GLY  13           HA2      GLY  13  37.192  13.426   1.431
  127    H    GLY  14           HN       GLY  14  38.244  15.897  -0.204
  128    HA2  GLY  14           HA1      GLY  14  38.319  17.722   2.129
  129    HA3  GLY  14           HA2      GLY  14  39.178  17.914   0.584
  130    H    ALA  15           HN       ALA  15  37.124  17.697  -1.267
  131    HA   ALA  15           HA       ALA  15  35.701  20.287  -0.747
  132    HB1  ALA  15           HB1      ALA  15  36.842  19.872  -2.945
  133    HB2  ALA  15           HB2      ALA  15  35.100  20.191  -3.099
  134    HB3  ALA  15           HB3      ALA  15  35.713  18.526  -3.232
  135    H    ALA  16           HN       ALA  16  35.200  17.797   0.709
  136    HA   ALA  16           HA       ALA  16  33.334  16.768   1.593
  137    HB1  ALA  16           HB1      ALA  16  31.186  17.648   1.266
  138    HB2  ALA  16           HB2      ALA  16  31.509  18.100  -0.424
  139    HB3  ALA  16           HB3      ALA  16  32.223  19.046   0.903
  140    H    LEU  17           HN       LEU  17  34.964  15.471  -0.211
  141    HA   LEU  17           HA       LEU  17  34.941  13.569  -1.546
  142    HB2  LEU  17           HB2      LEU  17  31.927  13.411  -1.161
  143    HB3  LEU  17           HB1      LEU  17  33.035  12.096  -1.587
  144    HG   LEU  17           HG       LEU  17  33.431  13.600   1.030
  145   HD11  LEU  17          HD11      LEU  17  31.076  12.968   1.088
  146   HD12  LEU  17          HD12      LEU  17  32.000  11.860   2.132
  147   HD13  LEU  17          HD13      LEU  17  31.467  11.327   0.519
  148   HD21  LEU  17          HD21      LEU  17  34.536  11.588   1.715
  149   HD22  LEU  17          HD22      LEU  17  35.081  11.862   0.045
  150   HD23  LEU  17          HD23      LEU  17  33.828  10.648   0.382
  151    H    ASP  18           HN       ASP  18  33.913  16.425  -2.415
  152    HA   ASP  18           HA       ASP  18  33.355  17.419  -4.428
  153    HB2  ASP  18           HB2      ASP  18  35.286  16.019  -5.209
  154    HB3  ASP  18           HB1      ASP  18  34.126  14.751  -5.674
  155    H    HIS  19           HN       HIS  19  32.469  14.073  -5.363
  156    HA   HIS  19           HA       HIS  19  29.607  14.612  -4.990
  157    HB2  HIS  19           HB2      HIS  19  30.182  15.826  -7.137
  158    HB3  HIS  19           HB1      HIS  19  30.640  14.252  -7.829
  159    HD1  HIS  19           HD1      HIS  19  28.804  13.004  -8.964
  160    HD2  HIS  19           HD2      HIS  19  27.335  15.638  -6.034
  161    HE1  HIS  19           HE1      HIS  19  26.252  12.916  -9.070
  162    H    LEU  20           HN       LEU  20  31.636  12.655  -4.151
  163    HA   LEU  20           HA       LEU  20  30.656  10.175  -5.556
  164    HB2  LEU  20           HB2      LEU  20  32.939  10.383  -3.561
  165    HB3  LEU  20           HB1      LEU  20  32.601   9.079  -4.724
  166    HG   LEU  20           HG       LEU  20  33.425  11.937  -5.404
  167   HD11  LEU  20          HD11      LEU  20  35.504  10.924  -6.166
  168   HD12  LEU  20          HD12      LEU  20  34.876   9.291  -5.838
  169   HD13  LEU  20          HD13      LEU  20  35.209  10.404  -4.489
  170   HD21  LEU  20          HD21      LEU  20  32.578   9.561  -7.112
  171   HD22  LEU  20          HD22      LEU  20  33.619  10.852  -7.761
  172   HD23  LEU  20          HD23      LEU  20  31.986  11.238  -7.175
  Start of MODEL   92
    1    H1   TRP   1           HT1      TRP   1  49.986  17.774  14.366
    2    H2   TRP   1           HT2      TRP   1  49.371  16.228  14.717
    3    H3   TRP   1           HT3      TRP   1  48.316  17.494  14.303
    4    HA   TRP   1           HA       TRP   1  49.695  17.583  12.154
    5    HB2  TRP   1           HB2      TRP   1  50.120  14.746  13.174
    6    HB3  TRP   1           HB1      TRP   1  50.437  15.289  11.508
    7    HD1  TRP   1           HD1      TRP   1  51.722  15.635  15.089
    8    HE1  TRP   1           HE1      TRP   1  54.099  16.687  15.070
    9    HE3  TRP   1           HE3      TRP   1  52.031  16.839  10.123
   10    HZ2  TRP   1           HZ2      TRP   1  55.870  17.882  13.138
   11    HZ3  TRP   1           HZ3      TRP   1  54.075  17.934   9.213
   12    HH2  TRP   1           HH2      TRP   1  55.992  18.456  10.716
   13    H    LEU   2           HN       LEU   2  47.479  18.184  11.869
   14    HA   LEU   2           HA       LEU   2  45.385  17.853  10.951
   15    HB2  LEU   2           HB2      LEU   2  46.227  15.010  10.300
   16    HB3  LEU   2           HB1      LEU   2  45.020  16.016   9.473
   17    HG   LEU   2           HG       LEU   2  48.023  16.558   9.572
   18   HD11  LEU   2          HD11      LEU   2  47.440  14.655   8.129
   19   HD12  LEU   2          HD12      LEU   2  47.894  16.056   7.132
   20   HD13  LEU   2          HD13      LEU   2  46.178  15.623   7.330
   21   HD21  LEU   2          HD21      LEU   2  45.658  18.071   8.391
   22   HD22  LEU   2          HD22      LEU   2  47.304  18.267   7.741
   23   HD23  LEU   2          HD23      LEU   2  46.962  18.689   9.433
   24    H    ARG   3           HN       ARG   3  46.538  16.022  13.550
   25    HA   ARG   3           HA       ARG   3  45.462  15.019  15.326
   26    HB2  ARG   3           HB2      ARG   3  42.852  16.097  14.223
   27    HB3  ARG   3           HB1      ARG   3  43.270  15.730  15.913
   28    HG2  ARG   3           HG2      ARG   3  45.101  17.505  15.723
   29    HG3  ARG   3           HG1      ARG   3  44.365  17.975  14.172
   30    HD2  ARG   3           HD2      ARG   3  42.164  18.259  15.401
   31    HD3  ARG   3           HD1      ARG   3  43.054  18.012  16.921
   32    HE   ARG   3           HE       ARG   3  44.230  20.104  15.255
   33   HH11  ARG   3          HH11      ARG   3  44.013  19.992  18.300
   34   HH12  ARG   3          HH12      ARG   3  42.902  21.286  18.602
   35   HH21  ARG   3          HH21      ARG   3  41.832  21.486  15.309
   36   HH22  ARG   3          HH22      ARG   3  41.668  22.134  16.907
   37    H    ARG   4           HN       ARG   4  44.589  14.273  12.089
   38    HA   ARG   4           HA       ARG   4  43.566  11.597  13.001
   39    HB2  ARG   4           HB2      ARG   4  42.393  13.351  10.804
   40    HB3  ARG   4           HB1      ARG   4  41.946  11.654  11.106
   41    HG2  ARG   4           HG2      ARG   4  41.188  12.223  13.372
   42    HG3  ARG   4           HG1      ARG   4  41.704  13.911  13.143
   43    HD2  ARG   4           HD2      ARG   4  39.228  13.532  12.773
   44    HD3  ARG   4           HD1      ARG   4  40.072  14.242  11.376
   45    HE   ARG   4           HE       ARG   4  40.062  11.379  11.133
   46   HH11  ARG   4          HH11      ARG   4  37.629  10.631  11.175
   47   HH12  ARG   4          HH12      ARG   4  36.682  11.469   9.990
   48   HH21  ARG   4          HH21      ARG   4  39.017  13.986   9.517
   49   HH22  ARG   4          HH22      ARG   4  37.468  13.368   9.051
   50    H    ILE   5           HN       ILE   5  45.879  13.333  11.384
   51    HA   ILE   5           HA       ILE   5  47.412  12.800   9.722
   52    HB   ILE   5           HB       ILE   5  46.757   9.886  10.337
   53   HG12  ILE   5          HG12      ILE   5  48.477  11.866  11.903
   54   HG13  ILE   5          HG11      ILE   5  46.990  11.073  12.473
   55   HG21  ILE   5          HG21      ILE   5  48.377  10.580   8.456
   56   HG22  ILE   5          HG22      ILE   5  49.027   9.478   9.690
   57   HG23  ILE   5          HG23      ILE   5  49.435  11.210   9.739
   58   HD11  ILE   5           HD1      ILE   5  49.705   9.829  11.926
   59   HD12  ILE   5           HD2      ILE   5  48.229   8.834  11.987
   60   HD13  ILE   5           HD3      ILE   5  48.736   9.768  13.415
   61    H    GLY   6           HN       GLY   6  45.904  13.667   8.124
   62    HA2  GLY   6           HA1      GLY   6  45.276  13.376   5.868
   63    HA3  GLY   6           HA2      GLY   6  45.293  11.613   6.075
   64    H    LYS   7           HN       LYS   7  43.545  14.533   7.206
   65    HA   LYS   7           HA       LYS   7  41.217  13.302   8.146
   66    HB2  LYS   7           HB2      LYS   7  40.055  15.428   7.549
   67    HB3  LYS   7           HB1      LYS   7  41.608  15.698   8.375
   68    HG2  LYS   7           HG2      LYS   7  42.680  15.940   6.085
   69    HG3  LYS   7           HG1      LYS   7  41.041  15.911   5.389
   70    HD2  LYS   7           HD2      LYS   7  40.444  17.840   6.916
   71    HD3  LYS   7           HD1      LYS   7  42.160  17.931   7.377
   72    HE2  LYS   7           HE2      LYS   7  42.747  18.211   4.949
   73    HE3  LYS   7           HE1      LYS   7  41.009  18.261   4.573
   74    HZ1  LYS   7           HZ1      LYS   7  40.749  20.268   5.634
   75    HZ2  LYS   7           HZ2      LYS   7  42.311  20.451   4.990
   76    HZ3  LYS   7           HZ3      LYS   7  42.106  20.063   6.632
   77    H    GLY   8           HN       GLY   8  42.387  13.463   4.885
   78    HA2  GLY   8           HA1      GLY   8  40.495  11.622   3.898
   79    HA3  GLY   8           HA2      GLY   8  39.855  13.236   3.539
   80    H    VAL   9           HN       VAL   9  40.507  14.252   1.759
   81    HA   VAL   9           HA       VAL   9  43.103  13.437   0.494
   82    HB   VAL   9           HB       VAL   9  40.465  13.627  -1.033
   83   HG11  VAL   9          HG11      VAL   9  41.936  12.521  -2.822
   84   HG12  VAL   9          HG12      VAL   9  43.331  12.934  -1.798
   85   HG13  VAL   9          HG13      VAL   9  42.300  14.224  -2.463
   86   HG21  VAL   9          HG21      VAL   9  42.113  11.199  -0.192
   87   HG22  VAL   9          HG22      VAL   9  40.721  11.157  -1.301
   88   HG23  VAL   9          HG23      VAL   9  40.490  11.625   0.400
   89    H    LYS  10           HN       LYS  10  40.752  15.748   1.378
   90    HA   LYS  10           HA       LYS  10  40.824  18.058   1.298
   91    HB2  LYS  10           HB2      LYS  10  43.402  17.605   1.329
   92    HB3  LYS  10           HB1      LYS  10  43.336  18.001  -0.404
   93    HG2  LYS  10           HG2      LYS  10  42.050  20.143   0.334
   94    HG3  LYS  10           HG1      LYS  10  42.645  19.771   1.970
   95    HD2  LYS  10           HD2      LYS  10  44.977  19.733   1.086
   96    HD3  LYS  10           HD1      LYS  10  44.356  20.176  -0.521
   97    HE2  LYS  10           HE2      LYS  10  43.344  22.243   0.504
   98    HE3  LYS  10           HE1      LYS  10  44.140  21.821   2.038
   99    HZ1  LYS  10           HZ1      LYS  10  46.038  22.656   1.290
  100    HZ2  LYS  10           HZ2      LYS  10  45.228  23.215  -0.095
  101    HZ3  LYS  10           HZ3      LYS  10  45.990  21.696  -0.107
  102    H    ILE  11           HN       ILE  11  41.042  16.073  -1.516
  103    HA   ILE  11           HA       ILE  11  39.862  18.277  -3.213
  104    HB   ILE  11           HB       ILE  11  41.199  15.739  -4.218
  105   HG12  ILE  11          HG12      ILE  11  42.422  18.483  -3.671
  106   HG13  ILE  11          HG11      ILE  11  42.853  16.952  -2.874
  107   HG21  ILE  11          HG21      ILE  11  40.861  18.448  -5.575
  108   HG22  ILE  11          HG22      ILE  11  39.630  17.168  -5.686
  109   HG23  ILE  11          HG23      ILE  11  41.265  16.886  -6.326
  110   HD11  ILE  11           HD1      ILE  11  43.391  16.085  -5.272
  111   HD12  ILE  11           HD2      ILE  11  44.532  17.231  -4.530
  112   HD13  ILE  11           HD3      ILE  11  43.365  17.801  -5.744
  113    H    ILE  12           HN       ILE  12  39.797  14.735  -2.592
  114    HA   ILE  12           HA       ILE  12  37.143  14.570  -3.944
  115    HB   ILE  12           HB       ILE  12  38.902  12.414  -2.717
  116   HG12  ILE  12          HG12      ILE  12  38.540  13.157  -5.663
  117   HG13  ILE  12          HG11      ILE  12  39.910  13.697  -4.669
  118   HG21  ILE  12          HG21      ILE  12  36.342  12.367  -4.371
  119   HG22  ILE  12          HG22      ILE  12  36.701  11.507  -2.855
  120   HG23  ILE  12          HG23      ILE  12  37.449  10.977  -4.369
  121   HD11  ILE  12           HD1      ILE  12  39.311  10.952  -5.768
  122   HD12  ILE  12           HD2      ILE  12  40.098  11.033  -4.174
  123   HD13  ILE  12           HD3      ILE  12  40.870  11.786  -5.586
  124    H    GLY  13           HN       GLY  13  37.910  12.342  -1.343
  125    HA2  GLY  13           HA1      GLY  13  35.466  12.768   0.037
  126    HA3  GLY  13           HA2      GLY  13  36.934  12.052   0.742
  127    H    GLY  14           HN       GLY  14  38.104  14.672  -0.438
  128    HA2  GLY  14           HA1      GLY  14  38.037  16.184   2.095
  129    HA3  GLY  14           HA2      GLY  14  39.011  16.535   0.652
  130    H    ALA  15           HN       ALA  15  37.178  16.673  -1.393
  131    HA   ALA  15           HA       ALA  15  35.766  19.199  -0.635
  132    HB1  ALA  15           HB1      ALA  15  37.033  18.875  -2.825
  133    HB2  ALA  15           HB2      ALA  15  35.368  19.482  -2.969
  134    HB3  ALA  15           HB3      ALA  15  35.723  17.774  -3.315
  135    H    ALA  16           HN       ALA  16  35.064  16.624   0.539
  136    HA   ALA  16           HA       ALA  16  33.102  15.626   1.224
  137    HB1  ALA  16           HB1      ALA  16  31.021  16.626   0.835
  138    HB2  ALA  16           HB2      ALA  16  31.467  17.180  -0.795
  139    HB3  ALA  16           HB3      ALA  16  32.135  17.998   0.636
  140    H    LEU  17           HN       LEU  17  34.812  14.445  -0.661
  141    HA   LEU  17           HA       LEU  17  34.780  12.706  -2.212
  142    HB2  LEU  17           HB2      LEU  17  32.994  11.917  -0.501
  143    HB3  LEU  17           HB1      LEU  17  31.800  12.430  -1.714
  144    HG   LEU  17           HG       LEU  17  33.326  10.955  -3.367
  145   HD11  LEU  17          HD11      LEU  17  35.018  10.485  -1.533
  146   HD12  LEU  17          HD12      LEU  17  34.333   9.026  -2.282
  147   HD13  LEU  17          HD13      LEU  17  33.757   9.562  -0.687
  148   HD21  LEU  17          HD21      LEU  17  31.900   8.957  -2.782
  149   HD22  LEU  17          HD22      LEU  17  30.974  10.469  -2.945
  150   HD23  LEU  17          HD23      LEU  17  31.354   9.827  -1.329
  151    H    ASP  18           HN       ASP  18  34.758  15.136  -3.368
  152    HA   ASP  18           HA       ASP  18  34.238  16.225  -5.347
  153    HB2  ASP  18           HB2      ASP  18  34.863  13.951  -6.247
  154    HB3  ASP  18           HB1      ASP  18  33.133  13.537  -6.246
  155    H    HIS  19           HN       HIS  19  32.309  16.281  -3.204
  156    HA   HIS  19           HA       HIS  19  30.116  16.930  -2.831
  157    HB2  HIS  19           HB2      HIS  19  30.139  17.635  -5.793
  158    HB3  HIS  19           HB1      HIS  19  29.055  18.294  -4.544
  159    HD1  HIS  19           HD1      HIS  19  31.861  19.336  -6.377
  160    HD2  HIS  19           HD2      HIS  19  30.997  19.327  -2.261
  161    HE1  HIS  19           HE1      HIS  19  33.403  21.048  -5.272
  162    H    LEU  20           HN       LEU  20  30.539  14.178  -3.380
  163    HA   LEU  20           HA       LEU  20  29.368  12.270  -3.965
  164    HB2  LEU  20           HB2      LEU  20  27.737  13.096  -2.393
  165    HB3  LEU  20           HB1      LEU  20  27.090  14.251  -3.578
  166    HG   LEU  20           HG       LEU  20  26.161  12.464  -4.928
  167   HD11  LEU  20          HD11      LEU  20  26.412  10.040  -4.034
  168   HD12  LEU  20          HD12      LEU  20  27.784  10.665  -3.088
  169   HD13  LEU  20          HD13      LEU  20  27.816  10.748  -4.866
  170   HD21  LEU  20          HD21      LEU  20  25.652  11.748  -2.010
  171   HD22  LEU  20          HD22      LEU  20  24.538  11.543  -3.382
  172   HD23  LEU  20          HD23      LEU  20  24.956  13.177  -2.812
  Start of MODEL   93
    1    H1   TRP   1           HT1      TRP   1  38.181   2.799   5.955
    2    H2   TRP   1           HT2      TRP   1  37.882   3.420   4.401
    3    H3   TRP   1           HT3      TRP   1  37.877   4.454   5.749
    4    HA   TRP   1           HA       TRP   1  40.143   3.127   4.439
    5    HB2  TRP   1           HB2      TRP   1  39.460   5.990   5.213
    6    HB3  TRP   1           HB1      TRP   1  41.042   5.481   4.577
    7    HD1  TRP   1           HD1      TRP   1  40.897   4.143   2.120
    8    HE1  TRP   1           HE1      TRP   1  39.432   4.704   0.046
    9    HE3  TRP   1           HE3      TRP   1  37.321   7.005   4.408
   10    HZ2  TRP   1           HZ2      TRP   1  37.034   6.198  -0.510
   11    HZ3  TRP   1           HZ3      TRP   1  35.454   7.988   3.086
   12    HH2  TRP   1           HH2      TRP   1  35.307   7.588   0.632
   13    H    LEU   2           HN       LEU   2  42.176   3.157   5.481
   14    HA   LEU   2           HA       LEU   2  42.024   2.523   8.300
   15    HB2  LEU   2           HB2      LEU   2  44.568   3.198   6.786
   16    HB3  LEU   2           HB1      LEU   2  44.350   2.071   8.147
   17    HG   LEU   2           HG       LEU   2  43.300   1.733   5.304
   18   HD11  LEU   2          HD11      LEU   2  45.264   0.082   6.953
   19   HD12  LEU   2          HD12      LEU   2  45.733   1.264   5.708
   20   HD13  LEU   2          HD13      LEU   2  44.813  -0.190   5.254
   21   HD21  LEU   2          HD21      LEU   2  41.604   0.816   6.730
   22   HD22  LEU   2          HD22      LEU   2  42.807   0.152   7.863
   23   HD23  LEU   2          HD23      LEU   2  42.606  -0.572   6.248
   24    H    ARG   3           HN       ARG   3  41.999   5.446   6.668
   25    HA   ARG   3           HA       ARG   3  42.064   7.616   7.459
   26    HB2  ARG   3           HB2      ARG   3  41.246   6.458   9.659
   27    HB3  ARG   3           HB1      ARG   3  42.921   6.672  10.218
   28    HG2  ARG   3           HG2      ARG   3  42.726   9.126   9.628
   29    HG3  ARG   3           HG1      ARG   3  40.997   8.853   9.307
   30    HD2  ARG   3           HD2      ARG   3  42.375   8.203  11.948
   31    HD3  ARG   3           HD1      ARG   3  41.456   9.694  11.636
   32    HE   ARG   3           HE       ARG   3  39.692   7.646  10.966
   33   HH11  ARG   3          HH11      ARG   3  38.064   8.217  12.719
   34   HH12  ARG   3          HH12      ARG   3  38.516   7.670  14.299
   35   HH21  ARG   3          HH21      ARG   3  41.818   7.060  13.431
   36   HH22  ARG   3          HH22      ARG   3  40.642   7.015  14.702
   37    H    ARG   4           HN       ARG   4  44.613   5.937   9.383
   38    HA   ARG   4           HA       ARG   4  46.530   8.011   9.085
   39    HB2  ARG   4           HB2      ARG   4  48.211   6.190   9.605
   40    HB3  ARG   4           HB1      ARG   4  46.859   6.314  10.757
   41    HG2  ARG   4           HG2      ARG   4  45.732   4.427   9.766
   42    HG3  ARG   4           HG1      ARG   4  46.861   4.396   8.391
   43    HD2  ARG   4           HD2      ARG   4  47.342   2.649  10.155
   44    HD3  ARG   4           HD1      ARG   4  48.704   3.749   9.834
   45    HE   ARG   4           HE       ARG   4  47.290   4.926  11.948
   46   HH11  ARG   4          HH11      ARG   4  50.058   4.193  12.421
   47   HH12  ARG   4          HH12      ARG   4  49.956   2.887  13.554
   48   HH21  ARG   4          HH21      ARG   4  46.606   2.248  12.916
   49   HH22  ARG   4          HH22      ARG   4  48.000   1.785  13.833
   50    H    ILE   5           HN       ILE   5  45.324   5.774   6.782
   51    HA   ILE   5           HA       ILE   5  47.634   5.413   5.145
   52    HB   ILE   5           HB       ILE   5  45.582   4.095   4.801
   53   HG12  ILE   5          HG12      ILE   5  45.391   4.235   2.364
   54   HG13  ILE   5          HG11      ILE   5  46.064   5.878   2.360
   55   HG21  ILE   5          HG21      ILE   5  44.318   6.668   3.773
   56   HG22  ILE   5          HG22      ILE   5  44.041   6.013   5.405
   57   HG23  ILE   5          HG23      ILE   5  43.534   5.083   3.975
   58   HD11  ILE   5           HD1      ILE   5  47.647   3.851   1.799
   59   HD12  ILE   5           HD2      ILE   5  47.651   3.580   3.558
   60   HD13  ILE   5           HD3      ILE   5  48.242   5.123   2.891
   61    H    GLY   6           HN       GLY   6  45.364   8.074   5.535
   62    HA2  GLY   6           HA1      GLY   6  47.108   9.999   4.402
   63    HA3  GLY   6           HA2      GLY   6  45.985   9.486   3.127
   64    H    LYS   7           HN       LYS   7  44.081   8.909   5.557
   65    HA   LYS   7           HA       LYS   7  42.338  10.028   6.573
   66    HB2  LYS   7           HB2      LYS   7  44.422  11.269   7.560
   67    HB3  LYS   7           HB1      LYS   7  43.947  12.603   6.488
   68    HG2  LYS   7           HG2      LYS   7  41.633  12.508   7.517
   69    HG3  LYS   7           HG1      LYS   7  42.255  11.307   8.672
   70    HD2  LYS   7           HD2      LYS   7  44.039  12.985   9.326
   71    HD3  LYS   7           HD1      LYS   7  43.191  14.185   8.322
   72    HE2  LYS   7           HE2      LYS   7  41.168  13.957   9.669
   73    HE3  LYS   7           HE1      LYS   7  41.898  12.634  10.609
   74    HZ1  LYS   7           HZ1      LYS   7  43.717  14.356  11.112
   75    HZ2  LYS   7           HZ2      LYS   7  42.233  14.491  11.928
   76    HZ3  LYS   7           HZ3      LYS   7  42.581  15.512  10.615
   77    H    GLY   8           HN       GLY   8  42.295  13.174   5.957
   78    HA2  GLY   8           HA1      GLY   8  40.351  12.879   3.788
   79    HA3  GLY   8           HA2      GLY   8  40.807  14.376   4.624
   80    H    VAL   9           HN       VAL   9  40.696  13.032   1.687
   81    HA   VAL   9           HA       VAL   9  43.296  13.429   0.580
   82    HB   VAL   9           HB       VAL   9  40.626  13.893  -0.822
   83   HG11  VAL   9          HG11      VAL   9  42.488  14.652  -2.168
   84   HG12  VAL   9          HG12      VAL   9  41.993  13.065  -2.800
   85   HG13  VAL   9          HG13      VAL   9  43.439  13.201  -1.773
   86   HG21  VAL   9          HG21      VAL   9  40.637  11.704   0.307
   87   HG22  VAL   9          HG22      VAL   9  42.235  11.335  -0.385
   88   HG23  VAL   9          HG23      VAL   9  40.816  11.482  -1.450
   89    H    LYS  10           HN       LYS  10  40.914  15.639   1.722
   90    HA   LYS  10           HA       LYS  10  40.964  17.938   1.931
   91    HB2  LYS  10           HB2      LYS  10  43.506  17.488   2.187
   92    HB3  LYS  10           HB1      LYS  10  43.642  18.041   0.501
   93    HG2  LYS  10           HG2      LYS  10  42.286  20.122   1.272
   94    HG3  LYS  10           HG1      LYS  10  42.672  19.598   2.927
   95    HD2  LYS  10           HD2      LYS  10  44.687  20.188   0.714
   96    HD3  LYS  10           HD1      LYS  10  44.343  21.230   2.115
   97    HE2  LYS  10           HE2      LYS  10  45.649  18.486   2.081
   98    HE3  LYS  10           HE1      LYS  10  46.301  20.012   2.722
   99    HZ1  LYS  10           HZ1      LYS  10  44.117  18.340   3.837
  100    HZ2  LYS  10           HZ2      LYS  10  44.356  19.953   4.316
  101    HZ3  LYS  10           HZ3      LYS  10  45.574  18.796   4.576
  102    H    ILE  11           HN       ILE  11  41.603  16.416  -1.146
  103    HA   ILE  11           HA       ILE  11  40.523  18.838  -2.588
  104    HB   ILE  11           HB       ILE  11  41.991  16.487  -3.831
  105   HG12  ILE  11          HG12      ILE  11  43.125  19.098  -2.727
  106   HG13  ILE  11          HG11      ILE  11  43.480  17.456  -2.139
  107   HG21  ILE  11          HG21      ILE  11  40.574  18.146  -5.208
  108   HG22  ILE  11          HG22      ILE  11  42.269  17.951  -5.709
  109   HG23  ILE  11          HG23      ILE  11  41.779  19.379  -4.766
  110   HD11  ILE  11           HD1      ILE  11  45.325  17.978  -3.540
  111   HD12  ILE  11           HD2      ILE  11  44.290  18.738  -4.770
  112   HD13  ILE  11           HD3      ILE  11  44.281  16.968  -4.568
  113    H    ILE  12           HN       ILE  12  40.467  15.237  -2.584
  114    HA   ILE  12           HA       ILE  12  37.991  15.288  -4.230
  115    HB   ILE  12           HB       ILE  12  39.573  12.943  -3.107
  116   HG12  ILE  12          HG12      ILE  12  39.700  14.225  -5.880
  117   HG13  ILE  12          HG11      ILE  12  40.920  14.438  -4.606
  118   HG21  ILE  12          HG21      ILE  12  37.251  12.374  -3.792
  119   HG22  ILE  12          HG22      ILE  12  38.419  11.660  -4.915
  120   HG23  ILE  12          HG23      ILE  12  37.527  13.128  -5.375
  121   HD11  ILE  12           HD1      ILE  12  40.300  11.983  -6.263
  122   HD12  ILE  12           HD2      ILE  12  40.958  11.766  -4.622
  123   HD13  ILE  12           HD3      ILE  12  41.874  12.687  -5.836
  124    H    GLY  13           HN       GLY  13  38.414  12.695  -1.905
  125    HA2  GLY  13           HA1      GLY  13  35.807  12.980  -0.813
  126    HA3  GLY  13           HA2      GLY  13  37.160  12.123  -0.037
  127    H    GLY  14           HN       GLY  14  38.472  14.878  -0.663
  128    HA2  GLY  14           HA1      GLY  14  38.117  15.991   2.038
  129    HA3  GLY  14           HA2      GLY  14  39.247  16.540   0.783
  130    H    ALA  15           HN       ALA  15  37.637  16.992  -1.419
  131    HA   ALA  15           HA       ALA  15  36.183  19.422  -0.460
  132    HB1  ALA  15           HB1      ALA  15  36.381  18.294  -3.276
  133    HB2  ALA  15           HB2      ALA  15  37.569  19.417  -2.562
  134    HB3  ALA  15           HB3      ALA  15  35.885  19.933  -2.800
  135    H    ALA  16           HN       ALA  16  35.350  16.742   0.349
  136    HA   ALA  16           HA       ALA  16  33.331  15.719   0.768
  137    HB1  ALA  16           HB1      ALA  16  31.876  17.529  -1.172
  138    HB2  ALA  16           HB2      ALA  16  32.443  18.163   0.390
  139    HB3  ALA  16           HB3      ALA  16  31.298  16.802   0.345
  140    H    LEU  17           HN       LEU  17  35.218  14.888  -1.251
  141    HA   LEU  17           HA       LEU  17  35.299  13.448  -3.074
  142    HB2  LEU  17           HB2      LEU  17  33.506  12.397  -1.314
  143    HB3  LEU  17           HB1      LEU  17  32.440  12.569  -2.721
  144    HG   LEU  17           HG       LEU  17  35.133  11.118  -2.714
  145   HD11  LEU  17          HD11      LEU  17  33.526   9.846  -1.427
  146   HD12  LEU  17          HD12      LEU  17  33.637   9.092  -3.036
  147   HD13  LEU  17          HD13      LEU  17  32.250  10.134  -2.634
  148   HD21  LEU  17          HD21      LEU  17  32.941  11.383  -4.825
  149   HD22  LEU  17          HD22      LEU  17  34.354  10.310  -4.951
  150   HD23  LEU  17          HD23      LEU  17  34.580  12.074  -4.915
  151    H    ASP  18           HN       ASP  18  34.593  16.134  -3.625
  152    HA   ASP  18           HA       ASP  18  33.804  17.427  -5.374
  153    HB2  ASP  18           HB2      ASP  18  34.973  15.586  -6.676
  154    HB3  ASP  18           HB1      ASP  18  33.381  14.816  -6.872
  155    H    HIS  19           HN       HIS  19  31.891  15.391  -3.641
  156    HA   HIS  19           HA       HIS  19  29.481  16.827  -4.292
  157    HB2  HIS  19           HB2      HIS  19  29.577  15.339  -6.299
  158    HB3  HIS  19           HB1      HIS  19  29.557  13.927  -5.216
  159    HD1  HIS  19           HD1      HIS  19  27.310  13.067  -4.527
  160    HD2  HIS  19           HD2      HIS  19  27.148  17.069  -5.808
  161    HE1  HIS  19           HE1      HIS  19  24.848  13.751  -4.583
  162    H    LEU  20           HN       LEU  20  30.015  13.375  -3.488
  163    HA   LEU  20           HA       LEU  20  28.210  13.312  -1.326
  164    HB2  LEU  20           HB2      LEU  20  29.588  11.422  -2.580
  165    HB3  LEU  20           HB1      LEU  20  30.747  11.652  -1.253
  166    HG   LEU  20           HG       LEU  20  27.786  10.952  -0.980
  167   HD11  LEU  20          HD11      LEU  20  28.583   8.804  -0.189
  168   HD12  LEU  20          HD12      LEU  20  30.272   9.363  -0.215
  169   HD13  LEU  20          HD13      LEU  20  29.385   9.137  -1.742
  170   HD21  LEU  20          HD21      LEU  20  28.303  12.311   0.914
  171   HD22  LEU  20          HD22      LEU  20  29.942  11.632   1.061
  172   HD23  LEU  20          HD23      LEU  20  28.525  10.644   1.492
  Start of MODEL   94
    1    H1   TRP   1           HT1      TRP   1  41.599   2.127  -4.542
    2    H2   TRP   1           HT2      TRP   1  42.088   3.697  -4.970
    3    H3   TRP   1           HT3      TRP   1  40.494   3.408  -4.457
    4    HA   TRP   1           HA       TRP   1  41.037   3.217  -2.294
    5    HB2  TRP   1           HB2      TRP   1  43.847   2.543  -3.250
    6    HB3  TRP   1           HB1      TRP   1  43.362   2.685  -1.543
    7    HD1  TRP   1           HD1      TRP   1  41.093   1.064  -0.940
    8    HE1  TRP   1           HE1      TRP   1  40.725  -1.433  -1.568
    9    HE3  TRP   1           HE3      TRP   1  44.397   0.717  -4.836
   10    HZ2  TRP   1           HZ2      TRP   1  41.746  -3.300  -3.508
   11    HZ3  TRP   1           HZ3      TRP   1  44.683  -1.432  -6.061
   12    HH2  TRP   1           HH2      TRP   1  43.362  -3.438  -5.401
   13    H    LEU   2           HN       LEU   2  42.445   4.582  -0.766
   14    HA   LEU   2           HA       LEU   2  42.406   7.297  -1.784
   15    HB2  LEU   2           HB2      LEU   2  43.772   6.373   0.765
   16    HB3  LEU   2           HB1      LEU   2  43.005   7.943   0.423
   17    HG   LEU   2           HG       LEU   2  41.600   5.250   0.715
   18   HD11  LEU   2          HD11      LEU   2  41.392   7.813   2.355
   19   HD12  LEU   2          HD12      LEU   2  42.377   6.405   2.817
   20   HD13  LEU   2          HD13      LEU   2  40.608   6.254   2.703
   21   HD21  LEU   2          HD21      LEU   2  39.515   6.780   0.555
   22   HD22  LEU   2          HD22      LEU   2  40.375   6.439  -0.963
   23   HD23  LEU   2          HD23      LEU   2  40.606   8.001  -0.140
   24    H    ARG   3           HN       ARG   3  44.585   4.791  -2.152
   25    HA   ARG   3           HA       ARG   3  46.719   4.699  -3.028
   26    HB2  ARG   3           HB2      ARG   3  46.627   7.715  -3.356
   27    HB3  ARG   3           HB1      ARG   3  47.612   6.542  -4.257
   28    HG2  ARG   3           HG2      ARG   3  45.468   5.492  -5.096
   29    HG3  ARG   3           HG1      ARG   3  44.580   6.839  -4.348
   30    HD2  ARG   3           HD2      ARG   3  46.681   7.016  -6.546
   31    HD3  ARG   3           HD1      ARG   3  44.949   7.408  -6.674
   32    HE   ARG   3           HE       ARG   3  46.109   9.021  -4.613
   33   HH11  ARG   3          HH11      ARG   3  44.400   9.963  -6.942
   34   HH12  ARG   3          HH12      ARG   3  45.514  10.983  -7.789
   35   HH21  ARG   3          HH21      ARG   3  48.310   9.727  -6.169
   36   HH22  ARG   3          HH22      ARG   3  47.727  10.851  -7.351
   37    H    ARG   4           HN       ARG   4  45.935   6.628  -0.317
   38    HA   ARG   4           HA       ARG   4  48.776   6.414   0.650
   39    HB2  ARG   4           HB2      ARG   4  46.892   8.794   0.883
   40    HB3  ARG   4           HB1      ARG   4  48.375   8.602   1.847
   41    HG2  ARG   4           HG2      ARG   4  49.737   8.519  -0.186
   42    HG3  ARG   4           HG1      ARG   4  48.276   8.583  -1.200
   43    HD2  ARG   4           HD2      ARG   4  47.726  10.812  -0.313
   44    HD3  ARG   4           HD1      ARG   4  49.141  10.748   0.765
   45    HE   ARG   4           HE       ARG   4  49.217  11.553  -1.972
   46   HH11  ARG   4          HH11      ARG   4  51.001  10.214   0.602
   47   HH12  ARG   4          HH12      ARG   4  52.452   9.993  -0.317
   48   HH21  ARG   4          HH21      ARG   4  51.012  10.953  -3.322
   49   HH22  ARG   4          HH22      ARG   4  52.458  10.411  -2.538
   50    H    ILE   5           HN       ILE   5  45.663   5.425   0.958
   51    HA   ILE   5           HA       ILE   5  44.397   4.574   2.703
   52    HB   ILE   5           HB       ILE   5  47.028   4.126   4.171
   53   HG12  ILE   5          HG12      ILE   5  45.878   2.592   1.793
   54   HG13  ILE   5          HG11      ILE   5  47.397   3.516   1.818
   55   HG21  ILE   5          HG21      ILE   5  44.713   3.513   5.151
   56   HG22  ILE   5          HG22      ILE   5  45.923   2.212   5.081
   57   HG23  ILE   5          HG23      ILE   5  44.621   2.283   3.868
   58   HD11  ILE   5           HD1      ILE   5  48.092   1.962   3.782
   59   HD12  ILE   5           HD2      ILE   5  48.076   1.262   2.146
   60   HD13  ILE   5           HD3      ILE   5  46.735   0.931   3.268
   61    H    GLY   6           HN       GLY   6  44.249   7.228   2.836
   62    HA2  GLY   6           HA1      GLY   6  43.360   7.919   5.303
   63    HA3  GLY   6           HA2      GLY   6  45.106   8.175   5.503
   64    H    LYS   7           HN       LYS   7  46.165   9.518   3.756
   65    HA   LYS   7           HA       LYS   7  44.761  12.053   3.645
   66    HB2  LYS   7           HB2      LYS   7  47.286  11.166   2.187
   67    HB3  LYS   7           HB1      LYS   7  46.742  12.842   2.438
   68    HG2  LYS   7           HG2      LYS   7  47.060  12.703   4.809
   69    HG3  LYS   7           HG1      LYS   7  47.248  10.934   4.756
   70    HD2  LYS   7           HD2      LYS   7  49.443  12.056   5.008
   71    HD3  LYS   7           HD1      LYS   7  49.342  11.183   3.463
   72    HE2  LYS   7           HE2      LYS   7  49.067  13.184   2.215
   73    HE3  LYS   7           HE1      LYS   7  48.623  14.130   3.657
   74    HZ1  LYS   7           HZ1      LYS   7  50.758  14.462   4.173
   75    HZ2  LYS   7           HZ2      LYS   7  51.094  14.007   2.571
   76    HZ3  LYS   7           HZ3      LYS   7  51.214  12.866   3.824
   77    H    GLY   8           HN       GLY   8  45.616  12.952   1.051
   78    HA2  GLY   8           HA1      GLY   8  45.039  12.823  -1.213
   79    HA3  GLY   8           HA2      GLY   8  44.264  11.252  -0.933
   80    H    VAL   9           HN       VAL   9  42.731  12.426   1.386
   81    HA   VAL   9           HA       VAL   9  40.435  13.298  -0.212
   82    HB   VAL   9           HB       VAL   9  39.327  13.525   2.057
   83   HG11  VAL   9          HG11      VAL   9  39.300  11.092   2.474
   84   HG12  VAL   9          HG12      VAL   9  40.775  10.898   1.498
   85   HG13  VAL   9          HG13      VAL   9  39.259  11.426   0.727
   86   HG21  VAL   9          HG21      VAL   9  41.962  12.342   3.046
   87   HG22  VAL   9          HG22      VAL   9  40.530  12.736   4.026
   88   HG23  VAL   9          HG23      VAL   9  41.483  14.040   3.278
   89    H    LYS  10           HN       LYS  10  42.875  15.005  -0.184
   90    HA   LYS  10           HA       LYS  10  42.136  17.381   1.381
   91    HB2  LYS  10           HB2      LYS  10  44.492  16.881   0.994
   92    HB3  LYS  10           HB1      LYS  10  44.241  16.869  -0.763
   93    HG2  LYS  10           HG2      LYS  10  45.280  18.990   0.053
   94    HG3  LYS  10           HG1      LYS  10  43.722  19.269  -0.749
   95    HD2  LYS  10           HD2      LYS  10  42.597  19.671   1.311
   96    HD3  LYS  10           HD1      LYS  10  43.888  18.906   2.269
   97    HE2  LYS  10           HE2      LYS  10  44.294  21.443   0.631
   98    HE3  LYS  10           HE1      LYS  10  43.840  21.452   2.351
   99    HZ1  LYS  10           HZ1      LYS  10  46.386  20.950   1.142
  100    HZ2  LYS  10           HZ2      LYS  10  45.935  19.697   2.198
  101    HZ3  LYS  10           HZ3      LYS  10  46.008  21.300   2.758
  102    H    ILE  11           HN       ILE  11  41.313  15.986  -1.638
  103    HA   ILE  11           HA       ILE  11  39.979  18.553  -2.491
  104    HB   ILE  11           HB       ILE  11  41.196  16.531  -4.410
  105   HG12  ILE  11          HG12      ILE  11  42.387  19.123  -3.320
  106   HG13  ILE  11          HG11      ILE  11  43.022  17.481  -3.072
  107   HG21  ILE  11          HG21      ILE  11  39.317  18.156  -5.107
  108   HG22  ILE  11          HG22      ILE  11  40.808  18.219  -6.074
  109   HG23  ILE  11          HG23      ILE  11  40.492  19.466  -4.844
  110   HD11  ILE  11           HD1      ILE  11  44.346  18.350  -4.841
  111   HD12  ILE  11           HD2      ILE  11  42.948  19.115  -5.631
  112   HD13  ILE  11           HD3      ILE  11  43.135  17.344  -5.671
  113    H    ILE  12           HN       ILE  12  40.152  15.003  -2.649
  114    HA   ILE  12           HA       ILE  12  37.534  14.733  -3.908
  115    HB   ILE  12           HB       ILE  12  39.270  12.780  -2.365
  116   HG12  ILE  12          HG12      ILE  12  38.949  13.070  -5.391
  117   HG13  ILE  12          HG11      ILE  12  40.252  13.853  -4.472
  118   HG21  ILE  12          HG21      ILE  12  36.747  12.426  -4.032
  119   HG22  ILE  12          HG22      ILE  12  37.110  11.788  -2.411
  120   HG23  ILE  12          HG23      ILE  12  37.897  11.086  -3.835
  121   HD11  ILE  12           HD1      ILE  12  41.337  11.886  -5.113
  122   HD12  ILE  12           HD2      ILE  12  39.845  10.921  -5.093
  123   HD13  ILE  12           HD3      ILE  12  40.650  11.347  -3.565
  124    H    GLY  13           HN       GLY  13  38.347  12.954  -0.957
  125    HA2  GLY  13           HA1      GLY  13  35.774  13.414   0.225
  126    HA3  GLY  13           HA2      GLY  13  37.227  12.825   1.068
  127    H    GLY  14           HN       GLY  14  38.269  15.345  -0.531
  128    HA2  GLY  14           HA1      GLY  14  38.213  17.158   1.807
  129    HA3  GLY  14           HA2      GLY  14  39.115  17.383   0.290
  130    H    ALA  15           HN       ALA  15  37.121  17.081  -1.620
  131    HA   ALA  15           HA       ALA  15  35.581  19.617  -1.142
  132    HB1  ALA  15           HB1      ALA  15  35.069  19.516  -3.510
  133    HB2  ALA  15           HB2      ALA  15  35.739  17.872  -3.632
  134    HB3  ALA  15           HB3      ALA  15  36.815  19.253  -3.303
  135    H    ALA  16           HN       ALA  16  35.138  17.127   0.306
  136    HA   ALA  16           HA       ALA  16  33.312  15.966   1.102
  137    HB1  ALA  16           HB1      ALA  16  31.131  16.766   0.748
  138    HB2  ALA  16           HB2      ALA  16  31.493  17.330  -0.900
  139    HB3  ALA  16           HB3      ALA  16  32.129  18.218   0.504
  140    H    LEU  17           HN       LEU  17  35.014  14.789  -0.702
  141    HA   LEU  17           HA       LEU  17  35.087  12.947  -2.117
  142    HB2  LEU  17           HB2      LEU  17  32.074  12.669  -1.805
  143    HB3  LEU  17           HB1      LEU  17  33.237  11.410  -2.257
  144    HG   LEU  17           HG       LEU  17  33.505  12.822   0.426
  145   HD11  LEU  17          HD11      LEU  17  31.652  10.506  -0.262
  146   HD12  LEU  17          HD12      LEU  17  31.199  12.080   0.434
  147   HD13  LEU  17          HD13      LEU  17  32.150  10.923   1.395
  148   HD21  LEU  17          HD21      LEU  17  34.651  10.797   1.065
  149   HD22  LEU  17          HD22      LEU  17  35.285  11.237  -0.537
  150   HD23  LEU  17          HD23      LEU  17  34.082   9.939  -0.386
  151    H    ASP  18           HN       ASP  18  34.013  15.800  -2.895
  152    HA   ASP  18           HA       ASP  18  33.445  16.857  -4.878
  153    HB2  ASP  18           HB2      ASP  18  35.454  15.542  -5.643
  154    HB3  ASP  18           HB1      ASP  18  34.341  14.274  -6.210
  155    H    HIS  19           HN       HIS  19  31.297  15.756  -3.553
  156    HA   HIS  19           HA       HIS  19  29.120  15.005  -3.869
  157    HB2  HIS  19           HB2      HIS  19  29.682  16.177  -6.620
  158    HB3  HIS  19           HB1      HIS  19  28.067  15.724  -6.026
  159    HD1  HIS  19           HD1      HIS  19  27.647  18.419  -6.392
  160    HD2  HIS  19           HD2      HIS  19  30.077  17.256  -3.163
  161    HE1  HIS  19           HE1      HIS  19  27.813  20.415  -4.806
  162    H    LEU  20           HN       LEU  20  30.833  12.910  -3.966
  163    HA   LEU  20           HA       LEU  20  31.061  10.744  -4.760
  164    HB2  LEU  20           HB2      LEU  20  28.351  11.071  -6.087
  165    HB3  LEU  20           HB1      LEU  20  29.061   9.618  -5.343
  166    HG   LEU  20           HG       LEU  20  28.135  12.142  -3.900
  167   HD11  LEU  20          HD11      LEU  20  26.464  10.657  -2.908
  168   HD12  LEU  20          HD12      LEU  20  27.166   9.253  -3.747
  169   HD13  LEU  20          HD13      LEU  20  26.364  10.539  -4.681
  170   HD21  LEU  20          HD21      LEU  20  29.615   9.656  -2.936
  171   HD22  LEU  20          HD22      LEU  20  28.674  10.692  -1.835
  172   HD23  LEU  20          HD23      LEU  20  30.070  11.362  -2.710
  Start of MODEL   95
    1    H1   TRP   1           HT1      TRP   1  31.571  17.573  10.293
    2    H2   TRP   1           HT2      TRP   1  32.752  18.785  10.452
    3    H3   TRP   1           HT3      TRP   1  32.014  18.124  11.834
    4    HA   TRP   1           HA       TRP   1  34.362  17.360  10.727
    5    HB2  TRP   1           HB2      TRP   1  34.093  15.411  12.340
    6    HB3  TRP   1           HB1      TRP   1  33.840  17.025  13.046
    7    HD1  TRP   1           HD1      TRP   1  31.924  13.909  11.894
    8    HE1  TRP   1           HE1      TRP   1  29.544  13.918  12.943
    9    HE3  TRP   1           HE3      TRP   1  32.005  18.556  14.042
   10    HZ2  TRP   1           HZ2      TRP   1  27.923  15.719  14.500
   11    HZ3  TRP   1           HZ3      TRP   1  30.030  19.399  15.305
   12    HH2  TRP   1           HH2      TRP   1  27.991  17.986  15.536
   13    H    LEU   2           HN       LEU   2  35.138  15.608   9.593
   14    HA   LEU   2           HA       LEU   2  33.339  14.508   7.605
   15    HB2  LEU   2           HB2      LEU   2  36.106  13.455   8.269
   16    HB3  LEU   2           HB1      LEU   2  35.260  13.434   6.704
   17    HG   LEU   2           HG       LEU   2  36.256  15.914   8.179
   18   HD11  LEU   2          HD11      LEU   2  37.160  14.569   5.593
   19   HD12  LEU   2          HD12      LEU   2  38.046  14.558   7.137
   20   HD13  LEU   2          HD13      LEU   2  37.811  16.087   6.256
   21   HD21  LEU   2          HD21      LEU   2  35.623  16.988   5.904
   22   HD22  LEU   2          HD22      LEU   2  34.283  16.574   6.996
   23   HD23  LEU   2          HD23      LEU   2  34.660  15.519   5.612
   24    H    ARG   3           HN       ARG   3  35.470  12.731   9.836
   25    HA   ARG   3           HA       ARG   3  33.286  11.114  10.901
   26    HB2  ARG   3           HB2      ARG   3  33.586  10.086   8.637
   27    HB3  ARG   3           HB1      ARG   3  35.294   9.784   9.033
   28    HG2  ARG   3           HG2      ARG   3  34.689   8.315  10.859
   29    HG3  ARG   3           HG1      ARG   3  32.970   8.754  10.710
   30    HD2  ARG   3           HD2      ARG   3  32.800   7.680   8.555
   31    HD3  ARG   3           HD1      ARG   3  34.562   7.449   8.465
   32    HE   ARG   3           HE       ARG   3  33.453   6.153  10.809
   33   HH11  ARG   3          HH11      ARG   3  34.423   4.001  10.638
   34   HH12  ARG   3          HH12      ARG   3  34.105   3.127   9.177
   35   HH21  ARG   3          HH21      ARG   3  32.781   5.867   7.513
   36   HH22  ARG   3          HH22      ARG   3  33.175   4.184   7.408
   37    H    ARG   4           HN       ARG   4  36.472  12.236  10.579
   38    HA   ARG   4           HA       ARG   4  37.121  11.579  13.322
   39    HB2  ARG   4           HB2      ARG   4  37.566   9.398  11.958
   40    HB3  ARG   4           HB1      ARG   4  38.940  10.280  11.257
   41    HG2  ARG   4           HG2      ARG   4  39.921  10.617  13.469
   42    HG3  ARG   4           HG1      ARG   4  38.487   9.914  14.255
   43    HD2  ARG   4           HD2      ARG   4  38.933   7.766  13.029
   44    HD3  ARG   4           HD1      ARG   4  40.437   8.481  12.402
   45    HE   ARG   4           HE       ARG   4  40.009   7.486  15.115
   46   HH11  ARG   4          HH11      ARG   4  41.164   8.949  16.700
   47   HH12  ARG   4          HH12      ARG   4  42.750   9.433  16.194
   48   HH21  ARG   4          HH21      ARG   4  42.290   8.444  12.903
   49   HH22  ARG   4          HH22      ARG   4  43.386   9.148  14.044
   50    H    ILE   5           HN       ILE   5  37.050  13.533  10.815
   51    HA   ILE   5           HA       ILE   5  38.398  15.232   9.942
   52    HB   ILE   5           HB       ILE   5  39.177  16.831  11.688
   53   HG12  ILE   5          HG12      ILE   5  38.199  14.742  13.696
   54   HG13  ILE   5          HG11      ILE   5  39.915  15.023  13.332
   55   HG21  ILE   5          HG21      ILE   5  36.458  15.654  12.396
   56   HG22  ILE   5          HG22      ILE   5  36.756  16.606  10.924
   57   HG23  ILE   5          HG23      ILE   5  36.976  17.351  12.523
   58   HD11  ILE   5           HD1      ILE   5  37.923  16.910  14.632
   59   HD12  ILE   5           HD2      ILE   5  39.435  17.511  13.910
   60   HD13  ILE   5           HD3      ILE   5  39.490  16.349  15.254
   61    H    GLY   6           HN       GLY   6  39.803  12.625  10.302
   62    HA2  GLY   6           HA1      GLY   6  42.620  13.637  10.653
   63    HA3  GLY   6           HA2      GLY   6  42.091  11.959  10.884
   64    H    LYS   7           HN       LYS   7  41.002  10.963   8.886
   65    HA   LYS   7           HA       LYS   7  42.944  11.195   6.703
   66    HB2  LYS   7           HB2      LYS   7  41.839   9.040   7.533
   67    HB3  LYS   7           HB1      LYS   7  40.355   9.602   6.736
   68    HG2  LYS   7           HG2      LYS   7  41.300   8.318   5.017
   69    HG3  LYS   7           HG1      LYS   7  41.963   9.919   4.623
   70    HD2  LYS   7           HD2      LYS   7  44.065   9.355   5.791
   71    HD3  LYS   7           HD1      LYS   7  43.393   7.779   6.269
   72    HE2  LYS   7           HE2      LYS   7  43.656   8.679   3.373
   73    HE3  LYS   7           HE1      LYS   7  44.895   7.721   4.218
   74    HZ1  LYS   7           HZ1      LYS   7  43.156   6.459   2.896
   75    HZ2  LYS   7           HZ2      LYS   7  42.053   6.877   4.118
   76    HZ3  LYS   7           HZ3      LYS   7  43.422   5.941   4.488
   77    H    GLY   8           HN       GLY   8  42.746  12.218   4.796
   78    HA2  GLY   8           HA1      GLY   8  40.258  12.843   3.546
   79    HA3  GLY   8           HA2      GLY   8  40.802  14.261   4.463
   80    H    VAL   9           HN       VAL   9  40.581  13.377   1.476
   81    HA   VAL   9           HA       VAL   9  43.328  13.526   0.517
   82    HB   VAL   9           HB       VAL   9  40.755  14.074  -1.030
   83   HG11  VAL   9          HG11      VAL   9  42.216  13.154  -2.922
   84   HG12  VAL   9          HG12      VAL   9  43.599  13.310  -1.814
   85   HG13  VAL   9          HG13      VAL   9  42.682  14.754  -2.304
   86   HG21  VAL   9          HG21      VAL   9  42.240  11.457  -0.516
   87   HG22  VAL   9          HG22      VAL   9  40.869  11.660  -1.634
   88   HG23  VAL   9          HG23      VAL   9  40.633  11.891   0.115
   89    H    LYS  10           HN       LYS  10  41.058  15.782   1.695
   90    HA   LYS  10           HA       LYS  10  41.154  18.079   1.925
   91    HB2  LYS  10           HB2      LYS  10  43.858  18.036   0.545
   92    HB3  LYS  10           HB1      LYS  10  43.201  19.282   1.621
   93    HG2  LYS  10           HG2      LYS  10  43.373  17.892   3.548
   94    HG3  LYS  10           HG1      LYS  10  43.596  16.419   2.578
   95    HD2  LYS  10           HD2      LYS  10  45.748  17.121   3.516
   96    HD3  LYS  10           HD1      LYS  10  45.765  17.311   1.746
   97    HE2  LYS  10           HE2      LYS  10  44.980  19.636   3.539
   98    HE3  LYS  10           HE1      LYS  10  46.690  19.272   3.215
   99    HZ1  LYS  10           HZ1      LYS  10  44.718  20.444   1.494
  100    HZ2  LYS  10           HZ2      LYS  10  45.508  19.129   0.761
  101    HZ3  LYS  10           HZ3      LYS  10  46.409  20.440   1.360
  102    H    ILE  11           HN       ILE  11  41.431  16.500  -1.081
  103    HA   ILE  11           HA       ILE  11  40.563  19.008  -2.536
  104    HB   ILE  11           HB       ILE  11  41.955  16.600  -3.756
  105   HG12  ILE  11          HG12      ILE  11  43.143  19.246  -2.798
  106   HG13  ILE  11          HG11      ILE  11  43.470  17.640  -2.112
  107   HG21  ILE  11          HG21      ILE  11  40.540  18.215  -5.181
  108   HG22  ILE  11          HG22      ILE  11  42.233  18.016  -5.683
  109   HG23  ILE  11          HG23      ILE  11  41.737  19.466  -4.776
  110   HD11  ILE  11           HD1      ILE  11  45.313  18.013  -3.551
  111   HD12  ILE  11           HD2      ILE  11  44.297  18.748  -4.811
  112   HD13  ILE  11           HD3      ILE  11  44.231  16.990  -4.525
  113    H    ILE  12           HN       ILE  12  40.330  15.438  -2.372
  114    HA   ILE  12           HA       ILE  12  37.830  15.549  -4.011
  115    HB   ILE  12           HB       ILE  12  39.414  13.167  -2.972
  116   HG12  ILE  12          HG12      ILE  12  39.396  14.404  -5.767
  117   HG13  ILE  12          HG11      ILE  12  40.675  14.676  -4.566
  118   HG21  ILE  12          HG21      ILE  12  37.068  12.607  -3.512
  119   HG22  ILE  12          HG22      ILE  12  38.133  11.934  -4.758
  120   HG23  ILE  12          HG23      ILE  12  37.214  13.422  -5.084
  121   HD11  ILE  12           HD1      ILE  12  40.015  12.161  -6.115
  122   HD12  ILE  12           HD2      ILE  12  40.758  12.003  -4.506
  123   HD13  ILE  12           HD3      ILE  12  41.596  12.902  -5.789
  124    H    GLY  13           HN       GLY  13  38.329  12.950  -1.700
  125    HA2  GLY  13           HA1      GLY  13  35.769  13.288  -0.500
  126    HA3  GLY  13           HA2      GLY  13  37.129  12.378   0.201
  127    H    GLY  14           HN       GLY  14  38.480  15.122  -0.476
  128    HA2  GLY  14           HA1      GLY  14  38.262  16.211   2.264
  129    HA3  GLY  14           HA2      GLY  14  39.380  16.725   0.984
  130    H    ALA  15           HN       ALA  15  37.721  17.227  -1.166
  131    HA   ALA  15           HA       ALA  15  36.399  19.720  -0.192
  132    HB1  ALA  15           HB1      ALA  15  37.750  19.598  -2.330
  133    HB2  ALA  15           HB2      ALA  15  36.104  20.248  -2.517
  134    HB3  ALA  15           HB3      ALA  15  36.459  18.574  -3.004
  135    H    ALA  16           HN       ALA  16  35.470  17.094   0.665
  136    HA   ALA  16           HA       ALA  16  33.420  16.160   1.139
  137    HB1  ALA  16           HB1      ALA  16  31.427  17.326   0.753
  138    HB2  ALA  16           HB2      ALA  16  32.002  18.022  -0.780
  139    HB3  ALA  16           HB3      ALA  16  32.632  18.634   0.768
  140    H    LEU  17           HN       LEU  17  35.199  15.174  -0.888
  141    HA   LEU  17           HA       LEU  17  35.161  13.760  -2.744
  142    HB2  LEU  17           HB2      LEU  17  33.424  12.781  -0.864
  143    HB3  LEU  17           HB1      LEU  17  32.318  12.916  -2.246
  144    HG   LEU  17           HG       LEU  17  35.002  11.450  -2.269
  145   HD11  LEU  17          HD11      LEU  17  33.192  10.390  -0.871
  146   HD12  LEU  17          HD12      LEU  17  33.679   9.407  -2.273
  147   HD13  LEU  17          HD13      LEU  17  32.164  10.340  -2.322
  148   HD21  LEU  17          HD21      LEU  17  34.413  12.328  -4.482
  149   HD22  LEU  17          HD22      LEU  17  32.758  11.686  -4.325
  150   HD23  LEU  17          HD23      LEU  17  34.138  10.570  -4.455
  151    H    ASP  18           HN       ASP  18  34.229  16.528  -3.104
  152    HA   ASP  18           HA       ASP  18  33.250  17.833  -4.746
  153    HB2  ASP  18           HB2      ASP  18  34.730  16.523  -6.206
  154    HB3  ASP  18           HB1      ASP  18  33.485  15.260  -6.357
  155    H    HIS  19           HN       HIS  19  31.778  14.806  -5.917
  156    HA   HIS  19           HA       HIS  19  29.213  15.830  -6.310
  157    HB2  HIS  19           HB2      HIS  19  30.076  13.557  -6.998
  158    HB3  HIS  19           HB1      HIS  19  29.807  13.013  -5.326
  159    HD1  HIS  19           HD1      HIS  19  27.631  11.837  -5.070
  160    HD2  HIS  19           HD2      HIS  19  27.407  14.949  -7.892
  161    HE1  HIS  19           HE1      HIS  19  25.239  11.879  -5.969
  162    H    LEU  20           HN       LEU  20  30.065  13.742  -3.501
  163    HA   LEU  20           HA       LEU  20  27.717  14.668  -2.029
  164    HB2  LEU  20           HB2      LEU  20  30.121  13.184  -0.907
  165    HB3  LEU  20           HB1      LEU  20  28.450  13.190  -0.294
  166    HG   LEU  20           HG       LEU  20  29.398  12.019  -2.949
  167   HD11  LEU  20          HD11      LEU  20  28.319  10.738  -0.397
  168   HD12  LEU  20          HD12      LEU  20  30.003  10.670  -0.971
  169   HD13  LEU  20          HD13      LEU  20  28.712   9.869  -1.900
  170   HD21  LEU  20          HD21      LEU  20  27.189  12.811  -3.361
  171   HD22  LEU  20          HD22      LEU  20  26.639  12.405  -1.716
  172   HD23  LEU  20          HD23      LEU  20  26.951  11.111  -2.899
  Start of MODEL   96
    1    H1   TRP   1           HT1      TRP   1  45.196  11.546  12.121
    2    H2   TRP   1           HT2      TRP   1  45.779  10.365  11.048
    3    H3   TRP   1           HT3      TRP   1  45.545   9.987  12.689
    4    HA   TRP   1           HA       TRP   1  43.195  10.298  12.472
    5    HB2  TRP   1           HB2      TRP   1  43.915  10.849   9.567
    6    HB3  TRP   1           HB1      TRP   1  42.262  10.578  10.168
    7    HD1  TRP   1           HD1      TRP   1  41.219  12.430  11.780
    8    HE1  TRP   1           HE1      TRP   1  41.762  14.947  12.152
    9    HE3  TRP   1           HE3      TRP   1  45.846  12.588   9.597
   10    HZ2  TRP   1           HZ2      TRP   1  43.927  16.754  11.567
   11    HZ3  TRP   1           HZ3      TRP   1  47.132  14.718   9.515
   12    HH2  TRP   1           HH2      TRP   1  46.178  16.799  10.496
   13    H    LEU   2           HN       LEU   2  42.067   8.424  12.343
   14    HA   LEU   2           HA       LEU   2  43.535   6.016  11.698
   15    HB2  LEU   2           HB2      LEU   2  40.584   6.522  12.268
   16    HB3  LEU   2           HB1      LEU   2  41.296   4.908  12.065
   17    HG   LEU   2           HG       LEU   2  42.973   5.604  13.922
   18   HD11  LEU   2          HD11      LEU   2  40.899   7.818  14.154
   19   HD12  LEU   2          HD12      LEU   2  42.672   7.953  14.139
   20   HD13  LEU   2          HD13      LEU   2  41.848   7.280  15.558
   21   HD21  LEU   2          HD21      LEU   2  40.014   5.299  14.603
   22   HD22  LEU   2          HD22      LEU   2  41.373   4.955  15.699
   23   HD23  LEU   2          HD23      LEU   2  41.135   3.967  14.239
   24    H    ARG   3           HN       ARG   3  41.913   8.288   9.837
   25    HA   ARG   3           HA       ARG   3  41.541   8.364   7.549
   26    HB2  ARG   3           HB2      ARG   3  43.520   6.626   7.535
   27    HB3  ARG   3           HB1      ARG   3  42.244   5.428   7.220
   28    HG2  ARG   3           HG2      ARG   3  41.471   6.838   5.283
   29    HG3  ARG   3           HG1      ARG   3  42.870   7.904   5.555
   30    HD2  ARG   3           HD2      ARG   3  44.361   5.869   5.320
   31    HD3  ARG   3           HD1      ARG   3  42.920   4.946   4.831
   32    HE   ARG   3           HE       ARG   3  43.101   5.968   2.717
   33   HH11  ARG   3          HH11      ARG   3  44.995   7.605   5.074
   34   HH12  ARG   3          HH12      ARG   3  45.484   8.872   4.000
   35   HH21  ARG   3          HH21      ARG   3  43.595   7.706   1.336
   36   HH22  ARG   3          HH22      ARG   3  44.692   8.929   1.883
   37    H    ARG   4           HN       ARG   4  40.423   5.495   9.322
   38    HA   ARG   4           HA       ARG   4  38.129   5.071   7.548
   39    HB2  ARG   4           HB2      ARG   4  38.481   4.044  10.387
   40    HB3  ARG   4           HB1      ARG   4  37.498   3.344   9.078
   41    HG2  ARG   4           HG2      ARG   4  40.541   3.564   9.110
   42    HG3  ARG   4           HG1      ARG   4  39.599   2.077   9.362
   43    HD2  ARG   4           HD2      ARG   4  40.172   1.947   7.076
   44    HD3  ARG   4           HD1      ARG   4  38.538   2.649   7.018
   45    HE   ARG   4           HE       ARG   4  40.550   4.726   7.151
   46   HH11  ARG   4          HH11      ARG   4  40.704   2.277   4.981
   47   HH12  ARG   4          HH12      ARG   4  40.274   3.201   3.580
   48   HH21  ARG   4          HH21      ARG   4  39.288   5.986   5.394
   49   HH22  ARG   4          HH22      ARG   4  39.475   5.302   3.814
   50    H    ILE   5           HN       ILE   5  38.901   7.126  10.217
   51    HA   ILE   5           HA       ILE   5  36.307   7.475  11.358
   52    HB   ILE   5           HB       ILE   5  38.437   8.348  12.353
   53   HG12  ILE   5          HG12      ILE   5  36.333  10.498  11.813
   54   HG13  ILE   5          HG11      ILE   5  36.186   9.214  13.034
   55   HG21  ILE   5          HG21      ILE   5  39.254   9.228  10.061
   56   HG22  ILE   5          HG22      ILE   5  39.543  10.267  11.474
   57   HG23  ILE   5          HG23      ILE   5  38.207  10.636  10.359
   58   HD11  ILE   5           HD1      ILE   5  38.435  10.080  13.973
   59   HD12  ILE   5           HD2      ILE   5  37.006  11.109  14.228
   60   HD13  ILE   5           HD3      ILE   5  38.174  11.511  12.947
   61    H    GLY   6           HN       GLY   6  37.952   9.118   8.643
   62    HA2  GLY   6           HA1      GLY   6  35.414   9.696   7.367
   63    HA3  GLY   6           HA2      GLY   6  36.118  11.148   8.109
   64    H    LYS   7           HN       LYS   7  38.633   9.131   7.356
   65    HA   LYS   7           HA       LYS   7  40.271   9.231   5.726
   66    HB2  LYS   7           HB2      LYS   7  38.475   8.119   4.408
   67    HB3  LYS   7           HB1      LYS   7  37.931   9.714   3.841
   68    HG2  LYS   7           HG2      LYS   7  40.087  10.133   2.780
   69    HG3  LYS   7           HG1      LYS   7  40.754   8.628   3.459
   70    HD2  LYS   7           HD2      LYS   7  38.929   7.371   2.208
   71    HD3  LYS   7           HD1      LYS   7  38.536   8.902   1.390
   72    HE2  LYS   7           HE2      LYS   7  40.892   9.054   0.585
   73    HE3  LYS   7           HE1      LYS   7  41.236   7.486   1.353
   74    HZ1  LYS   7           HZ1      LYS   7  38.902   7.342  -0.266
   75    HZ2  LYS   7           HZ2      LYS   7  40.333   6.430  -0.360
   76    HZ3  LYS   7           HZ3      LYS   7  40.214   7.916  -1.176
   77    H    GLY   8           HN       GLY   8  38.060  11.498   4.069
   78    HA2  GLY   8           HA1      GLY   8  38.410  13.685   3.406
   79    HA3  GLY   8           HA2      GLY   8  39.155  13.918   5.001
   80    H    VAL   9           HN       VAL   9  39.681  13.347   1.589
   81    HA   VAL   9           HA       VAL   9  42.556  12.974   1.806
   82    HB   VAL   9           HB       VAL   9  40.845  13.830  -0.574
   83   HG11  VAL   9          HG11      VAL   9  42.872  12.919  -1.851
   84   HG12  VAL   9          HG12      VAL   9  43.753  12.962  -0.305
   85   HG13  VAL   9          HG13      VAL   9  43.129  14.469  -1.016
   86   HG21  VAL   9          HG21      VAL   9  42.001  11.123   0.232
   87   HG22  VAL   9          HG22      VAL   9  41.031  11.460  -1.222
   88   HG23  VAL   9          HG23      VAL   9  40.291  11.595   0.391
   89    H    LYS  10           HN       LYS  10  41.211  15.548  -0.229
   90    HA   LYS  10           HA       LYS  10  42.093  17.737   1.430
   91    HB2  LYS  10           HB2      LYS  10  44.329  16.808   0.839
   92    HB3  LYS  10           HB1      LYS  10  43.931  17.000  -0.885
   93    HG2  LYS  10           HG2      LYS  10  43.756  19.402  -0.654
   94    HG3  LYS  10           HG1      LYS  10  43.878  19.294   1.119
   95    HD2  LYS  10           HD2      LYS  10  46.169  18.426   0.943
   96    HD3  LYS  10           HD1      LYS  10  46.056  18.430  -0.833
   97    HE2  LYS  10           HE2      LYS  10  45.735  20.884  -0.815
   98    HE3  LYS  10           HE1      LYS  10  45.833  20.887   0.963
   99    HZ1  LYS  10           HZ1      LYS  10  48.071  20.033   0.825
  100    HZ2  LYS  10           HZ2      LYS  10  47.954  21.451  -0.104
  101    HZ3  LYS  10           HZ3      LYS  10  47.982  19.931  -0.866
  102    H    ILE  11           HN       ILE  11  41.188  16.352  -1.656
  103    HA   ILE  11           HA       ILE  11  39.887  18.968  -2.397
  104    HB   ILE  11           HB       ILE  11  41.160  17.083  -4.426
  105   HG12  ILE  11          HG12      ILE  11  42.303  19.620  -3.166
  106   HG13  ILE  11          HG11      ILE  11  42.938  17.971  -2.966
  107   HG21  ILE  11          HG21      ILE  11  39.278  18.731  -5.046
  108   HG22  ILE  11          HG22      ILE  11  40.786  18.870  -5.977
  109   HG23  ILE  11          HG23      ILE  11  40.434  20.030  -4.674
  110   HD11  ILE  11           HD1      ILE  11  42.932  19.706  -5.458
  111   HD12  ILE  11           HD2      ILE  11  43.127  17.938  -5.564
  112   HD13  ILE  11           HD3      ILE  11  44.309  18.914  -4.659
  113    H    ILE  12           HN       ILE  12  40.123  15.464  -3.141
  114    HA   ILE  12           HA       ILE  12  37.383  15.388  -4.167
  115    HB   ILE  12           HB       ILE  12  39.229  13.146  -3.282
  116   HG12  ILE  12          HG12      ILE  12  40.412  14.418  -4.944
  117   HG13  ILE  12          HG11      ILE  12  39.789  12.972  -5.762
  118   HG21  ILE  12          HG21      ILE  12  37.780  11.948  -5.182
  119   HG22  ILE  12          HG22      ILE  12  36.608  13.234  -4.810
  120   HG23  ILE  12          HG23      ILE  12  37.137  12.117  -3.537
  121   HD11  ILE  12           HD1      ILE  12  39.270  14.718  -7.270
  122   HD12  ILE  12           HD2      ILE  12  38.825  15.843  -5.968
  123   HD13  ILE  12           HD3      ILE  12  37.743  14.496  -6.389
  124    H    GLY  13           HN       GLY  13  38.368  12.881  -1.888
  125    HA2  GLY  13           HA1      GLY  13  35.958  12.965  -0.394
  126    HA3  GLY  13           HA2      GLY  13  37.500  12.290   0.178
  127    H    GLY  14           HN       GLY  14  38.438  15.096  -0.731
  128    HA2  GLY  14           HA1      GLY  14  38.423  16.300   1.949
  129    HA3  GLY  14           HA2      GLY  14  39.247  16.914   0.499
  130    H    ALA  15           HN       ALA  15  37.206  17.132  -1.365
  131    HA   ALA  15           HA       ALA  15  35.681  19.414  -0.167
  132    HB1  ALA  15           HB1      ALA  15  36.725  19.604  -2.441
  133    HB2  ALA  15           HB2      ALA  15  34.969  19.882  -2.435
  134    HB3  ALA  15           HB3      ALA  15  35.617  18.329  -3.009
  135    H    ALA  16           HN       ALA  16  35.302  16.643   0.671
  136    HA   ALA  16           HA       ALA  16  33.481  15.417   1.387
  137    HB1  ALA  16           HB1      ALA  16  32.265  17.740   1.122
  138    HB2  ALA  16           HB2      ALA  16  31.300  16.251   1.265
  139    HB3  ALA  16           HB3      ALA  16  31.555  16.996  -0.330
  140    H    LEU  17           HN       LEU  17  35.154  14.719  -0.832
  141    HA   LEU  17           HA       LEU  17  35.147  13.182  -2.591
  142    HB2  LEU  17           HB2      LEU  17  33.757  11.961  -0.756
  143    HB3  LEU  17           HB1      LEU  17  32.342  12.378  -1.745
  144    HG   LEU  17           HG       LEU  17  33.848  11.334  -3.727
  145   HD11  LEU  17          HD11      LEU  17  34.778   9.640  -1.374
  146   HD12  LEU  17          HD12      LEU  17  35.757  10.985  -1.996
  147   HD13  LEU  17          HD13      LEU  17  35.352   9.618  -3.058
  148   HD21  LEU  17          HD21      LEU  17  32.808   9.085  -3.210
  149   HD22  LEU  17          HD22      LEU  17  31.664  10.446  -3.132
  150   HD23  LEU  17          HD23      LEU  17  32.307   9.737  -1.631
  151    H    ASP  18           HN       ASP  18  34.511  15.734  -3.344
  152    HA   ASP  18           HA       ASP  18  33.580  16.913  -5.102
  153    HB2  ASP  18           HB2      ASP  18  32.672  14.239  -6.224
  154    HB3  ASP  18           HB1      ASP  18  33.013  15.741  -7.112
  155    H    HIS  19           HN       HIS  19  31.253  14.180  -5.093
  156    HA   HIS  19           HA       HIS  19  29.207  15.841  -3.762
  157    HB2  HIS  19           HB2      HIS  19  28.879  14.974  -6.665
  158    HB3  HIS  19           HB1      HIS  19  27.616  15.709  -5.650
  159    HD1  HIS  19           HD1      HIS  19  30.773  16.488  -7.555
  160    HD2  HIS  19           HD2      HIS  19  27.957  18.498  -5.166
  161    HE1  HIS  19           HE1      HIS  19  31.228  18.991  -7.784
  162    H    LEU  20           HN       LEU  20  30.208  13.633  -2.696
  163    HA   LEU  20           HA       LEU  20  29.702  11.479  -1.985
  164    HB2  LEU  20           HB2      LEU  20  26.976  12.622  -2.680
  165    HB3  LEU  20           HB1      LEU  20  27.144  10.978  -2.019
  166    HG   LEU  20           HG       LEU  20  28.240  11.834  -0.017
  167   HD11  LEU  20          HD11      LEU  20  28.348  14.409   0.247
  168   HD12  LEU  20          HD12      LEU  20  28.160  14.479  -1.522
  169   HD13  LEU  20          HD13      LEU  20  29.567  13.654  -0.806
  170   HD21  LEU  20          HD21      LEU  20  26.385  13.099   0.944
  171   HD22  LEU  20          HD22      LEU  20  25.725  11.884  -0.178
  172   HD23  LEU  20          HD23      LEU  20  25.832  13.589  -0.674
  Start of MODEL   97
    1    H1   TRP   1           HT1      TRP   1  39.451  13.373  18.615
    2    H2   TRP   1           HT2      TRP   1  37.941  14.020  18.180
    3    H3   TRP   1           HT3      TRP   1  39.371  14.703  17.566
    4    HA   TRP   1           HA       TRP   1  39.434  12.022  16.926
    5    HB2  TRP   1           HB2      TRP   1  36.791  13.379  16.261
    6    HB3  TRP   1           HB1      TRP   1  37.358  11.839  15.576
    7    HD1  TRP   1           HD1      TRP   1  35.353  13.153  18.338
    8    HE1  TRP   1           HE1      TRP   1  34.961  11.373  20.193
    9    HE3  TRP   1           HE3      TRP   1  38.859   9.710  16.904
   10    HZ2  TRP   1           HZ2      TRP   1  36.043   8.808  20.926
   11    HZ3  TRP   1           HZ3      TRP   1  39.161   7.602  18.196
   12    HH2  TRP   1           HH2      TRP   1  37.758   7.148  20.203
   13    H    LEU   2           HN       LEU   2  40.277  11.834  14.893
   14    HA   LEU   2           HA       LEU   2  41.495  14.063  13.694
   15    HB2  LEU   2           HB2      LEU   2  42.175  11.769  13.203
   16    HB3  LEU   2           HB1      LEU   2  40.604  11.426  12.450
   17    HG   LEU   2           HG       LEU   2  41.071  13.024  10.647
   18   HD11  LEU   2          HD11      LEU   2  43.522  13.956  10.592
   19   HD12  LEU   2          HD12      LEU   2  43.514  13.655  12.347
   20   HD13  LEU   2          HD13      LEU   2  42.335  14.778  11.628
   21   HD21  LEU   2          HD21      LEU   2  43.508  11.260  11.138
   22   HD22  LEU   2          HD22      LEU   2  42.892  11.820   9.565
   23   HD23  LEU   2          HD23      LEU   2  41.945  10.664  10.533
   24    H    ARG   3           HN       ARG   3  38.210  13.089  13.664
   25    HA   ARG   3           HA       ARG   3  36.352  14.155  12.795
   26    HB2  ARG   3           HB2      ARG   3  37.913  16.260  12.954
   27    HB3  ARG   3           HB1      ARG   3  38.065  16.082  11.192
   28    HG2  ARG   3           HG2      ARG   3  35.583  16.137  10.983
   29    HG3  ARG   3           HG1      ARG   3  35.454  16.373  12.743
   30    HD2  ARG   3           HD2      ARG   3  36.960  18.228  10.847
   31    HD3  ARG   3           HD1      ARG   3  35.321  18.528  11.472
   32    HE   ARG   3           HE       ARG   3  37.821  18.838  12.967
   33   HH11  ARG   3          HH11      ARG   3  36.009  20.839  13.642
   34   HH12  ARG   3          HH12      ARG   3  35.135  20.261  15.021
   35   HH21  ARG   3          HH21      ARG   3  36.017  16.944  14.523
   36   HH22  ARG   3          HH22      ARG   3  35.140  18.056  15.521
   37    H    ARG   4           HN       ARG   4  39.073  13.791  10.499
   38    HA   ARG   4           HA       ARG   4  37.270  13.285   8.243
   39    HB2  ARG   4           HB2      ARG   4  40.224  12.590   8.393
   40    HB3  ARG   4           HB1      ARG   4  39.250  12.983   6.956
   41    HG2  ARG   4           HG2      ARG   4  39.948  14.904   9.226
   42    HG3  ARG   4           HG1      ARG   4  40.673  14.898   7.602
   43    HD2  ARG   4           HD2      ARG   4  39.006  16.575   7.462
   44    HD3  ARG   4           HD1      ARG   4  38.222  15.153   6.734
   45    HE   ARG   4           HE       ARG   4  37.709  15.302   9.587
   46   HH11  ARG   4          HH11      ARG   4  35.425  14.406   8.439
   47   HH12  ARG   4          HH12      ARG   4  34.450  15.784   8.047
   48   HH21  ARG   4          HH21      ARG   4  37.083  18.033   8.245
   49   HH22  ARG   4          HH22      ARG   4  35.391  17.838   7.937
   50    H    ILE   5           HN       ILE   5  38.619  11.474  10.844
   51    HA   ILE   5           HA       ILE   5  38.905   9.167  11.170
   52    HB   ILE   5           HB       ILE   5  36.713   7.948  11.001
   53   HG12  ILE   5          HG12      ILE   5  35.660  10.602   9.908
   54   HG13  ILE   5          HG11      ILE   5  35.968   9.174   8.895
   55   HG21  ILE   5          HG21      ILE   5  35.632   9.248  12.718
   56   HG22  ILE   5          HG22      ILE   5  36.385  10.754  12.143
   57   HG23  ILE   5          HG23      ILE   5  37.380   9.500  12.918
   58   HD11  ILE   5           HD1      ILE   5  34.418   7.898  10.541
   59   HD12  ILE   5           HD2      ILE   5  33.655   9.050   9.424
   60   HD13  ILE   5           HD3      ILE   5  33.925   9.508  11.120
   61    H    GLY   6           HN       GLY   6  39.958   9.893   8.625
   62    HA2  GLY   6           HA1      GLY   6  40.375   7.383   7.467
   63    HA3  GLY   6           HA2      GLY   6  38.992   8.075   6.596
   64    H    LYS   7           HN       LYS   7  41.348  10.242   7.947
   65    HA   LYS   7           HA       LYS   7  42.738  11.767   6.885
   66    HB2  LYS   7           HB2      LYS   7  44.012   9.556   6.697
   67    HB3  LYS   7           HB1      LYS   7  43.434   9.472   5.015
   68    HG2  LYS   7           HG2      LYS   7  44.403  11.823   4.698
   69    HG3  LYS   7           HG1      LYS   7  45.195  11.611   6.279
   70    HD2  LYS   7           HD2      LYS   7  45.539   9.797   3.849
   71    HD3  LYS   7           HD1      LYS   7  46.727  10.979   4.444
   72    HE2  LYS   7           HE2      LYS   7  46.563   9.680   6.709
   73    HE3  LYS   7           HE1      LYS   7  45.823   8.386   5.734
   74    HZ1  LYS   7           HZ1      LYS   7  47.769   8.410   4.300
   75    HZ2  LYS   7           HZ2      LYS   7  48.219   8.115   5.912
   76    HZ3  LYS   7           HZ3      LYS   7  48.472   9.647   5.223
   77    H    GLY   8           HN       GLY   8  41.437  13.278   5.967
   78    HA2  GLY   8           HA1      GLY   8  39.843  12.830   3.634
   79    HA3  GLY   8           HA2      GLY   8  40.311  14.409   4.295
   80    H    VAL   9           HN       VAL   9  40.122  13.238   1.497
   81    HA   VAL   9           HA       VAL   9  42.870  13.158   0.521
   82    HB   VAL   9           HB       VAL   9  40.278  13.600  -1.033
   83   HG11  VAL   9          HG11      VAL   9  41.726  12.494  -2.862
   84   HG12  VAL   9          HG12      VAL   9  43.121  12.832  -1.811
   85   HG13  VAL   9          HG13      VAL   9  42.129  14.172  -2.437
   86   HG21  VAL   9          HG21      VAL   9  40.190  11.527   0.294
   87   HG22  VAL   9          HG22      VAL   9  41.794  11.048  -0.313
   88   HG23  VAL   9          HG23      VAL   9  40.409  11.134  -1.428
   89    H    LYS  10           HN       LYS  10  40.748  15.615   1.504
   90    HA   LYS  10           HA       LYS  10  40.992  17.910   1.523
   91    HB2  LYS  10           HB2      LYS  10  43.511  17.262   1.613
   92    HB3  LYS  10           HB1      LYS  10  43.542  17.698  -0.111
   93    HG2  LYS  10           HG2      LYS  10  42.460  19.929   0.583
   94    HG3  LYS  10           HG1      LYS  10  42.852  19.477   2.259
   95    HD2  LYS  10           HD2      LYS  10  45.235  19.284   1.677
   96    HD3  LYS  10           HD1      LYS  10  44.867  19.659  -0.024
   97    HE2  LYS  10           HE2      LYS  10  45.677  21.674   1.166
   98    HE3  LYS  10           HE1      LYS  10  43.984  21.875   0.654
   99    HZ1  LYS  10           HZ1      LYS  10  44.512  22.538   3.008
  100    HZ2  LYS  10           HZ2      LYS  10  44.747  20.890   3.353
  101    HZ3  LYS  10           HZ3      LYS  10  43.228  21.444   2.832
  102    H    ILE  11           HN       ILE  11  41.160  16.085  -1.426
  103    HA   ILE  11           HA       ILE  11  40.065  18.457  -2.949
  104    HB   ILE  11           HB       ILE  11  41.568  16.106  -4.157
  105   HG12  ILE  11          HG12      ILE  11  42.637  18.844  -3.322
  106   HG13  ILE  11          HG11      ILE  11  43.074  17.285  -2.587
  107   HG21  ILE  11          HG21      ILE  11  39.992  17.610  -5.542
  108   HG22  ILE  11          HG22      ILE  11  41.665  17.472  -6.127
  109   HG23  ILE  11          HG23      ILE  11  41.149  18.925  -5.236
  110   HD11  ILE  11           HD1      ILE  11  43.732  18.317  -5.365
  111   HD12  ILE  11           HD2      ILE  11  43.792  16.577  -4.989
  112   HD13  ILE  11           HD3      ILE  11  44.841  17.716  -4.112
  113    H    ILE  12           HN       ILE  12  40.107  14.881  -2.669
  114    HA   ILE  12           HA       ILE  12  37.568  14.729  -4.213
  115    HB   ILE  12           HB       ILE  12  39.289  12.546  -2.971
  116   HG12  ILE  12          HG12      ILE  12  39.237  13.682  -5.806
  117   HG13  ILE  12          HG11      ILE  12  40.549  13.872  -4.621
  118   HG21  ILE  12          HG21      ILE  12  38.089  11.024  -4.485
  119   HG22  ILE  12          HG22      ILE  12  37.193  12.388  -5.194
  120   HG23  ILE  12          HG23      ILE  12  36.907  11.908  -3.508
  121   HD11  ILE  12           HD1      ILE  12  39.703  11.393  -6.149
  122   HD12  ILE  12           HD2      ILE  12  40.544  11.225  -4.587
  123   HD13  ILE  12           HD3      ILE  12  41.329  12.079  -5.935
  124    H    GLY  13           HN       GLY  13  38.223  12.401  -1.661
  125    HA2  GLY  13           HA1      GLY  13  35.662  12.723  -0.450
  126    HA3  GLY  13           HA2      GLY  13  37.083  11.971   0.315
  127    H    GLY  14           HN       GLY  14  38.265  14.694  -0.677
  128    HA2  GLY  14           HA1      GLY  14  38.056  16.059   1.927
  129    HA3  GLY  14           HA2      GLY  14  39.094  16.504   0.556
  130    H    ALA  15           HN       ALA  15  37.328  16.700  -1.569
  131    HA   ALA  15           HA       ALA  15  35.892  19.194  -0.767
  132    HB1  ALA  15           HB1      ALA  15  35.941  17.783  -3.459
  133    HB2  ALA  15           HB2      ALA  15  37.138  18.997  -2.941
  134    HB3  ALA  15           HB3      ALA  15  35.429  19.451  -3.125
  135    H    ALA  16           HN       ALA  16  35.182  16.569   0.336
  136    HA   ALA  16           HA       ALA  16  33.217  15.559   0.988
  137    HB1  ALA  16           HB1      ALA  16  32.254  17.952   0.451
  138    HB2  ALA  16           HB2      ALA  16  31.141  16.575   0.625
  139    HB3  ALA  16           HB3      ALA  16  31.585  17.161  -0.995
  140    H    LEU  17           HN       LEU  17  34.979  14.551  -1.024
  141    HA   LEU  17           HA       LEU  17  34.974  12.914  -2.680
  142    HB2  LEU  17           HB2      LEU  17  33.407  11.894  -0.884
  143    HB3  LEU  17           HB1      LEU  17  32.077  12.367  -1.964
  144    HG   LEU  17           HG       LEU  17  33.566  11.102  -3.816
  145   HD11  LEU  17          HD11      LEU  17  35.425  10.694  -2.111
  146   HD12  LEU  17          HD12      LEU  17  34.836   9.240  -2.947
  147   HD13  LEU  17          HD13      LEU  17  34.315   9.581  -1.280
  148   HD21  LEU  17          HD21      LEU  17  32.321   9.006  -3.301
  149   HD22  LEU  17          HD22      LEU  17  31.280  10.443  -3.160
  150   HD23  LEU  17          HD23      LEU  17  31.912   9.654  -1.694
  151    H    ASP  18           HN       ASP  18  34.593  15.428  -3.653
  152    HA   ASP  18           HA       ASP  18  33.760  16.595  -5.478
  153    HB2  ASP  18           HB2      ASP  18  34.782  14.565  -6.583
  154    HB3  ASP  18           HB1      ASP  18  33.157  13.836  -6.605
  155    H    HIS  19           HN       HIS  19  31.905  15.882  -3.284
  156    HA   HIS  19           HA       HIS  19  29.628  15.954  -2.835
  157    HB2  HIS  19           HB2      HIS  19  29.435  17.345  -5.532
  158    HB3  HIS  19           HB1      HIS  19  28.334  17.514  -4.143
  159    HD1  HIS  19           HD1      HIS  19  29.681  18.332  -1.812
  160    HD2  HIS  19           HD2      HIS  19  31.415  19.268  -5.528
  161    HE1  HIS  19           HE1      HIS  19  31.323  20.252  -1.425
  162    H    LEU  20           HN       LEU  20  30.199  13.496  -3.580
  163    HA   LEU  20           HA       LEU  20  29.358  11.580  -4.572
  164    HB2  LEU  20           HB2      LEU  20  27.327  12.500  -3.337
  165    HB3  LEU  20           HB1      LEU  20  26.800  13.188  -4.885
  166    HG   LEU  20           HG       LEU  20  27.049  10.777  -5.842
  167   HD11  LEU  20          HD11      LEU  20  27.186  10.247  -2.843
  168   HD12  LEU  20          HD12      LEU  20  28.237   9.608  -4.127
  169   HD13  LEU  20          HD13      LEU  20  26.565   9.033  -3.983
  170   HD21  LEU  20          HD21      LEU  20  24.778  10.172  -5.052
  171   HD22  LEU  20          HD22      LEU  20  24.878  11.907  -5.442
  172   HD23  LEU  20          HD23      LEU  20  24.912  11.371  -3.744
  Start of MODEL   98
    1    H1   TRP   1           HT1      TRP   1  50.261  16.307  12.366
    2    H2   TRP   1           HT2      TRP   1  50.553  14.795  11.650
    3    H3   TRP   1           HT3      TRP   1  51.215  15.161  13.171
    4    HA   TRP   1           HA       TRP   1  49.493  14.264  14.124
    5    HB2  TRP   1           HB2      TRP   1  47.936  16.393  12.603
    6    HB3  TRP   1           HB1      TRP   1  47.340  15.476  14.007
    7    HD1  TRP   1           HD1      TRP   1  48.256  16.111  16.374
    8    HE1  TRP   1           HE1      TRP   1  49.648  18.101  17.303
    9    HE3  TRP   1           HE3      TRP   1  49.888  18.089  11.944
   10    HZ2  TRP   1           HZ2      TRP   1  51.245  20.247  16.235
   11    HZ3  TRP   1           HZ3      TRP   1  51.344  20.108  11.922
   12    HH2  TRP   1           HH2      TRP   1  52.024  21.188  14.062
   13    H    LEU   2           HN       LEU   2  49.735  12.274  13.007
   14    HA   LEU   2           HA       LEU   2  48.846  10.473  11.867
   15    HB2  LEU   2           HB2      LEU   2  46.650  11.573  12.813
   16    HB3  LEU   2           HB1      LEU   2  46.388  12.088  11.133
   17    HG   LEU   2           HG       LEU   2  46.903   9.518  10.582
   18   HD11  LEU   2          HD11      LEU   2  46.012   8.025  12.375
   19   HD12  LEU   2          HD12      LEU   2  45.925   9.421  13.474
   20   HD13  LEU   2          HD13      LEU   2  47.503   8.853  12.880
   21   HD21  LEU   2          HD21      LEU   2  44.298  10.552  11.787
   22   HD22  LEU   2          HD22      LEU   2  44.446   9.020  10.891
   23   HD23  LEU   2          HD23      LEU   2  44.767  10.568  10.071
   24    H    ARG   3           HN       ARG   3  49.511  13.452  10.488
   25    HA   ARG   3           HA       ARG   3  50.293  13.984   8.376
   26    HB2  ARG   3           HB2      ARG   3  51.002  11.422   8.486
   27    HB3  ARG   3           HB1      ARG   3  49.701  11.215   7.295
   28    HG2  ARG   3           HG2      ARG   3  52.122  13.059   7.053
   29    HG3  ARG   3           HG1      ARG   3  51.810  11.581   6.115
   30    HD2  ARG   3           HD2      ARG   3  49.623  12.734   5.347
   31    HD3  ARG   3           HD1      ARG   3  50.332  14.232   5.999
   32    HE   ARG   3           HE       ARG   3  52.218  12.933   4.254
   33   HH11  ARG   3          HH11      ARG   3  49.305  13.059   3.019
   34   HH12  ARG   3          HH12      ARG   3  49.495  14.458   2.015
   35   HH21  ARG   3          HH21      ARG   3  52.458  15.457   3.512
   36   HH22  ARG   3          HH22      ARG   3  51.280  15.816   2.295
   37    H    ARG   4           HN       ARG   4  47.776  11.494   7.719
   38    HA   ARG   4           HA       ARG   4  46.538  13.119   5.675
   39    HB2  ARG   4           HB2      ARG   4  45.400  10.749   7.209
   40    HB3  ARG   4           HB1      ARG   4  44.808  11.392   5.656
   41    HG2  ARG   4           HG2      ARG   4  46.952  10.860   4.582
   42    HG3  ARG   4           HG1      ARG   4  47.613  10.293   6.134
   43    HD2  ARG   4           HD2      ARG   4  45.868   8.532   6.231
   44    HD3  ARG   4           HD1      ARG   4  45.223   9.091   4.669
   45    HE   ARG   4           HE       ARG   4  47.989   8.544   4.307
   46   HH11  ARG   4          HH11      ARG   4  45.987   7.339   2.531
   47   HH12  ARG   4          HH12      ARG   4  46.041   5.660   2.954
   48   HH21  ARG   4          HH21      ARG   4  47.661   6.199   5.973
   49   HH22  ARG   4          HH22      ARG   4  46.987   5.015   4.902
   50    H    ILE   5           HN       ILE   5  46.758  13.824   8.800
   51    HA   ILE   5           HA       ILE   5  45.361  14.780  10.416
   52    HB   ILE   5           HB       ILE   5  44.275  16.878   9.583
   53   HG12  ILE   5          HG12      ILE   5  45.297  15.995   6.839
   54   HG13  ILE   5          HG11      ILE   5  43.593  15.883   7.333
   55   HG21  ILE   5          HG21      ILE   5  47.037  16.449   8.365
   56   HG22  ILE   5          HG22      ILE   5  46.755  16.649  10.111
   57   HG23  ILE   5          HG23      ILE   5  46.349  17.967   8.989
   58   HD11  ILE   5           HD1      ILE   5  45.289  18.369   6.927
   59   HD12  ILE   5           HD2      ILE   5  43.795  18.420   7.892
   60   HD13  ILE   5           HD3      ILE   5  43.732  17.950   6.178
   61    H    GLY   6           HN       GLY   6  44.165  12.429   9.733
   62    HA2  GLY   6           HA1      GLY   6  42.088  11.474  10.224
   63    HA3  GLY   6           HA2      GLY   6  41.355  13.090  10.264
   64    H    LYS   7           HN       LYS   7  42.854  10.792   7.946
   65    HA   LYS   7           HA       LYS   7  42.270  10.292   5.757
   66    HB2  LYS   7           HB2      LYS   7  39.443  11.000   6.617
   67    HB3  LYS   7           HB1      LYS   7  39.942   9.858   5.344
   68    HG2  LYS   7           HG2      LYS   7  41.157   8.546   7.186
   69    HG3  LYS   7           HG1      LYS   7  40.291   9.571   8.355
   70    HD2  LYS   7           HD2      LYS   7  38.964   7.858   6.204
   71    HD3  LYS   7           HD1      LYS   7  39.103   7.415   7.922
   72    HE2  LYS   7           HE2      LYS   7  36.943   8.360   7.798
   73    HE3  LYS   7           HE1      LYS   7  37.927   9.732   8.360
   74    HZ1  LYS   7           HZ1      LYS   7  37.492  10.839   6.498
   75    HZ2  LYS   7           HZ2      LYS   7  36.335   9.652   6.122
   76    HZ3  LYS   7           HZ3      LYS   7  37.915   9.527   5.510
   77    H    GLY   8           HN       GLY   8  39.860  11.435   4.393
   78    HA2  GLY   8           HA1      GLY   8  39.318  13.274   3.094
   79    HA3  GLY   8           HA2      GLY   8  40.188  14.295   4.255
   80    H    VAL   9           HN       VAL   9  40.109  13.124   1.110
   81    HA   VAL   9           HA       VAL   9  42.958  12.977   0.591
   82    HB   VAL   9           HB       VAL   9  40.857  13.682  -1.502
   83   HG11  VAL   9          HG11      VAL   9  42.306  12.178  -2.893
   84   HG12  VAL   9          HG12      VAL   9  43.404  11.993  -1.506
   85   HG13  VAL   9          HG13      VAL   9  43.190  13.587  -2.266
   86   HG21  VAL   9          HG21      VAL   9  41.378  10.995  -0.161
   87   HG22  VAL   9          HG22      VAL   9  40.513  11.177  -1.705
   88   HG23  VAL   9          HG23      VAL   9  39.844  11.893  -0.220
   89    H    LYS  10           HN       LYS  10  41.078  15.491   1.566
   90    HA   LYS  10           HA       LYS  10  41.500  17.759   1.709
   91    HB2  LYS  10           HB2      LYS  10  43.966  16.913   1.660
   92    HB3  LYS  10           HB1      LYS  10  43.971  17.461  -0.031
   93    HG2  LYS  10           HG2      LYS  10  43.068  19.713   0.873
   94    HG3  LYS  10           HG1      LYS  10  43.536  19.116   2.483
   95    HD2  LYS  10           HD2      LYS  10  45.859  18.726   1.614
   96    HD3  LYS  10           HD1      LYS  10  45.364  19.457   0.067
   97    HE2  LYS  10           HE2      LYS  10  45.226  20.844   2.782
   98    HE3  LYS  10           HE1      LYS  10  46.497  21.104   1.564
   99    HZ1  LYS  10           HZ1      LYS  10  43.934  21.340   0.378
  100    HZ2  LYS  10           HZ2      LYS  10  45.178  22.493   0.479
  101    HZ3  LYS  10           HZ3      LYS  10  44.031  22.365   1.727
  102    H    ILE  11           HN       ILE  11  41.408  16.086  -1.317
  103    HA   ILE  11           HA       ILE  11  40.566  18.621  -2.730
  104    HB   ILE  11           HB       ILE  11  41.546  16.059  -4.038
  105   HG12  ILE  11          HG12      ILE  11  43.141  18.538  -3.237
  106   HG13  ILE  11          HG11      ILE  11  43.342  16.900  -2.575
  107   HG21  ILE  11          HG21      ILE  11  41.768  17.416  -6.004
  108   HG22  ILE  11          HG22      ILE  11  41.585  18.925  -5.077
  109   HG23  ILE  11          HG23      ILE  11  40.189  17.848  -5.313
  110   HD11  ILE  11           HD1      ILE  11  45.052  17.070  -4.211
  111   HD12  ILE  11           HD2      ILE  11  43.988  17.903  -5.367
  112   HD13  ILE  11           HD3      ILE  11  43.762  16.167  -5.039
  113    H    ILE  12           HN       ILE  12  40.029  15.076  -2.537
  114    HA   ILE  12           HA       ILE  12  37.374  15.424  -3.854
  115    HB   ILE  12           HB       ILE  12  38.847  12.924  -2.949
  116   HG12  ILE  12          HG12      ILE  12  38.560  13.988  -5.800
  117   HG13  ILE  12          HG11      ILE  12  39.962  14.374  -4.781
  118   HG21  ILE  12          HG21      ILE  12  37.216  11.918  -4.762
  119   HG22  ILE  12          HG22      ILE  12  36.294  13.419  -4.536
  120   HG23  ILE  12          HG23      ILE  12  36.554  12.316  -3.167
  121   HD11  ILE  12           HD1      ILE  12  39.163  11.722  -6.004
  122   HD12  ILE  12           HD2      ILE  12  40.084  11.717  -4.481
  123   HD13  ILE  12           HD3      ILE  12  40.759  12.496  -5.927
  124    H    GLY  13           HN       GLY  13  37.836  12.782  -1.601
  125    HA2  GLY  13           HA1      GLY  13  35.481  13.312  -0.129
  126    HA3  GLY  13           HA2      GLY  13  36.855  12.345   0.455
  127    H    GLY  14           HN       GLY  14  38.337  14.933  -0.372
  128    HA2  GLY  14           HA1      GLY  14  38.423  16.095   2.339
  129    HA3  GLY  14           HA2      GLY  14  39.453  16.513   0.952
  130    H    ALA  15           HN       ALA  15  37.683  17.148  -1.051
  131    HA   ALA  15           HA       ALA  15  36.596  19.710   0.034
  132    HB1  ALA  15           HB1      ALA  15  37.821  19.504  -2.190
  133    HB2  ALA  15           HB2      ALA  15  36.249  20.335  -2.240
  134    HB3  ALA  15           HB3      ALA  15  36.382  18.652  -2.802
  135    H    ALA  16           HN       ALA  16  35.545  17.095   0.853
  136    HA   ALA  16           HA       ALA  16  33.444  16.359   1.476
  137    HB1  ALA  16           HB1      ALA  16  31.525  17.655   1.169
  138    HB2  ALA  16           HB2      ALA  16  32.043  18.248  -0.425
  139    HB3  ALA  16           HB3      ALA  16  32.807  18.880   1.052
  140    H    LEU  17           HN       LEU  17  35.048  15.187  -0.589
  141    HA   LEU  17           HA       LEU  17  34.818  13.702  -2.374
  142    HB2  LEU  17           HB2      LEU  17  33.063  12.963  -0.408
  143    HB3  LEU  17           HB1      LEU  17  31.929  13.149  -1.760
  144    HG   LEU  17           HG       LEU  17  34.465  11.439  -1.812
  145   HD11  LEU  17          HD11      LEU  17  32.624  10.607  -0.301
  146   HD12  LEU  17          HD12      LEU  17  32.964   9.528  -1.676
  147   HD13  LEU  17          HD13      LEU  17  31.538  10.593  -1.711
  148   HD21  LEU  17          HD21      LEU  17  33.867  12.278  -4.037
  149   HD22  LEU  17          HD22      LEU  17  32.169  11.802  -3.791
  150   HD23  LEU  17          HD23      LEU  17  33.433  10.558  -3.924
  151    H    ASP  18           HN       ASP  18  34.172  16.516  -2.856
  152    HA   ASP  18           HA       ASP  18  33.290  17.833  -4.545
  153    HB2  ASP  18           HB2      ASP  18  34.510  16.181  -5.949
  154    HB3  ASP  18           HB1      ASP  18  33.037  15.187  -6.032
  155    H    HIS  19           HN       HIS  19  31.384  14.913  -5.337
  156    HA   HIS  19           HA       HIS  19  28.948  16.226  -5.732
  157    HB2  HIS  19           HB2      HIS  19  29.181  13.475  -4.462
  158    HB3  HIS  19           HB1      HIS  19  27.895  14.086  -5.530
  159    HD1  HIS  19           HD1      HIS  19  29.602  15.410  -7.745
  160    HD2  HIS  19           HD2      HIS  19  30.323  11.580  -6.168
  161    HE1  HIS  19           HE1      HIS  19  30.967  14.118  -9.476
  162    H    LEU  20           HN       LEU  20  29.682  14.314  -2.775
  163    HA   LEU  20           HA       LEU  20  27.540  15.547  -1.291
  164    HB2  LEU  20           HB2      LEU  20  28.300  13.351  -0.656
  165    HB3  LEU  20           HB1      LEU  20  29.973  13.917  -0.464
  166    HG   LEU  20           HG       LEU  20  29.391  15.221   1.495
  167   HD11  LEU  20          HD11      LEU  20  26.940  15.085   2.336
  168   HD12  LEU  20          HD12      LEU  20  26.530  14.571   0.682
  169   HD13  LEU  20          HD13      LEU  20  27.265  16.168   0.965
  170   HD21  LEU  20          HD21      LEU  20  27.947  12.536   1.628
  171   HD22  LEU  20          HD22      LEU  20  28.606  13.450   3.005
  172   HD23  LEU  20          HD23      LEU  20  29.705  12.757   1.788
  Start of MODEL   99
    1    H1   TRP   1           HT1      TRP   1  43.747  -0.057  10.661
    2    H2   TRP   1           HT2      TRP   1  45.013   0.379  11.707
    3    H3   TRP   1           HT3      TRP   1  45.355  -0.184  10.140
    4    HA   TRP   1           HA       TRP   1  43.665   1.910   9.753
    5    HB2  TRP   1           HB2      TRP   1  45.807   2.605  11.801
    6    HB3  TRP   1           HB1      TRP   1  44.706   3.746  10.994
    7    HD1  TRP   1           HD1      TRP   1  44.996   1.669  14.019
    8    HE1  TRP   1           HE1      TRP   1  42.733   1.500  15.288
    9    HE3  TRP   1           HE3      TRP   1  41.896   3.522  10.391
   10    HZ2  TRP   1           HZ2      TRP   1  39.965   2.098  14.768
   11    HZ3  TRP   1           HZ3      TRP   1  39.448   3.714  10.799
   12    HH2  TRP   1           HH2      TRP   1  38.480   3.004  12.981
   13    H    LEU   2           HN       LEU   2  44.395   2.946   7.981
   14    HA   LEU   2           HA       LEU   2  46.776   1.989   6.693
   15    HB2  LEU   2           HB2      LEU   2  44.857   4.276   6.183
   16    HB3  LEU   2           HB1      LEU   2  46.312   4.072   5.180
   17    HG   LEU   2           HG       LEU   2  45.609   1.764   4.618
   18   HD11  LEU   2          HD11      LEU   2  44.370   1.053   6.530
   19   HD12  LEU   2          HD12      LEU   2  43.164   1.178   5.229
   20   HD13  LEU   2          HD13      LEU   2  43.286   2.462   6.456
   21   HD21  LEU   2          HD21      LEU   2  43.634   2.381   3.232
   22   HD22  LEU   2          HD22      LEU   2  44.895   3.635   3.172
   23   HD23  LEU   2          HD23      LEU   2  43.448   3.875   4.179
   24    H    ARG   3           HN       ARG   3  46.168   5.425   7.228
   25    HA   ARG   3           HA       ARG   3  48.424   5.852   8.984
   26    HB2  ARG   3           HB2      ARG   3  49.575   5.324   6.760
   27    HB3  ARG   3           HB1      ARG   3  48.803   6.787   6.110
   28    HG2  ARG   3           HG2      ARG   3  50.856   7.671   6.812
   29    HG3  ARG   3           HG1      ARG   3  49.877   7.948   8.269
   30    HD2  ARG   3           HD2      ARG   3  50.751   5.837   9.252
   31    HD3  ARG   3           HD1      ARG   3  51.718   5.557   7.786
   32    HE   ARG   3           HE       ARG   3  52.530   7.199   9.951
   33   HH11  ARG   3          HH11      ARG   3  53.264   9.429   9.468
   34   HH12  ARG   3          HH12      ARG   3  54.074   9.634   7.951
   35   HH21  ARG   3          HH21      ARG   3  53.107   6.544   6.713
   36   HH22  ARG   3          HH22      ARG   3  53.984   8.002   6.392
   37    H    ARG   4           HN       ARG   4  46.071   6.896   6.638
   38    HA   ARG   4           HA       ARG   4  45.470   9.306   8.293
   39    HB2  ARG   4           HB2      ARG   4  46.004   9.313   5.293
   40    HB3  ARG   4           HB1      ARG   4  45.193  10.636   6.159
   41    HG2  ARG   4           HG2      ARG   4  47.994   9.598   6.804
   42    HG3  ARG   4           HG1      ARG   4  47.652  11.031   5.814
   43    HD2  ARG   4           HD2      ARG   4  46.211  11.763   7.955
   44    HD3  ARG   4           HD1      ARG   4  47.321  10.650   8.791
   45    HE   ARG   4           HE       ARG   4  48.995  12.239   7.243
   46   HH11  ARG   4          HH11      ARG   4  49.817  14.230   7.934
   47   HH12  ARG   4          HH12      ARG   4  49.055  15.056   9.252
   48   HH21  ARG   4          HH21      ARG   4  46.575  12.667   9.661
   49   HH22  ARG   4          HH22      ARG   4  47.219  14.171  10.229
   50    H    ILE   5           HN       ILE   5  44.552   6.465   6.893
   51    HA   ILE   5           HA       ILE   5  42.480   5.552   6.397
   52    HB   ILE   5           HB       ILE   5  41.220   8.018   7.674
   53   HG12  ILE   5          HG12      ILE   5  42.371   5.529   9.021
   54   HG13  ILE   5          HG11      ILE   5  43.024   7.179   9.147
   55   HG21  ILE   5          HG21      ILE   5  39.391   6.550   8.163
   56   HG22  ILE   5          HG22      ILE   5  40.347   5.100   7.766
   57   HG23  ILE   5          HG23      ILE   5  39.829   6.208   6.474
   58   HD11  ILE   5           HD1      ILE   5  41.717   6.927  11.112
   59   HD12  ILE   5           HD2      ILE   5  40.410   6.089  10.242
   60   HD13  ILE   5           HD3      ILE   5  40.657   7.839  10.011
   61    H    GLY   6           HN       GLY   6  42.889   5.874   4.137
   62    HA2  GLY   6           HA1      GLY   6  42.185   6.539   2.037
   63    HA3  GLY   6           HA2      GLY   6  40.752   7.244   2.812
   64    H    LYS   7           HN       LYS   7  44.218   7.820   2.161
   65    HA   LYS   7           HA       LYS   7  44.025  10.667   2.727
   66    HB2  LYS   7           HB2      LYS   7  46.288  10.759   1.708
   67    HB3  LYS   7           HB1      LYS   7  46.155   9.471   2.928
   68    HG2  LYS   7           HG2      LYS   7  45.654   7.851   1.041
   69    HG3  LYS   7           HG1      LYS   7  46.041   9.160  -0.101
   70    HD2  LYS   7           HD2      LYS   7  48.308   9.332   0.772
   71    HD3  LYS   7           HD1      LYS   7  47.941   8.169   2.069
   72    HE2  LYS   7           HE2      LYS   7  47.429   6.448   0.298
   73    HE3  LYS   7           HE1      LYS   7  47.992   7.610  -0.928
   74    HZ1  LYS   7           HZ1      LYS   7  49.640   5.897   0.054
   75    HZ2  LYS   7           HZ2      LYS   7  49.704   6.951   1.386
   76    HZ3  LYS   7           HZ3      LYS   7  50.148   7.501  -0.159
   77    H    GLY   8           HN       GLY   8  44.885  12.224   0.934
   78    HA2  GLY   8           HA1      GLY   8  44.721  13.039  -1.274
   79    HA3  GLY   8           HA2      GLY   8  43.790  11.606  -1.750
   80    H    VAL   9           HN       VAL   9  42.450  12.629   1.091
   81    HA   VAL   9           HA       VAL   9  40.125  13.735  -0.288
   82    HB   VAL   9           HB       VAL   9  39.216  14.026   2.031
   83   HG11  VAL   9          HG11      VAL   9  40.513  11.337   1.403
   84   HG12  VAL   9          HG12      VAL   9  38.916  11.895   0.848
   85   HG13  VAL   9          HG13      VAL   9  39.201  11.587   2.578
   86   HG21  VAL   9          HG21      VAL   9  40.563  13.120   3.921
   87   HG22  VAL   9          HG22      VAL   9  41.348  14.533   3.179
   88   HG23  VAL   9          HG23      VAL   9  41.942  12.894   2.820
   89    H    LYS  10           HN       LYS  10  42.631  15.244  -0.592
   90    HA   LYS  10           HA       LYS  10  42.293  17.670   1.055
   91    HB2  LYS  10           HB2      LYS  10  44.070  17.106  -1.354
   92    HB3  LYS  10           HB1      LYS  10  44.178  18.525  -0.284
   93    HG2  LYS  10           HG2      LYS  10  44.835  17.190   1.594
   94    HG3  LYS  10           HG1      LYS  10  44.391  15.676   0.769
   95    HD2  LYS  10           HD2      LYS  10  46.188  15.988  -0.863
   96    HD3  LYS  10           HD1      LYS  10  46.599  17.566  -0.149
   97    HE2  LYS  10           HE2      LYS  10  46.748  14.874   1.278
   98    HE3  LYS  10           HE1      LYS  10  48.136  15.808   0.672
   99    HZ1  LYS  10           HZ1      LYS  10  46.583  17.528   2.222
  100    HZ2  LYS  10           HZ2      LYS  10  48.131  16.919   2.571
  101    HZ3  LYS  10           HZ3      LYS  10  46.747  16.093   3.112
  102    H    ILE  11           HN       ILE  11  40.932  16.355  -1.763
  103    HA   ILE  11           HA       ILE  11  39.780  19.034  -2.506
  104    HB   ILE  11           HB       ILE  11  40.642  16.954  -4.556
  105   HG12  ILE  11          HG12      ILE  11  42.114  19.464  -3.622
  106   HG13  ILE  11          HG11      ILE  11  42.653  17.785  -3.387
  107   HG21  ILE  11          HG21      ILE  11  40.101  19.935  -4.903
  108   HG22  ILE  11          HG22      ILE  11  38.816  18.713  -5.044
  109   HG23  ILE  11          HG23      ILE  11  40.197  18.681  -6.162
  110   HD11  ILE  11           HD1      ILE  11  42.505  17.583  -5.981
  111   HD12  ILE  11           HD2      ILE  11  43.859  18.513  -5.297
  112   HD13  ILE  11           HD3      ILE  11  42.451  19.363  -5.973
  113    H    ILE  12           HN       ILE  12  39.675  15.486  -2.729
  114    HA   ILE  12           HA       ILE  12  36.914  15.433  -3.682
  115    HB   ILE  12           HB       ILE  12  38.675  13.324  -2.393
  116   HG12  ILE  12          HG12      ILE  12  38.013  13.498  -5.366
  117   HG13  ILE  12          HG11      ILE  12  39.341  14.466  -4.691
  118   HG21  ILE  12          HG21      ILE  12  36.991  11.785  -3.754
  119   HG22  ILE  12          HG22      ILE  12  35.929  13.207  -3.696
  120   HG23  ILE  12          HG23      ILE  12  36.488  12.448  -2.187
  121   HD11  ILE  12           HD1      ILE  12  40.281  12.291  -3.716
  122   HD12  ILE  12           HD2      ILE  12  40.324  12.428  -5.487
  123   HD13  ILE  12           HD3      ILE  12  39.080  11.430  -4.707
  124    H    GLY  13           HN       GLY  13  37.943  13.519  -0.881
  125    HA2  GLY  13           HA1      GLY  13  35.558  14.104   0.603
  126    HA3  GLY  13           HA2      GLY  13  37.058  13.407   1.259
  127    H    GLY  14           HN       GLY  14  38.080  15.890  -0.393
  128    HA2  GLY  14           HA1      GLY  14  38.406  17.643   1.968
  129    HA3  GLY  14           HA2      GLY  14  39.152  17.844   0.366
  130    H    ALA  15           HN       ALA  15  36.948  17.751  -1.325
  131    HA   ALA  15           HA       ALA  15  35.672  20.378  -0.621
  132    HB1  ALA  15           HB1      ALA  15  36.641  19.987  -2.911
  133    HB2  ALA  15           HB2      ALA  15  34.913  20.405  -2.921
  134    HB3  ALA  15           HB3      ALA  15  35.419  18.716  -3.160
  135    H    ALA  16           HN       ALA  16  35.181  17.877   0.797
  136    HA   ALA  16           HA       ALA  16  33.348  16.876   1.774
  137    HB1  ALA  16           HB1      ALA  16  31.439  18.342  -0.063
  138    HB2  ALA  16           HB2      ALA  16  32.277  19.213   1.243
  139    HB3  ALA  16           HB3      ALA  16  31.216  17.837   1.628
  140    H    LEU  17           HN       LEU  17  34.794  15.575  -0.162
  141    HA   LEU  17           HA       LEU  17  34.614  13.716  -1.541
  142    HB2  LEU  17           HB2      LEU  17  31.622  13.687  -0.991
  143    HB3  LEU  17           HB1      LEU  17  32.633  12.338  -1.535
  144    HG   LEU  17           HG       LEU  17  33.276  13.710   1.104
  145   HD11  LEU  17          HD11      LEU  17  31.193  11.527   0.672
  146   HD12  LEU  17          HD12      LEU  17  30.878  13.183   1.243
  147   HD13  LEU  17          HD13      LEU  17  31.817  12.056   2.252
  148   HD21  LEU  17          HD21      LEU  17  33.476  10.787   0.258
  149   HD22  LEU  17          HD22      LEU  17  34.258  11.573   1.649
  150   HD23  LEU  17          HD23      LEU  17  34.786  11.958  -0.004
  151    H    ASP  18           HN       ASP  18  33.750  16.632  -2.283
  152    HA   ASP  18           HA       ASP  18  33.156  17.730  -4.229
  153    HB2  ASP  18           HB2      ASP  18  34.964  16.269  -5.139
  154    HB3  ASP  18           HB1      ASP  18  33.734  15.056  -5.563
  155    H    HIS  19           HN       HIS  19  32.034  14.497  -5.271
  156    HA   HIS  19           HA       HIS  19  29.619  15.367  -6.389
  157    HB2  HIS  19           HB2      HIS  19  30.174  12.725  -4.982
  158    HB3  HIS  19           HB1      HIS  19  28.835  13.035  -6.113
  159    HD1  HIS  19           HD1      HIS  19  29.543  13.742  -8.623
  160    HD2  HIS  19           HD2      HIS  19  32.558  12.038  -6.236
  161    HE1  HIS  19           HE1      HIS  19  31.448  13.052 -10.179
  162    H    LEU  20           HN       LEU  20  30.025  13.919  -3.117
  163    HA   LEU  20           HA       LEU  20  28.170  15.814  -1.944
  164    HB2  LEU  20           HB2      LEU  20  26.751  14.047  -3.316
  165    HB3  LEU  20           HB1      LEU  20  27.095  12.977  -1.939
  166    HG   LEU  20           HG       LEU  20  25.745  15.716  -1.827
  167   HD11  LEU  20          HD11      LEU  20  24.354  13.834  -2.697
  168   HD12  LEU  20          HD12      LEU  20  23.775  14.426  -1.121
  169   HD13  LEU  20          HD13      LEU  20  24.707  12.912  -1.217
  170   HD21  LEU  20          HD21      LEU  20  26.988  15.541   0.203
  171   HD22  LEU  20          HD22      LEU  20  26.686  13.792   0.340
  172   HD23  LEU  20          HD23      LEU  20  25.366  14.952   0.630
  Start of MODEL  100
    1    H1   TRP   1           HT1      TRP   1  27.172   9.256   8.645
    2    H2   TRP   1           HT2      TRP   1  26.459  10.510   7.744
    3    H3   TRP   1           HT3      TRP   1  26.523  10.605   9.440
    4    HA   TRP   1           HA       TRP   1  28.831  10.616   7.604
    5    HB2  TRP   1           HB2      TRP   1  27.875  12.874   9.394
    6    HB3  TRP   1           HB1      TRP   1  29.019  12.942   8.031
    7    HD1  TRP   1           HD1      TRP   1  25.479  13.505   8.851
    8    HE1  TRP   1           HE1      TRP   1  24.021  13.747   6.712
    9    HE3  TRP   1           HE3      TRP   1  28.835  11.787   5.387
   10    HZ2  TRP   1           HZ2      TRP   1  24.305  13.251   3.890
   11    HZ3  TRP   1           HZ3      TRP   1  28.219  11.681   2.977
   12    HH2  TRP   1           HH2      TRP   1  25.959  12.410   2.226
   13    H    LEU   2           HN       LEU   2  30.668   9.969   8.500
   14    HA   LEU   2           HA       LEU   2  30.760   9.129  11.258
   15    HB2  LEU   2           HB2      LEU   2  32.841   9.482   9.084
   16    HB3  LEU   2           HB1      LEU   2  33.301   8.983  10.723
   17    HG   LEU   2           HG       LEU   2  32.918   7.101   9.028
   18   HD11  LEU   2          HD11      LEU   2  31.009   6.837  11.382
   19   HD12  LEU   2          HD12      LEU   2  32.768   6.918  11.623
   20   HD13  LEU   2          HD13      LEU   2  32.065   5.610  10.651
   21   HD21  LEU   2          HD21      LEU   2  30.668   6.486   8.425
   22   HD22  LEU   2          HD22      LEU   2  30.861   8.209   8.026
   23   HD23  LEU   2          HD23      LEU   2  29.969   7.727   9.489
   24    H    ARG   3           HN       ARG   3  33.234  11.224   9.893
   25    HA   ARG   3           HA       ARG   3  32.578  13.478  11.664
   26    HB2  ARG   3           HB2      ARG   3  33.807  11.766  13.130
   27    HB3  ARG   3           HB1      ARG   3  35.227  12.037  12.092
   28    HG2  ARG   3           HG2      ARG   3  35.158  14.457  12.621
   29    HG3  ARG   3           HG1      ARG   3  33.732  14.192  13.653
   30    HD2  ARG   3           HD2      ARG   3  36.525  13.044  14.061
   31    HD3  ARG   3           HD1      ARG   3  35.709  14.258  15.074
   32    HE   ARG   3           HE       ARG   3  35.348  11.402  15.265
   33   HH11  ARG   3          HH11      ARG   3  34.175  14.486  16.082
   34   HH12  ARG   3          HH12      ARG   3  32.715  13.910  16.813
   35   HH21  ARG   3          HH21      ARG   3  33.251  10.607  15.900
   36   HH22  ARG   3          HH22      ARG   3  32.192  11.712  16.710
   37    H    ARG   4           HN       ARG   4  34.125  11.876   9.106
   38    HA   ARG   4           HA       ARG   4  34.763  14.378   7.778
   39    HB2  ARG   4           HB2      ARG   4  36.736  13.877   9.435
   40    HB3  ARG   4           HB1      ARG   4  37.159  12.586   8.295
   41    HG2  ARG   4           HG2      ARG   4  38.420  14.344   7.403
   42    HG3  ARG   4           HG1      ARG   4  36.917  14.552   6.479
   43    HD2  ARG   4           HD2      ARG   4  36.158  16.199   8.267
   44    HD3  ARG   4           HD1      ARG   4  37.792  16.088   8.963
   45    HE   ARG   4           HE       ARG   4  37.073  17.625   6.637
   46   HH11  ARG   4          HH11      ARG   4  38.614  17.193   4.763
   47   HH12  ARG   4          HH12      ARG   4  40.282  17.153   5.227
   48   HH21  ARG   4          HH21      ARG   4  39.607  16.858   8.616
   49   HH22  ARG   4          HH22      ARG   4  40.844  16.964   7.409
   50    H    ILE   5           HN       ILE   5  33.660  11.355   7.844
   51    HA   ILE   5           HA       ILE   5  33.290   9.716   6.248
   52    HB   ILE   5           HB       ILE   5  33.764  12.085   4.376
   53   HG12  ILE   5          HG12      ILE   5  31.244  11.999   4.228
   54   HG13  ILE   5          HG11      ILE   5  31.248  10.741   5.482
   55   HG21  ILE   5          HG21      ILE   5  32.766   9.254   3.852
   56   HG22  ILE   5          HG22      ILE   5  34.096  10.112   3.040
   57   HG23  ILE   5          HG23      ILE   5  32.415  10.608   2.752
   58   HD11  ILE   5           HD1      ILE   5  30.894  13.289   6.152
   59   HD12  ILE   5           HD2      ILE   5  32.665  13.370   6.024
   60   HD13  ILE   5           HD3      ILE   5  31.902  12.241   7.171
   61    H    GLY   6           HN       GLY   6  35.001   8.355   6.663
   62    HA2  GLY   6           HA1      GLY   6  37.059   7.335   6.327
   63    HA3  GLY   6           HA2      GLY   6  36.693   7.617   4.615
   64    H    LYS   7           HN       LYS   7  37.443   9.977   7.200
   65    HA   LYS   7           HA       LYS   7  39.046  11.665   7.222
   66    HB2  LYS   7           HB2      LYS   7  40.593   9.235   6.270
   67    HB3  LYS   7           HB1      LYS   7  41.404  10.797   6.516
   68    HG2  LYS   7           HG2      LYS   7  41.498   9.279   8.527
   69    HG3  LYS   7           HG1      LYS   7  40.734  10.851   8.854
   70    HD2  LYS   7           HD2      LYS   7  38.537   9.911   8.841
   71    HD3  LYS   7           HD1      LYS   7  39.103   8.396   8.097
   72    HE2  LYS   7           HE2      LYS   7  38.666   8.133  10.539
   73    HE3  LYS   7           HE1      LYS   7  40.376   7.848  10.135
   74    HZ1  LYS   7           HZ1      LYS   7  40.912  10.062  10.846
   75    HZ2  LYS   7           HZ2      LYS   7  40.054   9.291  12.092
   76    HZ3  LYS   7           HZ3      LYS   7  39.280  10.440  11.108
   77    H    GLY   8           HN       GLY   8  38.421  13.244   5.836
   78    HA2  GLY   8           HA1      GLY   8  38.260  13.129   3.052
   79    HA3  GLY   8           HA2      GLY   8  38.619  14.604   3.971
   80    H    VAL   9           HN       VAL   9  39.589  13.448   1.323
   81    HA   VAL   9           HA       VAL   9  42.383  12.787   1.721
   82    HB   VAL   9           HB       VAL   9  40.946  13.832  -0.764
   83   HG11  VAL   9          HG11      VAL   9  43.320  14.164  -1.041
   84   HG12  VAL   9          HG12      VAL   9  42.917  12.662  -1.904
   85   HG13  VAL   9          HG13      VAL   9  43.690  12.589  -0.302
   86   HG21  VAL   9          HG21      VAL   9  40.854  11.456  -1.404
   87   HG22  VAL   9          HG22      VAL   9  40.044  11.694   0.164
   88   HG23  VAL   9          HG23      VAL   9  41.682  11.000   0.105
   89    H    LYS  10           HN       LYS  10  41.299  15.535  -0.273
   90    HA   LYS  10           HA       LYS  10  42.463  17.569   1.414
   91    HB2  LYS  10           HB2      LYS  10  44.555  16.398   0.663
   92    HB3  LYS  10           HB1      LYS  10  44.117  16.787  -1.018
   93    HG2  LYS  10           HG2      LYS  10  44.153  19.189  -0.507
   94    HG3  LYS  10           HG1      LYS  10  44.494  18.842   1.205
   95    HD2  LYS  10           HD2      LYS  10  46.616  17.728   0.549
   96    HD3  LYS  10           HD1      LYS  10  46.280  18.111  -1.157
   97    HE2  LYS  10           HE2      LYS  10  47.782  19.813  -0.298
   98    HE3  LYS  10           HE1      LYS  10  46.179  20.556  -0.505
   99    HZ1  LYS  10           HZ1      LYS  10  45.984  20.882   1.681
  100    HZ2  LYS  10           HZ2      LYS  10  47.654  20.587   1.776
  101    HZ3  LYS  10           HZ3      LYS  10  46.548  19.332   2.074
  102    H    ILE  11           HN       ILE  11  41.224  16.368  -1.607
  103    HA   ILE  11           HA       ILE  11  40.113  19.090  -2.206
  104    HB   ILE  11           HB       ILE  11  41.257  17.284  -4.380
  105   HG12  ILE  11          HG12      ILE  11  42.543  19.659  -2.952
  106   HG13  ILE  11          HG11      ILE  11  43.117  17.976  -2.938
  107   HG21  ILE  11          HG21      ILE  11  39.442  19.053  -4.848
  108   HG22  ILE  11          HG22      ILE  11  40.936  19.187  -5.802
  109   HG23  ILE  11          HG23      ILE  11  40.664  20.273  -4.418
  110   HD11  ILE  11           HD1      ILE  11  44.473  19.034  -4.575
  111   HD12  ILE  11           HD2      ILE  11  43.102  19.949  -5.245
  112   HD13  ILE  11           HD3      ILE  11  43.226  18.195  -5.530
  113    H    ILE  12           HN       ILE  12  40.181  15.615  -3.070
  114    HA   ILE  12           HA       ILE  12  37.427  15.687  -4.079
  115    HB   ILE  12           HB       ILE  12  39.226  13.371  -3.286
  116   HG12  ILE  12          HG12      ILE  12  40.332  14.639  -5.019
  117   HG13  ILE  12          HG11      ILE  12  39.662  13.183  -5.778
  118   HG21  ILE  12          HG21      ILE  12  37.110  12.374  -3.428
  119   HG22  ILE  12          HG22      ILE  12  37.632  12.228  -5.119
  120   HG23  ILE  12          HG23      ILE  12  36.516  13.528  -4.640
  121   HD11  ILE  12           HD1      ILE  12  38.720  16.058  -6.000
  122   HD12  ILE  12           HD2      ILE  12  37.588  14.722  -6.310
  123   HD13  ILE  12           HD3      ILE  12  39.058  14.887  -7.293
  124    H    GLY  13           HN       GLY  13  38.396  13.113  -1.862
  125    HA2  GLY  13           HA1      GLY  13  36.011  13.233  -0.323
  126    HA3  GLY  13           HA2      GLY  13  37.542  12.493   0.199
  127    H    GLY  14           HN       GLY  14  38.540  15.294  -0.684
  128    HA2  GLY  14           HA1      GLY  14  38.638  16.439   2.025
  129    HA3  GLY  14           HA2      GLY  14  39.443  17.058   0.564
  130    H    ALA  15           HN       ALA  15  37.368  17.374  -1.237
  131    HA   ALA  15           HA       ALA  15  35.947  19.682   0.025
  132    HB1  ALA  15           HB1      ALA  15  36.926  19.868  -2.272
  133    HB2  ALA  15           HB2      ALA  15  35.176  20.176  -2.224
  134    HB3  ALA  15           HB3      ALA  15  35.784  18.616  -2.821
  135    H    ALA  16           HN       ALA  16  35.503  16.904   0.842
  136    HA   ALA  16           HA       ALA  16  33.663  15.734   1.602
  137    HB1  ALA  16           HB1      ALA  16  31.509  16.642   1.555
  138    HB2  ALA  16           HB2      ALA  16  31.742  17.398  -0.039
  139    HB3  ALA  16           HB3      ALA  16  32.519  18.098   1.401
  140    H    LEU  17           HN       LEU  17  35.244  15.024  -0.685
  141    HA   LEU  17           HA       LEU  17  35.135  13.568  -2.503
  142    HB2  LEU  17           HB2      LEU  17  33.726  12.418  -0.494
  143    HB3  LEU  17           HB1      LEU  17  32.413  12.552  -1.679
  144    HG   LEU  17           HG       LEU  17  35.122  11.235  -2.211
  145   HD11  LEU  17          HD11      LEU  17  33.853   9.909  -0.614
  146   HD12  LEU  17          HD12      LEU  17  33.737   9.127  -2.210
  147   HD13  LEU  17          HD13      LEU  17  32.371  10.082  -1.585
  148   HD21  LEU  17          HD21      LEU  17  32.535  11.404  -3.827
  149   HD22  LEU  17          HD22      LEU  17  33.916  10.359  -4.237
  150   HD23  LEU  17          HD23      LEU  17  34.104  12.128  -4.256
  151    H    ASP  18           HN       ASP  18  34.381  16.128  -3.123
  152    HA   ASP  18           HA       ASP  18  33.216  17.366  -4.701
  153    HB2  ASP  18           HB2      ASP  18  32.878  14.592  -5.910
  154    HB3  ASP  18           HB1      ASP  18  32.480  16.112  -6.748
  155    H    HIS  19           HN       HIS  19  31.190  14.485  -5.157
  156    HA   HIS  19           HA       HIS  19  29.042  15.498  -3.447
  157    HB2  HIS  19           HB2      HIS  19  27.417  15.880  -5.275
  158    HB3  HIS  19           HB1      HIS  19  28.779  17.024  -5.364
  159    HD1  HIS  19           HD1      HIS  19  30.393  14.127  -6.428
  160    HD2  HIS  19           HD2      HIS  19  27.391  16.461  -8.224
  161    HE1  HIS  19           HE1      HIS  19  30.487  13.684  -8.943
  162    H    LEU  20           HN       LEU  20  30.323  13.125  -3.297
  163    HA   LEU  20           HA       LEU  20  30.019  10.821  -3.395
  164    HB2  LEU  20           HB2      LEU  20  27.178  11.890  -3.361
  165    HB3  LEU  20           HB1      LEU  20  27.507  10.143  -3.354
  166    HG   LEU  20           HG       LEU  20  28.811  10.342  -1.300
  167   HD11  LEU  20          HD11      LEU  20  28.782  12.662  -0.136
  168   HD12  LEU  20          HD12      LEU  20  28.382  13.323  -1.740
  169   HD13  LEU  20          HD13      LEU  20  29.912  12.447  -1.490
  170   HD21  LEU  20          HD21      LEU  20  26.336  10.139  -1.122
  171   HD22  LEU  20          HD22      LEU  20  26.201  11.914  -1.101
  172   HD23  LEU  20          HD23      LEU  20  27.017  11.068   0.236