*HEADER    RIBOSOMAL PROTEIN                       09-JUL-19   6PQF              
*TITLE     SOLUTION STRUCTURE OF OLVA(BCS)                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: OLVA(BCS);                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES OLIVACEUS;                         
*SOURCE   3 ORGANISM_TAXID: 47716;                                               
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    LANTHIPEPTIDE, RIPPS, RIBOSOMAL PROTEIN                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    J.Z.ACEDO,W.A.VAN DER DONK                                            
*REVDAT   1   23-OCT-19 6PQF    0                                                
# Restraints file 1: final.upl
  9 ALA  HB1    14 ALS  HB1     4.72            #peak    24
  9 ALA  HB1    14 ALS  HB2     5.04            #peak    39 #SUP  0.97  #QF  0.89
  4 DBB  HB      8 CYS  HB2     4.53            #peak    41
  4 ABU  HB      8 CYS  HB3     4.53            #peak    42
 10 LYS  HA     10 LYS  QD      4.42            #peak    49
 10 LYS  HA     10 LYS  HD2     5.50            #peak    56 #SUP  1.00  #QF  0.96
 10 LYS  HA     10 LYS  HD3     5.50            #peak    56 #SUP  1.00  #QF  0.96
 10 LYS  HA     15 SER  HB2     5.20            #peak    68 #SUP  0.88  #QF  0.88
 12 CYS  HA     18 ALS  HA      5.50            #peak    69 #SUP  0.60  #QF  0.35
 17 ALA  HA     18 ALS  HA      5.50            #peak    69 #SUP  0.60  #QF  0.35
  2 CYS  HA     14 ALS  HA      5.20            #peak    93 #SUP  1.00
  8 CYS  HA     14 ALS  HB1     5.50            #peak   108 #SUP  0.93  #QF  0.93
 10 LYS  HA     14 ALS  HB1     5.50            #peak   115 #SUP  0.88  #QF  0.88
 10 LYS  HA     15 SER  HB3     5.20            #peak   118 #SUP  0.69  #QF  0.69
  8 CYS  HA      9 ALA  H       2.94            #peak     2 #SUP  0.84  #QF  0.54
  9 ALA  H       9 ALA  HB1     3.07            #peak     3
  8 CYS  H       8 CYS  HB2     3.52            #peak     7
  8 CYS  H       8 CYS  HB3     3.52            #peak     8
 17 ALA  H      17 ALA  QB      3.70            #peak    13
 14 ALS  H      14 ALS  HB1     3.70            #peak    14
 14 ALS  H      14 ALS  HB2     3.76            #peak    15
 13 ALA  H      13 ALA  HB1     3.81            #peak    16
 19 SER  H      19 SER  QB      4.02            #peak    18
  9 ALA  QB     10 LYS  H       3.45            #peak    20
  9 ALA  HA     10 LYS  H       2.84            #peak    22 #SUP  0.45  #QF  0.45
  9 ALA  H      14 ALS  HB1     3.70            #peak    24 #SUP  0.94  #QF  0.94
  9 ALA  H      14 ALS  HB2     4.02            #peak    25 #SUP  0.93  #QF  0.93
  8 CYS  HB3     9 ALA  H       4.54            #peak    27 #SUP  0.99  #QF  0.99
 14 ALS  HB1    15 SER  H       4.57            #peak    28 #SUP  0.76  #QF  0.76
  6 IAS  QB      7 GLY  H       2.76            #peak    29
 17 ALA  QB     19 SER  H       4.49            #peak    30
 15 SER  HB2    16 CYS  H       5.14            #peak    32 #SUP  0.99  #QF  0.99
 15 SER  HB3    16 CYS  H       5.14            #peak    33 #SUP  0.97  #QF  0.97
 11 ABU  HB     16 CYS  H       5.50            #peak    34 #SUP  0.91  #QF  0.91
 17 ALA  QB     18 ALS  H       3.64            #peak    40
  6 IAS  H       8 CYS  HB2     5.50            #peak    44 #SUP  0.81  #QF  0.81
  4 ABU  HG21    6 IAS  H       4.75            #peak    45 #SUP  0.59  #QF  0.59
 18 ALS  HB1    19 SER  H       4.00            #peak    47 #SUP  0.90  #QF  0.90
 17 ALA  HB1    18 ALS  H       5.19            #peak    48 #SUP  1.00  #QF  0.97
 17 ALA  HB2    18 ALS  H       5.50            #peak    48 #SUP  1.00  #QF  0.97
 17 ALA  HB3    18 ALS  H       5.50            #peak    48 #SUP  1.00  #QF  0.97
 13 ALA  HB1    14 ALS  H       4.68            #peak    51 #SUP  0.92  #QF  0.50
 13 ALA  HB2    14 ALS  H       4.98            #peak    51 #SUP  0.92  #QF  0.50
  8 CYS  HB2     9 ALA  H       4.54            #peak    52 #SUP  0.77  #QF  0.77
 18 ALS  HB2    19 SER  H       4.05            #peak    55 #SUP  0.94  #QF  0.94
 18 ALS  H      18 ALS  HB2     3.73            #peak    58 #SUP  0.91  #QF  0.91
 12 CYS  HA     14 ALS  H       3.95            #peak    64 #SUP  0.74  #QF  0.74
 10 LYS  HB2    11 ABU  H       4.47            #peak    69 #SUP  0.81  #QF  0.44
 10 LYS  HB3    11 ABU  H       4.47            #peak    69 #SUP  0.81  #QF  0.44
 10 LYS  H      10 LYS  HB2     3.71            #peak    70 #SUP  0.66  #QF  0.57
 10 LYS  H      10 LYS  HB3     3.71            #peak    70 #SUP  0.66  #QF  0.57
 10 LYS  H      10 LYS  HG2     4.75            #peak    72 #SUP  0.79  #QF  0.51
 10 LYS  H      10 LYS  HG3     4.75            #peak    72 #SUP  0.79  #QF  0.51
 14 ALS  HB2    15 SER  H       5.15            #peak    74 #SUP  0.94  #QF  0.94
 10 LYS  HD2    11 ABU  H       5.50            #peak    75 #SUP  0.77  #QF  0.53
 10 LYS  HD3    11 ABU  H       5.50            #peak    75 #SUP  0.77  #QF  0.53
 12 CYS  HA     16 CYS  H       4.06            #peak    76 #SUP  0.94  #QF  0.94
 11 ABU  HG21   16 CYS  H       5.50            #peak    77 #SUP  0.80  #QF  0.47
 11 ABU  HG22   16 CYS  H       5.50            #peak    77 #SUP  0.80  #QF  0.47
 11 ABU  HG23   16 CYS  H       5.50            #peak    77 #SUP  0.80  #QF  0.47
  6 IAS  HB2     8 CYS  H       5.25            #peak    78 #SUP  0.70  #QF  0.55
  6 IAS  HB3     8 CYS  H       5.25            #peak    78 #SUP  0.70  #QF  0.55
  4 ABU  HG21    8 CYS  H       5.01            #peak    79 #SUP  0.58  #QF  0.58
  6 IAS  H       8 CYS  HB3     5.50            #peak    80 #SUP  0.93  #QF  0.93
 13 ALA  H      14 ALS  H       4.58            #peak    83 #SUP  0.98  #QF  0.98
 15 SER  H      16 CYS  H       3.63            #peak    85 #SUP  0.47  #QF  0.47
 17 ALA  H      18 ALS  H       4.33            #peak    86
  7 GLY  H       8 CYS  H       3.91            #peak    87 #SUP  0.83  #QF  0.83
  8 CYS  H       9 ALA  H       5.03            #peak    88 #SUP  0.84  #QF  0.84
  5 GLY  H       6 IAS  H       5.08            #peak    90 #SUP  1.00
  6 IAS  H       7 GLY  H       5.25            #peak    91 #SUP  0.88  #QF  0.88
  9 ALA  HB1    14 ALS  H       5.00            #peak    92 #SUP  0.70  #QF  0.70
 17 ALA  H      17 ALA  HB2     4.11            #peak    94 #SUP  0.99  #QF  0.75
 17 ALA  H      17 ALA  HB3     4.17            #peak    94 #SUP  0.99  #QF  0.75
 18 ALS  H      18 ALS  HB1     3.69            #peak    95
 14 ALS  H      15 SER  H       5.21            #peak   103 #SUP  0.96  #QF  0.96
  2 CYS  QB      4 ABU  H       4.18            #peak    97
  2 CYS  QB     14 ALS  HA      3.47            #peak   100
  2 CYS  QB     14 ALS  HB1     4.12            #peak    85
  2 CYS  QB     14 ALS  HB2     3.85            #peak    61
  4 ABU  H       8 CYS  QB      5.31            #peak    82
  4 ABU  HB      8 CYS  QB      3.88            #peak    41
  4 ABU  HG21    8 CYS  QB      4.15            #peak    37
  4 ABU  HG23    8 CYS  QB      5.34            #peak    33
  4 ABU  HG23   15 SER  QB      5.34            #peak    74
  6 IAS  H       8 CYS  QB      4.63            #peak    44
  6 IAS  QB      7 GLY  H       2.76            #peak    68
  6 IAS  QB      8 CYS  H       4.42            #peak    78
  8 CYS  H       8 CYS  QB      2.98            #peak     7
  8 CYS  QB      9 ALA  H       3.91            #peak    27
  8 CYS  QB     14 ALS  HB1     5.10            #peak    66
  8 CYS  QB     15 SER  QB      4.76            #peak   103
 10 LYS  H      10 LYS  QB      3.02            #peak    70
 10 LYS  H      10 LYS  QG      4.07            #peak    72
 10 LYS  H      10 LYS  QD      4.84            #peak     1
 10 LYS  HA     15 SER  QB      4.55            #peak    68
 10 LYS  QB     11 ABU  H       3.44            #peak    69
 11 ABU  HB     16 CYS  QB      3.81            #peak    29
 12 CYS  HA     16 CYS  QB      3.59            #peak    45
 15 SER  QB     16 CYS  H       4.48            #peak    32
 16 CYS  H      16 CYS  QB      3.09            #peak    17
 16 CYS  QB     17 ALA  H       3.87            #peak    96
 16 CYS  QB     17 ALA  HA      5.34            #peak    46
 16 CYS  QB     18 ALS  H       3.75            #peak    39
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H        ALA   1   1.807  -0.001   0.855
    2    HA   ALA   1           HA       ALA   1   1.589  -0.651  -1.943
    3    HB1  ALA   1           HB1      ALA   1   2.818   1.413  -2.673
    4    HB2  ALA   1           HB2      ALA   1   1.144   1.672  -2.178
    5    HB3  ALA   1           HB3      ALA   1   2.463   2.100  -1.088
    6    H    CYS   2           H        CYS   2   3.410  -1.608  -2.690
    7    HA   CYS   2           HA       CYS   2   5.672  -1.771  -0.823
    8    HB2  CYS   2           HB2      CYS   2   4.348  -3.679  -2.607
    9    HB3  CYS   2           HB3      CYS   2   6.103  -3.704  -2.741
   10    H    GLY   3           H        GLY   3   5.450  -2.238  -4.343
   11    HA2  GLY   3           HA2      GLY   3   6.379  -0.486  -5.821
   12    HA3  GLY   3           HA3      GLY   3   7.653  -0.287  -4.627
   13    H    DBB   4           H        DBB   4   6.656  -3.517  -5.155
   14    HA   DBB   4           HA       DBB   4   8.108  -4.202  -7.408
   15    HB2  DBB   4           HB       DBB   4   6.544  -5.616  -6.310
   16    HG1  DBB   4          HG21      DBB   4   9.246  -6.863  -6.602
   17    HG2  DBB   4          HG22      DBB   4   8.083  -6.557  -7.893
   18    HG3  DBB   4          HG23      DBB   4   7.715  -7.737  -6.633
   19    H    GLY   5           H        GLY   5  10.250  -5.017  -7.806
   20    HA2  GLY   5           HA2      GLY   5  12.534  -4.267  -7.405
   21    HA3  GLY   5           HA3      GLY   5  12.178  -4.311  -5.685
   22    H    IAS   6           H        IAS   6  13.531  -5.818  -4.830
   23    HA   IAS   6           HA       IAS   6  14.298  -8.173  -6.199
   24    HB2  IAS   6           HB2      IAS   6  15.631  -7.419  -4.333
   25    HB3  IAS   6           HB3      IAS   6  15.019  -9.037  -3.992
   26    HXT  IAS   6           HD2      IAS   6  12.441  -9.874  -6.827
   27    H    GLY   7           H        GLY   7  13.105  -9.095  -2.545
   28    HA2  GLY   7           HA2      GLY   7  13.020  -8.500  -0.138
   29    HA3  GLY   7           HA3      GLY   7  13.121  -6.823  -0.654
   30    H    CYS   8           H        CYS   8  11.298  -7.427  -2.958
   31    HA   CYS   8           HA       CYS   8   8.857  -6.790  -1.617
   32    HB2  CYS   8           HB2      CYS   8   9.663  -6.035  -3.958
   33    HB3  CYS   8           HB3      CYS   8   9.044  -7.588  -4.510
   34    H    ALA   9           H        ALA   9   7.603  -8.226  -0.643
   35    HA   ALA   9           HA       ALA   9   7.815 -11.023  -1.014
   36    HB1  ALA   9           HB1      ALA   9   5.728  -9.350   0.370
   37    HB2  ALA   9           HB2      ALA   9   5.762 -11.113   0.409
   38    HB3  ALA   9           HB3      ALA   9   7.094 -10.191   1.103
   39    H    LYS  10           H        LYS  10   5.995 -12.449  -1.628
   40    HA   LYS  10           HA       LYS  10   4.671 -11.402  -4.032
   41    HB2  LYS  10           HB2      LYS  10   5.455 -14.188  -3.191
   42    HB3  LYS  10           HB3      LYS  10   4.355 -13.891  -4.531
   43    HG2  LYS  10           HG2      LYS  10   6.242 -12.364  -5.426
   44    HG3  LYS  10           HG3      LYS  10   7.266 -13.263  -4.303
   45    HD2  LYS  10           HD2      LYS  10   6.561 -15.364  -5.362
   46    HD3  LYS  10           HD3      LYS  10   5.565 -14.449  -6.497
   47    HE2  LYS  10           HE2      LYS  10   7.463 -13.458  -7.504
   48    HE3  LYS  10           HE3      LYS  10   8.525 -14.001  -6.206
   49    HZ1  LYS  10           HZ1      LYS  10   8.752 -16.014  -7.127
   50    HZ2  LYS  10           HZ2      LYS  10   8.230 -15.264  -8.550
   51    HZ3  LYS  10           HZ3      LYS  10   7.129 -16.119  -7.592
   52    H    DBB  11           H        DBB  11   2.601 -12.954  -4.480
   53    HA   DBB  11           HA       DBB  11   1.050 -13.810  -2.359
   54    HB2  DBB  11           HB       DBB  11   0.612 -14.279  -4.648
   55    HG1  DBB  11          HG21      DBB  11  -1.090 -14.572  -2.944
   56    HG2  DBB  11          HG22      DBB  11  -1.789 -14.280  -4.538
   57    HG3  DBB  11          HG23      DBB  11  -1.750 -12.986  -3.339
   58    H    CYS  12           H        CYS  12  -0.684 -12.886  -1.105
   59    HA   CYS  12           HA       CYS  12  -1.323 -10.099  -1.381
   60    HB2  CYS  12           HB2      CYS  12  -2.973 -11.853  -0.688
   61    HB3  CYS  12           HB3      CYS  12  -2.112 -11.991   0.841
   62    H    ALA  13           H        ALA  13   1.199  -9.821  -1.045
   63    HA   ALA  13           HA       ALA  13   1.557  -9.052   1.775
   64    HB1  ALA  13           HB1      ALA  13   2.889 -11.059   1.267
   65    HB2  ALA  13           HB2      ALA  13   3.713 -10.168  -0.013
   66    HB3  ALA  13           HB3      ALA  13   3.896  -9.667   1.668
   67    H    ALA  14           H        ALA  14   2.302  -8.439  -1.581
   68    HA   ALA  14           HA       ALA  14   2.237  -5.641  -1.373
   69    HB1  ALA  14           HB1      ALA  14   4.830  -6.850  -0.911
   70    HB2  ALA  14           HB2      ALA  14   4.781  -5.990  -2.446
   71    H    SER  15           H        SER  15   3.332  -8.476  -3.171
   72    HA   SER  15           HA       SER  15   3.234  -7.237  -5.730
   73    HB2  SER  15           HB2      SER  15   4.579  -9.254  -5.305
   74    HB3  SER  15           HB3      SER  15   3.106 -10.175  -5.002
   75    HG   SER  15           HG       SER  15   4.250  -9.425  -7.375
   76    H    CYS  16           H        CYS  16   1.198  -9.925  -4.582
   77    HA   CYS  16           HA       CYS  16  -0.905  -9.200  -6.401
   78    HB2  CYS  16           HB2      CYS  16  -1.111 -11.210  -4.163
   79    HB3  CYS  16           HB3      CYS  16  -2.006 -11.174  -5.679
   80    H    ALA  17           H        ALA  17  -3.024  -8.567  -5.851
   81    HA   ALA  17           HA       ALA  17  -3.165  -7.043  -3.345
   82    HB1  ALA  17           HB1      ALA  17  -5.339  -6.253  -4.787
   83    HB2  ALA  17           HB2      ALA  17  -3.768  -5.451  -4.803
   84    HB3  ALA  17           HB3      ALA  17  -4.174  -6.620  -6.060
   85    H    ALA  18           H        ALA  18  -3.653  -8.917  -2.101
   86    HA   ALA  18           HA       ALA  18  -5.772 -10.690  -2.464
   87    HB1  ALA  18           HB1      ALA  18  -5.782 -10.142   0.267
   88    HB2  ALA  18           HB2      ALA  18  -4.900 -11.423  -0.559
   89    H    SER  19           H        SER  19  -7.715 -10.058  -3.112
   90    HA   SER  19           HA       SER  19  -8.931  -7.602  -2.575
   91    HB2  SER  19           HB2      SER  19  -9.494  -9.504  -4.319
   92    HB3  SER  19           HB3      SER  19 -10.623 -10.021  -3.067
   93    HG   SER  19           HG       SER  19 -11.661  -8.580  -4.431
  Start of MODEL    2
    1    H1   ALA   1           H        ALA   1   0.922   2.687   0.126
    2    HA   ALA   1           HA       ALA   1   0.759   0.182  -0.820
    3    HB1  ALA   1           HB1      ALA   1   1.061   2.573  -2.003
    4    HB2  ALA   1           HB2      ALA   1   2.627   1.853  -2.379
    5    HB3  ALA   1           HB3      ALA   1   1.141   1.041  -2.874
    6    H    CYS   2           H        CYS   2   2.443  -1.097  -2.091
    7    HA   CYS   2           HA       CYS   2   4.658  -1.660  -0.284
    8    HB2  CYS   2           HB2      CYS   2   2.959  -3.319  -1.601
    9    HB3  CYS   2           HB3      CYS   2   4.321  -3.303  -2.716
   10    H    GLY   3           H        GLY   3   6.723  -1.169  -0.691
   11    HA2  GLY   3           HA2      GLY   3   7.503   0.607  -2.671
   12    HA3  GLY   3           HA3      GLY   3   8.605  -0.437  -1.785
   13    H    DBB   4           H        DBB   4   7.684  -2.938  -2.695
   14    HA   DBB   4           HA       DBB   4   7.790  -2.819  -5.584
   15    HB2  DBB   4           HB       DBB   4   6.308  -4.312  -4.477
   16    HG1  DBB   4          HG21      DBB   4   8.351  -5.894  -5.974
   17    HG2  DBB   4          HG22      DBB   4   7.239  -4.753  -6.732
   18    HG3  DBB   4          HG23      DBB   4   6.613  -6.179  -5.901
   19    H    GLY   5           H        GLY   5   9.514  -3.406  -6.938
   20    HA2  GLY   5           HA2      GLY   5  11.927  -3.221  -7.102
   21    HA3  GLY   5           HA3      GLY   5  12.039  -4.027  -5.544
   22    H    IAS   6           H        IAS   6  12.570  -6.142  -5.556
   23    HA   IAS   6           HA       IAS   6  12.345  -7.554  -8.106
   24    HB2  IAS   6           HB2      IAS   6  14.454  -7.871  -6.976
   25    HB3  IAS   6           HB3      IAS   6  13.572  -9.398  -6.995
   26    HXT  IAS   6           HD2      IAS   6   9.993  -9.374  -8.080
   27    H    GLY   7           H        GLY   7  12.187  -9.640  -4.905
   28    HA2  GLY   7           HA2      GLY   7  13.195 -10.327  -2.715
   29    HA3  GLY   7           HA3      GLY   7  13.762  -8.668  -2.600
   30    H    CYS   8           H        CYS   8  11.170  -7.747  -3.835
   31    HA   CYS   8           HA       CYS   8   9.830  -6.992  -1.542
   32    HB2  CYS   8           HB2      CYS   8   9.563  -6.115  -3.939
   33    HB3  CYS   8           HB3      CYS   8   8.414  -7.429  -4.166
   34    H    ALA   9           H        ALA   9   7.710  -7.606  -0.737
   35    HA   ALA   9           HA       ALA   9   7.515 -10.276  -0.018
   36    HB1  ALA   9           HB1      ALA   9   6.290  -8.050   0.809
   37    HB2  ALA   9           HB2      ALA   9   4.985  -8.750  -0.150
   38    HB3  ALA   9           HB3      ALA   9   5.692  -9.668   1.180
   39    H    LYS  10           H        LYS  10   6.003 -11.922  -0.592
   40    HA   LYS  10           HA       LYS  10   5.202 -11.793  -3.422
   41    HB2  LYS  10           HB2      LYS  10   6.881 -13.574  -2.402
   42    HB3  LYS  10           HB3      LYS  10   5.386 -14.383  -1.950
   43    HG2  LYS  10           HG2      LYS  10   4.754 -14.727  -4.155
   44    HG3  LYS  10           HG3      LYS  10   5.829 -13.464  -4.762
   45    HD2  LYS  10           HD2      LYS  10   7.716 -14.989  -3.827
   46    HD3  LYS  10           HD3      LYS  10   6.482 -16.250  -3.880
   47    HE2  LYS  10           HE2      LYS  10   7.106 -14.514  -6.253
   48    HE3  LYS  10           HE3      LYS  10   7.993 -16.001  -5.921
   49    HZ1  LYS  10           HZ1      LYS  10   5.272 -16.578  -5.736
   50    HZ2  LYS  10           HZ2      LYS  10   6.374 -17.122  -6.898
   51    HZ3  LYS  10           HZ3      LYS  10   5.496 -15.701  -7.166
   52    H    DBB  11           H        DBB  11   3.316 -13.389  -3.893
   53    HA   DBB  11           HA       DBB  11   1.449 -14.047  -1.965
   54    HB2  DBB  11           HB       DBB  11   1.449 -14.858  -4.200
   55    HG1  DBB  11          HG21      DBB  11  -1.161 -13.550  -3.556
   56    HG2  DBB  11          HG22      DBB  11  -0.536 -15.001  -2.772
   57    HG3  DBB  11          HG23      DBB  11  -0.923 -15.023  -4.494
   58    H    CYS  12           H        CYS  12  -0.507 -13.074  -1.162
   59    HA   CYS  12           HA       CYS  12  -1.219 -10.411  -1.963
   60    HB2  CYS  12           HB2      CYS  12  -2.877 -12.162  -1.280
   61    HB3  CYS  12           HB3      CYS  12  -2.284 -12.010   0.371
   62    H    ALA  13           H        ALA  13   1.192  -9.903  -1.275
   63    HA   ALA  13           HA       ALA  13   1.032  -8.715   1.415
   64    HB1  ALA  13           HB1      ALA  13   3.487  -9.090   1.624
   65    HB2  ALA  13           HB2      ALA  13   2.530 -10.572   1.601
   66    HB3  ALA  13           HB3      ALA  13   3.412 -10.069   0.159
   67    H    ALA  14           H        ALA  14   2.297  -8.528  -1.835
   68    HA   ALA  14           HA       ALA  14   2.045  -5.748  -2.082
   69    HB1  ALA  14           HB1      ALA  14   4.677  -6.765  -1.196
   70    HB2  ALA  14           HB2      ALA  14   4.675  -5.787  -2.660
   71    H    SER  15           H        SER  15   3.610  -8.711  -3.194
   72    HA   SER  15           HA       SER  15   3.922  -7.874  -5.892
   73    HB2  SER  15           HB2      SER  15   4.084 -10.494  -4.451
   74    HB3  SER  15           HB3      SER  15   4.025 -10.486  -6.213
   75    HG   SER  15           HG       SER  15   5.999  -9.758  -6.266
   76    H    CYS  16           H        CYS  16   1.818 -10.482  -4.680
   77    HA   CYS  16           HA       CYS  16   0.062 -10.201  -6.943
   78    HB2  CYS  16           HB2      CYS  16  -0.454 -11.866  -4.482
   79    HB3  CYS  16           HB3      CYS  16  -1.069 -12.118  -6.113
   80    H    ALA  17           H        ALA  17  -2.207  -9.763  -6.816
   81    HA   ALA  17           HA       ALA  17  -2.853  -7.849  -4.679
   82    HB1  ALA  17           HB1      ALA  17  -4.017  -8.134  -7.446
   83    HB2  ALA  17           HB2      ALA  17  -4.534  -6.953  -6.242
   84    HB3  ALA  17           HB3      ALA  17  -2.898  -6.886  -6.897
   85    H    ALA  18           H        ALA  18  -3.450  -9.533  -3.233
   86    HA   ALA  18           HA       ALA  18  -5.364 -11.519  -3.637
   87    HB1  ALA  18           HB1      ALA  18  -5.887 -10.532  -1.078
   88    HB2  ALA  18           HB2      ALA  18  -4.825 -11.867  -1.514
   89    H    SER  19           H        SER  19  -6.015  -8.298  -2.217
   90    HA   SER  19           HA       SER  19  -8.828  -8.562  -2.444
   91    HB2  SER  19           HB2      SER  19  -7.002  -6.220  -1.934
   92    HB3  SER  19           HB3      SER  19  -8.748  -6.015  -2.074
   93    HG   SER  19           HG       SER  19  -7.611  -6.515   0.096
  Start of MODEL    3
    1    H1   ALA   1           H        ALA   1   1.730   2.522   0.624
    2    HA   ALA   1           HA       ALA   1   0.961  -0.304   0.776
    3    HB1  ALA   1           HB1      ALA   1  -0.299   0.206  -0.977
    4    HB2  ALA   1           HB2      ALA   1   0.409   1.820  -1.069
    5    HB3  ALA   1           HB3      ALA   1   1.172   0.472  -1.913
    6    H    CYS   2           H        CYS   2   2.090  -1.855  -0.597
    7    HA   CYS   2           HA       CYS   2   4.859  -1.849  -0.174
    8    HB2  CYS   2           HB2      CYS   2   3.397  -3.870  -0.540
    9    HB3  CYS   2           HB3      CYS   2   3.392  -3.476  -2.256
   10    H    GLY   3           H        GLY   3   6.613  -1.678  -1.627
   11    HA2  GLY   3           HA2      GLY   3   6.111   0.240  -3.782
   12    HA3  GLY   3           HA3      GLY   3   7.671  -0.116  -3.056
   13    H    DBB   4           H        DBB   4   7.447  -2.985  -3.265
   14    HA   DBB   4           HA       DBB   4   7.166  -3.427  -6.125
   15    HB2  DBB   4           HB       DBB   4   6.203  -4.964  -4.588
   16    HG1  DBB   4          HG21      DBB   4   8.412  -6.212  -6.169
   17    HG2  DBB   4          HG22      DBB   4   6.859  -5.676  -6.811
   18    HG3  DBB   4          HG23      DBB   4   6.926  -7.009  -5.656
   19    H    GLY   5           H        GLY   5   9.824  -3.931  -3.739
   20    HA2  GLY   5           HA2      GLY   5  11.808  -2.795  -5.295
   21    HA3  GLY   5           HA3      GLY   5  12.096  -4.018  -4.066
   22    H    IAS   6           H        IAS   6  12.379  -6.206  -4.650
   23    HA   IAS   6           HA       IAS   6  12.909  -6.561  -7.510
   24    HB2  IAS   6           HB2      IAS   6  14.693  -7.349  -6.086
   25    HB3  IAS   6           HB3      IAS   6  13.934  -8.726  -6.883
   26    HXT  IAS   6           HD2      IAS   6  11.018  -9.092  -8.400
   27    H    GLY   7           H        GLY   7  14.031  -6.786  -3.922
   28    HA2  GLY   7           HA2      GLY   7  13.870  -9.220  -2.319
   29    HA3  GLY   7           HA3      GLY   7  14.317  -7.621  -1.741
   30    H    CYS   8           H        CYS   8  11.512  -7.846  -3.718
   31    HA   CYS   8           HA       CYS   8   9.858  -7.070  -1.460
   32    HB2  CYS   8           HB2      CYS   8   9.889  -6.151  -3.968
   33    HB3  CYS   8           HB3      CYS   8   8.699  -7.432  -4.178
   34    H    ALA   9           H        ALA   9   7.818  -8.084  -1.000
   35    HA   ALA   9           HA       ALA   9   8.003 -10.934  -0.949
   36    HB1  ALA   9           HB1      ALA   9   5.652  -9.208  -0.185
   37    HB2  ALA   9           HB2      ALA   9   5.952 -10.876   0.307
   38    HB3  ALA   9           HB3      ALA   9   7.009  -9.584   0.878
   39    H    LYS  10           H        LYS  10   6.148 -12.334  -1.624
   40    HA   LYS  10           HA       LYS  10   5.204 -11.507  -4.287
   41    HB2  LYS  10           HB2      LYS  10   5.067 -13.922  -4.801
   42    HB3  LYS  10           HB3      LYS  10   6.699 -13.413  -4.387
   43    HG2  LYS  10           HG2      LYS  10   6.730 -15.134  -2.984
   44    HG3  LYS  10           HG3      LYS  10   5.645 -14.188  -1.963
   45    HD2  LYS  10           HD2      LYS  10   4.504 -16.193  -2.187
   46    HD3  LYS  10           HD3      LYS  10   3.773 -15.197  -3.447
   47    HE2  LYS  10           HE2      LYS  10   4.186 -17.222  -4.520
   48    HE3  LYS  10           HE3      LYS  10   5.555 -16.217  -4.995
   49    HZ1  LYS  10           HZ1      LYS  10   5.753 -18.688  -3.952
   50    HZ2  LYS  10           HZ2      LYS  10   5.978 -17.730  -2.576
   51    HZ3  LYS  10           HZ3      LYS  10   6.987 -17.531  -3.919
   52    H    DBB  11           H        DBB  11   3.219 -13.160  -4.851
   53    HA   DBB  11           HA       DBB  11   1.424 -13.838  -2.860
   54    HB2  DBB  11           HB       DBB  11   1.285 -14.550  -5.124
   55    HG1  DBB  11          HG21      DBB  11  -1.194 -13.196  -4.147
   56    HG2  DBB  11          HG22      DBB  11  -0.622 -14.805  -3.703
   57    HG3  DBB  11          HG23      DBB  11  -1.155 -14.480  -5.354
   58    H    CYS  12           H        CYS  12  -0.491 -12.833  -1.966
   59    HA   CYS  12           HA       CYS  12  -1.092 -10.097  -2.597
   60    HB2  CYS  12           HB2      CYS  12  -2.199 -11.655  -0.267
   61    HB3  CYS  12           HB3      CYS  12  -2.949 -10.324  -1.141
   62    H    ALA  13           H        ALA  13   1.368  -9.775  -1.923
   63    HA   ALA  13           HA       ALA  13   1.310  -8.729   0.830
   64    HB1  ALA  13           HB1      ALA  13   3.771  -9.227   0.927
   65    HB2  ALA  13           HB2      ALA  13   2.716 -10.641   0.927
   66    HB3  ALA  13           HB3      ALA  13   3.563 -10.174  -0.547
   67    H    ALA  14           H        ALA  14   2.516  -8.418  -2.432
   68    HA   ALA  14           HA       ALA  14   2.439  -5.605  -2.470
   69    HB1  ALA  14           HB1      ALA  14   4.921  -6.733  -1.555
   70    HB2  ALA  14           HB2      ALA  14   5.101  -6.129  -3.199
   71    H    SER  15           H        SER  15   3.711  -8.579  -3.890
   72    HA   SER  15           HA       SER  15   3.889  -7.548  -6.541
   73    HB2  SER  15           HB2      SER  15   5.219  -9.480  -5.842
   74    HB3  SER  15           HB3      SER  15   3.747 -10.411  -5.563
   75    HG   SER  15           HG       SER  15   4.453  -9.297  -8.073
   76    H    CYS  16           H        CYS  16   1.806 -10.221  -5.457
   77    HA   CYS  16           HA       CYS  16  -0.101  -9.691  -7.528
   78    HB2  CYS  16           HB2      CYS  16  -0.540 -11.498  -5.156
   79    HB3  CYS  16           HB3      CYS  16  -1.242 -11.623  -6.765
   80    H    ALA  17           H        ALA  17  -2.359  -9.226  -7.189
   81    HA   ALA  17           HA       ALA  17  -2.799  -7.493  -4.848
   82    HB1  ALA  17           HB1      ALA  17  -4.223  -7.321  -7.496
   83    HB2  ALA  17           HB2      ALA  17  -4.267  -6.158  -6.171
   84    HB3  ALA  17           HB3      ALA  17  -2.782  -6.388  -7.093
   85    H    ALA  18           H        ALA  18  -3.506  -9.278  -3.602
   86    HA   ALA  18           HA       ALA  18  -5.910 -10.719  -4.366
   87    HB1  ALA  18           HB1      ALA  18  -4.848 -10.716  -1.578
   88    HB2  ALA  18           HB2      ALA  18  -5.615 -12.003  -2.503
   89    H    SER  19           H        SER  19  -4.994  -8.180  -2.070
   90    HA   SER  19           HA       SER  19  -7.849  -7.509  -1.814
   91    HB2  SER  19           HB2      SER  19  -6.828  -8.638   0.242
   92    HB3  SER  19           HB3      SER  19  -5.871  -7.171   0.440
   93    HG   SER  19           HG       SER  19  -8.675  -7.481   0.569
  Start of MODEL    4
    1    H1   ALA   1           H        ALA   1   2.571   1.208   1.855
    2    HA   ALA   1           HA       ALA   1   0.976  -0.408  -0.018
    3    HB1  ALA   1           HB1      ALA   1   0.764   1.240  -1.522
    4    HB2  ALA   1           HB2      ALA   1   1.079   2.308  -0.154
    5    HB3  ALA   1           HB3      ALA   1   2.395   1.848  -1.233
    6    H    CYS   2           H        CYS   2   2.137  -1.477  -1.651
    7    HA   CYS   2           HA       CYS   2   4.980  -1.838  -1.024
    8    HB2  CYS   2           HB2      CYS   2   3.390  -3.812  -1.038
    9    HB3  CYS   2           HB3      CYS   2   3.263  -3.593  -2.780
   10    H    GLY   3           H        GLY   3   6.532  -2.002  -2.740
   11    HA2  GLY   3           HA2      GLY   3   5.755  -0.394  -5.092
   12    HA3  GLY   3           HA3      GLY   3   7.362  -0.399  -4.379
   13    H    DBB   4           H        DBB   4   7.215  -3.377  -4.042
   14    HA   DBB   4           HA       DBB   4   7.186  -4.241  -6.819
   15    HB2  DBB   4           HB       DBB   4   6.103  -5.555  -5.161
   16    HG1  DBB   4          HG21      DBB   4   8.451  -6.920  -6.410
   17    HG2  DBB   4          HG22      DBB   4   6.885  -6.611  -7.162
   18    HG3  DBB   4          HG23      DBB   4   7.010  -7.738  -5.809
   19    H    GLY   5           H        GLY   5   9.626  -4.364  -4.163
   20    HA2  GLY   5           HA2      GLY   5  11.734  -3.411  -5.679
   21    HA3  GLY   5           HA3      GLY   5  11.919  -4.452  -4.276
   22    H    IAS   6           H        IAS   6  12.259  -6.696  -4.532
   23    HA   IAS   6           HA       IAS   6  13.053  -7.420  -7.257
   24    HB2  IAS   6           HB2      IAS   6  14.693  -7.993  -5.581
   25    HB3  IAS   6           HB3      IAS   6  14.010  -9.473  -6.253
   26    HXT  IAS   6           HD2      IAS   6  12.289 -10.182  -7.589
   27    H    GLY   7           H        GLY   7  13.862  -7.160  -3.579
   28    HA2  GLY   7           HA2      GLY   7  13.494  -9.369  -1.699
   29    HA3  GLY   7           HA3      GLY   7  13.963  -7.725  -1.291
   30    H    CYS   8           H        CYS   8  11.277  -8.323  -3.416
   31    HA   CYS   8           HA       CYS   8   9.495  -7.108  -1.453
   32    HB2  CYS   8           HB2      CYS   8   9.726  -6.577  -4.048
   33    HB3  CYS   8           HB3      CYS   8   8.558  -7.888  -4.176
   34    H    ALA   9           H        ALA   9   7.664  -8.070  -0.642
   35    HA   ALA   9           HA       ALA   9   7.697 -10.868  -0.301
   36    HB1  ALA   9           HB1      ALA   9   5.277  -9.152   0.159
   37    HB2  ALA   9           HB2      ALA   9   5.784 -10.602   1.027
   38    HB3  ALA   9           HB3      ALA   9   6.679  -9.096   1.227
   39    H    LYS  10           H        LYS  10   5.751 -12.271  -0.769
   40    HA   LYS  10           HA       LYS  10   4.854 -11.797  -3.535
   41    HB2  LYS  10           HB2      LYS  10   5.364 -14.402  -2.089
   42    HB3  LYS  10           HB3      LYS  10   4.657 -14.281  -3.694
   43    HG2  LYS  10           HG2      LYS  10   7.268 -12.952  -3.219
   44    HG3  LYS  10           HG3      LYS  10   7.233 -14.713  -3.334
   45    HD2  LYS  10           HD2      LYS  10   6.377 -14.658  -5.525
   46    HD3  LYS  10           HD3      LYS  10   5.928 -12.955  -5.394
   47    HE2  LYS  10           HE2      LYS  10   8.122 -12.231  -5.624
   48    HE3  LYS  10           HE3      LYS  10   8.791 -13.788  -5.139
   49    HZ1  LYS  10           HZ1      LYS  10   7.600 -13.032  -7.735
   50    HZ2  LYS  10           HZ2      LYS  10   7.752 -14.653  -7.276
   51    HZ3  LYS  10           HZ3      LYS  10   9.130 -13.684  -7.426
   52    H    DBB  11           H        DBB  11   2.865 -13.542  -3.859
   53    HA   DBB  11           HA       DBB  11   1.067 -13.894  -1.784
   54    HB2  DBB  11           HB       DBB  11   0.936 -14.970  -3.899
   55    HG1  DBB  11          HG21      DBB  11  -1.559 -13.478  -3.201
   56    HG2  DBB  11          HG22      DBB  11  -0.977 -14.961  -2.442
   57    HG3  DBB  11          HG23      DBB  11  -1.492 -14.974  -4.130
   58    H    CYS  12           H        CYS  12  -0.882 -12.767  -1.107
   59    HA   CYS  12           HA       CYS  12  -1.452 -10.159  -2.168
   60    HB2  CYS  12           HB2      CYS  12  -2.618 -11.357   0.343
   61    HB3  CYS  12           HB3      CYS  12  -3.335 -10.147  -0.716
   62    H    ALA  13           H        ALA  13   0.993  -9.741  -1.497
   63    HA   ALA  13           HA       ALA  13   0.872  -8.254   1.041
   64    HB1  ALA  13           HB1      ALA  13   3.273  -9.773   0.029
   65    HB2  ALA  13           HB2      ALA  13   3.178  -8.829   1.517
   66    HB3  ALA  13           HB3      ALA  13   2.212 -10.294   1.339
   67    H    ALA  14           H        ALA  14   2.213  -8.544  -2.170
   68    HA   ALA  14           HA       ALA  14   2.233  -5.767  -2.676
   69    HB1  ALA  14           HB1      ALA  14   4.597  -6.699  -1.444
   70    HB2  ALA  14           HB2      ALA  14   4.901  -6.665  -3.178
   71    H    SER  15           H        SER  15   3.433  -8.971  -3.572
   72    HA   SER  15           HA       SER  15   3.666  -8.393  -6.351
   73    HB2  SER  15           HB2      SER  15   4.931 -10.222  -5.335
   74    HB3  SER  15           HB3      SER  15   3.431 -11.050  -4.916
   75    HG   SER  15           HG       SER  15   4.518 -10.573  -7.484
   76    H    CYS  16           H        CYS  16   1.497 -10.806  -4.896
   77    HA   CYS  16           HA       CYS  16  -0.374 -10.544  -7.051
   78    HB2  CYS  16           HB2      CYS  16  -0.887 -11.974  -4.449
   79    HB3  CYS  16           HB3      CYS  16  -1.566 -12.320  -6.036
   80    H    ALA  17           H        ALA  17  -2.589  -9.922  -6.860
   81    HA   ALA  17           HA       ALA  17  -3.021  -7.882  -4.779
   82    HB1  ALA  17           HB1      ALA  17  -2.953  -6.966  -7.030
   83    HB2  ALA  17           HB2      ALA  17  -4.229  -8.074  -7.536
   84    HB3  ALA  17           HB3      ALA  17  -4.573  -6.816  -6.348
   85    H    ALA  18           H        ALA  18  -3.801  -9.458  -3.311
   86    HA   ALA  18           HA       ALA  18  -6.245 -10.912  -3.913
   87    HB1  ALA  18           HB1      ALA  18  -5.238 -10.579  -1.129
   88    HB2  ALA  18           HB2      ALA  18  -5.999 -11.962  -1.909
   89    H    SER  19           H        SER  19  -5.260  -8.022  -2.164
   90    HA   SER  19           HA       SER  19  -7.887  -7.542  -1.087
   91    HB2  SER  19           HB2      SER  19  -6.276  -6.630   0.302
   92    HB3  SER  19           HB3      SER  19  -5.264  -6.102  -1.042
   93    HG   SER  19           HG       SER  19  -7.529  -4.883   0.074
  Start of MODEL    5
    1    H1   ALA   1           H        ALA   1   2.233   0.466  -4.462
    2    HA   ALA   1           HA       ALA   1   2.343   1.582  -2.107
    3    HB1  ALA   1           HB1      ALA   1   1.093  -0.981  -2.904
    4    HB2  ALA   1           HB2      ALA   1   1.125  -0.600  -1.182
    5    HB3  ALA   1           HB3      ALA   1   0.355   0.509  -2.316
    6    H    CYS   2           H        CYS   2   3.264  -1.865  -2.214
    7    HA   CYS   2           HA       CYS   2   4.571  -1.785   0.297
    8    HB2  CYS   2           HB2      CYS   2   5.222  -4.039  -0.138
    9    HB3  CYS   2           HB3      CYS   2   3.613  -3.834  -0.822
   10    H    GLY   3           H        GLY   3   5.584  -1.052  -2.927
   11    HA2  GLY   3           HA2      GLY   3   7.580   0.413  -3.025
   12    HA3  GLY   3           HA3      GLY   3   8.354  -0.736  -1.943
   13    H    DBB   4           H        DBB   4   7.755  -3.150  -3.053
   14    HA   DBB   4           HA       DBB   4   8.345  -3.030  -5.876
   15    HB2  DBB   4           HB       DBB   4   6.805  -4.615  -5.000
   16    HG1  DBB   4          HG21      DBB   4   9.205  -5.933  -6.202
   17    HG2  DBB   4          HG22      DBB   4   7.965  -5.040  -7.083
   18    HG3  DBB   4          HG23      DBB   4   7.553  -6.545  -6.257
   19    H    GLY   5           H        GLY   5  10.312  -3.398  -6.914
   20    HA2  GLY   5           HA2      GLY   5  12.693  -3.099  -6.716
   21    HA3  GLY   5           HA3      GLY   5  12.615  -3.875  -5.141
   22    H    IAS   6           H        IAS   6  13.383  -5.909  -5.049
   23    HA   IAS   6           HA       IAS   6  13.637  -7.382  -7.551
   24    HB2  IAS   6           HB2      IAS   6  15.538  -7.537  -6.074
   25    HB3  IAS   6           HB3      IAS   6  14.777  -9.121  -6.202
   26    HXT  IAS   6           HD2      IAS   6  13.260  -9.705  -7.381
   27    H    GLY   7           H        GLY   7  13.073  -9.428  -4.370
   28    HA2  GLY   7           HA2      GLY   7  13.789  -9.997  -2.017
   29    HA3  GLY   7           HA3      GLY   7  14.126  -8.279  -1.861
   30    H    CYS   8           H        CYS   8  11.719  -7.638  -3.515
   31    HA   CYS   8           HA       CYS   8   9.915  -7.074  -1.505
   32    HB2  CYS   8           HB2      CYS   8  10.013  -6.247  -3.965
   33    HB3  CYS   8           HB3      CYS   8   8.976  -7.628  -4.305
   34    H    ALA   9           H        ALA   9   7.756  -7.925  -1.107
   35    HA   ALA   9           HA       ALA   9   7.808 -10.818  -0.925
   36    HB1  ALA   9           HB1      ALA   9   5.756  -8.857   0.096
   37    HB2  ALA   9           HB2      ALA   9   5.853 -10.572   0.498
   38    HB3  ALA   9           HB3      ALA   9   7.133  -9.473   1.011
   39    H    LYS  10           H        LYS  10   6.021 -12.155  -1.586
   40    HA   LYS  10           HA       LYS  10   4.720 -11.135  -4.021
   41    HB2  LYS  10           HB2      LYS  10   5.227 -14.009  -3.230
   42    HB3  LYS  10           HB3      LYS  10   4.585 -13.445  -4.768
   43    HG2  LYS  10           HG2      LYS  10   6.783 -12.166  -5.012
   44    HG3  LYS  10           HG3      LYS  10   7.369 -13.178  -3.690
   45    HD2  LYS  10           HD2      LYS  10   6.038 -14.494  -6.006
   46    HD3  LYS  10           HD3      LYS  10   7.683 -13.890  -6.213
   47    HE2  LYS  10           HE2      LYS  10   8.564 -15.375  -4.698
   48    HE3  LYS  10           HE3      LYS  10   7.049 -15.532  -3.810
   49    HZ1  LYS  10           HZ1      LYS  10   6.337 -17.173  -5.145
   50    HZ2  LYS  10           HZ2      LYS  10   7.980 -17.378  -5.488
   51    HZ3  LYS  10           HZ3      LYS  10   7.000 -16.494  -6.546
   52    H    DBB  11           H        DBB  11   2.739 -12.957  -4.394
   53    HA   DBB  11           HA       DBB  11   1.216 -13.618  -2.165
   54    HB2  DBB  11           HB       DBB  11   0.886 -14.501  -4.347
   55    HG1  DBB  11          HG21      DBB  11  -0.836 -14.654  -2.648
   56    HG2  DBB  11          HG22      DBB  11  -1.513 -14.685  -4.277
   57    HG3  DBB  11          HG23      DBB  11  -1.610 -13.214  -3.307
   58    H    CYS  12           H        CYS  12  -0.688 -12.658  -1.173
   59    HA   CYS  12           HA       CYS  12  -1.481  -9.998  -1.907
   60    HB2  CYS  12           HB2      CYS  12  -2.299 -11.443   0.607
   61    HB3  CYS  12           HB3      CYS  12  -3.194 -10.220  -0.289
   62    H    ALA  13           H        ALA  13   1.010  -9.523  -1.478
   63    HA   ALA  13           HA       ALA  13   1.116  -8.252   1.174
   64    HB1  ALA  13           HB1      ALA  13   2.549 -10.142   1.367
   65    HB2  ALA  13           HB2      ALA  13   3.316  -9.795  -0.184
   66    HB3  ALA  13           HB3      ALA  13   3.578  -8.720   1.190
   67    H    ALA  14           H        ALA  14   2.127  -8.254  -2.167
   68    HA   ALA  14           HA       ALA  14   2.046  -5.437  -2.429
   69    HB1  ALA  14           HB1      ALA  14   4.492  -6.248  -1.474
   70    HB2  ALA  14           HB2      ALA  14   4.670  -6.441  -3.215
   71    H    SER  15           H        SER  15   3.278  -8.481  -3.784
   72    HA   SER  15           HA       SER  15   3.098  -7.663  -6.491
   73    HB2  SER  15           HB2      SER  15   4.528  -9.525  -5.844
   74    HB3  SER  15           HB3      SER  15   3.129 -10.437  -5.277
   75    HG   SER  15           HG       SER  15   2.968 -11.141  -7.239
   76    H    CYS  16           H        CYS  16   1.178 -10.250  -4.979
   77    HA   CYS  16           HA       CYS  16  -0.961  -9.848  -6.857
   78    HB2  CYS  16           HB2      CYS  16  -1.112 -11.566  -4.389
   79    HB3  CYS  16           HB3      CYS  16  -1.951 -11.776  -5.922
   80    H    ALA  17           H        ALA  17  -3.168  -9.395  -6.275
   81    HA   ALA  17           HA       ALA  17  -3.368  -7.610  -3.937
   82    HB1  ALA  17           HB1      ALA  17  -3.914  -6.087  -5.481
   83    HB2  ALA  17           HB2      ALA  17  -4.211  -7.311  -6.716
   84    HB3  ALA  17           HB3      ALA  17  -5.470  -6.915  -5.546
   85    H    ALA  18           H        ALA  18  -3.947  -9.364  -2.593
   86    HA   ALA  18           HA       ALA  18  -6.432 -10.797  -3.091
   87    HB1  ALA  18           HB1      ALA  18  -5.174 -10.881  -0.417
   88    HB2  ALA  18           HB2      ALA  18  -5.863 -12.169  -1.399
   89    H    SER  19           H        SER  19  -8.260  -9.735  -2.834
   90    HA   SER  19           HA       SER  19  -8.457  -7.479  -1.038
   91    HB2  SER  19           HB2      SER  19 -10.590  -7.070  -2.028
   92    HB3  SER  19           HB3      SER  19  -9.528  -7.586  -3.338
   93    HG   SER  19           HG       SER  19 -11.467  -8.699  -3.491
  Start of MODEL    6
    1    H1   ALA   1           H        ALA   1   3.776   2.874  -1.562
    2    HA   ALA   1           HA       ALA   1   2.896   0.785   0.304
    3    HB1  ALA   1           HB1      ALA   1   0.844   1.203  -0.645
    4    HB2  ALA   1           HB2      ALA   1   1.535   1.656  -2.203
    5    HB3  ALA   1           HB3      ALA   1   1.472  -0.041  -1.726
    6    H    CYS   2           H        CYS   2   2.885  -1.411  -1.036
    7    HA   CYS   2           HA       CYS   2   5.578  -1.932  -1.690
    8    HB2  CYS   2           HB2      CYS   2   3.502  -3.486  -0.950
    9    HB3  CYS   2           HB3      CYS   2   3.512  -3.813  -2.680
   10    H    GLY   3           H        GLY   3   6.344  -2.879  -3.748
   11    HA2  GLY   3           HA2      GLY   3   4.973  -2.542  -6.184
   12    HA3  GLY   3           HA3      GLY   3   5.964  -1.120  -5.894
   13    H    DBB   4           H        DBB   4   6.357  -4.659  -5.561
   14    HA   DBB   4           HA       DBB   4   8.226  -4.925  -7.585
   15    HB2  DBB   4           HB       DBB   4   7.070  -6.726  -6.550
   16    HG1  DBB   4          HG21      DBB   4  10.025  -7.129  -6.348
   17    HG2  DBB   4          HG22      DBB   4   9.115  -7.074  -7.858
   18    HG3  DBB   4          HG23      DBB   4   8.812  -8.361  -6.689
   19    H    GLY   5           H        GLY   5   9.058  -4.578  -4.088
   20    HA2  GLY   5           HA2      GLY   5  11.070  -2.722  -4.436
   21    HA3  GLY   5           HA3      GLY   5  11.013  -3.872  -3.108
   22    H    IAS   6           H        IAS   6  12.237  -5.811  -3.195
   23    HA   IAS   6           HA       IAS   6  14.357  -5.703  -5.219
   24    HB2  IAS   6           HB2      IAS   6  15.191  -5.966  -2.968
   25    HB3  IAS   6           HB3      IAS   6  15.502  -7.442  -3.880
   26    HXT  IAS   6           HD2      IAS   6  12.653  -7.775  -7.201
   27    H    GLY   7           H        GLY   7  13.376  -5.845  -1.554
   28    HA2  GLY   7           HA2      GLY   7  13.002  -8.419  -0.184
   29    HA3  GLY   7           HA3      GLY   7  12.816  -6.833   0.549
   30    H    CYS   8           H        CYS   8  11.451  -7.921  -2.521
   31    HA   CYS   8           HA       CYS   8   8.806  -7.169  -1.572
   32    HB2  CYS   8           HB2      CYS   8   9.857  -6.612  -3.891
   33    HB3  CYS   8           HB3      CYS   8   9.382  -8.254  -4.311
   34    H    ALA   9           H        ALA   9   7.160  -8.542  -1.165
   35    HA   ALA   9           HA       ALA   9   7.795 -11.380  -1.047
   36    HB1  ALA   9           HB1      ALA   9   5.635  -9.673   0.129
   37    HB2  ALA   9           HB2      ALA   9   5.482 -11.430   0.095
   38    HB3  ALA   9           HB3      ALA   9   6.832 -10.678   0.946
   39    H    LYS  10           H        LYS  10   5.639 -12.768  -1.426
   40    HA   LYS  10           HA       LYS  10   4.726 -12.094  -4.145
   41    HB2  LYS  10           HB2      LYS  10   6.203 -14.228  -3.561
   42    HB3  LYS  10           HB3      LYS  10   4.632 -14.900  -3.145
   43    HG2  LYS  10           HG2      LYS  10   3.847 -14.743  -5.327
   44    HG3  LYS  10           HG3      LYS  10   5.080 -13.566  -5.786
   45    HD2  LYS  10           HD2      LYS  10   5.889 -16.312  -4.922
   46    HD3  LYS  10           HD3      LYS  10   5.294 -16.046  -6.562
   47    HE2  LYS  10           HE2      LYS  10   7.604 -14.600  -5.269
   48    HE3  LYS  10           HE3      LYS  10   7.739 -15.909  -6.442
   49    HZ1  LYS  10           HZ1      LYS  10   7.951 -14.052  -7.753
   50    HZ2  LYS  10           HZ2      LYS  10   6.850 -13.136  -6.854
   51    HZ3  LYS  10           HZ3      LYS  10   6.292 -14.351  -7.890
   52    H    DBB  11           H        DBB  11   2.598 -13.261  -4.701
   53    HA   DBB  11           HA       DBB  11   0.815 -13.962  -2.658
   54    HB2  DBB  11           HB       DBB  11   0.567 -14.590  -4.937
   55    HG1  DBB  11          HG21      DBB  11  -1.815 -14.456  -5.069
   56    HG2  DBB  11          HG22      DBB  11  -1.828 -13.058  -3.992
   57    HG3  DBB  11          HG23      DBB  11  -1.317 -14.636  -3.387
   58    H    CYS  12           H        CYS  12  -0.866 -12.842  -1.553
   59    HA   CYS  12           HA       CYS  12  -1.407 -10.085  -2.147
   60    HB2  CYS  12           HB2      CYS  12  -2.325 -11.563   0.314
   61    HB3  CYS  12           HB3      CYS  12  -3.112 -10.221  -0.511
   62    H    ALA  13           H        ALA  13   1.121  -9.865  -1.744
   63    HA   ALA  13           HA       ALA  13   1.404  -8.796   0.986
   64    HB1  ALA  13           HB1      ALA  13   3.559 -10.188  -0.600
   65    HB2  ALA  13           HB2      ALA  13   3.743  -9.469   1.001
   66    HB3  ALA  13           HB3      ALA  13   2.692 -10.868   0.778
   67    H    ALA  14           H        ALA  14   2.274  -8.568  -2.388
   68    HA   ALA  14           HA       ALA  14   2.299  -5.761  -2.474
   69    HB1  ALA  14           HB1      ALA  14   4.860  -7.055  -1.903
   70    HB2  ALA  14           HB2      ALA  14   4.831  -6.200  -3.442
   71    H    SER  15           H        SER  15   3.604  -8.701  -3.997
   72    HA   SER  15           HA       SER  15   3.518  -7.753  -6.643
   73    HB2  SER  15           HB2      SER  15   3.603 -10.166  -7.274
   74    HB3  SER  15           HB3      SER  15   4.817  -9.721  -6.076
   75    HG   SER  15           HG       SER  15   3.429 -10.583  -4.471
   76    H    CYS  16           H        CYS  16   1.329 -10.160  -5.174
   77    HA   CYS  16           HA       CYS  16  -0.687  -9.580  -7.172
   78    HB2  CYS  16           HB2      CYS  16  -1.045 -11.411  -4.810
   79    HB3  CYS  16           HB3      CYS  16  -1.823 -11.489  -6.388
   80    H    ALA  17           H        ALA  17  -2.926  -9.122  -6.566
   81    HA   ALA  17           HA       ALA  17  -3.075  -7.412  -4.168
   82    HB1  ALA  17           HB1      ALA  17  -4.662  -6.011  -5.347
   83    HB2  ALA  17           HB2      ALA  17  -3.169  -6.147  -6.276
   84    HB3  ALA  17           HB3      ALA  17  -4.591  -7.074  -6.753
   85    H    ALA  18           H        ALA  18  -3.783  -9.193  -2.929
   86    HA   ALA  18           HA       ALA  18  -6.256 -10.556  -3.560
   87    HB1  ALA  18           HB1      ALA  18  -5.050 -10.500  -0.821
   88    HB2  ALA  18           HB2      ALA  18  -5.955 -11.772  -1.634
   89    H    SER  19           H        SER  19  -5.225  -7.992  -1.339
   90    HA   SER  19           HA       SER  19  -8.020  -7.134  -1.146
   91    HB2  SER  19           HB2      SER  19  -6.199  -7.833   1.135
   92    HB3  SER  19           HB3      SER  19  -7.435  -6.592   1.345
   93    HG   SER  19           HG       SER  19  -7.976  -8.905   1.830
  Start of MODEL    7
    1    H1   ALA   1           H        ALA   1   0.556  -1.240   0.691
    2    HA   ALA   1           HA       ALA   1   1.336  -3.957  -0.047
    3    HB1  ALA   1           HB1      ALA   1   0.314  -1.903  -1.996
    4    HB2  ALA   1           HB2      ALA   1   1.242  -3.325  -2.475
    5    HB3  ALA   1           HB3      ALA   1  -0.325  -3.519  -1.690
    6    H    CYS   2           H        CYS   2   3.205  -3.769  -1.754
    7    HA   CYS   2           HA       CYS   2   5.084  -1.774  -0.692
    8    HB2  CYS   2           HB2      CYS   2   5.833  -4.249  -2.240
    9    HB3  CYS   2           HB3      CYS   2   6.851  -3.273  -1.186
   10    H    GLY   3           H        GLY   3   4.341  -3.465  -3.747
   11    HA2  GLY   3           HA2      GLY   3   3.880  -2.204  -5.756
   12    HA3  GLY   3           HA3      GLY   3   4.960  -0.952  -5.159
   13    H    DBB   4           H        DBB   4   6.121  -4.111  -4.652
   14    HA   DBB   4           HA       DBB   4   7.476  -4.178  -7.222
   15    HB2  DBB   4           HB       DBB   4   6.478  -6.153  -6.354
   16    HG1  DBB   4          HG21      DBB   4   8.386  -7.681  -6.692
   17    HG2  DBB   4          HG22      DBB   4   9.456  -6.280  -6.623
   18    HG3  DBB   4          HG23      DBB   4   8.247  -6.408  -7.902
   19    H    GLY   5           H        GLY   5   9.733  -3.983  -7.572
   20    HA2  GLY   5           HA2      GLY   5  11.562  -2.520  -6.883
   21    HA3  GLY   5           HA3      GLY   5  11.247  -3.018  -5.227
   22    H    IAS   6           H        IAS   6  11.268  -5.637  -5.074
   23    HA   IAS   6           HA       IAS   6  13.401  -6.654  -6.783
   24    HB2  IAS   6           HB2      IAS   6  14.676  -5.936  -4.863
   25    HB3  IAS   6           HB3      IAS   6  14.608  -7.698  -4.889
   26    HXT  IAS   6           HD2      IAS   6  10.596  -8.205  -6.989
   27    H    GLY   7           H        GLY   7  13.750  -8.700  -3.114
   28    HA2  GLY   7           HA2      GLY   7  13.179  -8.927  -0.897
   29    HA3  GLY   7           HA3      GLY   7  13.501  -7.210  -0.706
   30    H    CYS   8           H        CYS   8  11.289  -7.799  -3.179
   31    HA   CYS   8           HA       CYS   8   9.137  -6.712  -1.572
   32    HB2  CYS   8           HB2      CYS   8   9.408  -5.773  -3.766
   33    HB3  CYS   8           HB3      CYS   8   9.365  -7.368  -4.512
   34    H    ALA   9           H        ALA   9   7.681  -7.910  -0.558
   35    HA   ALA   9           HA       ALA   9   7.611 -10.662  -0.477
   36    HB1  ALA   9           HB1      ALA   9   5.137  -9.011  -0.076
   37    HB2  ALA   9           HB2      ALA   9   5.627 -10.488   0.756
   38    HB3  ALA   9           HB3      ALA   9   6.479  -8.975   1.069
   39    H    LYS  10           H        LYS  10   5.820 -12.119  -1.158
   40    HA   LYS  10           HA       LYS  10   5.038 -11.519  -3.933
   41    HB2  LYS  10           HB2      LYS  10   6.569 -13.562  -3.192
   42    HB3  LYS  10           HB3      LYS  10   5.007 -14.306  -2.872
   43    HG2  LYS  10           HG2      LYS  10   4.383 -14.262  -5.102
   44    HG3  LYS  10           HG3      LYS  10   5.553 -13.003  -5.507
   45    HD2  LYS  10           HD2      LYS  10   6.549 -14.887  -6.402
   46    HD3  LYS  10           HD3      LYS  10   7.312 -14.794  -4.813
   47    HE2  LYS  10           HE2      LYS  10   5.685 -16.421  -3.954
   48    HE3  LYS  10           HE3      LYS  10   4.955 -16.525  -5.555
   49    HZ1  LYS  10           HZ1      LYS  10   7.776 -16.970  -5.623
   50    HZ2  LYS  10           HZ2      LYS  10   6.521 -17.929  -6.228
   51    HZ3  LYS  10           HZ3      LYS  10   6.992 -18.075  -4.609
   52    H    DBB  11           H        DBB  11   3.029 -12.863  -4.610
   53    HA   DBB  11           HA       DBB  11   1.119 -13.655  -2.773
   54    HB2  DBB  11           HB       DBB  11   1.050 -14.123  -5.103
   55    HG1  DBB  11          HG21      DBB  11  -1.420 -12.746  -4.131
   56    HG2  DBB  11          HG22      DBB  11  -0.930 -14.399  -3.759
   57    HG3  DBB  11          HG23      DBB  11  -1.360 -13.955  -5.413
   58    H    CYS  12           H        CYS  12  -0.824 -12.652  -1.902
   59    HA   CYS  12           HA       CYS  12  -1.236  -9.831  -2.242
   60    HB2  CYS  12           HB2      CYS  12  -2.575 -11.576  -0.180
   61    HB3  CYS  12           HB3      CYS  12  -3.194 -10.111  -0.935
   62    H    ALA  13           H        ALA  13   1.190  -9.744  -1.387
   63    HA   ALA  13           HA       ALA  13   1.000  -8.995   1.455
   64    HB1  ALA  13           HB1      ALA  13   2.265 -11.039   1.353
   65    HB2  ALA  13           HB2      ALA  13   3.311 -10.375   0.096
   66    HB3  ALA  13           HB3      ALA  13   3.358  -9.706   1.727
   67    H    ALA  14           H        ALA  14   2.445  -8.427  -1.670
   68    HA   ALA  14           HA       ALA  14   2.553  -5.629  -1.404
   69    HB1  ALA  14           HB1      ALA  14   4.949  -7.100  -0.606
   70    HB2  ALA  14           HB2      ALA  14   5.194  -6.086  -2.025
   71    H    SER  15           H        SER  15   3.715  -8.524  -3.059
   72    HA   SER  15           HA       SER  15   4.150  -7.236  -5.565
   73    HB2  SER  15           HB2      SER  15   5.346  -9.260  -5.178
   74    HB3  SER  15           HB3      SER  15   3.871 -10.135  -4.765
   75    HG   SER  15           HG       SER  15   4.680 -10.525  -6.925
   76    H    CYS  16           H        CYS  16   1.832  -9.856  -4.930
   77    HA   CYS  16           HA       CYS  16   0.114  -8.975  -7.041
   78    HB2  CYS  16           HB2      CYS  16  -0.599 -10.978  -4.902
   79    HB3  CYS  16           HB3      CYS  16  -1.217 -10.879  -6.547
   80    H    ALA  17           H        ALA  17  -2.179  -8.477  -6.756
   81    HA   ALA  17           HA       ALA  17  -2.647  -6.918  -4.297
   82    HB1  ALA  17           HB1      ALA  17  -4.096  -5.464  -5.637
   83    HB2  ALA  17           HB2      ALA  17  -2.445  -5.497  -6.259
   84    HB3  ALA  17           HB3      ALA  17  -3.713  -6.414  -7.073
   85    H    ALA  18           H        ALA  18  -3.535  -8.765  -3.280
   86    HA   ALA  18           HA       ALA  18  -5.983  -9.944  -4.321
   87    HB1  ALA  18           HB1      ALA  18  -5.089 -10.354  -1.509
   88    HB2  ALA  18           HB2      ALA  18  -5.853 -11.469  -2.638
   89    H    SER  19           H        SER  19  -4.999  -7.682  -1.796
   90    HA   SER  19           HA       SER  19  -7.662  -7.367  -0.765
   91    HB2  SER  19           HB2      SER  19  -5.204  -5.657  -0.314
   92    HB3  SER  19           HB3      SER  19  -6.691  -5.605   0.633
   93    HG   SER  19           HG       SER  19  -6.260  -7.858   1.130
  Start of MODEL    8
    1    H1   ALA   1           H        ALA   1  -0.096   0.439   0.081
    2    HA   ALA   1           HA       ALA   1   1.068   0.139  -2.529
    3    HB1  ALA   1           HB1      ALA   1   2.510   1.826  -0.622
    4    HB2  ALA   1           HB2      ALA   1   1.859   2.211  -2.216
    5    HB3  ALA   1           HB3      ALA   1   0.804   2.236  -0.802
    6    H    CYS   2           H        CYS   2   3.242  -0.370  -3.001
    7    HA   CYS   2           HA       CYS   2   4.935  -1.456  -0.920
    8    HB2  CYS   2           HB2      CYS   2   3.315  -3.298  -1.695
    9    HB3  CYS   2           HB3      CYS   2   4.216  -3.279  -3.208
   10    H    GLY   3           H        GLY   3   7.019  -1.094  -1.380
   11    HA2  GLY   3           HA2      GLY   3   7.825   0.427  -3.569
   12    HA3  GLY   3           HA3      GLY   3   8.908  -0.495  -2.537
   13    H    DBB   4           H        DBB   4   7.464  -3.023  -3.286
   14    HA   DBB   4           HA       DBB   4   7.564  -3.441  -6.026
   15    HB2  DBB   4           HB       DBB   4   6.563  -4.921  -4.459
   16    HG1  DBB   4          HG21      DBB   4   8.644  -6.307  -6.099
   17    HG2  DBB   4          HG22      DBB   4   7.119  -5.661  -6.707
   18    HG3  DBB   4          HG23      DBB   4   7.116  -6.998  -5.555
   19    H    GLY   5           H        GLY   5  10.265  -4.093  -3.726
   20    HA2  GLY   5           HA2      GLY   5  12.259  -3.077  -5.348
   21    HA3  GLY   5           HA3      GLY   5  12.516  -4.313  -4.126
   22    H    IAS   6           H        IAS   6  12.646  -6.516  -4.713
   23    HA   IAS   6           HA       IAS   6  13.061  -6.901  -7.588
   24    HB2  IAS   6           HB2      IAS   6  14.846  -7.787  -6.224
   25    HB3  IAS   6           HB3      IAS   6  13.986  -9.120  -6.992
   26    HXT  IAS   6           HD2      IAS   6  10.322  -7.738  -8.445
   27    H    GLY   7           H        GLY   7  14.293  -7.190  -4.040
   28    HA2  GLY   7           HA2      GLY   7  14.065  -9.609  -2.426
   29    HA3  GLY   7           HA3      GLY   7  14.594  -8.030  -1.866
   30    H    CYS   8           H        CYS   8  11.744  -8.053  -3.757
   31    HA   CYS   8           HA       CYS   8  10.186  -7.242  -1.450
   32    HB2  CYS   8           HB2      CYS   8  10.192  -6.316  -3.960
   33    HB3  CYS   8           HB3      CYS   8   8.929  -7.531  -4.132
   34    H    ALA   9           H        ALA   9   7.903  -8.083  -1.269
   35    HA   ALA   9           HA       ALA   9   8.008 -10.994  -1.237
   36    HB1  ALA   9           HB1      ALA   9   6.081  -9.029  -0.012
   37    HB2  ALA   9           HB2      ALA   9   5.914 -10.781   0.108
   38    HB3  ALA   9           HB3      ALA   9   7.318  -9.979   0.812
   39    H    LYS  10           H        LYS  10   6.289 -12.305  -2.045
   40    HA   LYS  10           HA       LYS  10   4.982 -11.119  -4.395
   41    HB2  LYS  10           HB2      LYS  10   4.787 -13.440  -5.218
   42    HB3  LYS  10           HB3      LYS  10   6.456 -12.974  -4.919
   43    HG2  LYS  10           HG2      LYS  10   6.665 -14.370  -3.105
   44    HG3  LYS  10           HG3      LYS  10   4.929 -14.390  -2.785
   45    HD2  LYS  10           HD2      LYS  10   4.521 -16.004  -4.356
   46    HD3  LYS  10           HD3      LYS  10   5.899 -15.536  -5.354
   47    HE2  LYS  10           HE2      LYS  10   6.182 -16.847  -2.659
   48    HE3  LYS  10           HE3      LYS  10   6.095 -17.756  -4.167
   49    HZ1  LYS  10           HZ1      LYS  10   8.293 -17.500  -4.220
   50    HZ2  LYS  10           HZ2      LYS  10   8.288 -16.282  -3.046
   51    HZ3  LYS  10           HZ3      LYS  10   8.000 -15.895  -4.668
   52    H    DBB  11           H        DBB  11   2.961 -12.778  -4.934
   53    HA   DBB  11           HA       DBB  11   1.415 -13.664  -2.801
   54    HB2  DBB  11           HB       DBB  11   1.062 -14.259  -5.075
   55    HG1  DBB  11          HG21      DBB  11  -1.414 -13.020  -3.950
   56    HG2  DBB  11          HG22      DBB  11  -0.684 -14.512  -3.356
   57    HG3  DBB  11          HG23      DBB  11  -1.314 -14.431  -5.003
   58    H    CYS  12           H        CYS  12  -0.447 -12.777  -1.679
   59    HA   CYS  12           HA       CYS  12  -1.162 -10.022  -2.080
   60    HB2  CYS  12           HB2      CYS  12  -2.032 -11.730   0.243
   61    HB3  CYS  12           HB3      CYS  12  -2.892 -10.394  -0.516
   62    H    ALA  13           H        ALA  13   1.347  -9.692  -1.595
   63    HA   ALA  13           HA       ALA  13   1.495  -8.800   1.208
   64    HB1  ALA  13           HB1      ALA  13   2.890 -10.801   0.880
   65    HB2  ALA  13           HB2      ALA  13   3.787  -9.952  -0.380
   66    HB3  ALA  13           HB3      ALA  13   3.846  -9.376   1.286
   67    H    ALA  14           H        ALA  14   2.447  -8.309  -2.114
   68    HA   ALA  14           HA       ALA  14   2.358  -5.496  -1.991
   69    HB1  ALA  14           HB1      ALA  14   4.878  -6.594  -1.271
   70    HB2  ALA  14           HB2      ALA  14   4.970  -6.078  -2.952
   71    H    SER  15           H        SER  15   3.506  -8.379  -3.680
   72    HA   SER  15           HA       SER  15   3.453  -7.203  -6.274
   73    HB2  SER  15           HB2      SER  15   4.842  -9.156  -5.828
   74    HB3  SER  15           HB3      SER  15   3.415 -10.110  -5.427
   75    HG   SER  15           HG       SER  15   4.207 -10.404  -7.603
   76    H    CYS  16           H        CYS  16   1.476  -9.951  -5.184
   77    HA   CYS  16           HA       CYS  16  -0.604  -9.306  -7.042
   78    HB2  CYS  16           HB2      CYS  16  -0.824 -11.259  -4.756
   79    HB3  CYS  16           HB3      CYS  16  -1.679 -11.285  -6.295
   80    H    ALA  17           H        ALA  17  -2.888  -9.057  -6.377
   81    HA   ALA  17           HA       ALA  17  -3.105  -7.408  -3.942
   82    HB1  ALA  17           HB1      ALA  17  -3.690  -5.767  -5.334
   83    HB2  ALA  17           HB2      ALA  17  -3.887  -6.877  -6.691
   84    HB3  ALA  17           HB3      ALA  17  -5.208  -6.640  -5.547
   85    H    ALA  18           H        ALA  18  -3.681  -9.258  -2.737
   86    HA   ALA  18           HA       ALA  18  -6.162 -10.655  -3.364
   87    HB1  ALA  18           HB1      ALA  18  -4.866 -10.972  -0.718
   88    HB2  ALA  18           HB2      ALA  18  -5.601 -12.166  -1.783
   89    H    SER  19           H        SER  19  -7.989  -9.624  -3.000
   90    HA   SER  19           HA       SER  19  -8.335  -7.355  -1.437
   91    HB2  SER  19           HB2      SER  19 -10.831  -8.106  -1.490
   92    HB3  SER  19           HB3      SER  19 -10.025  -7.716  -3.009
   93    HG   SER  19           HG       SER  19 -11.068  -9.657  -3.283
  Start of MODEL    9
    1    H1   ALA   1           H        ALA   1   1.861   1.315   2.913
    2    HA   ALA   1           HA       ALA   1   1.385  -0.507   0.876
    3    HB1  ALA   1           HB1      ALA   1   2.634   2.226   0.848
    4    HB2  ALA   1           HB2      ALA   1   2.337   1.307  -0.629
    5    HB3  ALA   1           HB3      ALA   1   0.988   1.764   0.412
    6    H    CYS   2           H        CYS   2   2.713  -1.417  -0.740
    7    HA   CYS   2           HA       CYS   2   5.390  -2.085   0.218
    8    HB2  CYS   2           HB2      CYS   2   3.519  -3.726  -0.706
    9    HB3  CYS   2           HB3      CYS   2   4.236  -3.293  -2.255
   10    H    GLY   3           H        GLY   3   7.225  -2.044  -1.209
   11    HA2  GLY   3           HA2      GLY   3   7.150   0.286  -2.969
   12    HA3  GLY   3           HA3      GLY   3   8.592  -0.521  -2.372
   13    H    DBB   4           H        DBB   4   7.208  -3.146  -3.205
   14    HA   DBB   4           HA       DBB   4   6.842  -3.133  -5.960
   15    HB2  DBB   4           HB       DBB   4   6.213  -4.912  -4.514
   16    HG1  DBB   4          HG21      DBB   4   8.069  -6.012  -6.573
   17    HG2  DBB   4          HG22      DBB   4   6.570  -5.174  -6.976
   18    HG3  DBB   4          HG23      DBB   4   6.523  -6.669  -6.040
   19    H    GLY   5           H        GLY   5   9.930  -3.922  -4.269
   20    HA2  GLY   5           HA2      GLY   5  11.513  -2.517  -6.102
   21    HA3  GLY   5           HA3      GLY   5  12.094  -3.772  -5.017
   22    H    IAS   6           H        IAS   6  12.666  -5.760  -5.820
   23    HA   IAS   6           HA       IAS   6  12.501  -6.044  -8.713
   24    HB2  IAS   6           HB2      IAS   6  14.600  -6.712  -7.726
   25    HB3  IAS   6           HB3      IAS   6  13.801  -8.130  -8.402
   26    HXT  IAS   6           HD2      IAS   6  11.015  -8.828  -9.289
   27    H    GLY   7           H        GLY   7  12.398  -9.273  -6.657
   28    HA2  GLY   7           HA2      GLY   7  13.084 -10.786  -4.904
   29    HA3  GLY   7           HA3      GLY   7  14.044  -9.483  -4.220
   30    H    CYS   8           H        CYS   8  11.334  -7.968  -5.101
   31    HA   CYS   8           HA       CYS   8  10.392  -7.460  -2.556
   32    HB2  CYS   8           HB2      CYS   8   9.850  -6.327  -4.846
   33    HB3  CYS   8           HB3      CYS   8   8.505  -7.463  -4.889
   34    H    ALA   9           H        ALA   9   8.282  -8.022  -1.601
   35    HA   ALA   9           HA       ALA   9   8.018 -10.748  -1.139
   36    HB1  ALA   9           HB1      ALA   9   7.083  -8.665   0.142
   37    HB2  ALA   9           HB2      ALA   9   5.643  -8.972  -0.830
   38    HB3  ALA   9           HB3      ALA   9   6.263 -10.223   0.247
   39    H    LYS  10           H        LYS  10   6.200 -12.172  -1.620
   40    HA   LYS  10           HA       LYS  10   5.167 -11.725  -4.343
   41    HB2  LYS  10           HB2      LYS  10   4.944 -14.308  -4.285
   42    HB3  LYS  10           HB3      LYS  10   6.534 -13.598  -4.531
   43    HG2  LYS  10           HG2      LYS  10   6.737 -15.402  -2.981
   44    HG3  LYS  10           HG3      LYS  10   6.980 -13.887  -2.107
   45    HD2  LYS  10           HD2      LYS  10   4.984 -14.061  -0.979
   46    HD3  LYS  10           HD3      LYS  10   4.240 -15.056  -2.233
   47    HE2  LYS  10           HE2      LYS  10   5.530 -16.967  -1.556
   48    HE3  LYS  10           HE3      LYS  10   6.457 -15.991  -0.417
   49    HZ1  LYS  10           HZ1      LYS  10   4.914 -16.975   0.943
   50    HZ2  LYS  10           HZ2      LYS  10   3.683 -16.941  -0.216
   51    HZ3  LYS  10           HZ3      LYS  10   4.128 -15.519   0.585
   52    H    DBB  11           H        DBB  11   3.124 -13.143  -4.743
   53    HA   DBB  11           HA       DBB  11   1.428 -13.862  -2.682
   54    HB2  DBB  11           HB       DBB  11   1.128 -14.449  -4.966
   55    HG1  DBB  11          HG21      DBB  11  -1.282 -14.363  -5.032
   56    HG2  DBB  11          HG22      DBB  11  -1.278 -13.056  -3.846
   57    HG3  DBB  11          HG23      DBB  11  -0.697 -14.661  -3.396
   58    H    CYS  12           H        CYS  12  -0.345 -12.845  -1.574
   59    HA   CYS  12           HA       CYS  12  -0.935 -10.074  -2.049
   60    HB2  CYS  12           HB2      CYS  12  -2.640 -11.772  -1.342
   61    HB3  CYS  12           HB3      CYS  12  -1.865 -11.820   0.238
   62    H    ALA  13           H        ALA  13   1.571  -9.804  -1.593
   63    HA   ALA  13           HA       ALA  13   1.788  -8.877   1.194
   64    HB1  ALA  13           HB1      ALA  13   3.166 -10.801   1.101
   65    HB2  ALA  13           HB2      ALA  13   3.866 -10.311  -0.443
   66    HB3  ALA  13           HB3      ALA  13   4.246  -9.408   1.023
   67    H    ALA  14           H        ALA  14   2.712  -8.453  -2.148
   68    HA   ALA  14           HA       ALA  14   2.649  -5.649  -2.105
   69    HB1  ALA  14           HB1      ALA  14   5.269  -6.922  -1.619
   70    HB2  ALA  14           HB2      ALA  14   5.192  -5.830  -2.997
   71    H    SER  15           H        SER  15   3.844  -8.582  -3.667
   72    HA   SER  15           HA       SER  15   3.911  -7.497  -6.294
   73    HB2  SER  15           HB2      SER  15   4.098 -10.226  -5.103
   74    HB3  SER  15           HB3      SER  15   3.733 -10.099  -6.824
   75    HG   SER  15           HG       SER  15   5.971 -10.195  -6.489
   76    H    CYS  16           H        CYS  16   1.773 -10.084  -5.099
   77    HA   CYS  16           HA       CYS  16  -0.204  -9.460  -7.093
   78    HB2  CYS  16           HB2      CYS  16  -0.567 -11.331  -4.756
   79    HB3  CYS  16           HB3      CYS  16  -1.370 -11.379  -6.322
   80    H    ALA  17           H        ALA  17  -2.375  -8.834  -6.686
   81    HA   ALA  17           HA       ALA  17  -2.641  -7.138  -4.301
   82    HB1  ALA  17           HB1      ALA  17  -3.146  -5.641  -5.890
   83    HB2  ALA  17           HB2      ALA  17  -3.496  -6.886  -7.091
   84    HB3  ALA  17           HB3      ALA  17  -4.723  -6.432  -5.908
   85    H    ALA  18           H        ALA  18  -3.211  -8.924  -2.969
   86    HA   ALA  18           HA       ALA  18  -5.309 -10.720  -3.341
   87    HB1  ALA  18           HB1      ALA  18  -5.479  -9.978  -0.656
   88    HB2  ALA  18           HB2      ALA  18  -4.570 -11.323  -1.337
   89    H    SER  19           H        SER  19  -7.209 -10.137  -4.145
   90    HA   SER  19           HA       SER  19  -8.449  -7.624  -3.552
   91    HB2  SER  19           HB2      SER  19 -10.000  -9.848  -4.799
   92    HB3  SER  19           HB3      SER  19  -9.948  -8.137  -5.223
   93    HG   SER  19           HG       SER  19  -8.147 -10.193  -5.892
  Start of MODEL   10
    1    H1   ALA   1           H        ALA   1   5.639   0.953   3.288
    2    HA   ALA   1           HA       ALA   1   3.830   0.804   1.157
    3    HB1  ALA   1           HB1      ALA   1   4.742   2.845   1.047
    4    HB2  ALA   1           HB2      ALA   1   6.254   2.315   1.785
    5    HB3  ALA   1           HB3      ALA   1   5.983   2.073   0.060
    6    H    CYS   2           H        CYS   2   3.648  -0.679  -0.377
    7    HA   CYS   2           HA       CYS   2   6.078  -2.090  -1.268
    8    HB2  CYS   2           HB2      CYS   2   3.722  -3.165  -0.165
    9    HB3  CYS   2           HB3      CYS   2   3.659  -3.533  -1.886
   10    H    GLY   3           H        GLY   3   6.178  -2.697  -3.499
   11    HA2  GLY   3           HA2      GLY   3   4.269  -2.018  -5.436
   12    HA3  GLY   3           HA3      GLY   3   5.373  -0.661  -5.268
   13    H    DBB   4           H        DBB   4   5.961  -4.172  -5.133
   14    HA   DBB   4           HA       DBB   4   7.055  -4.362  -7.698
   15    HB2  DBB   4           HB       DBB   4   6.308  -6.213  -6.409
   16    HG1  DBB   4          HG21      DBB   4   8.411  -7.688  -6.826
   17    HG2  DBB   4          HG22      DBB   4   9.029  -6.210  -7.565
   18    HG3  DBB   4          HG23      DBB   4   7.539  -6.942  -8.165
   19    H    GLY   5           H        GLY   5   8.821  -3.803  -4.613
   20    HA2  GLY   5           HA2      GLY   5  10.670  -2.055  -5.721
   21    HA3  GLY   5           HA3      GLY   5  10.935  -2.983  -4.252
   22    H    IAS   6           H        IAS   6  11.776  -5.231  -4.482
   23    HA   IAS   6           HA       IAS   6  13.548  -5.353  -6.826
   24    HB2  IAS   6           HB2      IAS   6  14.782  -5.572  -4.772
   25    HB3  IAS   6           HB3      IAS   6  14.786  -7.127  -5.602
   26    HXT  IAS   6           HD2      IAS   6  11.892  -6.828  -8.557
   27    H    GLY   7           H        GLY   7  13.930  -8.858  -4.515
   28    HA2  GLY   7           HA2      GLY   7  13.180 -10.109  -2.743
   29    HA3  GLY   7           HA3      GLY   7  13.751  -8.795  -1.725
   30    H    CYS   8           H        CYS   8  11.388  -8.002  -4.087
   31    HA   CYS   8           HA       CYS   8   9.569  -6.916  -2.321
   32    HB2  CYS   8           HB2      CYS   8   9.689  -6.705  -4.883
   33    HB3  CYS   8           HB3      CYS   8   8.710  -8.168  -4.921
   34    H    ALA   9           H        ALA   9   7.576  -7.597  -1.475
   35    HA   ALA   9           HA       ALA   9   7.529 -10.238  -0.474
   36    HB1  ALA   9           HB1      ALA   9   5.006  -8.697  -0.488
   37    HB2  ALA   9           HB2      ALA   9   5.814  -9.544   0.832
   38    HB3  ALA   9           HB3      ALA   9   6.386  -7.956   0.322
   39    H    LYS  10           H        LYS  10   6.319 -12.013  -1.021
   40    HA   LYS  10           HA       LYS  10   5.211 -11.998  -3.726
   41    HB2  LYS  10           HB2      LYS  10   6.882 -13.761  -2.535
   42    HB3  LYS  10           HB3      LYS  10   5.336 -14.528  -2.197
   43    HG2  LYS  10           HG2      LYS  10   5.607 -13.641  -4.961
   44    HG3  LYS  10           HG3      LYS  10   6.810 -14.839  -4.479
   45    HD2  LYS  10           HD2      LYS  10   4.650 -15.993  -3.429
   46    HD3  LYS  10           HD3      LYS  10   3.863 -15.088  -4.724
   47    HE2  LYS  10           HE2      LYS  10   4.347 -17.044  -5.815
   48    HE3  LYS  10           HE3      LYS  10   5.798 -16.110  -6.176
   49    HZ1  LYS  10           HZ1      LYS  10   5.805 -18.576  -5.129
   50    HZ2  LYS  10           HZ2      LYS  10   5.918 -17.639  -3.726
   51    HZ3  LYS  10           HZ3      LYS  10   7.070 -17.466  -4.952
   52    H    DBB  11           H        DBB  11   3.199 -13.211  -4.144
   53    HA   DBB  11           HA       DBB  11   1.424 -13.983  -2.162
   54    HB2  DBB  11           HB       DBB  11   1.223 -14.540  -4.464
   55    HG1  DBB  11          HG21      DBB  11  -0.669 -14.583  -2.827
   56    HG2  DBB  11          HG22      DBB  11  -1.110 -14.677  -4.532
   57    HG3  DBB  11          HG23      DBB  11  -1.296 -13.158  -3.653
   58    H    CYS  12           H        CYS  12  -0.573 -12.973  -1.324
   59    HA   CYS  12           HA       CYS  12  -1.138 -10.234  -1.731
   60    HB2  CYS  12           HB2      CYS  12  -2.795 -11.948  -0.978
   61    HB3  CYS  12           HB3      CYS  12  -2.001 -11.966   0.593
   62    H    ALA  13           H        ALA  13   0.516  -8.861  -1.271
   63    HA   ALA  13           HA       ALA  13   0.915  -8.045   1.386
   64    HB1  ALA  13           HB1      ALA  13   2.256  -9.877   1.863
   65    HB2  ALA  13           HB2      ALA  13   2.992  -9.883   0.260
   66    HB3  ALA  13           HB3      ALA  13   3.428  -8.634   1.426
   67    H    ALA  14           H        ALA  14   2.234  -8.204  -1.851
   68    HA   ALA  14           HA       ALA  14   2.316  -5.386  -2.181
   69    HB1  ALA  14           HB1      ALA  14   4.857  -6.893  -1.693
   70    HB2  ALA  14           HB2      ALA  14   4.795  -5.669  -2.956
   71    H    SER  15           H        SER  15   3.977  -8.263  -3.513
   72    HA   SER  15           HA       SER  15   3.818  -7.533  -6.185
   73    HB2  SER  15           HB2      SER  15   4.073  -9.974  -6.668
   74    HB3  SER  15           HB3      SER  15   5.231  -9.368  -5.484
   75    HG   SER  15           HG       SER  15   4.091 -10.343  -3.870
   76    H    CYS  16           H        CYS  16   1.736  -9.970  -4.614
   77    HA   CYS  16           HA       CYS  16  -0.250  -9.632  -6.705
   78    HB2  CYS  16           HB2      CYS  16  -0.490 -11.409  -4.281
   79    HB3  CYS  16           HB3      CYS  16  -1.296 -11.576  -5.838
   80    H    ALA  17           H        ALA  17  -2.419  -9.046  -6.333
   81    HA   ALA  17           HA       ALA  17  -2.779  -7.328  -3.975
   82    HB1  ALA  17           HB1      ALA  17  -4.839  -6.687  -5.640
   83    HB2  ALA  17           HB2      ALA  17  -3.286  -5.852  -5.583
   84    HB3  ALA  17           HB3      ALA  17  -3.567  -7.111  -6.786
   85    H    ALA  18           H        ALA  18  -3.349  -9.096  -2.633
   86    HA   ALA  18           HA       ALA  18  -5.375 -10.963  -3.039
   87    HB1  ALA  18           HB1      ALA  18  -5.645 -10.132  -0.372
   88    HB2  ALA  18           HB2      ALA  18  -4.737 -11.508  -0.989
   89    H    SER  19           H        SER  19  -7.266 -10.463  -3.916
   90    HA   SER  19           HA       SER  19  -8.735  -8.130  -2.888
   91    HB2  SER  19           HB2      SER  19  -8.127  -8.452  -5.416
   92    HB3  SER  19           HB3      SER  19  -9.494  -9.566  -5.410
   93    HG   SER  19           HG       SER  19 -10.790  -7.920  -5.369
  Start of MODEL   11
    1    H1   ALA   1           H        ALA   1   0.942  -0.503   1.737
    2    HA   ALA   1           HA       ALA   1   1.162   0.251  -1.077
    3    HB1  ALA   1           HB1      ALA   1   1.540   2.073   1.191
    4    HB2  ALA   1           HB2      ALA   1   2.852   2.077   0.011
    5    HB3  ALA   1           HB3      ALA   1   1.201   2.421  -0.505
    6    H    CYS   2           H        CYS   2   2.770  -0.851  -1.970
    7    HA   CYS   2           HA       CYS   2   4.986  -1.747  -0.246
    8    HB2  CYS   2           HB2      CYS   2   3.352  -3.473  -1.304
    9    HB3  CYS   2           HB3      CYS   2   4.221  -3.134  -2.798
   10    H    GLY   3           H        GLY   3   7.085  -1.591  -1.012
   11    HA2  GLY   3           HA2      GLY   3   7.594   0.534  -2.836
   12    HA3  GLY   3           HA3      GLY   3   8.800  -0.512  -2.101
   13    H    DBB   4           H        DBB   4   8.003  -2.993  -3.065
   14    HA   DBB   4           HA       DBB   4   7.807  -2.726  -5.944
   15    HB2  DBB   4           HB       DBB   4   6.533  -4.368  -4.789
   16    HG1  DBB   4          HG21      DBB   4   7.501  -6.399  -6.190
   17    HG2  DBB   4          HG22      DBB   4   8.430  -5.084  -6.911
   18    HG3  DBB   4          HG23      DBB   4   6.666  -5.031  -6.924
   19    H    GLY   5           H        GLY   5  10.214  -4.349  -3.794
   20    HA2  GLY   5           HA2      GLY   5  12.462  -3.228  -4.924
   21    HA3  GLY   5           HA3      GLY   5  12.434  -4.814  -4.169
   22    H    IAS   6           H        IAS   6  12.191  -6.714  -5.461
   23    HA   IAS   6           HA       IAS   6  12.864  -6.216  -8.274
   24    HB2  IAS   6           HB2      IAS   6  14.342  -7.802  -7.210
   25    HB3  IAS   6           HB3      IAS   6  13.367  -8.637  -8.418
   26    HXT  IAS   6           HD2      IAS   6  11.492  -7.686 -10.030
   27    H    GLY   7           H        GLY   7  13.874  -7.964  -5.003
   28    HA2  GLY   7           HA2      GLY   7  12.733 -10.596  -4.350
   29    HA3  GLY   7           HA3      GLY   7  13.895  -9.715  -3.369
   30    H    CYS   8           H        CYS   8  10.924  -8.460  -4.814
   31    HA   CYS   8           HA       CYS   8  10.107  -7.366  -2.285
   32    HB2  CYS   8           HB2      CYS   8   9.757  -6.334  -4.615
   33    HB3  CYS   8           HB3      CYS   8   8.416  -7.464  -4.776
   34    H    ALA   9           H        ALA   9   8.023  -7.758  -1.296
   35    HA   ALA   9           HA       ALA   9   7.529 -10.421  -0.707
   36    HB1  ALA   9           HB1      ALA   9   5.244  -8.547  -0.499
   37    HB2  ALA   9           HB2      ALA   9   5.908  -9.666   0.692
   38    HB3  ALA   9           HB3      ALA   9   6.716  -8.130   0.379
   39    H    LYS  10           H        LYS  10   6.549 -12.019  -1.753
   40    HA   LYS  10           HA       LYS  10   5.168 -11.460  -4.246
   41    HB2  LYS  10           HB2      LYS  10   5.142 -13.951  -4.469
   42    HB3  LYS  10           HB3      LYS  10   6.751 -13.261  -4.306
   43    HG2  LYS  10           HG2      LYS  10   6.995 -14.044  -2.120
   44    HG3  LYS  10           HG3      LYS  10   5.263 -14.332  -1.936
   45    HD2  LYS  10           HD2      LYS  10   5.363 -16.172  -3.499
   46    HD3  LYS  10           HD3      LYS  10   7.064 -15.839  -3.832
   47    HE2  LYS  10           HE2      LYS  10   7.650 -16.394  -1.549
   48    HE3  LYS  10           HE3      LYS  10   5.951 -16.624  -1.140
   49    HZ1  LYS  10           HZ1      LYS  10   7.687 -18.313  -2.824
   50    HZ2  LYS  10           HZ2      LYS  10   6.005 -18.374  -2.990
   51    HZ3  LYS  10           HZ3      LYS  10   6.723 -18.761  -1.508
   52    H    DBB  11           H        DBB  11   3.162 -12.845  -4.707
   53    HA   DBB  11           HA       DBB  11   1.527 -13.673  -2.582
   54    HB2  DBB  11           HB       DBB  11   1.290 -14.416  -4.827
   55    HG1  DBB  11          HG21      DBB  11  -0.527 -14.566  -3.192
   56    HG2  DBB  11          HG22      DBB  11  -1.086 -14.593  -4.865
   57    HG3  DBB  11          HG23      DBB  11  -1.246 -13.122  -3.904
   58    H    CYS  12           H        CYS  12  -0.419 -12.722  -1.651
   59    HA   CYS  12           HA       CYS  12  -1.086  -9.994  -2.253
   60    HB2  CYS  12           HB2      CYS  12  -2.110 -11.563   0.106
   61    HB3  CYS  12           HB3      CYS  12  -2.911 -10.267  -0.776
   62    H    ALA  13           H        ALA  13   1.384  -9.631  -1.635
   63    HA   ALA  13           HA       ALA  13   1.361  -8.568   1.111
   64    HB1  ALA  13           HB1      ALA  13   3.576 -10.070  -0.262
   65    HB2  ALA  13           HB2      ALA  13   3.839  -9.064   1.163
   66    HB3  ALA  13           HB3      ALA  13   2.768 -10.462   1.256
   67    H    ALA  14           H        ALA  14   2.539  -8.307  -2.164
   68    HA   ALA  14           HA       ALA  14   2.485  -5.487  -2.220
   69    HB1  ALA  14           HB1      ALA  14   5.012  -6.719  -1.471
   70    HB2  ALA  14           HB2      ALA  14   5.089  -5.938  -3.047
   71    H    SER  15           H        SER  15   3.678  -8.484  -3.664
   72    HA   SER  15           HA       SER  15   3.776  -7.465  -6.325
   73    HB2  SER  15           HB2      SER  15   3.869 -10.226  -5.132
   74    HB3  SER  15           HB3      SER  15   3.785  -9.998  -6.879
   75    HG   SER  15           HG       SER  15   5.655  -8.458  -6.380
   76    H    CYS  16           H        CYS  16   1.728 -10.140  -5.190
   77    HA   CYS  16           HA       CYS  16  -0.248  -9.597  -7.188
   78    HB2  CYS  16           HB2      CYS  16  -0.604 -11.407  -4.802
   79    HB3  CYS  16           HB3      CYS  16  -1.376 -11.523  -6.380
   80    H    ALA  17           H        ALA  17  -2.545  -9.252  -6.694
   81    HA   ALA  17           HA       ALA  17  -2.886  -7.477  -4.365
   82    HB1  ALA  17           HB1      ALA  17  -3.512  -7.107  -7.183
   83    HB2  ALA  17           HB2      ALA  17  -4.882  -6.777  -6.123
   84    HB3  ALA  17           HB3      ALA  17  -3.360  -5.918  -5.889
   85    H    ALA  18           H        ALA  18  -3.551  -9.252  -3.093
   86    HA   ALA  18           HA       ALA  18  -6.017 -10.651  -3.780
   87    HB1  ALA  18           HB1      ALA  18  -4.879 -10.858  -1.056
   88    HB2  ALA  18           HB2      ALA  18  -5.553 -12.094  -2.113
   89    H    SER  19           H        SER  19  -7.842  -9.574  -3.565
   90    HA   SER  19           HA       SER  19  -8.197  -7.240  -2.061
   91    HB2  SER  19           HB2      SER  19 -10.646  -7.634  -2.450
   92    HB3  SER  19           HB3      SER  19  -9.665  -7.714  -3.914
   93    HG   SER  19           HG       SER  19 -10.259 -10.041  -2.440
  Start of MODEL   12
    1    H1   ALA   1           H        ALA   1   0.705   0.990   0.435
    2    HA   ALA   1           HA       ALA   1   1.840   1.424  -1.883
    3    HB1  ALA   1           HB1      ALA   1   3.289   2.460   0.539
    4    HB2  ALA   1           HB2      ALA   1   3.067   3.245  -1.025
    5    HB3  ALA   1           HB3      ALA   1   1.693   3.043   0.063
    6    H    CYS   2           H        CYS   2   2.570  -1.256  -1.205
    7    HA   CYS   2           HA       CYS   2   5.231  -1.679  -0.580
    8    HB2  CYS   2           HB2      CYS   2   3.260  -3.343  -1.117
    9    HB3  CYS   2           HB3      CYS   2   3.958  -3.320  -2.734
   10    H    GLY   3           H        GLY   3   7.098  -1.200  -1.534
   11    HA2  GLY   3           HA2      GLY   3   7.218   0.314  -3.917
   12    HA3  GLY   3           HA3      GLY   3   8.592  -0.397  -3.083
   13    H    DBB   4           H        DBB   4   7.129  -3.088  -3.386
   14    HA   DBB   4           HA       DBB   4   6.898  -3.653  -6.108
   15    HB2  DBB   4           HB       DBB   4   6.051  -5.028  -4.363
   16    HG1  DBB   4          HG21      DBB   4   7.908  -6.378  -6.270
   17    HG2  DBB   4          HG22      DBB   4   6.202  -5.993  -6.507
   18    HG3  DBB   4          HG23      DBB   4   6.676  -7.233  -5.344
   19    H    GLY   5           H        GLY   5   9.812  -4.233  -4.062
   20    HA2  GLY   5           HA2      GLY   5  11.644  -3.324  -5.921
   21    HA3  GLY   5           HA3      GLY   5  12.008  -4.510  -4.677
   22    H    IAS   6           H        IAS   6  12.040  -6.741  -5.173
   23    HA   IAS   6           HA       IAS   6  12.168  -7.257  -8.055
   24    HB2  IAS   6           HB2      IAS   6  14.059  -8.127  -6.832
   25    HB3  IAS   6           HB3      IAS   6  13.100  -9.471  -7.448
   26    HXT  IAS   6           HD2      IAS   6  10.193  -9.980  -6.215
   27    H    GLY   7           H        GLY   7  13.760  -7.425  -4.638
   28    HA2  GLY   7           HA2      GLY   7  13.582  -9.767  -2.897
   29    HA3  GLY   7           HA3      GLY   7  14.283  -8.211  -2.477
   30    H    CYS   8           H        CYS   8  11.173  -8.351  -4.009
   31    HA   CYS   8           HA       CYS   8   9.969  -7.211  -1.614
   32    HB2  CYS   8           HB2      CYS   8   9.698  -6.453  -4.149
   33    HB3  CYS   8           HB3      CYS   8   8.406  -7.649  -4.116
   34    H    ALA   9           H        ALA   9   7.698  -7.918  -1.080
   35    HA   ALA   9           HA       ALA   9   7.711 -10.708  -0.499
   36    HB1  ALA   9           HB1      ALA   9   5.475  -8.711  -0.167
   37    HB2  ALA   9           HB2      ALA   9   5.578 -10.302   0.588
   38    HB3  ALA   9           HB3      ALA   9   6.736  -9.044   1.020
   39    H    LYS  10           H        LYS  10   6.143 -12.275  -1.136
   40    HA   LYS  10           HA       LYS  10   5.096 -11.798  -3.845
   41    HB2  LYS  10           HB2      LYS  10   6.079 -14.270  -2.448
   42    HB3  LYS  10           HB3      LYS  10   5.019 -14.391  -3.846
   43    HG2  LYS  10           HG2      LYS  10   6.753 -12.852  -4.993
   44    HG3  LYS  10           HG3      LYS  10   7.820 -13.364  -3.683
   45    HD2  LYS  10           HD2      LYS  10   6.311 -15.428  -5.221
   46    HD3  LYS  10           HD3      LYS  10   7.742 -14.691  -5.946
   47    HE2  LYS  10           HE2      LYS  10   8.890 -15.260  -3.707
   48    HE3  LYS  10           HE3      LYS  10   7.525 -16.346  -3.454
   49    HZ1  LYS  10           HZ1      LYS  10   8.264 -17.774  -5.001
   50    HZ2  LYS  10           HZ2      LYS  10   9.764 -17.046  -4.717
   51    HZ3  LYS  10           HZ3      LYS  10   8.825 -16.559  -6.037
   52    H    DBB  11           H        DBB  11   3.033 -12.742  -4.411
   53    HA   DBB  11           HA       DBB  11   1.358 -13.760  -2.332
   54    HB2  DBB  11           HB       DBB  11   1.190 -14.482  -4.591
   55    HG1  DBB  11          HG21      DBB  11  -0.668 -14.776  -3.128
   56    HG2  DBB  11          HG22      DBB  11  -1.251 -14.490  -4.768
   57    HG3  DBB  11          HG23      DBB  11  -1.313 -13.196  -3.569
   58    H    CYS  12           H        CYS  12  -0.524 -12.800  -1.356
   59    HA   CYS  12           HA       CYS  12  -1.252 -10.097  -2.000
   60    HB2  CYS  12           HB2      CYS  12  -2.197 -11.630   0.414
   61    HB3  CYS  12           HB3      CYS  12  -3.041 -10.370  -0.481
   62    H    ALA  13           H        ALA  13   1.226  -9.682  -1.443
   63    HA   ALA  13           HA       ALA  13   1.242  -8.557   1.277
   64    HB1  ALA  13           HB1      ALA  13   3.564  -9.900  -0.102
   65    HB2  ALA  13           HB2      ALA  13   3.635  -9.071   1.453
   66    HB3  ALA  13           HB3      ALA  13   2.660 -10.530   1.275
   67    H    ALA  14           H        ALA  14   2.356  -8.357  -2.025
   68    HA   ALA  14           HA       ALA  14   2.272  -5.533  -2.128
   69    HB1  ALA  14           HB1      ALA  14   4.852  -6.792  -1.533
   70    HB2  ALA  14           HB2      ALA  14   4.822  -5.901  -3.051
   71    H    SER  15           H        SER  15   3.661  -8.451  -3.621
   72    HA   SER  15           HA       SER  15   3.561  -7.491  -6.273
   73    HB2  SER  15           HB2      SER  15   3.767  -9.914  -6.894
   74    HB3  SER  15           HB3      SER  15   4.981  -9.365  -5.740
   75    HG   SER  15           HG       SER  15   3.776 -10.325  -4.088
   76    H    CYS  16           H        CYS  16   1.567 -10.124  -4.938
   77    HA   CYS  16           HA       CYS  16  -0.484  -9.632  -6.903
   78    HB2  CYS  16           HB2      CYS  16  -0.750 -11.497  -4.557
   79    HB3  CYS  16           HB3      CYS  16  -1.491 -11.621  -6.149
   80    H    ALA  17           H        ALA  17  -2.709  -9.205  -6.393
   81    HA   ALA  17           HA       ALA  17  -3.018  -7.587  -3.948
   82    HB1  ALA  17           HB1      ALA  17  -3.679  -7.061  -6.730
   83    HB2  ALA  17           HB2      ALA  17  -5.041  -6.795  -5.641
   84    HB3  ALA  17           HB3      ALA  17  -3.518  -5.946  -5.373
   85    H    ALA  18           H        ALA  18  -3.675  -9.416  -2.756
   86    HA   ALA  18           HA       ALA  18  -6.110 -10.829  -3.483
   87    HB1  ALA  18           HB1      ALA  18  -5.019 -11.006  -0.733
   88    HB2  ALA  18           HB2      ALA  18  -5.666 -12.256  -1.791
   89    H    SER  19           H        SER  19  -7.973  -9.815  -3.303
   90    HA   SER  19           HA       SER  19  -8.413  -8.068  -0.969
   91    HB2  SER  19           HB2      SER  19  -9.822  -6.653  -2.321
   92    HB3  SER  19           HB3      SER  19  -8.289  -6.860  -3.168
   93    HG   SER  19           HG       SER  19  -9.327  -7.767  -4.746
  Start of MODEL   13
    1    H1   ALA   1           H        ALA   1   0.070  -0.808   0.151
    2    HA   ALA   1           HA       ALA   1   0.927  -1.591  -2.559
    3    HB1  ALA   1           HB1      ALA   1  -0.150   0.879  -1.735
    4    HB2  ALA   1           HB2      ALA   1   1.567   1.144  -2.039
    5    HB3  ALA   1           HB3      ALA   1   0.543   0.463  -3.303
    6    H    CYS   2           H        CYS   2   2.941  -2.315  -2.613
    7    HA   CYS   2           HA       CYS   2   4.772  -1.596  -0.437
    8    HB2  CYS   2           HB2      CYS   2   5.998  -3.573  -0.949
    9    HB3  CYS   2           HB3      CYS   2   4.296  -4.021  -0.973
   10    H    GLY   3           H        GLY   3   7.202  -2.091  -1.587
   11    HA2  GLY   3           HA2      GLY   3   7.421   0.187  -3.431
   12    HA3  GLY   3           HA3      GLY   3   8.722  -0.461  -2.443
   13    H    DBB   4           H        DBB   4   8.319  -3.218  -3.117
   14    HA   DBB   4           HA       DBB   4   8.771  -3.197  -6.008
   15    HB2  DBB   4           HB       DBB   4   7.113  -4.669  -5.150
   16    HG1  DBB   4          HG21      DBB   4   9.479  -6.085  -6.303
   17    HG2  DBB   4          HG22      DBB   4   8.222  -5.227  -7.196
   18    HG3  DBB   4          HG23      DBB   4   7.829  -6.705  -6.314
   19    H    GLY   5           H        GLY   5  10.751  -3.640  -6.972
   20    HA2  GLY   5           HA2      GLY   5  13.133  -3.517  -6.731
   21    HA3  GLY   5           HA3      GLY   5  12.972  -4.240  -5.137
   22    H    IAS   6           H        IAS   6  13.574  -6.326  -4.958
   23    HA   IAS   6           HA       IAS   6  13.806  -7.878  -7.417
   24    HB2  IAS   6           HB2      IAS   6  15.665  -8.123  -5.912
   25    HB3  IAS   6           HB3      IAS   6  14.791  -9.652  -5.976
   26    HXT  IAS   6           HD2      IAS   6  12.124 -10.645  -6.515
   27    H    GLY   7           H        GLY   7  13.040  -9.731  -4.156
   28    HA2  GLY   7           HA2      GLY   7  13.712 -10.237  -1.766
   29    HA3  GLY   7           HA3      GLY   7  14.140  -8.535  -1.690
   30    H    CYS   8           H        CYS   8  11.767  -7.910  -3.442
   31    HA   CYS   8           HA       CYS   8   9.982  -7.095  -1.505
   32    HB2  CYS   8           HB2      CYS   8  10.121  -6.496  -4.027
   33    HB3  CYS   8           HB3      CYS   8   9.029  -7.859  -4.250
   34    H    ALA   9           H        ALA   9   7.769  -7.811  -1.076
   35    HA   ALA   9           HA       ALA   9   7.702 -10.672  -0.610
   36    HB1  ALA   9           HB1      ALA   9   5.757  -8.511   0.191
   37    HB2  ALA   9           HB2      ALA   9   5.700 -10.194   0.717
   38    HB3  ALA   9           HB3      ALA   9   7.054  -9.167   1.189
   39    H    LYS  10           H        LYS  10   5.977 -12.040  -1.249
   40    HA   LYS  10           HA       LYS  10   4.693 -11.180  -3.751
   41    HB2  LYS  10           HB2      LYS  10   5.208 -13.981  -2.732
   42    HB3  LYS  10           HB3      LYS  10   4.509 -13.563  -4.291
   43    HG2  LYS  10           HG2      LYS  10   6.719 -12.245  -4.637
   44    HG3  LYS  10           HG3      LYS  10   7.325 -13.284  -3.346
   45    HD2  LYS  10           HD2      LYS  10   7.845 -14.329  -5.432
   46    HD3  LYS  10           HD3      LYS  10   6.545 -15.254  -4.676
   47    HE2  LYS  10           HE2      LYS  10   4.914 -14.277  -6.116
   48    HE3  LYS  10           HE3      LYS  10   6.078 -13.107  -6.737
   49    HZ1  LYS  10           HZ1      LYS  10   7.357 -15.104  -7.567
   50    HZ2  LYS  10           HZ2      LYS  10   5.908 -14.757  -8.369
   51    HZ3  LYS  10           HZ3      LYS  10   5.971 -16.020  -7.245
   52    H    DBB  11           H        DBB  11   2.686 -12.976  -4.023
   53    HA   DBB  11           HA       DBB  11   1.126 -13.524  -1.811
   54    HB2  DBB  11           HB       DBB  11   0.763 -14.401  -3.991
   55    HG1  DBB  11          HG21      DBB  11  -1.639 -14.474  -3.936
   56    HG2  DBB  11          HG22      DBB  11  -1.680 -13.015  -2.946
   57    HG3  DBB  11          HG23      DBB  11  -0.976 -14.500  -2.303
   58    H    CYS  12           H        CYS  12  -0.509 -12.451  -0.623
   59    HA   CYS  12           HA       CYS  12  -1.411  -9.842  -1.432
   60    HB2  CYS  12           HB2      CYS  12  -2.873 -11.532  -0.298
   61    HB3  CYS  12           HB3      CYS  12  -1.936 -11.286   1.172
   62    H    ALA  13           H        ALA  13   1.117  -9.356  -1.299
   63    HA   ALA  13           HA       ALA  13   1.480  -7.888   1.222
   64    HB1  ALA  13           HB1      ALA  13   2.864  -9.875   1.369
   65    HB2  ALA  13           HB2      ALA  13   3.610  -9.496  -0.184
   66    HB3  ALA  13           HB3      ALA  13   3.874  -8.439   1.203
   67    H    ALA  14           H        ALA  14   2.215  -8.211  -2.175
   68    HA   ALA  14           HA       ALA  14   2.113  -5.459  -2.736
   69    HB1  ALA  14           HB1      ALA  14   4.581  -6.031  -1.736
   70    HB2  ALA  14           HB2      ALA  14   4.760  -6.521  -3.418
   71    H    SER  15           H        SER  15   3.652  -8.476  -3.873
   72    HA   SER  15           HA       SER  15   3.392  -8.036  -6.598
   73    HB2  SER  15           HB2      SER  15   4.697  -9.890  -5.604
   74    HB3  SER  15           HB3      SER  15   3.191 -10.696  -5.164
   75    HG   SER  15           HG       SER  15   4.491 -10.711  -7.515
   76    H    CYS  16           H        CYS  16   1.210 -10.002  -4.569
   77    HA   CYS  16           HA       CYS  16  -0.865  -9.745  -6.614
   78    HB2  CYS  16           HB2      CYS  16  -1.081 -11.373  -4.090
   79    HB3  CYS  16           HB3      CYS  16  -1.938 -11.591  -5.612
   80    H    ALA  17           H        ALA  17  -3.067  -9.227  -5.975
   81    HA   ALA  17           HA       ALA  17  -3.121  -7.274  -3.771
   82    HB1  ALA  17           HB1      ALA  17  -4.132  -7.205  -6.506
   83    HB2  ALA  17           HB2      ALA  17  -5.323  -6.711  -5.303
   84    HB3  ALA  17           HB3      ALA  17  -3.768  -5.883  -5.396
   85    H    ALA  18           H        ALA  18  -3.613  -8.911  -2.250
   86    HA   ALA  18           HA       ALA  18  -5.714 -10.739  -2.328
   87    HB1  ALA  18           HB1      ALA  18  -5.759  -9.802   0.279
   88    HB2  ALA  18           HB2      ALA  18  -4.800 -11.142  -0.341
   89    H    SER  19           H        SER  19  -7.668 -10.250  -3.058
   90    HA   SER  19           HA       SER  19  -8.896  -7.714  -2.796
   91    HB2  SER  19           HB2      SER  19 -10.740  -8.646  -3.941
   92    HB3  SER  19           HB3      SER  19  -9.344  -9.527  -4.562
   93    HG   SER  19           HG       SER  19 -10.423 -11.227  -3.968
  Start of MODEL   14
    1    H1   ALA   1           H        ALA   1  -0.621  -3.477  -2.248
    2    HA   ALA   1           HA       ALA   1   1.526  -4.227  -3.973
    3    HB1  ALA   1           HB1      ALA   1   1.733  -1.727  -4.774
    4    HB2  ALA   1           HB2      ALA   1   0.761  -2.897  -5.669
    5    HB3  ALA   1           HB3      ALA   1  -0.019  -1.756  -4.573
    6    H    CYS   2           H        CYS   2   3.298  -4.066  -2.776
    7    HA   CYS   2           HA       CYS   2   3.286  -2.268  -0.464
    8    HB2  CYS   2           HB2      CYS   2   5.010  -3.634   0.462
    9    HB3  CYS   2           HB3      CYS   2   3.799  -4.727  -0.202
   10    H    GLY   3           H        GLY   3   4.813  -2.765  -3.532
   11    HA2  GLY   3           HA2      GLY   3   5.787  -0.358  -4.069
   12    HA3  GLY   3           HA3      GLY   3   6.990  -0.921  -2.919
   13    H    DBB   4           H        DBB   4   6.665  -3.729  -3.898
   14    HA   DBB   4           HA       DBB   4   7.326  -3.770  -6.640
   15    HB2  DBB   4           HB       DBB   4   6.413  -5.623  -5.464
   16    HG1  DBB   4          HG21      DBB   4   9.051  -6.525  -6.497
   17    HG2  DBB   4          HG22      DBB   4   7.849  -5.782  -7.554
   18    HG3  DBB   4          HG23      DBB   4   7.469  -7.277  -6.695
   19    H    GLY   5           H        GLY   5   9.520  -3.945  -3.791
   20    HA2  GLY   5           HA2      GLY   5  11.511  -2.393  -4.967
   21    HA3  GLY   5           HA3      GLY   5  11.768  -3.512  -3.637
   22    H    IAS   6           H        IAS   6  12.457  -5.684  -4.062
   23    HA   IAS   6           HA       IAS   6  13.812  -5.906  -6.642
   24    HB2  IAS   6           HB2      IAS   6  15.157  -6.551  -4.743
   25    HB3  IAS   6           HB3      IAS   6  14.832  -7.972  -5.734
   26    HXT  IAS   6           HD2      IAS   6  10.888  -8.542  -6.177
   27    H    GLY   7           H        GLY   7  13.480  -9.579  -4.844
   28    HA2  GLY   7           HA2      GLY   7  12.729 -10.925  -3.141
   29    HA3  GLY   7           HA3      GLY   7  13.652  -9.911  -2.042
   30    H    CYS   8           H        CYS   8  10.895  -9.131  -4.144
   31    HA   CYS   8           HA       CYS   8   9.601  -7.754  -1.958
   32    HB2  CYS   8           HB2      CYS   8   9.651  -7.202  -4.559
   33    HB3  CYS   8           HB3      CYS   8   8.217  -8.223  -4.558
   34    H    ALA   9           H        ALA   9   7.762  -8.350  -0.894
   35    HA   ALA   9           HA       ALA   9   7.216 -11.031  -0.464
   36    HB1  ALA   9           HB1      ALA   9   6.507  -8.851   0.828
   37    HB2  ALA   9           HB2      ALA   9   5.019  -9.057  -0.096
   38    HB3  ALA   9           HB3      ALA   9   5.576 -10.342   0.976
   39    H    LYS  10           H        LYS  10   5.894 -12.523  -1.354
   40    HA   LYS  10           HA       LYS  10   4.658 -11.851  -3.904
   41    HB2  LYS  10           HB2      LYS  10   5.595 -14.328  -2.579
   42    HB3  LYS  10           HB3      LYS  10   4.202 -14.498  -3.638
   43    HG2  LYS  10           HG2      LYS  10   6.161 -14.951  -4.912
   44    HG3  LYS  10           HG3      LYS  10   5.519 -13.393  -5.439
   45    HD2  LYS  10           HD2      LYS  10   7.271 -12.220  -4.563
   46    HD3  LYS  10           HD3      LYS  10   7.547 -13.388  -3.269
   47    HE2  LYS  10           HE2      LYS  10   9.337 -13.952  -4.515
   48    HE3  LYS  10           HE3      LYS  10   8.156 -14.897  -5.419
   49    HZ1  LYS  10           HZ1      LYS  10   9.783 -12.926  -6.414
   50    HZ2  LYS  10           HZ2      LYS  10   8.256 -12.204  -6.334
   51    HZ3  LYS  10           HZ3      LYS  10   8.467 -13.639  -7.203
   52    H    DBB  11           H        DBB  11   2.554 -13.322  -4.278
   53    HA   DBB  11           HA       DBB  11   0.804 -13.798  -2.191
   54    HB2  DBB  11           HB       DBB  11   0.520 -14.583  -4.416
   55    HG1  DBB  11          HG21      DBB  11  -1.889 -14.410  -4.540
   56    HG2  DBB  11          HG22      DBB  11  -1.849 -13.018  -3.456
   57    HG3  DBB  11          HG23      DBB  11  -1.336 -14.605  -2.878
   58    H    CYS  12           H        CYS  12  -1.042 -12.629  -1.310
   59    HA   CYS  12           HA       CYS  12  -1.432  -9.870  -2.006
   60    HB2  CYS  12           HB2      CYS  12  -2.618 -11.297   0.372
   61    HB3  CYS  12           HB3      CYS  12  -3.267  -9.907  -0.491
   62    H    ALA  13           H        ALA  13   1.058  -9.732  -1.377
   63    HA   ALA  13           HA       ALA  13   1.122  -8.574   1.329
   64    HB1  ALA  13           HB1      ALA  13   2.295 -10.715   1.368
   65    HB2  ALA  13           HB2      ALA  13   3.336 -10.174   0.050
   66    HB3  ALA  13           HB3      ALA  13   3.410  -9.371   1.618
   67    H    ALA  14           H        ALA  14   2.355  -8.561  -1.937
   68    HA   ALA  14           HA       ALA  14   2.597  -5.751  -2.089
   69    HB1  ALA  14           HB1      ALA  14   4.926  -7.091  -1.135
   70    HB2  ALA  14           HB2      ALA  14   5.157  -6.715  -2.840
   71    H    SER  15           H        SER  15   3.507  -8.897  -3.434
   72    HA   SER  15           HA       SER  15   3.698  -7.984  -6.124
   73    HB2  SER  15           HB2      SER  15   3.319 -10.767  -4.996
   74    HB3  SER  15           HB3      SER  15   3.655 -10.414  -6.691
   75    HG   SER  15           HG       SER  15   5.608  -9.397  -5.967
   76    H    CYS  16           H        CYS  16   1.382 -10.390  -4.904
   77    HA   CYS  16           HA       CYS  16  -0.526  -9.703  -6.929
   78    HB2  CYS  16           HB2      CYS  16  -1.076 -11.413  -4.509
   79    HB3  CYS  16           HB3      CYS  16  -1.832 -11.495  -6.097
   80    H    ALA  17           H        ALA  17  -2.674  -8.939  -6.571
   81    HA   ALA  17           HA       ALA  17  -2.874  -7.159  -4.233
   82    HB1  ALA  17           HB1      ALA  17  -2.812  -5.891  -6.257
   83    HB2  ALA  17           HB2      ALA  17  -4.060  -6.899  -6.990
   84    HB3  ALA  17           HB3      ALA  17  -4.463  -5.842  -5.638
   85    H    ALA  18           H        ALA  18  -3.741  -8.847  -2.951
   86    HA   ALA  18           HA       ALA  18  -6.319 -10.003  -3.638
   87    HB1  ALA  18           HB1      ALA  18  -5.210 -10.138  -0.879
   88    HB2  ALA  18           HB2      ALA  18  -6.100 -11.338  -1.812
   89    H    SER  19           H        SER  19  -5.053  -7.700  -1.237
   90    HA   SER  19           HA       SER  19  -7.437  -7.113   0.062
   91    HB2  SER  19           HB2      SER  19  -5.361  -6.317   0.972
   92    HB3  SER  19           HB3      SER  19  -5.025  -5.370  -0.476
   93    HG   SER  19           HG       SER  19  -6.591  -4.769   1.689
  Start of MODEL   15
    1    H1   ALA   1           H        ALA   1   0.027   0.301  -1.135
    2    HA   ALA   1           HA       ALA   1   1.653   0.807   0.376
    3    HB1  ALA   1           HB1      ALA   1   1.709  -0.686   2.442
    4    HB2  ALA   1           HB2      ALA   1   0.192   0.140   2.086
    5    HB3  ALA   1           HB3      ALA   1   0.378  -1.570   1.696
    6    H    CYS   2           H        CYS   2   2.550  -0.520  -1.875
    7    HA   CYS   2           HA       CYS   2   4.996  -1.679  -0.867
    8    HB2  CYS   2           HB2      CYS   2   3.205  -3.547  -1.159
    9    HB3  CYS   2           HB3      CYS   2   3.503  -3.332  -2.881
   10    H    GLY   3           H        GLY   3   6.658  -1.823  -2.473
   11    HA2  GLY   3           HA2      GLY   3   6.132  -0.039  -4.757
   12    HA3  GLY   3           HA3      GLY   3   7.700  -0.279  -4.002
   13    H    DBB   4           H        DBB   4   7.381  -3.201  -3.888
   14    HA   DBB   4           HA       DBB   4   7.171  -3.942  -6.682
   15    HB2  DBB   4           HB       DBB   4   6.202  -5.304  -4.992
   16    HG1  DBB   4          HG21      DBB   4   8.428  -6.727  -6.392
   17    HG2  DBB   4          HG22      DBB   4   6.897  -6.245  -7.126
   18    HG3  DBB   4          HG23      DBB   4   6.919  -7.445  -5.832
   19    H    GLY   5           H        GLY   5   9.815  -4.141  -4.237
   20    HA2  GLY   5           HA2      GLY   5  11.799  -3.196  -5.921
   21    HA3  GLY   5           HA3      GLY   5  12.090  -4.237  -4.535
   22    H    IAS   6           H        IAS   6  12.421  -6.473  -4.814
   23    HA   IAS   6           HA       IAS   6  12.976  -7.212  -7.592
   24    HB2  IAS   6           HB2      IAS   6  14.743  -7.788  -6.050
   25    HB3  IAS   6           HB3      IAS   6  14.003  -9.265  -6.666
   26    HXT  IAS   6           HD2      IAS   6  10.569  -8.106  -8.555
   27    H    GLY   7           H        GLY   7  14.064  -6.950  -3.989
   28    HA2  GLY   7           HA2      GLY   7  13.975  -9.119  -2.061
   29    HA3  GLY   7           HA3      GLY   7  14.245  -7.418  -1.709
   30    H    CYS   8           H        CYS   8  11.597  -7.795  -3.731
   31    HA   CYS   8           HA       CYS   8   9.784  -7.069  -1.610
   32    HB2  CYS   8           HB2      CYS   8   9.894  -6.387  -4.219
   33    HB3  CYS   8           HB3      CYS   8   8.717  -7.694  -4.302
   34    H    ALA   9           H        ALA   9   7.514  -8.145  -1.728
   35    HA   ALA   9           HA       ALA   9   7.949 -11.026  -1.414
   36    HB1  ALA   9           HB1      ALA   9   5.770  -9.210  -0.398
   37    HB2  ALA   9           HB2      ALA   9   5.777 -10.961  -0.185
   38    HB3  ALA   9           HB3      ALA   9   7.051  -9.981   0.538
   39    H    LYS  10           H        LYS  10   6.178 -12.487  -2.072
   40    HA   LYS  10           HA       LYS  10   5.063 -11.629  -4.654
   41    HB2  LYS  10           HB2      LYS  10   5.340 -13.763  -5.454
   42    HB3  LYS  10           HB3      LYS  10   6.669 -13.696  -4.305
   43    HG2  LYS  10           HG2      LYS  10   3.967 -14.938  -3.829
   44    HG3  LYS  10           HG3      LYS  10   5.481 -15.797  -4.122
   45    HD2  LYS  10           HD2      LYS  10   4.955 -13.955  -1.789
   46    HD3  LYS  10           HD3      LYS  10   4.869 -15.718  -1.729
   47    HE2  LYS  10           HE2      LYS  10   7.239 -15.822  -2.409
   48    HE3  LYS  10           HE3      LYS  10   7.306 -14.061  -2.378
   49    HZ1  LYS  10           HZ1      LYS  10   7.270 -15.956  -0.173
   50    HZ2  LYS  10           HZ2      LYS  10   6.370 -14.543   0.054
   51    HZ3  LYS  10           HZ3      LYS  10   8.023 -14.445  -0.291
   52    H    DBB  11           H        DBB  11   3.005 -12.981  -5.230
   53    HA   DBB  11           HA       DBB  11   1.316 -13.835  -3.166
   54    HB2  DBB  11           HB       DBB  11   1.069 -14.449  -5.449
   55    HG1  DBB  11          HG21      DBB  11  -1.331 -14.451  -5.548
   56    HG2  DBB  11          HG22      DBB  11  -1.399 -13.108  -4.405
   57    HG3  DBB  11          HG23      DBB  11  -0.776 -14.677  -3.890
   58    H    CYS  12           H        CYS  12  -0.499 -12.856  -2.092
   59    HA   CYS  12           HA       CYS  12  -1.167 -10.113  -2.604
   60    HB2  CYS  12           HB2      CYS  12  -2.061 -11.724  -0.219
   61    HB3  CYS  12           HB3      CYS  12  -2.896 -10.391  -1.010
   62    H    ALA  13           H        ALA  13   1.324  -9.752  -2.139
   63    HA   ALA  13           HA       ALA  13   1.499  -8.788   0.639
   64    HB1  ALA  13           HB1      ALA  13   3.825  -9.868  -0.942
   65    HB2  ALA  13           HB2      ALA  13   3.815  -9.372   0.751
   66    HB3  ALA  13           HB3      ALA  13   2.916 -10.802   0.246
   67    H    ALA  14           H        ALA  14   2.407  -8.357  -2.706
   68    HA   ALA  14           HA       ALA  14   2.267  -5.544  -2.649
   69    HB1  ALA  14           HB1      ALA  14   4.884  -6.722  -2.129
   70    HB2  ALA  14           HB2      ALA  14   4.820  -5.838  -3.650
   71    H    SER  15           H        SER  15   3.570  -8.400  -4.298
   72    HA   SER  15           HA       SER  15   3.435  -7.293  -6.907
   73    HB2  SER  15           HB2      SER  15   3.651  -9.684  -7.648
   74    HB3  SER  15           HB3      SER  15   4.893  -9.169  -6.506
   75    HG   SER  15           HG       SER  15   3.340 -11.236  -6.268
   76    H    CYS  16           H        CYS  16   1.516 -10.026  -5.669
   77    HA   CYS  16           HA       CYS  16  -0.582  -9.501  -7.561
   78    HB2  CYS  16           HB2      CYS  16  -0.773 -11.401  -5.233
   79    HB3  CYS  16           HB3      CYS  16  -1.576 -11.501  -6.796
   80    H    ALA  17           H        ALA  17  -2.775  -9.030  -7.044
   81    HA   ALA  17           HA       ALA  17  -3.057  -7.451  -4.574
   82    HB1  ALA  17           HB1      ALA  17  -3.226  -6.174  -6.681
   83    HB2  ALA  17           HB2      ALA  17  -4.614  -7.161  -7.139
   84    HB3  ALA  17           HB3      ALA  17  -4.705  -6.114  -5.723
   85    H    ALA  18           H        ALA  18  -3.643  -9.317  -3.381
   86    HA   ALA  18           HA       ALA  18  -6.053 -10.786  -4.036
   87    HB1  ALA  18           HB1      ALA  18  -4.820 -10.791  -1.313
   88    HB2  ALA  18           HB2      ALA  18  -5.644 -12.077  -2.188
   89    H    SER  19           H        SER  19  -5.104  -8.304  -1.680
   90    HA   SER  19           HA       SER  19  -7.579  -8.132  -0.357
   91    HB2  SER  19           HB2      SER  19  -5.478  -5.983  -0.729
   92    HB3  SER  19           HB3      SER  19  -6.775  -5.956   0.466
   93    HG   SER  19           HG       SER  19  -4.381  -7.095   0.657
  Start of MODEL   16
    1    H1   ALA   1           H        ALA   1   1.622  -1.708  -2.616
    2    HA   ALA   1           HA       ALA   1   2.162   1.095  -1.886
    3    HB1  ALA   1           HB1      ALA   1   2.438   0.146   0.489
    4    HB2  ALA   1           HB2      ALA   1   0.804   0.380  -0.135
    5    HB3  ALA   1           HB3      ALA   1   1.518  -1.233  -0.113
    6    H    CYS   2           H        CYS   2   3.349  -2.231  -1.929
    7    HA   CYS   2           HA       CYS   2   5.892  -1.882  -0.912
    8    HB2  CYS   2           HB2      CYS   2   4.637  -3.786  -2.809
    9    HB3  CYS   2           HB3      CYS   2   6.397  -3.725  -2.808
   10    H    GLY   3           H        GLY   3   5.377  -2.230  -4.415
   11    HA2  GLY   3           HA2      GLY   3   6.018  -0.421  -5.935
   12    HA3  GLY   3           HA3      GLY   3   7.316  -0.037  -4.815
   13    H    DBB   4           H        DBB   4   6.703  -3.376  -5.357
   14    HA   DBB   4           HA       DBB   4   8.153  -3.838  -7.666
   15    HB2  DBB   4           HB       DBB   4   6.811  -5.452  -6.551
   16    HG1  DBB   4          HG21      DBB   4   9.628  -6.383  -6.926
   17    HG2  DBB   4          HG22      DBB   4   8.433  -6.144  -8.202
   18    HG3  DBB   4          HG23      DBB   4   8.191  -7.402  -6.988
   19    H    GLY   5           H        GLY   5   9.551  -3.940  -4.339
   20    HA2  GLY   5           HA2      GLY   5  11.841  -2.518  -4.936
   21    HA3  GLY   5           HA3      GLY   5  11.734  -3.718  -3.656
   22    H    IAS   6           H        IAS   6  12.494  -5.854  -3.998
   23    HA   IAS   6           HA       IAS   6  14.243  -6.057  -6.346
   24    HB2  IAS   6           HB2      IAS   6  15.366  -6.596  -4.279
   25    HB3  IAS   6           HB3      IAS   6  15.213  -8.057  -5.253
   26    HXT  IAS   6           HD2      IAS   6  11.767  -9.136  -6.050
   27    H    GLY   7           H        GLY   7  13.766  -6.173  -2.624
   28    HA2  GLY   7           HA2      GLY   7  13.195  -8.677  -1.195
   29    HA3  GLY   7           HA3      GLY   7  13.355  -7.090  -0.457
   30    H    CYS   8           H        CYS   8  11.453  -7.699  -3.337
   31    HA   CYS   8           HA       CYS   8   9.094  -6.709  -1.961
   32    HB2  CYS   8           HB2      CYS   8   9.942  -6.115  -4.379
   33    HB3  CYS   8           HB3      CYS   8   9.082  -7.585  -4.824
   34    H    ALA   9           H        ALA   9   7.846  -8.089  -0.897
   35    HA   ALA   9           HA       ALA   9   7.920 -10.857  -1.049
   36    HB1  ALA   9           HB1      ALA   9   5.555  -9.178  -0.223
   37    HB2  ALA   9           HB2      ALA   9   5.867 -10.856   0.225
   38    HB3  ALA   9           HB3      ALA   9   6.928  -9.575   0.811
   39    H    LYS  10           H        LYS  10   6.249 -12.357  -1.790
   40    HA   LYS  10           HA       LYS  10   5.114 -11.491  -4.365
   41    HB2  LYS  10           HB2      LYS  10   5.206 -13.856  -5.028
   42    HB3  LYS  10           HB3      LYS  10   6.794 -13.243  -4.587
   43    HG2  LYS  10           HG2      LYS  10   6.925 -15.137  -3.399
   44    HG3  LYS  10           HG3      LYS  10   5.972 -14.240  -2.214
   45    HD2  LYS  10           HD2      LYS  10   4.667 -16.098  -2.377
   46    HD3  LYS  10           HD3      LYS  10   3.972 -15.166  -3.706
   47    HE2  LYS  10           HE2      LYS  10   6.285 -16.984  -4.221
   48    HE3  LYS  10           HE3      LYS  10   4.665 -17.660  -4.062
   49    HZ1  LYS  10           HZ1      LYS  10   4.150 -15.722  -5.760
   50    HZ2  LYS  10           HZ2      LYS  10   4.674 -17.246  -6.274
   51    HZ3  LYS  10           HZ3      LYS  10   5.775 -15.966  -6.164
   52    H    DBB  11           H        DBB  11   3.041 -12.366  -4.994
   53    HA   DBB  11           HA       DBB  11   1.460 -13.733  -3.048
   54    HB2  DBB  11           HB       DBB  11   1.209 -14.079  -5.386
   55    HG1  DBB  11          HG21      DBB  11  -1.229 -14.086  -5.477
   56    HG2  DBB  11          HG22      DBB  11  -1.266 -13.016  -4.075
   57    HG3  DBB  11          HG23      DBB  11  -0.598 -14.643  -3.929
   58    H    CYS  12           H        CYS  12  -0.386 -12.976  -1.852
   59    HA   CYS  12           HA       CYS  12  -1.171 -10.218  -2.019
   60    HB2  CYS  12           HB2      CYS  12  -1.994 -12.141   0.148
   61    HB3  CYS  12           HB3      CYS  12  -2.888 -10.765  -0.490
   62    H    ALA  13           H        ALA  13   1.326  -9.858  -1.503
   63    HA   ALA  13           HA       ALA  13   1.438  -9.168   1.356
   64    HB1  ALA  13           HB1      ALA  13   2.860 -11.084   1.085
   65    HB2  ALA  13           HB2      ALA  13   3.669 -10.342  -0.297
   66    HB3  ALA  13           HB3      ALA  13   3.872  -9.658   1.316
   67    H    ALA  14           H        ALA  14   2.443  -8.469  -1.913
   68    HA   ALA  14           HA       ALA  14   2.373  -5.658  -1.567
   69    HB1  ALA  14           HB1      ALA  14   4.937  -6.964  -1.203
   70    HB2  ALA  14           HB2      ALA  14   4.894  -6.015  -2.686
   71    H    SER  15           H        SER  15   3.727  -8.263  -3.592
   72    HA   SER  15           HA       SER  15   3.457  -6.901  -6.040
   73    HB2  SER  15           HB2      SER  15   3.642  -9.183  -7.059
   74    HB3  SER  15           HB3      SER  15   4.907  -8.826  -5.884
   75    HG   SER  15           HG       SER  15   3.743 -10.042  -4.357
   76    H    CYS  16           H        CYS  16   1.534  -9.722  -5.018
   77    HA   CYS  16           HA       CYS  16  -0.624  -8.928  -6.767
   78    HB2  CYS  16           HB2      CYS  16  -0.768 -11.183  -4.785
   79    HB3  CYS  16           HB3      CYS  16  -1.563 -11.037  -6.348
   80    H    ALA  17           H        ALA  17  -2.783  -8.536  -6.095
   81    HA   ALA  17           HA       ALA  17  -2.969  -7.439  -3.366
   82    HB1  ALA  17           HB1      ALA  17  -3.208  -5.957  -5.511
   83    HB2  ALA  17           HB2      ALA  17  -4.846  -6.611  -5.529
   84    HB3  ALA  17           HB3      ALA  17  -4.272  -5.708  -4.127
   85    H    ALA  18           H        ALA  18  -3.588  -9.465  -2.520
   86    HA   ALA  18           HA       ALA  18  -6.065 -10.712  -3.386
   87    HB1  ALA  18           HB1      ALA  18  -4.888 -11.408  -0.763
   88    HB2  ALA  18           HB2      ALA  18  -5.546 -12.435  -2.033
   89    H    SER  19           H        SER  19  -7.878  -9.659  -2.980
   90    HA   SER  19           HA       SER  19  -8.178  -8.293  -0.389
   91    HB2  SER  19           HB2      SER  19  -9.579  -6.722  -1.399
   92    HB3  SER  19           HB3      SER  19  -8.387  -7.030  -2.661
   93    HG   SER  19           HG       SER  19 -10.007  -8.706  -3.356
  Start of MODEL   17
    1    H1   ALA   1           H        ALA   1   0.792   2.389  -0.309
    2    HA   ALA   1           HA       ALA   1   0.239  -0.321  -1.091
    3    HB1  ALA   1           HB1      ALA   1   0.057   1.733  -2.571
    4    HB2  ALA   1           HB2      ALA   1   1.817   1.682  -2.680
    5    HB3  ALA   1           HB3      ALA   1   0.858   0.324  -3.268
    6    H    CYS   2           H        CYS   2   1.782  -1.846  -1.855
    7    HA   CYS   2           HA       CYS   2   4.026  -2.162  -0.187
    8    HB2  CYS   2           HB2      CYS   2   2.708  -3.965  -1.438
    9    HB3  CYS   2           HB3      CYS   2   3.673  -3.536  -2.847
   10    H    GLY   3           H        GLY   3   6.273  -2.193  -0.732
   11    HA2  GLY   3           HA2      GLY   3   7.068   0.077  -2.277
   12    HA3  GLY   3           HA3      GLY   3   8.139  -1.062  -1.474
   13    H    DBB   4           H        DBB   4   6.913  -3.364  -2.888
   14    HA   DBB   4           HA       DBB   4   7.047  -3.076  -5.640
   15    HB2  DBB   4           HB       DBB   4   6.183  -4.980  -4.508
   16    HG1  DBB   4          HG21      DBB   4   7.319  -6.742  -5.995
   17    HG2  DBB   4          HG22      DBB   4   8.249  -5.373  -6.606
   18    HG3  DBB   4          HG23      DBB   4   6.489  -5.377  -6.740
   19    H    GLY   5           H        GLY   5   9.801  -3.747  -3.442
   20    HA2  GLY   5           HA2      GLY   5  11.650  -2.323  -4.920
   21    HA3  GLY   5           HA3      GLY   5  12.063  -3.640  -3.833
   22    H    IAS   6           H        IAS   6  11.844  -5.910  -4.747
   23    HA   IAS   6           HA       IAS   6  12.608  -5.825  -7.593
   24    HB2  IAS   6           HB2      IAS   6  14.375  -6.817  -6.282
   25    HB3  IAS   6           HB3      IAS   6  13.617  -8.065  -7.269
   26    HXT  IAS   6           HD2      IAS   6  10.353  -6.675  -8.943
   27    H    GLY   7           H        GLY   7  12.610  -9.755  -6.201
   28    HA2  GLY   7           HA2      GLY   7  12.316 -11.270  -4.499
   29    HA3  GLY   7           HA3      GLY   7  13.481 -10.339  -3.570
   30    H    CYS   8           H        CYS   8  10.786  -8.582  -4.724
   31    HA   CYS   8           HA       CYS   8   9.937  -7.784  -2.189
   32    HB2  CYS   8           HB2      CYS   8   9.447  -6.825  -4.595
   33    HB3  CYS   8           HB3      CYS   8   8.004  -7.826  -4.472
   34    H    ALA   9           H        ALA   9   7.735  -8.124  -1.265
   35    HA   ALA   9           HA       ALA   9   7.322 -10.738  -0.491
   36    HB1  ALA   9           HB1      ALA   9   4.910  -9.034  -0.607
   37    HB2  ALA   9           HB2      ALA   9   5.594  -9.949   0.738
   38    HB3  ALA   9           HB3      ALA   9   6.290  -8.393   0.286
   39    H    LYS  10           H        LYS  10   5.659 -12.269  -0.973
   40    HA   LYS  10           HA       LYS  10   4.756 -12.134  -3.774
   41    HB2  LYS  10           HB2      LYS  10   5.734 -14.388  -2.070
   42    HB3  LYS  10           HB3      LYS  10   4.577 -14.732  -3.349
   43    HG2  LYS  10           HG2      LYS  10   6.199 -13.478  -4.887
   44    HG3  LYS  10           HG3      LYS  10   7.368 -13.671  -3.579
   45    HD2  LYS  10           HD2      LYS  10   6.597 -16.178  -3.686
   46    HD3  LYS  10           HD3      LYS  10   6.102 -15.736  -5.322
   47    HE2  LYS  10           HE2      LYS  10   8.291 -16.552  -5.548
   48    HE3  LYS  10           HE3      LYS  10   8.452 -14.798  -5.604
   49    HZ1  LYS  10           HZ1      LYS  10   8.646 -15.614  -2.935
   50    HZ2  LYS  10           HZ2      LYS  10   9.840 -14.907  -3.903
   51    HZ3  LYS  10           HZ3      LYS  10   9.684 -16.591  -3.847
   52    H    DBB  11           H        DBB  11   2.781 -13.649  -4.134
   53    HA   DBB  11           HA       DBB  11   0.994 -14.219  -2.104
   54    HB2  DBB  11           HB       DBB  11   0.838 -15.039  -4.330
   55    HG1  DBB  11          HG21      DBB  11  -1.671 -13.617  -3.544
   56    HG2  DBB  11          HG22      DBB  11  -1.069 -15.100  -2.803
   57    HG3  DBB  11          HG23      DBB  11  -1.554 -15.093  -4.500
   58    H    CYS  12           H        CYS  12  -0.788 -13.147  -1.116
   59    HA   CYS  12           HA       CYS  12  -1.482 -10.472  -1.926
   60    HB2  CYS  12           HB2      CYS  12  -3.085 -12.260  -1.033
   61    HB3  CYS  12           HB3      CYS  12  -2.444 -11.875   0.562
   62    H    ALA  13           H        ALA  13   1.027 -10.123  -1.389
   63    HA   ALA  13           HA       ALA  13   1.085  -8.858   1.271
   64    HB1  ALA  13           HB1      ALA  13   3.368 -10.282  -0.094
   65    HB2  ALA  13           HB2      ALA  13   3.477  -9.390   1.425
   66    HB3  ALA  13           HB3      ALA  13   2.483 -10.843   1.325
   67    H    ALA  14           H        ALA  14   2.140  -8.800  -2.056
   68    HA   ALA  14           HA       ALA  14   2.016  -6.026  -2.366
   69    HB1  ALA  14           HB1      ALA  14   4.617  -7.099  -1.509
   70    HB2  ALA  14           HB2      ALA  14   4.636  -6.266  -3.060
   71    H    SER  15           H        SER  15   3.452  -9.062  -3.471
   72    HA   SER  15           HA       SER  15   3.689  -8.332  -6.192
   73    HB2  SER  15           HB2      SER  15   4.954 -10.207  -5.373
   74    HB3  SER  15           HB3      SER  15   3.488 -11.037  -4.853
   75    HG   SER  15           HG       SER  15   4.412 -11.738  -6.912
   76    H    CYS  16           H        CYS  16   1.411 -10.700  -4.806
   77    HA   CYS  16           HA       CYS  16  -0.390 -10.334  -7.034
   78    HB2  CYS  16           HB2      CYS  16  -0.913 -11.950  -4.540
   79    HB3  CYS  16           HB3      CYS  16  -1.632 -12.155  -6.134
   80    H    ALA  17           H        ALA  17  -1.915  -8.836  -7.118
   81    HA   ALA  17           HA       ALA  17  -2.551  -7.190  -4.873
   82    HB1  ALA  17           HB1      ALA  17  -2.511  -6.344  -7.186
   83    HB2  ALA  17           HB2      ALA  17  -3.922  -7.335  -7.556
   84    HB3  ALA  17           HB3      ALA  17  -4.047  -6.028  -6.379
   85    H    ALA  18           H        ALA  18  -3.275  -8.902  -3.448
   86    HA   ALA  18           HA       ALA  18  -5.789 -10.235  -3.955
   87    HB1  ALA  18           HB1      ALA  18  -5.605 -11.061  -1.683
   88    HB2  ALA  18           HB2      ALA  18  -4.047 -11.217  -2.487
   89    H    SER  19           H        SER  19  -4.705  -7.414  -2.124
   90    HA   SER  19           HA       SER  19  -7.391  -6.863  -1.177
   91    HB2  SER  19           HB2      SER  19  -6.359  -4.925  -0.057
   92    HB3  SER  19           HB3      SER  19  -5.483  -6.413   0.301
   93    HG   SER  19           HG       SER  19  -3.862  -5.163  -0.286
  Start of MODEL   18
    1    H1   ALA   1           H        ALA   1   4.279   0.412   2.636
    2    HA   ALA   1           HA       ALA   1   1.898  -0.161   0.995
    3    HB1  ALA   1           HB1      ALA   1   2.421   2.100   0.656
    4    HB2  ALA   1           HB2      ALA   1   4.154   1.776   0.579
    5    HB3  ALA   1           HB3      ALA   1   3.101   1.264  -0.740
    6    H    CYS   2           H        CYS   2   2.528  -0.846  -1.304
    7    HA   CYS   2           HA       CYS   2   4.981  -2.367  -1.508
    8    HB2  CYS   2           HB2      CYS   2   2.589  -3.628  -0.616
    9    HB3  CYS   2           HB3      CYS   2   2.917  -4.194  -2.251
   10    H    GLY   3           H        GLY   3   5.669  -2.478  -3.569
   11    HA2  GLY   3           HA2      GLY   3   3.759  -2.270  -5.762
   12    HA3  GLY   3           HA3      GLY   3   4.907  -0.949  -5.604
   13    H    DBB   4           H        DBB   4   5.933  -4.119  -4.681
   14    HA   DBB   4           HA       DBB   4   7.132  -4.535  -7.308
   15    HB2  DBB   4           HB       DBB   4   5.928  -6.319  -6.299
   16    HG1  DBB   4          HG21      DBB   4   8.808  -7.090  -6.401
   17    HG2  DBB   4          HG22      DBB   4   7.878  -6.643  -7.832
   18    HG3  DBB   4          HG23      DBB   4   7.408  -8.050  -6.875
   19    H    GLY   5           H        GLY   5   9.450  -5.073  -7.572
   20    HA2  GLY   5           HA2      GLY   5  11.608  -4.196  -7.289
   21    HA3  GLY   5           HA3      GLY   5  11.104  -3.511  -5.751
   22    H    IAS   6           H        IAS   6  13.107  -5.765  -7.122
   23    HA   IAS   6           HA       IAS   6  14.098  -7.672  -6.340
   24    HB2  IAS   6           HB2      IAS   6  15.203  -5.947  -5.017
   25    HB3  IAS   6           HB3      IAS   6  15.055  -7.442  -4.094
   26    HXT  IAS   6           HD2      IAS   6  11.500  -9.327  -6.111
   27    H    GLY   7           H        GLY   7  13.044  -7.452  -2.654
   28    HA2  GLY   7           HA2      GLY   7  12.772  -6.221  -0.533
   29    HA3  GLY   7           HA3      GLY   7  12.669  -4.757  -1.500
   30    H    CYS   8           H        CYS   8  11.118  -7.677  -2.567
   31    HA   CYS   8           HA       CYS   8   8.522  -6.714  -1.599
   32    HB2  CYS   8           HB2      CYS   8   9.021  -5.956  -3.994
   33    HB3  CYS   8           HB3      CYS   8   8.888  -7.654  -4.440
   34    H    ALA   9           H        ALA   9   7.060  -8.297  -1.113
   35    HA   ALA   9           HA       ALA   9   8.101 -11.018  -1.056
   36    HB1  ALA   9           HB1      ALA   9   5.705  -9.746   0.253
   37    HB2  ALA   9           HB2      ALA   9   6.115 -11.456   0.395
   38    HB3  ALA   9           HB3      ALA   9   7.219 -10.230   1.018
   39    H    LYS  10           H        LYS  10   6.003 -12.633  -1.152
   40    HA   LYS  10           HA       LYS  10   4.915 -12.218  -3.856
   41    HB2  LYS  10           HB2      LYS  10   6.456 -14.267  -3.078
   42    HB3  LYS  10           HB3      LYS  10   4.890 -14.917  -2.611
   43    HG2  LYS  10           HG2      LYS  10   4.194 -15.160  -4.754
   44    HG3  LYS  10           HG3      LYS  10   5.112 -13.766  -5.328
   45    HD2  LYS  10           HD2      LYS  10   6.588 -16.179  -4.384
   46    HD3  LYS  10           HD3      LYS  10   5.822 -16.215  -5.974
   47    HE2  LYS  10           HE2      LYS  10   7.729 -14.067  -5.059
   48    HE3  LYS  10           HE3      LYS  10   8.211 -15.485  -5.989
   49    HZ1  LYS  10           HZ1      LYS  10   6.707 -13.131  -6.834
   50    HZ2  LYS  10           HZ2      LYS  10   6.273 -14.610  -7.531
   51    HZ3  LYS  10           HZ3      LYS  10   7.858 -14.039  -7.678
   52    H    DBB  11           H        DBB  11   2.825 -13.655  -4.147
   53    HA   DBB  11           HA       DBB  11   1.140 -14.074  -1.963
   54    HB2  DBB  11           HB       DBB  11   0.842 -15.050  -4.110
   55    HG1  DBB  11          HG21      DBB  11  -1.527 -15.073  -4.138
   56    HG2  DBB  11          HG22      DBB  11  -1.602 -13.491  -3.362
   57    HG3  DBB  11          HG23      DBB  11  -0.985 -14.884  -2.471
   58    H    CYS  12           H        CYS  12  -0.774 -12.898  -1.199
   59    HA   CYS  12           HA       CYS  12  -1.422 -10.310  -2.106
   60    HB2  CYS  12           HB2      CYS  12  -2.053 -11.725   0.489
   61    HB3  CYS  12           HB3      CYS  12  -2.738 -10.168   0.034
   62    H    ALA  13           H        ALA  13   1.154 -11.393  -0.229
   63    HA   ALA  13           HA       ALA  13   1.609  -9.512   1.700
   64    HB1  ALA  13           HB1      ALA  13   3.050 -11.499   1.084
   65    HB2  ALA  13           HB2      ALA  13   3.793 -10.463  -0.135
   66    HB3  ALA  13           HB3      ALA  13   3.906 -10.037   1.573
   67    H    ALA  14           H        ALA  14   2.197  -9.199  -1.749
   68    HA   ALA  14           HA       ALA  14   1.745  -6.459  -1.925
   69    HB1  ALA  14           HB1      ALA  14   4.563  -7.273  -1.436
   70    HB2  ALA  14           HB2      ALA  14   4.248  -6.193  -2.791
   71    H    SER  15           H        SER  15   3.726  -9.073  -3.320
   72    HA   SER  15           HA       SER  15   3.721  -8.331  -5.961
   73    HB2  SER  15           HB2      SER  15   4.984 -10.250  -5.273
   74    HB3  SER  15           HB3      SER  15   3.526 -11.095  -4.752
   75    HG   SER  15           HG       SER  15   4.497 -11.602  -6.920
   76    H    CYS  16           H        CYS  16   1.531 -10.909  -4.880
   77    HA   CYS  16           HA       CYS  16  -0.285 -10.464  -7.015
   78    HB2  CYS  16           HB2      CYS  16  -0.868 -11.965  -4.460
   79    HB3  CYS  16           HB3      CYS  16  -1.617 -12.194  -6.037
   80    H    ALA  17           H        ALA  17  -1.965  -9.126  -7.176
   81    HA   ALA  17           HA       ALA  17  -2.512  -7.250  -5.075
   82    HB1  ALA  17           HB1      ALA  17  -2.730  -6.211  -7.095
   83    HB2  ALA  17           HB2      ALA  17  -3.419  -7.633  -7.879
   84    HB3  ALA  17           HB3      ALA  17  -4.414  -6.649  -6.806
   85    H    ALA  18           H        ALA  18  -3.138  -8.965  -3.538
   86    HA   ALA  18           HA       ALA  18  -5.540 -10.449  -3.786
   87    HB1  ALA  18           HB1      ALA  18  -3.955  -9.498  -1.402
   88    HB2  ALA  18           HB2      ALA  18  -5.511 -10.309  -1.248
   89    H    SER  19           H        SER  19  -4.873  -7.179  -2.652
   90    HA   SER  19           HA       SER  19  -7.709  -6.757  -2.077
   91    HB2  SER  19           HB2      SER  19  -6.535  -5.781  -0.347
   92    HB3  SER  19           HB3      SER  19  -5.182  -5.323  -1.381
   93    HG   SER  19           HG       SER  19  -7.658  -4.044  -1.016
  Start of MODEL   19
    1    H1   ALA   1           H        ALA   1   6.975   0.741   1.217
    2    HA   ALA   1           HA       ALA   1   4.365  -0.023   0.510
    3    HB1  ALA   1           HB1      ALA   1   4.701   1.327  -1.825
    4    HB2  ALA   1           HB2      ALA   1   3.677   1.863  -0.492
    5    HB3  ALA   1           HB3      ALA   1   5.316   2.494  -0.654
    6    H    CYS   2           H        CYS   2   4.323  -1.518  -1.197
    7    HA   CYS   2           HA       CYS   2   6.944  -2.603  -1.861
    8    HB2  CYS   2           HB2      CYS   2   4.437  -3.736  -1.272
    9    HB3  CYS   2           HB3      CYS   2   4.737  -4.094  -2.970
   10    H    GLY   3           H        GLY   3   7.767  -1.325  -3.477
   11    HA2  GLY   3           HA2      GLY   3   6.225  -0.466  -5.723
   12    HA3  GLY   3           HA3      GLY   3   7.972  -0.365  -5.562
   13    H    DBB   4           H        DBB   4   8.081  -3.323  -5.015
   14    HA   DBB   4           HA       DBB   4   7.230  -4.386  -7.582
   15    HB2  DBB   4           HB       DBB   4   6.804  -5.609  -5.589
   16    HG1  DBB   4          HG21      DBB   4   8.557  -7.575  -6.669
   17    HG2  DBB   4          HG22      DBB   4   7.882  -6.580  -7.960
   18    HG3  DBB   4          HG23      DBB   4   6.809  -7.419  -6.837
   19    H    GLY   5           H        GLY   5  10.388  -4.180  -5.852
   20    HA2  GLY   5           HA2      GLY   5  11.932  -5.131  -7.997
   21    HA3  GLY   5           HA3      GLY   5  11.782  -3.388  -8.156
   22    H    IAS   6           H        IAS   6  12.087  -5.423  -5.207
   23    HA   IAS   6           HA       IAS   6  14.237  -3.713  -4.295
   24    HB2  IAS   6           HB2      IAS   6  12.723  -4.570  -2.610
   25    HB3  IAS   6           HB3      IAS   6  14.347  -5.193  -2.322
   26    HXT  IAS   6           HD2      IAS   6  15.619  -6.760  -6.174
   27    H    GLY   7           H        GLY   7  13.441  -6.890  -1.082
   28    HA2  GLY   7           HA2      GLY   7  12.682  -9.203  -2.608
   29    HA3  GLY   7           HA3      GLY   7  12.879  -9.122  -0.863
   30    H    CYS   8           H        CYS   8  10.683  -7.946  -3.412
   31    HA   CYS   8           HA       CYS   8   8.474  -7.568  -1.703
   32    HB2  CYS   8           HB2      CYS   8   8.397  -8.166  -4.666
   33    HB3  CYS   8           HB3      CYS   8   7.157  -7.350  -3.718
   34    H    ALA   9           H        ALA   9   7.311  -9.037  -0.670
   35    HA   ALA   9           HA       ALA   9   7.571 -11.822  -1.127
   36    HB1  ALA   9           HB1      ALA   9   5.852 -10.128   0.627
   37    HB2  ALA   9           HB2      ALA   9   5.481 -11.842   0.439
   38    HB3  ALA   9           HB3      ALA   9   7.054 -11.343   1.063
   39    H    LYS  10           H        LYS  10   5.518 -13.215  -1.351
   40    HA   LYS  10           HA       LYS  10   4.165 -12.347  -3.792
   41    HB2  LYS  10           HB2      LYS  10   4.358 -15.054  -2.461
   42    HB3  LYS  10           HB3      LYS  10   3.462 -14.740  -3.942
   43    HG2  LYS  10           HG2      LYS  10   6.415 -14.259  -3.623
   44    HG3  LYS  10           HG3      LYS  10   5.710 -15.731  -4.296
   45    HD2  LYS  10           HD2      LYS  10   4.723 -14.493  -6.107
   46    HD3  LYS  10           HD3      LYS  10   5.226 -12.961  -5.389
   47    HE2  LYS  10           HE2      LYS  10   7.582 -13.651  -5.656
   48    HE3  LYS  10           HE3      LYS  10   7.037 -15.128  -6.450
   49    HZ1  LYS  10           HZ1      LYS  10   6.617 -12.351  -7.412
   50    HZ2  LYS  10           HZ2      LYS  10   5.972 -13.730  -8.149
   51    HZ3  LYS  10           HZ3      LYS  10   7.648 -13.507  -8.091
   52    H    DBB  11           H        DBB  11   1.835 -13.537  -3.893
   53    HA   DBB  11           HA       DBB  11   0.288 -13.725  -1.612
   54    HB2  DBB  11           HB       DBB  11  -0.362 -14.482  -3.770
   55    HG1  DBB  11          HG21      DBB  11  -2.691 -14.078  -3.577
   56    HG2  DBB  11          HG22      DBB  11  -2.406 -12.571  -2.705
   57    HG3  DBB  11          HG23      DBB  11  -1.986 -14.116  -1.962
   58    H    CYS  12           H        CYS  12  -1.186 -12.300  -0.498
   59    HA   CYS  12           HA       CYS  12  -1.329  -9.528  -1.239
   60    HB2  CYS  12           HB2      CYS  12  -3.117 -11.048  -0.062
   61    HB3  CYS  12           HB3      CYS  12  -2.279 -10.561   1.408
   62    H    ALA  13           H        ALA  13   1.224  -9.698  -1.004
   63    HA   ALA  13           HA       ALA  13   1.864  -8.551   1.633
   64    HB1  ALA  13           HB1      ALA  13   3.879 -10.115   0.059
   65    HB2  ALA  13           HB2      ALA  13   3.885  -9.699   1.774
   66    HB3  ALA  13           HB3      ALA  13   2.762 -10.915   1.165
   67    H    ALA  14           H        ALA  14   2.504  -8.622  -1.798
   68    HA   ALA  14           HA       ALA  14   2.954  -5.863  -2.052
   69    HB1  ALA  14           HB1      ALA  14   5.315  -7.466  -1.505
   70    HB2  ALA  14           HB2      ALA  14   5.321  -6.812  -3.139
   71    H    SER  15           H        SER  15   3.405  -9.098  -3.390
   72    HA   SER  15           HA       SER  15   3.367  -8.274  -6.115
   73    HB2  SER  15           HB2      SER  15   3.082 -10.919  -4.715
   74    HB3  SER  15           HB3      SER  15   2.800 -10.790  -6.451
   75    HG   SER  15           HG       SER  15   4.875 -10.801  -6.694
   76    H    CYS  16           H        CYS  16   0.980 -10.358  -4.492
   77    HA   CYS  16           HA       CYS  16  -1.078  -9.564  -6.326
   78    HB2  CYS  16           HB2      CYS  16  -1.485 -11.106  -3.767
   79    HB3  CYS  16           HB3      CYS  16  -2.456 -11.159  -5.235
   80    H    ALA  17           H        ALA  17  -3.193  -8.741  -5.599
   81    HA   ALA  17           HA       ALA  17  -2.811  -6.585  -3.649
   82    HB1  ALA  17           HB1      ALA  17  -3.638  -6.246  -6.086
   83    HB2  ALA  17           HB2      ALA  17  -5.190  -6.791  -5.448
   84    HB3  ALA  17           HB3      ALA  17  -4.414  -5.358  -4.775
   85    H    ALA  18           H        ALA  18  -3.818  -9.611  -3.535
   86    HA   ALA  18           HA       ALA  18  -5.307 -10.862  -2.318
   87    HB1  ALA  18           HB1      ALA  18  -5.811  -8.843  -0.278
   88    HB2  ALA  18           HB2      ALA  18  -5.126 -10.459  -0.138
   89    H    SER  19           H        SER  19  -7.021 -10.896  -3.720
   90    HA   SER  19           HA       SER  19  -8.848  -8.848  -4.190
   91    HB2  SER  19           HB2      SER  19 -10.398 -10.730  -4.904
   92    HB3  SER  19           HB3      SER  19  -8.817 -10.709  -5.684
   93    HG   SER  19           HG       SER  19  -9.449 -12.804  -4.930
  Start of MODEL   20
    1    H1   ALA   1           H        ALA   1   0.649   1.227  -2.707
    2    HA   ALA   1           HA       ALA   1   3.391   1.175  -2.599
    3    HB1  ALA   1           HB1      ALA   1   3.158   1.239  -0.355
    4    HB2  ALA   1           HB2      ALA   1   1.459   1.486  -0.759
    5    HB3  ALA   1           HB3      ALA   1   2.036  -0.122  -0.322
    6    H    CYS   2           H        CYS   2   4.922  -0.426  -1.933
    7    HA   CYS   2           HA       CYS   2   5.958  -2.445  -2.078
    8    HB2  CYS   2           HB2      CYS   2   3.812  -2.916  -0.548
    9    HB3  CYS   2           HB3      CYS   2   3.406  -3.962  -1.905
   10    H    GLY   3           H        GLY   3   5.168  -1.179  -4.487
   11    HA2  GLY   3           HA2      GLY   3   4.069  -3.187  -6.250
   12    HA3  GLY   3           HA3      GLY   3   4.662  -1.599  -6.714
   13    H    DBB   4           H        DBB   4   6.077  -4.538  -5.246
   14    HA   DBB   4           HA       DBB   4   7.885  -4.697  -7.509
   15    HB2  DBB   4           HB       DBB   4   6.783  -6.647  -6.712
   16    HG1  DBB   4          HG21      DBB   4   9.729  -6.883  -6.269
   17    HG2  DBB   4          HG22      DBB   4   8.962  -6.738  -7.851
   18    HG3  DBB   4          HG23      DBB   4   8.635  -8.144  -6.835
   19    H    GLY   5           H        GLY   5  10.238  -4.751  -7.352
   20    HA2  GLY   5           HA2      GLY   5  11.819  -3.031  -6.424
   21    HA3  GLY   5           HA3      GLY   5  11.266  -3.570  -4.846
   22    H    IAS   6           H        IAS   6  12.453  -5.085  -3.808
   23    HA   IAS   6           HA       IAS   6  14.482  -6.473  -5.397
   24    HB2  IAS   6           HB2      IAS   6  15.327  -5.523  -3.346
   25    HB3  IAS   6           HB3      IAS   6  15.379  -7.282  -3.234
   26    HXT  IAS   6           HD2      IAS   6  12.072  -8.868  -5.843
   27    H    GLY   7           H        GLY   7  13.266  -8.162  -2.187
   28    HA2  GLY   7           HA2      GLY   7  12.822  -8.139   0.254
   29    HA3  GLY   7           HA3      GLY   7  12.558  -6.410   0.086
   30    H    CYS   8           H        CYS   8  11.137  -6.815  -2.494
   31    HA   CYS   8           HA       CYS   8   8.517  -6.850  -1.540
   32    HB2  CYS   8           HB2      CYS   8   9.218  -5.864  -3.706
   33    HB3  CYS   8           HB3      CYS   8   9.450  -7.487  -4.347
   34    H    ALA   9           H        ALA   9   7.353  -8.464  -0.757
   35    HA   ALA   9           HA       ALA   9   8.142 -11.204  -1.118
   36    HB1  ALA   9           HB1      ALA   9   5.997  -9.813   0.430
   37    HB2  ALA   9           HB2      ALA   9   5.936 -11.562   0.205
   38    HB3  ALA   9           HB3      ALA   9   7.322 -10.823   1.008
   39    H    LYS  10           H        LYS  10   6.015 -12.724  -1.380
   40    HA   LYS  10           HA       LYS  10   4.848 -11.946  -3.972
   41    HB2  LYS  10           HB2      LYS  10   5.769 -14.597  -2.905
   42    HB3  LYS  10           HB3      LYS  10   4.571 -14.521  -4.189
   43    HG2  LYS  10           HG2      LYS  10   7.126 -13.011  -4.474
   44    HG3  LYS  10           HG3      LYS  10   7.097 -14.752  -4.761
   45    HD2  LYS  10           HD2      LYS  10   5.011 -13.074  -6.059
   46    HD3  LYS  10           HD3      LYS  10   6.652 -13.015  -6.707
   47    HE2  LYS  10           HE2      LYS  10   6.603 -15.506  -6.850
   48    HE3  LYS  10           HE3      LYS  10   4.905 -15.451  -6.379
   49    HZ1  LYS  10           HZ1      LYS  10   4.316 -14.948  -8.443
   50    HZ2  LYS  10           HZ2      LYS  10   5.904 -15.272  -8.927
   51    HZ3  LYS  10           HZ3      LYS  10   5.442 -13.689  -8.549
   52    H    DBB  11           H        DBB  11   2.773 -13.353  -4.405
   53    HA   DBB  11           HA       DBB  11   1.187 -14.214  -2.298
   54    HB2  DBB  11           HB       DBB  11   0.781 -14.689  -4.591
   55    HG1  DBB  11          HG21      DBB  11  -1.572 -14.759  -4.495
   56    HG2  DBB  11          HG22      DBB  11  -1.633 -13.351  -3.434
   57    HG3  DBB  11          HG23      DBB  11  -0.964 -14.875  -2.845
   58    H    CYS  12           H        CYS  12  -0.438 -13.268  -0.974
   59    HA   CYS  12           HA       CYS  12  -1.168 -10.512  -1.314
   60    HB2  CYS  12           HB2      CYS  12  -1.810 -12.456   0.915
   61    HB3  CYS  12           HB3      CYS  12  -2.549 -10.873   0.704
   62    H    ALA  13           H        ALA  13   1.364 -10.165  -1.109
   63    HA   ALA  13           HA       ALA  13   1.827  -9.271   1.658
   64    HB1  ALA  13           HB1      ALA  13   3.912 -10.443  -0.181
   65    HB2  ALA  13           HB2      ALA  13   4.185  -9.829   1.451
   66    HB3  ALA  13           HB3      ALA  13   3.186 -11.260   1.203
   67    H    ALA  14           H        ALA  14   2.418  -8.790  -1.751
   68    HA   ALA  14           HA       ALA  14   2.254  -6.007  -1.715
   69    HB1  ALA  14           HB1      ALA  14   4.954  -7.123  -1.315
   70    HB2  ALA  14           HB2      ALA  14   4.771  -6.077  -2.719
   71    H    SER  15           H        SER  15   3.651  -8.831  -3.340
   72    HA   SER  15           HA       SER  15   3.555  -7.795  -5.957
   73    HB2  SER  15           HB2      SER  15   4.906  -9.735  -5.504
   74    HB3  SER  15           HB3      SER  15   3.503 -10.644  -4.940
   75    HG   SER  15           HG       SER  15   4.421 -10.728  -7.312
   76    H    CYS  16           H        CYS  16   1.387 -10.207  -4.464
   77    HA   CYS  16           HA       CYS  16  -0.635  -9.639  -6.476
   78    HB2  CYS  16           HB2      CYS  16  -0.880 -11.571  -4.173
   79    HB3  CYS  16           HB3      CYS  16  -1.762 -11.581  -5.697
   80    H    ALA  17           H        ALA  17  -2.471  -8.522  -6.149
   81    HA   ALA  17           HA       ALA  17  -2.739  -6.666  -4.129
   82    HB1  ALA  17           HB1      ALA  17  -5.251  -6.768  -4.787
   83    HB2  ALA  17           HB2      ALA  17  -4.058  -6.247  -5.978
   84    HB3  ALA  17           HB3      ALA  17  -4.694  -7.891  -6.028
   85    H    ALA  18           H        ALA  18  -4.677  -9.622  -4.415
   86    HA   ALA  18           HA       ALA  18  -5.731 -10.945  -2.884
   87    HB1  ALA  18           HB1      ALA  18  -3.276 -10.087  -1.517
   88    HB2  ALA  18           HB2      ALA  18  -4.644 -10.377  -0.447
   89    H    SER  19           H        SER  19  -6.264  -7.957  -3.262
   90    HA   SER  19           HA       SER  19  -7.692  -7.387  -0.768
   91    HB2  SER  19           HB2      SER  19  -6.572  -5.444  -1.300
   92    HB3  SER  19           HB3      SER  19  -6.692  -5.724  -3.037
   93    HG   SER  19           HG       SER  19  -8.054  -4.004  -2.140