*HEADER    METAL BINDING PROTEIN                   22-JAN-00   1DVW              
*TITLE     NMR STRUCTURE OF 18 RESIDUE PEPTIDE FROM MERP PROTEIN                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 18 RESIDUE PEPTIDE FROM MERP PROTEIN;                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: SYNTHETIC                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: 18 RESIDUE SYNTHETIC PEPTIDE                          
*KEYWDS    TURN                                                                  
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    G.VEGLIA, F.PORCELLI, T. M.DE SILVA, A. M.PRANTNER, S.                
*AUTHOR   2 J.OPELLA                                                             
*REVDAT   1   23-DEC-03 1DVW    0                                                

{  NOE Restraints }

{ Beginning NOE class MED}
classification MED

assign (resid   17   and name HA    ) (resid   18   and name HN    )   2.92  1.02  0.08
assign (resid    5   and name HA    ) (resid    6   and name HN    )   2.75  0.85  0.25
assign (resid    5   and name HA    ) (resid    6   and name HN    )   2.75  0.85  0.25
assign (resid    9   and name HA    ) (resid   10   and name HN    )   2.96  1.06  0.04
assign (resid    3   and name HA    ) (resid    4   and name HN    )   2.70  0.80  0.30
assign (resid    7   and name HA    ) (resid    8   and name HN    )   2.91  1.01  0.09
assign (resid   16   and name HA    ) (resid   17   and name HN    )   2.68  0.78  0.32
assign (resid    6   and name HA1   ) (resid    6   and name HN    )   2.96  1.06  0.04
assign (resid    6   and name HA1   ) (resid    7   and name HN    )   2.89  0.99  0.11


{ Beginning NOE class WEAK}
classification WEAK

assign (resid    8   and name HB    ) (resid    8   and name HN    )   3.78  1.88  1.22
assign (resid    9   and name HA    ) (resid   11   and name HB+   )   4.10  2.20  0.90
assign (resid    9   and name HA    ) (resid    9   and name HN    )   3.36  1.46  1.64
assign (resid    9   and name HB1   ) (resid   12   and name HN    )   4.10  2.20  0.90
assign (resid    8   and name HA    ) (resid    8   and name HN    )   3.29  1.39  1.71
assign (resid    7   and name HB2   ) (resid    7   and name HN    )   3.62  1.72  1.38
assign (resid    7   and name HB2   ) (resid    8   and name HN    )   4.18  2.28  0.82
assign (resid    7   and name HN    ) (resid    8   and name HN    )   4.01  2.11  0.99
assign (resid    8   and name HA    ) (resid    8   and name HB    )   3.69  1.79  1.31
assign (resid    8   and name HA    ) (resid    9   and name HN    )   3.19  1.29  1.81
assign (resid    8   and name HB    ) (resid    7   and name HN    )   3.39  1.49  1.61
assign (resid    8   and name HB    ) (resid    9   and name HN    )   4.03  2.13  0.97
assign (resid   12   and name HN    ) (resid    9   and name HB2   )   4.60  2.70  0.40
assign (resid   14   and name HG2+  ) (resid   15   and name HN    )   4.20  2.30  1.80
assign (resid   14   and name HG2+  ) (resid   11   and name HN    )   4.12  2.22  1.88
assign (resid    8   and name HG2+  ) (resid    8   and name HN    )   3.65  1.75  2.35
assign (resid    8   and name HG1   ) (resid    8   and name HN    )   3.65  1.75  1.35
assign (resid   11   and name HN    ) (resid   13   and name HG1   )   3.44  1.54  1.56
assign (resid    9   and name HB1   ) (resid   11   and name HN    )   4.09  2.19  0.91
assign (resid   12   and name HN    ) (resid    9   and name HB1   )   4.60  2.70  0.40
assign (resid    6   and name HN    ) (resid    6   and name HA1   )   3.06  1.16  1.94
assign (resid   11   and name HN    ) (resid   13   and name HG2   )   3.44  1.54  1.56
assign (resid   13   and name HB2   ) (resid   14   and name HN    )   3.59  1.69  1.41
assign (resid   10   and name HB+   ) (resid   10   and name HN    )   3.71  1.81  2.29
assign (resid   10   and name HN    ) (resid   11   and name HN    )   3.93  2.03  1.07
assign (resid    9   and name HB2   ) (resid   11   and name HN    )   4.09  2.19  0.91
assign (resid    9   and name HB2   ) (resid   12   and name HN    )   4.10  2.20  0.90
assign (resid   13   and name HB1   ) (resid    9   and name HN    )   4.61  2.71  0.39
assign (resid   13   and name HB2   ) (resid   14   and name HN    )   3.59  1.69  1.41
assign (resid    7   and name HB2   ) (resid    8   and name HN    )   4.18  2.28  0.82
assign (resid    7   and name HG1   ) (resid    7   and name HN    )   4.19  2.29  0.81
assign (resid   13   and name HB2   ) (resid    9   and name HN    )   4.61  2.71  0.39
assign (resid    6   and name HN    ) (resid    7   and name HN    )   3.93  2.03  1.07
assign (resid   13   and name HA    ) (resid   16   and name HN    )   3.36  1.46  1.64
assign (resid   14   and name HA    ) (resid   14   and name HN    )   3.58  1.68  1.42
assign (resid   14   and name HA    ) (resid   15   and name HB    )   3.69  1.79  1.31
assign (resid   14   and name HA    ) (resid   12   and name HA    )   3.69  1.79  1.31
assign (resid   15   and name HA    ) (resid   15   and name HN    )   3.50  1.60  1.50
assign (resid   15   and name HA    ) (resid   18   and name HN    )   4.51  1.61  1.49
assign (resid   15   and name HA    ) (resid   14   and name HN    )   3.05  1.15  1.95
assign (resid   12   and name HA    ) (resid   12   and name HN    )   3.63  1.73  1.37
assign (resid   10   and name HB+   ) (resid   10   and name HN    )   3.71  1.81  2.29
assign (resid   11   and name HA    ) (resid   11   and name HN    )   3.36  1.46  1.64
assign (resid    7   and name HN    ) (resid    8   and name HN    )   4.01  2.11  0.99
assign (resid   11   and name HN    ) (resid   12   and name HN    )   4.08  2.18  0.92
assign (resid   12   and name HA    ) (resid   16   and name HN    )   4.18  2.28  0.82
assign (resid   12   and name HA    ) (resid    9   and name HN    )   4.00  2.10  1.00
assign (resid   12   and name HA    ) (resid   11   and name HN    )   3.39  1.49  1.61
assign (resid   12   and name HA    ) (resid    8   and name HN    )   3.78  1.88  1.22
assign (resid   15   and name HA    ) (resid   17   and name HN    )   4.36  2.46  0.64
assign (resid    3   and name HA    ) (resid    3   and name HN    )   3.36  1.46  1.64
assign (resid    4   and name HA    ) (resid    4   and name HN    )   3.32  1.42  1.68
assign (resid    4   and name HN    ) (resid    3   and name HN    )   4.33  2.43  0.67
assign (resid    5   and name HB1   ) (resid    6   and name HN    )   4.18  2.28  0.82
assign (resid    7   and name HA    ) (resid    4   and name HN    )   4.43  2.53  0.57
assign (resid    7   and name HA    ) (resid    7   and name HN    )   3.31  1.41  1.69
assign (resid    7   and name HA    ) (resid    7   and name HB1   )   3.73  1.83  1.27
assign (resid    5   and name HB2   ) (resid    6   and name HN    )   4.18  2.28  0.82
assign (resid   18   and name HA    ) (resid   18   and name HN    )   3.58  1.68  1.42
assign (resid   15   and name HB    ) (resid   12   and name HN    )   3.90  2.00  1.10
assign (resid   15   and name HB    ) (resid   16   and name HN    )   4.18  2.28  0.82
assign (resid   16   and name HA    ) (resid   16   and name HN    )   3.43  1.53  1.57
assign (resid   16   and name HB    ) (resid   16   and name HN    )   3.70  1.80  1.30
assign (resid   17   and name HA    ) (resid   15   and name HN    )   4.10  2.20  0.90
assign (resid   17   and name HA    ) (resid   18   and name HA    )   3.69  1.79  1.31
assign (resid   17   and name HA    ) (resid   14   and name HN    )   3.45  1.55  1.55
assign (resid   17   and name HA    ) (resid   17   and name HN    )   3.50  1.60  1.50


end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   1           HT1      THR   1   8.433   1.647   7.692
    2   2H    THR   1           HT2      THR   1  10.088   1.465   7.355
    3   3H    THR   1           HT3      THR   1   8.948   1.387   6.098
    4    HA   THR   1           HA       THR   1   9.167   3.836   7.735
    5    HB   THR   1           HB       THR   1  11.436   3.124   7.000
    6    HG1  THR   1           HG1      THR   1  11.758   5.149   6.630
    7   1HG2  THR   1          HG21      THR   1  10.599   3.489   4.150
    8   2HG2  THR   1          HG22      THR   1  10.299   1.933   4.925
    9   3HG2  THR   1          HG23      THR   1  11.944   2.559   4.811
   10    H    LEU   2           HN       LEU   2   7.025   4.402   7.167
   11    HA   LEU   2           HA       LEU   2   5.259   5.104   5.756
   12   1HB   LEU   2          HB2       LEU   2   7.658   5.708   3.994
   13   2HB   LEU   2          HB1       LEU   2   6.077   6.486   3.900
   14    HG   LEU   2           HG       LEU   2   7.997   6.597   6.244
   15   1HD1  LEU   2          HD11      LEU   2   8.753   8.511   5.329
   16   2HD1  LEU   2          HD12      LEU   2   7.108   9.124   5.158
   17   3HD1  LEU   2          HD13      LEU   2   7.817   8.134   3.882
   18   1HD2  LEU   2          HD21      LEU   2   5.663   6.517   7.008
   19   2HD2  LEU   2          HD22      LEU   2   5.232   7.794   5.871
   20   3HD2  LEU   2          HD23      LEU   2   6.310   8.143   7.222
   21    H    ALA   3           HN       ALA   3   5.692   5.048   2.737
   22    HA   ALA   3           HA       ALA   3   4.390   2.612   2.121
   23   1HB   ALA   3          HB1       ALA   3   5.065   4.908   0.830
   24   2HB   ALA   3          HB2       ALA   3   4.488   3.467  -0.006
   25   3HB   ALA   3          HB3       ALA   3   6.218   3.792   0.100
   26    H    VAL   4           HN       VAL   4   5.210   0.652   1.173
   27    HA   VAL   4           HA       VAL   4   8.160   0.207   1.355
   28    HB   VAL   4           HB       VAL   4   7.604  -1.943   2.560
   29   1HG1  VAL   4          HG11      VAL   4   7.909  -0.839   4.514
   30   2HG1  VAL   4          HG12      VAL   4   6.390   0.041   4.344
   31   3HG1  VAL   4          HG13      VAL   4   7.847   0.635   3.548
   32   1HG2  VAL   4          HG21      VAL   4   5.265  -2.127   1.808
   33   2HG2  VAL   4          HG22      VAL   4   4.858  -0.657   2.694
   34   3HG2  VAL   4          HG23      VAL   4   5.346  -2.108   3.570
   35    HA   PRO   5           HA       PRO   5   7.581  -2.105  -2.331
   36   1HB   PRO   5          HB2       PRO   5   9.240  -4.258  -1.985
   37   2HB   PRO   5          HB1       PRO   5   9.835  -2.617  -2.309
   38   1HG   PRO   5          HG2       PRO   5   9.653  -4.087   0.275
   39   2HG   PRO   5          HG1       PRO   5  10.930  -3.019  -0.328
   40   1HD   PRO   5          HD2       PRO   5   9.071  -2.225   1.482
   41   2HD   PRO   5          HD1       PRO   5   9.828  -1.114   0.320
   42    H    GLY   6           HN       GLY   6   5.325  -2.671  -1.790
   43   1HA   GLY   6          HA2       GLY   6   4.485  -5.227  -2.177
   44   2HA   GLY   6          HA1       GLY   6   4.823  -5.236  -0.444
   45    H    MET   7           HN       MET   7   3.892  -3.052   0.611
   46    HA   MET   7           HA       MET   7   1.924  -1.922   1.265
   47   1HB   MET   7          HB2       MET   7   1.822  -2.081  -1.746
   48   2HB   MET   7          HB1       MET   7   0.513  -1.310  -0.850
   49   1HG   MET   7          HG2       MET   7   1.777   0.505  -0.339
   50   2HG   MET   7          HG1       MET   7   3.198  -0.477   0.021
   51   1HE   MET   7          HE1       MET   7   3.932   2.033  -1.095
   52   2HE   MET   7          HE2       MET   7   2.363   2.359  -1.828
   53   3HE   MET   7          HE3       MET   7   3.812   2.358  -2.830
   54    H    THR   8           HN       THR   8  -0.706  -2.166   0.279
   55    HA   THR   8           HA       THR   8  -2.586  -3.583   0.510
   56    HB   THR   8           HB       THR   8  -0.450  -5.321  -0.748
   57    HG1  THR   8           HG1      THR   8  -2.404  -3.551  -1.594
   58   1HG2  THR   8          HG21      THR   8  -1.816  -7.046  -0.136
   59   2HG2  THR   8          HG22      THR   8  -2.788  -6.485  -1.497
   60   3HG2  THR   8          HG23      THR   8  -3.198  -5.985   0.144
   61    H    CYS   9           HN       CYS   9  -1.923  -3.326   2.975
   62    HA   CYS   9           HA       CYS   9  -1.736  -6.063   4.089
   63   1HB   CYS   9          HB2       CYS   9   0.017  -5.263   5.663
   64   2HB   CYS   9          HB1       CYS   9   0.552  -5.273   3.988
   65    H    ALA  10           HN       ALA  10  -4.139  -4.951   4.176
   66    HA   ALA  10           HA       ALA  10  -5.791  -3.959   5.586
   67   1HB   ALA  10          HB1       ALA  10  -5.502  -4.710   7.930
   68   2HB   ALA  10          HB2       ALA  10  -3.802  -5.059   7.615
   69   3HB   ALA  10          HB3       ALA  10  -5.060  -6.009   6.823
   70    H    ALA  11           HN       ALA  11  -3.421  -2.453   4.693
   71    HA   ALA  11           HA       ALA  11  -3.431  -0.260   6.705
   72   1HB   ALA  11          HB1       ALA  11  -0.908  -0.892   5.285
   73   2HB   ALA  11          HB2       ALA  11  -1.444  -2.124   6.422
   74   3HB   ALA  11          HB3       ALA  11  -1.159  -0.480   6.979
   75    H    CYS  12           HN       CYS  12  -2.102  -1.188   3.481
   76    HA   CYS  12           HA       CYS  12  -3.325   1.333   2.392
   77   1HB   CYS  12          HB2       CYS  12  -1.255   2.047   1.506
   78   2HB   CYS  12          HB1       CYS  12  -0.836   1.452   3.110
   79    HA   PRO  13           HA       PRO  13  -3.413  -2.327  -0.627
   80   1HB   PRO  13          HB2       PRO  13  -5.890  -3.379  -0.056
   81   2HB   PRO  13          HB1       PRO  13  -4.393  -4.042   0.634
   82   1HG   PRO  13          HG2       PRO  13  -6.362  -2.157   1.855
   83   2HG   PRO  13          HG1       PRO  13  -5.544  -3.554   2.578
   84   1HD   PRO  13          HD2       PRO  13  -4.714  -1.036   3.042
   85   2HD   PRO  13          HD1       PRO  13  -3.574  -2.395   2.917
   86    H    ILE  14           HN       ILE  14  -5.216   0.173   0.803
   87    HA   ILE  14           HA       ILE  14  -7.015   0.632  -1.428
   88    HB   ILE  14           HB       ILE  14  -7.867   0.971   0.797
   89   1HG1  ILE  14          HG12      ILE  14  -7.703   3.775   0.536
   90   2HG1  ILE  14          HG11      ILE  14  -7.629   3.138  -1.108
   91   1HG2  ILE  14          HG21      ILE  14  -6.677   2.887   2.140
   92   2HG2  ILE  14          HG22      ILE  14  -5.297   2.500   1.112
   93   3HG2  ILE  14          HG23      ILE  14  -5.989   1.263   2.161
   94   1HD1  ILE  14          HD11      ILE  14  -9.917   3.169  -0.860
   95   2HD1  ILE  14          HD12      ILE  14  -9.834   2.971   0.891
   96   3HD1  ILE  14          HD13      ILE  14  -9.598   1.579  -0.166
   97    H    THR  15           HN       THR  15  -3.954   1.598  -0.322
   98    HA   THR  15           HA       THR  15  -3.780   4.126  -1.779
   99    HB   THR  15           HB       THR  15  -2.179   2.273  -0.107
  100    HG1  THR  15           HG1      THR  15  -2.652   3.936   1.069
  101   1HG2  THR  15          HG21      THR  15  -0.110   3.792  -0.720
  102   2HG2  THR  15          HG22      THR  15  -0.963   3.997  -2.250
  103   3HG2  THR  15          HG23      THR  15  -0.485   2.386  -1.716
  104    H    VAL  16           HN       VAL  16  -1.949   1.088  -2.097
  105    HA   VAL  16           HA       VAL  16  -1.677   1.515  -5.020
  106    HB   VAL  16           HB       VAL  16   0.209   0.844  -3.450
  107   1HG1  VAL  16          HG11      VAL  16  -0.998  -0.647  -1.974
  108   2HG1  VAL  16          HG12      VAL  16   0.224  -1.597  -2.820
  109   3HG1  VAL  16          HG13      VAL  16  -1.464  -1.682  -3.325
  110   1HG2  VAL  16          HG21      VAL  16  -0.623  -0.658  -5.895
  111   2HG2  VAL  16          HG22      VAL  16   0.745  -1.289  -4.979
  112   3HG2  VAL  16          HG23      VAL  16   0.799   0.350  -5.628
  113    H    LYS  17           HN       LYS  17  -4.298   0.907  -3.785
  114    HA   LYS  17           HA       LYS  17  -5.064  -1.780  -3.916
  115   1HB   LYS  17          HB2       LYS  17  -7.283  -0.899  -3.963
  116   2HB   LYS  17          HB1       LYS  17  -6.313   0.308  -3.120
  117   1HG   LYS  17          HG2       LYS  17  -7.114   1.794  -4.624
  118   2HG   LYS  17          HG1       LYS  17  -6.035   1.024  -5.788
  119   1HD   LYS  17          HD2       LYS  17  -8.197   0.980  -6.797
  120   2HD   LYS  17          HD1       LYS  17  -7.919  -0.658  -6.203
  121   1HE   LYS  17          HE2       LYS  17  -9.624  -0.513  -4.697
  122   2HE   LYS  17          HE1       LYS  17  -9.167   1.133  -4.214
  123   1HZ   LYS  17          HZ1       LYS  17  -9.998   1.861  -6.445
  124   2HZ   LYS  17          HZ2       LYS  17 -11.207   1.312  -5.385
  125   3HZ   LYS  17          HZ3       LYS  17 -10.659   0.313  -6.645
  126    H    LYS  18           HN       LYS  18  -4.103   0.267  -6.405
  127    HA   LYS  18           HA       LYS  18  -5.476  -0.362  -8.705
  128   1HB   LYS  18          HB2       LYS  18  -3.355   1.018  -8.353
  129   2HB   LYS  18          HB1       LYS  18  -2.458  -0.496  -8.474
  130   1HG   LYS  18          HG2       LYS  18  -2.423   0.250 -10.687
  131   2HG   LYS  18          HG1       LYS  18  -3.831  -0.812 -10.691
  132   1HD   LYS  18          HD2       LYS  18  -5.292   1.155 -10.285
  133   2HD   LYS  18          HD1       LYS  18  -3.873   2.202 -10.354
  134   1HE   LYS  18          HE2       LYS  18  -4.387   2.350 -12.583
  135   2HE   LYS  18          HE1       LYS  18  -3.613   0.756 -12.686
  136   1HZ   LYS  18          HZ1       LYS  18  -5.976   0.894 -13.540
  137   2HZ   LYS  18          HZ2       LYS  18  -6.455   1.092 -11.922
  138   3HZ   LYS  18          HZ3       LYS  18  -5.662  -0.329 -12.408
  Start of MODEL    2
    1   1H    THR   1           HT1      THR   1  11.829   8.101   7.954
    2   2H    THR   1           HT2      THR   1  11.548   6.496   8.435
    3   3H    THR   1           HT3      THR   1  10.643   7.761   9.118
    4    HA   THR   1           HA       THR   1   9.493   8.170   7.088
    5    HB   THR   1           HB       THR   1  10.358   6.371   5.244
    6    HG1  THR   1           HG1      THR   1  12.807   6.876   5.615
    7   1HG2  THR   1          HG21      THR   1  11.508   9.108   5.848
    8   2HG2  THR   1          HG22      THR   1  10.119   8.748   4.822
    9   3HG2  THR   1          HG23      THR   1  11.735   8.251   4.323
   10    H    LEU   2           HN       LEU   2   7.578   7.003   6.766
   11    HA   LEU   2           HA       LEU   2   7.522   4.218   7.886
   12   1HB   LEU   2          HB2       LEU   2   6.003   6.665   8.388
   13   2HB   LEU   2          HB1       LEU   2   4.951   5.301   8.010
   14    HG   LEU   2           HG       LEU   2   6.260   3.951   9.709
   15   1HD1  LEU   2          HD11      LEU   2   8.054   6.001   9.570
   16   2HD1  LEU   2          HD12      LEU   2   7.953   4.876  10.925
   17   3HD1  LEU   2          HD13      LEU   2   7.156   6.447  11.021
   18   1HD2  LEU   2          HD21      LEU   2   4.834   4.619  11.409
   19   2HD2  LEU   2          HD22      LEU   2   4.061   5.420  10.042
   20   3HD2  LEU   2          HD23      LEU   2   5.120   6.334  11.116
   21    H    ALA   3           HN       ALA   3   8.039   4.856   5.090
   22    HA   ALA   3           HA       ALA   3   5.471   4.010   3.792
   23   1HB   ALA   3          HB1       ALA   3   6.267   5.167   1.870
   24   2HB   ALA   3          HB2       ALA   3   7.929   5.165   2.463
   25   3HB   ALA   3          HB3       ALA   3   6.721   6.201   3.224
   26    H    VAL   4           HN       VAL   4   5.466   1.831   3.359
   27    HA   VAL   4           HA       VAL   4   8.049   0.399   3.039
   28    HB   VAL   4           HB       VAL   4   5.155  -0.493   3.262
   29   1HG1  VAL   4          HG11      VAL   4   6.460  -2.697   3.892
   30   2HG1  VAL   4          HG12      VAL   4   7.744  -1.975   2.922
   31   3HG1  VAL   4          HG13      VAL   4   6.171  -2.303   2.197
   32   1HG2  VAL   4          HG21      VAL   4   5.499  -0.010   5.447
   33   2HG2  VAL   4          HG22      VAL   4   7.221   0.266   5.185
   34   3HG2  VAL   4          HG23      VAL   4   6.623  -1.369   5.467
   35    HA   PRO   5           HA       PRO   5   7.556   0.551  -1.364
   36   1HB   PRO   5          HB2       PRO   5   9.505  -1.272  -1.983
   37   2HB   PRO   5          HB1       PRO   5   9.860   0.395  -1.488
   38   1HG   PRO   5          HG2       PRO   5   9.951  -2.114   0.114
   39   2HG   PRO   5          HG1       PRO   5  11.051  -0.727   0.127
   40   1HD   PRO   5          HD2       PRO   5   9.142  -1.124   2.019
   41   2HD   PRO   5          HD1       PRO   5   9.716   0.489   1.541
   42    H    GLY   6           HN       GLY   6   5.873  -0.480  -2.358
   43   1HA   GLY   6          HA2       GLY   6   5.247  -2.639  -3.495
   44   2HA   GLY   6          HA1       GLY   6   5.614  -3.435  -1.963
   45    H    MET   7           HN       MET   7   4.392  -1.272  -0.362
   46    HA   MET   7           HA       MET   7   2.273  -0.968   0.659
   47   1HB   MET   7          HB2       MET   7   1.514  -0.787  -2.279
   48   2HB   MET   7          HB1       MET   7   0.689  -0.006  -0.930
   49   1HG   MET   7          HG2       MET   7   3.559   0.592  -1.026
   50   2HG   MET   7          HG1       MET   7   2.687   1.147  -2.455
   51   1HE   MET   7          HE1       MET   7   3.750   2.433   1.066
   52   2HE   MET   7          HE2       MET   7   2.970   0.857   1.175
   53   3HE   MET   7          HE3       MET   7   2.205   2.263   1.910
   54    H    THR   8           HN       THR   8  -0.309  -1.736  -0.355
   55    HA   THR   8           HA       THR   8  -1.696  -3.658  -0.370
   56    HB   THR   8           HB       THR   8   0.770  -4.456  -1.943
   57    HG1  THR   8           HG1      THR   8  -0.636  -2.766  -2.699
   58   1HG2  THR   8          HG21      THR   8  -1.023  -6.272  -0.900
   59   2HG2  THR   8          HG22      THR   8  -0.069  -6.521  -2.361
   60   3HG2  THR   8          HG23      THR   8  -1.723  -5.922  -2.480
   61    H    CYS   9           HN       CYS   9  -1.345  -3.869   2.017
   62    HA   CYS   9           HA       CYS   9   0.030  -6.415   2.656
   63   1HB   CYS   9          HB2       CYS   9   1.111  -5.251   4.597
   64   2HB   CYS   9          HB1       CYS   9   1.712  -4.728   3.029
   65    H    ALA  10           HN       ALA  10  -2.607  -6.551   2.611
   66    HA   ALA  10           HA       ALA  10  -4.591  -6.710   3.926
   67   1HB   ALA  10          HB1       ALA  10  -2.640  -7.016   6.221
   68   2HB   ALA  10          HB2       ALA  10  -2.757  -8.258   4.973
   69   3HB   ALA  10          HB3       ALA  10  -4.163  -7.867   5.963
   70    H    ALA  11           HN       ALA  11  -3.147  -4.161   3.547
   71    HA   ALA  11           HA       ALA  11  -4.285  -2.596   5.809
   72   1HB   ALA  11          HB1       ALA  11  -2.191  -1.798   6.325
   73   2HB   ALA  11          HB2       ALA  11  -1.690  -1.772   4.636
   74   3HB   ALA  11          HB3       ALA  11  -1.653  -3.281   5.543
   75    H    CYS  12           HN       CYS  12  -2.467  -2.160   2.717
   76    HA   CYS  12           HA       CYS  12  -4.694  -0.346   1.831
   77   1HB   CYS  12          HB2       CYS  12  -3.151   1.367   1.288
   78   2HB   CYS  12          HB1       CYS  12  -2.619   0.777   2.861
   79    HA   PRO  13           HA       PRO  13  -2.959  -2.991  -1.683
   80   1HB   PRO  13          HB2       PRO  13  -4.623  -5.174  -1.560
   81   2HB   PRO  13          HB1       PRO  13  -3.016  -5.166  -0.806
   82   1HG   PRO  13          HG2       PRO  13  -5.689  -4.717   0.440
   83   2HG   PRO  13          HG1       PRO  13  -4.308  -5.650   1.043
   84   1HD   PRO  13          HD2       PRO  13  -4.866  -3.166   1.945
   85   2HD   PRO  13          HD1       PRO  13  -3.202  -3.776   1.802
   86    H    ILE  14           HN       ILE  14  -5.785  -1.981  -0.076
   87    HA   ILE  14           HA       ILE  14  -7.523  -1.957  -2.413
   88    HB   ILE  14           HB       ILE  14  -8.439  -2.598  -0.258
   89   1HG1  ILE  14          HG12      ILE  14  -9.693  -0.011  -0.149
   90   2HG1  ILE  14          HG11      ILE  14  -9.420  -0.447  -1.837
   91   1HG2  ILE  14          HG21      ILE  14  -8.471  -0.649   1.497
   92   2HG2  ILE  14          HG22      ILE  14  -7.082  -0.052   0.588
   93   3HG2  ILE  14          HG23      ILE  14  -7.024  -1.645   1.341
   94   1HD1  ILE  14          HD11      ILE  14 -11.424  -1.539  -1.516
   95   2HD1  ILE  14          HD12      ILE  14 -11.141  -1.772   0.209
   96   3HD1  ILE  14          HD13      ILE  14 -10.332  -2.810  -0.965
   97    H    THR  15           HN       THR  15  -5.368   0.052  -0.722
   98    HA   THR  15           HA       THR  15  -6.427   2.583  -1.821
   99    HB   THR  15           HB       THR  15  -4.738   1.562   0.295
  100    HG1  THR  15           HG1      THR  15  -6.244   2.912   0.940
  101   1HG2  THR  15          HG21      THR  15  -3.169   3.634   0.234
  102   2HG2  THR  15          HG22      THR  15  -3.546   3.687  -1.488
  103   3HG2  THR  15          HG23      THR  15  -2.765   2.263  -0.800
  104    H    VAL  16           HN       VAL  16  -3.325   0.818  -1.869
  105    HA   VAL  16           HA       VAL  16  -2.598   2.051  -4.468
  106    HB   VAL  16           HB       VAL  16  -1.150   0.088  -2.650
  107   1HG1  VAL  16          HG11      VAL  16   0.862   1.069  -3.854
  108   2HG1  VAL  16          HG12      VAL  16  -0.274   1.811  -4.981
  109   3HG1  VAL  16          HG13      VAL  16  -0.185   0.055  -4.848
  110   1HG2  VAL  16          HG21      VAL  16  -1.672   2.948  -2.415
  111   2HG2  VAL  16          HG22      VAL  16   0.058   2.605  -2.478
  112   3HG2  VAL  16          HG23      VAL  16  -0.947   1.846  -1.243
  113    H    LYS  17           HN       LYS  17  -4.859   0.131  -4.180
  114    HA   LYS  17           HA       LYS  17  -4.259  -2.496  -4.923
  115   1HB   LYS  17          HB2       LYS  17  -6.581  -2.547  -5.670
  116   2HB   LYS  17          HB1       LYS  17  -6.464  -1.533  -4.232
  117   1HG   LYS  17          HG2       LYS  17  -6.620   0.467  -5.484
  118   2HG   LYS  17          HG1       LYS  17  -6.244  -0.354  -7.000
  119   1HD   LYS  17          HD2       LYS  17  -8.413  -1.692  -6.605
  120   2HD   LYS  17          HD1       LYS  17  -8.802  -0.464  -5.400
  121   1HE   LYS  17          HE2       LYS  17  -9.268   1.108  -6.990
  122   2HE   LYS  17          HE1       LYS  17  -7.891   0.620  -7.999
  123   1HZ   LYS  17          HZ1       LYS  17 -10.258  -1.119  -7.647
  124   2HZ   LYS  17          HZ2       LYS  17  -9.059  -1.199  -8.847
  125   3HZ   LYS  17          HZ3       LYS  17 -10.202   0.058  -8.867
  126    H    LYS  18           HN       LYS  18  -3.839   0.330  -6.697
  127    HA   LYS  18           HA       LYS  18  -3.568  -1.194  -9.263
  128   1HB   LYS  18          HB2       LYS  18  -5.098   1.048  -8.586
  129   2HB   LYS  18          HB1       LYS  18  -3.718   1.715  -9.459
  130   1HG   LYS  18          HG2       LYS  18  -4.156  -0.118 -11.209
  131   2HG   LYS  18          HG1       LYS  18  -5.714  -0.340 -10.414
  132   1HD   LYS  18          HD2       LYS  18  -6.428   1.851 -10.939
  133   2HD   LYS  18          HD1       LYS  18  -4.787   2.393 -11.291
  134   1HE   LYS  18          HE2       LYS  18  -5.126   0.302 -13.081
  135   2HE   LYS  18          HE1       LYS  18  -6.721   1.080 -13.064
  136   1HZ   LYS  18          HZ1       LYS  18  -4.991   2.096 -14.596
  137   2HZ   LYS  18          HZ2       LYS  18  -4.209   2.643 -13.191
  138   3HZ   LYS  18          HZ3       LYS  18  -5.788   3.160 -13.544
  Start of MODEL    3
    1   1H    THR   1           HT1      THR   1  11.536   7.734   4.848
    2   2H    THR   1           HT2      THR   1  10.879   7.102   6.281
    3   3H    THR   1           HT3      THR   1   9.978   8.191   5.338
    4    HA   THR   1           HA       THR   1   9.331   6.617   3.858
    5    HB   THR   1           HB       THR   1  11.841   5.037   4.414
    6    HG1  THR   1           HG1      THR   1  12.964   6.370   3.130
    7   1HG2  THR   1          HG21      THR   1   9.787   4.416   2.849
    8   2HG2  THR   1          HG22      THR   1  11.444   4.071   2.352
    9   3HG2  THR   1          HG23      THR   1  10.615   5.497   1.728
   10    H    LEU   2           HN       LEU   2   7.850   6.295   5.773
   11    HA   LEU   2           HA       LEU   2   8.425   3.761   7.266
   12   1HB   LEU   2          HB2       LEU   2   7.631   6.347   8.038
   13   2HB   LEU   2          HB1       LEU   2   6.182   5.354   8.203
   14    HG   LEU   2           HG       LEU   2   8.894   4.634   9.351
   15   1HD1  LEU   2          HD11      LEU   2   6.644   5.223  11.163
   16   2HD1  LEU   2          HD12      LEU   2   7.227   6.621  10.259
   17   3HD1  LEU   2          HD13      LEU   2   8.337   5.704  11.278
   18   1HD2  LEU   2          HD21      LEU   2   7.775   2.807  10.393
   19   2HD2  LEU   2          HD22      LEU   2   7.200   2.800   8.725
   20   3HD2  LEU   2          HD23      LEU   2   6.184   3.461  10.006
   21    H    ALA   3           HN       ALA   3   7.650   2.540   5.314
   22    HA   ALA   3           HA       ALA   3   4.785   1.971   5.512
   23   1HB   ALA   3          HB1       ALA   3   4.090   2.945   3.520
   24   2HB   ALA   3          HB2       ALA   3   5.698   2.859   2.802
   25   3HB   ALA   3          HB3       ALA   3   5.335   4.098   4.003
   26    H    VAL   4           HN       VAL   4   4.354  -0.101   4.701
   27    HA   VAL   4           HA       VAL   4   6.480  -1.933   4.275
   28    HB   VAL   4           HB       VAL   4   4.122  -2.416   4.972
   29   1HG1  VAL   4          HG11      VAL   4   2.410  -2.575   3.184
   30   2HG1  VAL   4          HG12      VAL   4   3.569  -1.911   2.032
   31   3HG1  VAL   4          HG13      VAL   4   2.997  -0.923   3.376
   32   1HG2  VAL   4          HG21      VAL   4   5.713  -4.144   3.956
   33   2HG2  VAL   4          HG22      VAL   4   4.831  -3.924   2.445
   34   3HG2  VAL   4          HG23      VAL   4   3.995  -4.538   3.871
   35    HA   PRO   5           HA       PRO   5   7.525  -0.949   0.088
   36   1HB   PRO   5          HB2       PRO   5   9.079  -3.149  -0.406
   37   2HB   PRO   5          HB1       PRO   5   9.632  -1.777   0.575
   38   1HG   PRO   5          HG2       PRO   5   8.597  -4.429   1.443
   39   2HG   PRO   5          HG1       PRO   5   9.905  -3.449   2.123
   40   1HD   PRO   5          HD2       PRO   5   7.407  -3.592   3.212
   41   2HD   PRO   5          HD1       PRO   5   8.477  -2.183   3.385
   42    H    GLY   6           HN       GLY   6   5.927  -1.221  -1.436
   43   1HA   GLY   6          HA2       GLY   6   5.167  -2.753  -3.255
   44   2HA   GLY   6          HA1       GLY   6   5.060  -4.022  -2.033
   45    H    MET   7           HN       MET   7   3.904  -2.144  -0.037
   46    HA   MET   7           HA       MET   7   1.725  -1.588   0.692
   47   1HB   MET   7          HB2       MET   7   1.891  -0.628  -2.176
   48   2HB   MET   7          HB1       MET   7   0.488  -0.290  -1.161
   49   1HG   MET   7          HG2       MET   7   1.583   1.345  -0.062
   50   2HG   MET   7          HG1       MET   7   2.961   0.290   0.251
   51   1HE   MET   7          HE1       MET   7   3.203   3.190  -0.027
   52   2HE   MET   7          HE2       MET   7   2.033   3.555  -1.293
   53   3HE   MET   7          HE3       MET   7   3.743   3.883  -1.563
   54    H    THR   8           HN       THR   8  -0.735  -1.694  -0.645
   55    HA   THR   8           HA       THR   8  -2.401  -3.271  -1.240
   56    HB   THR   8           HB       THR   8   0.070  -4.066  -2.795
   57    HG1  THR   8           HG1      THR   8  -1.029  -3.016  -4.434
   58   1HG2  THR   8          HG21      THR   8  -2.428  -5.019  -3.932
   59   2HG2  THR   8          HG22      THR   8  -2.146  -5.735  -2.347
   60   3HG2  THR   8          HG23      THR   8  -0.938  -5.907  -3.619
   61    H    CYS   9           HN       CYS   9  -2.155  -4.022   1.130
   62    HA   CYS   9           HA       CYS   9  -1.481  -6.907   1.133
   63   1HB   CYS   9          HB2       CYS   9  -0.224  -6.548   3.262
   64   2HB   CYS   9          HB1       CYS   9   0.544  -5.809   1.863
   65    H    ALA  10           HN       ALA  10  -4.066  -6.341   1.088
   66    HA   ALA  10           HA       ALA  10  -6.091  -6.301   2.351
   67   1HB   ALA  10          HB1       ALA  10  -4.471  -7.672   4.495
   68   2HB   ALA  10          HB2       ALA  10  -4.682  -8.469   2.936
   69   3HB   ALA  10          HB3       ALA  10  -6.090  -8.064   3.916
   70    H    ALA  11           HN       ALA  11  -4.034  -4.201   2.643
   71    HA   ALA  11           HA       ALA  11  -4.852  -3.058   5.267
   72   1HB   ALA  11          HB1       ALA  11  -2.655  -2.993   5.932
   73   2HB   ALA  11          HB2       ALA  11  -2.085  -2.617   4.307
   74   3HB   ALA  11          HB3       ALA  11  -2.458  -4.280   4.748
   75    H    CYS  12           HN       CYS  12  -2.822  -2.263   2.387
   76    HA   CYS  12           HA       CYS  12  -4.484   0.230   2.091
   77   1HB   CYS  12          HB2       CYS  12  -2.518   1.540   1.915
   78   2HB   CYS  12          HB1       CYS  12  -2.182   0.434   3.244
   79    HA   PRO  13           HA       PRO  13  -3.440  -1.805  -2.071
   80   1HB   PRO  13          HB2       PRO  13  -5.645  -3.412  -2.421
   81   2HB   PRO  13          HB1       PRO  13  -4.108  -4.032  -1.784
   82   1HG   PRO  13          HG2       PRO  13  -6.570  -3.214  -0.307
   83   2HG   PRO  13          HG1       PRO  13  -5.518  -4.617  -0.051
   84   1HD   PRO  13          HD2       PRO  13  -5.352  -2.427   1.502
   85   2HD   PRO  13          HD1       PRO  13  -3.918  -3.384   1.069
   86    H    ILE  14           HN       ILE  14  -5.925  -0.521  -0.134
   87    HA   ILE  14           HA       ILE  14  -7.580   0.525  -2.264
   88    HB   ILE  14           HB       ILE  14  -8.635  -0.191  -0.221
   89   1HG1  ILE  14          HG12      ILE  14  -9.028   2.481   0.608
   90   2HG1  ILE  14          HG11      ILE  14  -8.728   2.553  -1.129
   91   1HG2  ILE  14          HG21      ILE  14  -6.271   1.039   0.929
   92   2HG2  ILE  14          HG22      ILE  14  -7.390  -0.114   1.656
   93   3HG2  ILE  14          HG23      ILE  14  -7.732   1.615   1.733
   94   1HD1  ILE  14          HD11      ILE  14 -10.607   0.481  -0.034
   95   2HD1  ILE  14          HD12      ILE  14 -10.570   1.211  -1.639
   96   3HD1  ILE  14          HD13      ILE  14 -11.171   2.136  -0.264
   97    H    THR  15           HN       THR  15  -4.870   1.439  -0.446
   98    HA   THR  15           HA       THR  15  -5.119   4.332  -0.942
   99    HB   THR  15           HB       THR  15  -3.494   2.348   0.526
  100    HG1  THR  15           HG1      THR  15  -5.041   3.797   1.441
  101   1HG2  THR  15          HG21      THR  15  -1.775   4.417   0.813
  102   2HG2  THR  15          HG22      THR  15  -2.236   4.657  -0.872
  103   3HG2  THR  15          HG23      THR  15  -1.524   3.127  -0.362
  104    H    VAL  16           HN       VAL  16  -2.755   1.780  -1.744
  105    HA   VAL  16           HA       VAL  16  -1.924   3.250  -4.187
  106    HB   VAL  16           HB       VAL  16  -0.967   0.567  -3.151
  107   1HG1  VAL  16          HG11      VAL  16   0.368   2.799  -4.714
  108   2HG1  VAL  16          HG12      VAL  16  -0.184   1.260  -5.376
  109   3HG1  VAL  16          HG13      VAL  16   1.147   1.296  -4.219
  110   1HG2  VAL  16          HG21      VAL  16  -0.553   1.747  -1.219
  111   2HG2  VAL  16          HG22      VAL  16  -0.548   3.304  -2.046
  112   3HG2  VAL  16          HG23      VAL  16   0.865   2.253  -2.138
  113    H    LYS  17           HN       LYS  17  -4.634   2.171  -3.978
  114    HA   LYS  17           HA       LYS  17  -4.972  -0.352  -5.172
  115   1HB   LYS  17          HB2       LYS  17  -6.564   1.516  -4.097
  116   2HB   LYS  17          HB1       LYS  17  -6.862   1.854  -5.802
  117   1HG   LYS  17          HG2       LYS  17  -7.239  -0.803  -4.391
  118   2HG   LYS  17          HG1       LYS  17  -8.506   0.235  -5.044
  119   1HD   LYS  17          HD2       LYS  17  -7.402  -0.036  -7.316
  120   2HD   LYS  17          HD1       LYS  17  -6.394  -1.286  -6.587
  121   1HE   LYS  17          HE2       LYS  17  -9.375  -1.452  -6.229
  122   2HE   LYS  17          HE1       LYS  17  -8.655  -1.978  -7.764
  123   1HZ   LYS  17          HZ1       LYS  17  -7.362  -2.795  -5.263
  124   2HZ   LYS  17          HZ2       LYS  17  -7.435  -3.603  -6.756
  125   3HZ   LYS  17          HZ3       LYS  17  -8.782  -3.602  -5.721
  126    H    LYS  18           HN       LYS  18  -3.726   2.432  -6.494
  127    HA   LYS  18           HA       LYS  18  -3.060   2.988  -8.668
  128   1HB   LYS  18          HB2       LYS  18  -3.043   0.122  -8.342
  129   2HB   LYS  18          HB1       LYS  18  -3.443   0.532 -10.011
  130   1HG   LYS  18          HG2       LYS  18  -0.978   0.325  -9.615
  131   2HG   LYS  18          HG1       LYS  18  -1.455   1.920 -10.198
  132   1HD   LYS  18          HD2       LYS  18  -1.253   2.890  -8.039
  133   2HD   LYS  18          HD1       LYS  18  -1.206   1.313  -7.250
  134   1HE   LYS  18          HE2       LYS  18   1.013   0.921  -7.866
  135   2HE   LYS  18          HE1       LYS  18   0.923   2.015  -9.261
  136   1HZ   LYS  18          HZ1       LYS  18   1.326   2.638  -6.443
  137   2HZ   LYS  18          HZ2       LYS  18   0.312   3.693  -7.308
  138   3HZ   LYS  18          HZ3       LYS  18   1.910   3.435  -7.822
  Start of MODEL    4
    1   1H    THR   1           HT1      THR   1   2.861   4.639   8.142
    2   2H    THR   1           HT2      THR   1   2.598   3.515   6.895
    3   3H    THR   1           HT3      THR   1   1.442   4.717   7.217
    4    HA   THR   1           HA       THR   1   2.981   6.445   6.505
    5    HB   THR   1           HB       THR   1   5.151   5.484   5.487
    6    HG1  THR   1           HG1      THR   1   4.292   3.301   5.581
    7   1HG2  THR   1          HG21      THR   1   5.486   6.673   7.459
    8   2HG2  THR   1          HG22      THR   1   6.066   5.072   7.919
    9   3HG2  THR   1          HG23      THR   1   4.453   5.598   8.402
   10    H    LEU   2           HN       LEU   2   2.801   7.072   4.310
   11    HA   LEU   2           HA       LEU   2   1.004   5.748   2.600
   12   1HB   LEU   2          HB2       LEU   2   2.450   8.093   2.655
   13   2HB   LEU   2          HB1       LEU   2   3.168   7.254   1.279
   14    HG   LEU   2           HG       LEU   2   1.313   8.532   0.431
   15   1HD1  LEU   2          HD11      LEU   2   0.436   5.648   0.794
   16   2HD1  LEU   2          HD12      LEU   2   1.550   6.222  -0.447
   17   3HD1  LEU   2          HD13      LEU   2  -0.131   6.754  -0.458
   18   1HD2  LEU   2          HD21      LEU   2  -1.019   7.983   1.403
   19   2HD2  LEU   2          HD22      LEU   2   0.032   9.021   2.367
   20   3HD2  LEU   2          HD23      LEU   2  -0.145   7.316   2.781
   21    H    ALA   3           HN       ALA   3   4.544   5.452   2.799
   22    HA   ALA   3           HA       ALA   3   4.458   3.301   0.719
   23   1HB   ALA   3          HB1       ALA   3   6.574   5.152   1.830
   24   2HB   ALA   3          HB2       ALA   3   6.002   5.022   0.167
   25   3HB   ALA   3          HB3       ALA   3   7.004   3.746   0.857
   26    H    VAL   4           HN       VAL   4   4.834   1.202   1.363
   27    HA   VAL   4           HA       VAL   4   5.904   0.766   4.138
   28    HB   VAL   4           HB       VAL   4   4.258  -0.949   4.397
   29   1HG1  VAL   4          HG11      VAL   4   3.515   1.672   3.757
   30   2HG1  VAL   4          HG12      VAL   4   2.527   0.477   4.597
   31   3HG1  VAL   4          HG13      VAL   4   2.396   0.656   2.848
   32   1HG2  VAL   4          HG21      VAL   4   4.617  -1.963   2.146
   33   2HG2  VAL   4          HG22      VAL   4   3.670  -0.657   1.434
   34   3HG2  VAL   4          HG23      VAL   4   2.906  -1.798   2.540
   35    HA   PRO   5           HA       PRO   5   8.862  -1.973   2.387
   36   1HB   PRO   5          HB2       PRO   5   8.768  -4.171   4.029
   37   2HB   PRO   5          HB1       PRO   5   9.498  -2.627   4.516
   38   1HG   PRO   5          HG2       PRO   5   6.798  -3.724   5.146
   39   2HG   PRO   5          HG1       PRO   5   7.934  -2.856   6.192
   40   1HD   PRO   5          HD2       PRO   5   5.787  -1.658   5.075
   41   2HD   PRO   5          HD1       PRO   5   7.305  -0.791   5.387
   42    H    GLY   6           HN       GLY   6   6.962  -2.087   0.669
   43   1HA   GLY   6          HA2       GLY   6   6.845  -4.307  -0.792
   44   2HA   GLY   6          HA1       GLY   6   5.751  -4.786   0.510
   45    H    MET   7           HN       MET   7   4.558  -4.699  -1.895
   46    HA   MET   7           HA       MET   7   2.827  -2.286  -1.671
   47   1HB   MET   7          HB2       MET   7   4.750  -2.969  -3.808
   48   2HB   MET   7          HB1       MET   7   3.145  -2.520  -4.386
   49   1HG   MET   7          HG2       MET   7   3.496  -0.351  -3.892
   50   2HG   MET   7          HG1       MET   7   4.002  -0.753  -2.251
   51   1HE   MET   7          HE1       MET   7   5.989   1.704  -4.263
   52   2HE   MET   7          HE2       MET   7   6.669   1.359  -2.675
   53   3HE   MET   7          HE3       MET   7   4.921   1.394  -2.888
   54    H    THR   8           HN       THR   8   0.718  -2.951  -1.795
   55    HA   THR   8           HA       THR   8  -1.147  -4.348  -2.197
   56    HB   THR   8           HB       THR   8   0.486  -5.125  -4.629
   57    HG1  THR   8           HG1      THR   8  -0.205  -3.223  -5.535
   58   1HG2  THR   8          HG21      THR   8  -2.435  -4.532  -4.667
   59   2HG2  THR   8          HG22      THR   8  -1.923  -6.043  -3.916
   60   3HG2  THR   8          HG23      THR   8  -1.516  -5.713  -5.600
   61    H    CYS   9           HN       CYS   9  -0.804  -5.869  -0.456
   62    HA   CYS   9           HA       CYS   9  -0.274  -8.583  -1.306
   63   1HB   CYS   9          HB2       CYS   9   1.748  -8.873   0.108
   64   2HB   CYS   9          HB1       CYS   9   2.011  -7.769  -1.235
   65    H    ALA  10           HN       ALA  10  -2.565  -7.843  -0.154
   66    HA   ALA  10           HA       ALA  10  -3.929  -8.060   1.793
   67   1HB   ALA  10          HB1       ALA  10  -1.905 -10.131   2.641
   68   2HB   ALA  10          HB2       ALA  10  -2.842 -10.390   1.169
   69   3HB   ALA  10          HB3       ALA  10  -3.665 -10.214   2.719
   70    H    ALA  11           HN       ALA  11  -1.572  -6.285   1.762
   71    HA   ALA  11           HA       ALA  11  -1.144  -5.974   4.692
   72   1HB   ALA  11          HB1       ALA  11   0.632  -7.100   2.932
   73   2HB   ALA  11          HB2       ALA  11   1.115  -6.254   4.397
   74   3HB   ALA  11          HB3       ALA  11   1.103  -5.406   2.852
   75    H    CYS  12           HN       CYS  12  -0.353  -4.467   1.507
   76    HA   CYS  12           HA       CYS  12  -1.531  -1.917   2.566
   77   1HB   CYS  12          HB2       CYS  12   0.445  -0.712   2.091
   78   2HB   CYS  12          HB1       CYS  12   1.037  -2.210   2.802
   79    HA   PRO  13           HA       PRO  13  -2.329  -2.619  -2.039
   80   1HB   PRO  13          HB2       PRO  13  -4.764  -3.888  -1.943
   81   2HB   PRO  13          HB1       PRO  13  -3.235  -4.781  -2.089
   82   1HG   PRO  13          HG2       PRO  13  -4.907  -4.280   0.327
   83   2HG   PRO  13          HG1       PRO  13  -4.052  -5.751  -0.167
   84   1HD   PRO  13          HD2       PRO  13  -3.083  -4.069   1.723
   85   2HD   PRO  13          HD1       PRO  13  -2.033  -5.006   0.640
   86    H    ILE  14           HN       ILE  14  -3.706  -1.774   0.942
   87    HA   ILE  14           HA       ILE  14  -5.777  -0.024  -0.105
   88    HB   ILE  14           HB       ILE  14  -6.295  -1.294   1.869
   89   1HG1  ILE  14          HG12      ILE  14  -5.669   1.237   3.263
   90   2HG1  ILE  14          HG11      ILE  14  -6.563   1.423   1.754
   91   1HG2  ILE  14          HG21      ILE  14  -4.557  -1.958   3.141
   92   2HG2  ILE  14          HG22      ILE  14  -4.543  -0.342   3.846
   93   3HG2  ILE  14          HG23      ILE  14  -3.513  -0.709   2.463
   94   1HD1  ILE  14          HD11      ILE  14  -8.368   0.123   2.517
   95   2HD1  ILE  14          HD12      ILE  14  -7.917   1.056   3.944
   96   3HD1  ILE  14          HD13      ILE  14  -7.409  -0.626   3.792
   97    H    THR  15           HN       THR  15  -2.538   0.081   0.923
   98    HA   THR  15           HA       THR  15  -2.407   2.946   1.493
   99    HB   THR  15           HB       THR  15  -0.744   0.507   1.356
  100    HG1  THR  15           HG1      THR  15   0.036   1.440   3.299
  101   1HG2  THR  15          HG21      THR  15   0.333   3.205   0.614
  102   2HG2  THR  15          HG22      THR  15   0.801   1.613   0.017
  103   3HG2  THR  15          HG23      THR  15   1.332   2.149   1.611
  104    H    VAL  16           HN       VAL  16  -0.782   0.953  -0.980
  105    HA   VAL  16           HA       VAL  16  -0.828   3.227  -2.885
  106    HB   VAL  16           HB       VAL  16   0.358   0.427  -2.982
  107   1HG1  VAL  16          HG11      VAL  16   0.885   0.833  -5.133
  108   2HG1  VAL  16          HG12      VAL  16   1.621   2.375  -4.696
  109   3HG1  VAL  16          HG13      VAL  16  -0.102   2.292  -5.061
  110   1HG2  VAL  16          HG21      VAL  16   1.958   1.284  -1.645
  111   2HG2  VAL  16          HG22      VAL  16   1.172   2.863  -1.662
  112   3HG2  VAL  16          HG23      VAL  16   2.342   2.447  -2.914
  113    H    LYS  17           HN       LYS  17  -3.317   1.867  -2.064
  114    HA   LYS  17           HA       LYS  17  -4.262  -0.078  -3.825
  115   1HB   LYS  17          HB2       LYS  17  -5.316   0.912  -1.743
  116   2HB   LYS  17          HB1       LYS  17  -5.818   2.274  -2.746
  117   1HG   LYS  17          HG2       LYS  17  -6.575  -0.030  -4.178
  118   2HG   LYS  17          HG1       LYS  17  -7.027  -0.345  -2.501
  119   1HD   LYS  17          HD2       LYS  17  -8.129   1.919  -2.449
  120   2HD   LYS  17          HD1       LYS  17  -7.821   2.048  -4.182
  121   1HE   LYS  17          HE2       LYS  17  -9.195  -0.419  -3.160
  122   2HE   LYS  17          HE1       LYS  17 -10.135   1.076  -3.335
  123   1HZ   LYS  17          HZ1       LYS  17  -9.722  -0.535  -5.372
  124   2HZ   LYS  17          HZ2       LYS  17  -8.290   0.372  -5.490
  125   3HZ   LYS  17          HZ3       LYS  17  -9.800   1.148  -5.568
  126    H    LYS  18           HN       LYS  18  -3.463   3.138  -4.448
  127    HA   LYS  18           HA       LYS  18  -5.160   3.937  -6.547
  128   1HB   LYS  18          HB2       LYS  18  -2.176   4.339  -6.152
  129   2HB   LYS  18          HB1       LYS  18  -3.185   5.308  -7.226
  130   1HG   LYS  18          HG2       LYS  18  -4.651   5.741  -5.138
  131   2HG   LYS  18          HG1       LYS  18  -3.270   5.149  -4.215
  132   1HD   LYS  18          HD2       LYS  18  -3.029   7.534  -4.350
  133   2HD   LYS  18          HD1       LYS  18  -1.848   6.843  -5.464
  134   1HE   LYS  18          HE2       LYS  18  -2.902   7.704  -7.303
  135   2HE   LYS  18          HE1       LYS  18  -4.517   7.371  -6.646
  136   1HZ   LYS  18          HZ1       LYS  18  -4.434   9.243  -5.280
  137   2HZ   LYS  18          HZ2       LYS  18  -3.782   9.798  -6.747
  138   3HZ   LYS  18          HZ3       LYS  18  -2.756   9.420  -5.447
  Start of MODEL    5
    1   1H    THR   1           HT1      THR   1   6.703   5.472  -6.149
    2   2H    THR   1           HT2      THR   1   5.135   5.655  -5.521
    3   3H    THR   1           HT3      THR   1   5.358   5.063  -7.098
    4    HA   THR   1           HA       THR   1   4.823   3.214  -5.674
    5    HB   THR   1           HB       THR   1   7.728   3.485  -6.509
    6    HG1  THR   1           HG1      THR   1   6.925   2.441  -8.372
    7   1HG2  THR   1          HG21      THR   1   6.641   1.466  -4.958
    8   2HG2  THR   1          HG22      THR   1   8.081   1.320  -5.966
    9   3HG2  THR   1          HG23      THR   1   6.510   0.825  -6.595
   10    H    LEU   2           HN       LEU   2   4.489   4.208  -3.473
   11    HA   LEU   2           HA       LEU   2   6.871   4.268  -1.706
   12   1HB   LEU   2          HB2       LEU   2   3.924   4.834  -1.238
   13   2HB   LEU   2          HB1       LEU   2   5.229   5.197  -0.108
   14    HG   LEU   2           HG       LEU   2   4.856   6.371  -2.878
   15   1HD1  LEU   2          HD11      LEU   2   3.409   7.372  -1.179
   16   2HD1  LEU   2          HD12      LEU   2   4.701   8.499  -1.589
   17   3HD1  LEU   2          HD13      LEU   2   4.783   7.571  -0.092
   18   1HD2  LEU   2          HD21      LEU   2   7.199   6.150  -2.633
   19   2HD2  LEU   2          HD22      LEU   2   7.137   6.486  -0.903
   20   3HD2  LEU   2          HD23      LEU   2   6.871   7.786  -2.064
   21    H    ALA   3           HN       ALA   3   7.018   1.784  -2.156
   22    HA   ALA   3           HA       ALA   3   5.024   0.112  -0.794
   23   1HB   ALA   3          HB1       ALA   3   7.606  -0.262  -2.295
   24   2HB   ALA   3          HB2       ALA   3   5.997  -0.862  -2.695
   25   3HB   ALA   3          HB3       ALA   3   6.916  -1.607  -1.387
   26    H    VAL   4           HN       VAL   4   5.053   0.355   1.433
   27    HA   VAL   4           HA       VAL   4   7.703  -0.002   2.802
   28    HB   VAL   4           HB       VAL   4   6.860   1.584   4.479
   29   1HG1  VAL   4          HG11      VAL   4   7.960   2.804   2.832
   30   2HG1  VAL   4          HG12      VAL   4   6.363   3.549   2.783
   31   3HG1  VAL   4          HG13      VAL   4   6.810   2.341   1.578
   32   1HG2  VAL   4          HG21      VAL   4   4.599   2.743   3.475
   33   2HG2  VAL   4          HG22      VAL   4   4.592   1.490   4.716
   34   3HG2  VAL   4          HG23      VAL   4   4.337   1.058   3.025
   35    HA   PRO   5           HA       PRO   5   5.839  -3.286   5.043
   36   1HB   PRO   5          HB2       PRO   5   6.762  -2.893   7.595
   37   2HB   PRO   5          HB1       PRO   5   7.789  -3.490   6.275
   38   1HG   PRO   5          HG2       PRO   5   7.554  -0.735   7.390
   39   2HG   PRO   5          HG1       PRO   5   8.998  -1.625   6.880
   40   1HD   PRO   5          HD2       PRO   5   7.837   0.278   5.343
   41   2HD   PRO   5          HD1       PRO   5   8.686  -1.124   4.655
   42    H    GLY   6           HN       GLY   6   3.785  -1.817   4.618
   43   1HA   GLY   6          HA2       GLY   6   1.958  -2.008   6.669
   44   2HA   GLY   6          HA1       GLY   6   2.705  -0.433   6.946
   45    H    MET   7           HN       MET   7   3.162  -0.139   3.982
   46    HA   MET   7           HA       MET   7   0.329   0.424   3.172
   47   1HB   MET   7          HB2       MET   7   2.790   2.108   2.617
   48   2HB   MET   7          HB1       MET   7   1.108   2.555   2.324
   49   1HG   MET   7          HG2       MET   7   0.648   2.461   4.740
   50   2HG   MET   7          HG1       MET   7   2.318   1.988   5.047
   51   1HE   MET   7          HE1       MET   7   0.837   4.974   6.293
   52   2HE   MET   7          HE2       MET   7  -0.163   4.287   5.015
   53   3HE   MET   7          HE3       MET   7   0.460   5.927   4.851
   54    H    THR   8           HN       THR   8  -0.153  -0.707   1.344
   55    HA   THR   8           HA       THR   8   0.113  -1.816  -0.724
   56    HB   THR   8           HB       THR   8   2.316   0.263  -0.923
   57    HG1  THR   8           HG1      THR   8   0.746   1.626  -1.039
   58   1HG2  THR   8          HG21      THR   8   1.694  -1.801  -2.669
   59   2HG2  THR   8          HG22      THR   8   2.547  -0.316  -3.093
   60   3HG2  THR   8          HG23      THR   8   0.803  -0.429  -3.327
   61    H    CYS   9           HN       CYS   9   0.965  -3.730   0.566
   62    HA   CYS   9           HA       CYS   9   3.650  -4.446  -0.412
   63   1HB   CYS   9          HB2       CYS   9   4.327  -5.077   1.916
   64   2HB   CYS   9          HB1       CYS   9   4.163  -3.345   1.664
   65    H    ALA  10           HN       ALA  10   1.570  -5.714  -1.470
   66    HA   ALA  10           HA       ALA  10   0.378  -7.782  -1.574
   67   1HB   ALA  10          HB1       ALA  10   2.105  -9.511  -0.269
   68   2HB   ALA  10          HB2       ALA  10   3.167  -8.160  -0.668
   69   3HB   ALA  10          HB3       ALA  10   2.289  -8.998  -1.946
   70    H    ALA  11           HN       ALA  11   0.109  -5.952   0.731
   71    HA   ALA  11           HA       ALA  11  -1.007  -7.837   2.750
   72   1HB   ALA  11          HB1       ALA  11   1.361  -6.485   2.966
   73   2HB   ALA  11          HB2       ALA  11   0.364  -6.913   4.350
   74   3HB   ALA  11          HB3       ALA  11   0.247  -5.302   3.643
   75    H    CYS  12           HN       CYS  12  -0.713  -4.336   1.936
   76    HA   CYS  12           HA       CYS  12  -3.706  -4.164   2.116
   77   1HB   CYS  12          HB2       CYS  12  -3.585  -2.385   3.681
   78   2HB   CYS  12          HB1       CYS  12  -2.412  -3.564   4.266
   79    HA   PRO  13           HA       PRO  13  -1.773  -1.340  -1.167
   80   1HB   PRO  13          HB2       PRO  13  -1.893  -2.980  -3.372
   81   2HB   PRO  13          HB1       PRO  13  -0.416  -2.803  -2.400
   82   1HG   PRO  13          HG2       PRO  13  -2.484  -4.954  -2.317
   83   2HG   PRO  13          HG1       PRO  13  -0.718  -5.088  -2.249
   84   1HD   PRO  13          HD2       PRO  13  -2.238  -5.255  -0.033
   85   2HD   PRO  13          HD1       PRO  13  -0.626  -4.506  -0.016
   86    H    ILE  14           HN       ILE  14  -4.167  -3.699  -0.572
   87    HA   ILE  14           HA       ILE  14  -6.155  -2.595  -2.394
   88    HB   ILE  14           HB       ILE  14  -6.025  -4.994  -2.188
   89   1HG1  ILE  14          HG12      ILE  14  -8.310  -5.500  -1.271
   90   2HG1  ILE  14          HG11      ILE  14  -8.390  -3.839  -0.680
   91   1HG2  ILE  14          HG21      ILE  14  -6.795  -5.599   0.414
   92   2HG2  ILE  14          HG22      ILE  14  -5.638  -4.285   0.625
   93   3HG2  ILE  14          HG23      ILE  14  -5.163  -5.748  -0.237
   94   1HD1  ILE  14          HD11      ILE  14  -9.323  -3.419  -2.718
   95   2HD1  ILE  14          HD12      ILE  14  -8.633  -4.871  -3.442
   96   3HD1  ILE  14          HD13      ILE  14  -7.648  -3.418  -3.269
   97    H    THR  15           HN       THR  15  -5.210  -2.435   0.886
   98    HA   THR  15           HA       THR  15  -7.744  -1.221   1.799
   99    HB   THR  15           HB       THR  15  -5.323  -2.509   2.803
  100    HG1  THR  15           HG1      THR  15  -7.823  -2.813   3.019
  101   1HG2  THR  15          HG21      THR  15  -5.457  -1.290   5.055
  102   2HG2  THR  15          HG22      THR  15  -6.336  -0.020   4.203
  103   3HG2  THR  15          HG23      THR  15  -4.678  -0.405   3.743
  104    H    VAL  16           HN       VAL  16  -4.289  -0.301   1.886
  105    HA   VAL  16           HA       VAL  16  -5.031   2.570   1.872
  106    HB   VAL  16           HB       VAL  16  -2.434   1.010   2.112
  107   1HG1  VAL  16          HG11      VAL  16  -2.911   3.804   1.464
  108   2HG1  VAL  16          HG12      VAL  16  -1.386   2.919   1.524
  109   3HG1  VAL  16          HG13      VAL  16  -2.042   3.646   2.991
  110   1HG2  VAL  16          HG21      VAL  16  -4.450   1.545   3.964
  111   2HG2  VAL  16          HG22      VAL  16  -3.237   2.783   4.293
  112   3HG2  VAL  16          HG23      VAL  16  -2.793   1.077   4.347
  113    H    LYS  17           HN       LYS  17  -5.626   0.924  -0.463
  114    HA   LYS  17           HA       LYS  17  -3.756   0.982  -2.529
  115   1HB   LYS  17          HB2       LYS  17  -6.053  -0.071  -2.440
  116   2HB   LYS  17          HB1       LYS  17  -6.719   1.532  -2.754
  117   1HG   LYS  17          HG2       LYS  17  -5.440   1.653  -4.862
  118   2HG   LYS  17          HG1       LYS  17  -4.778   0.047  -4.551
  119   1HD   LYS  17          HD2       LYS  17  -7.587  -0.179  -4.263
  120   2HD   LYS  17          HD1       LYS  17  -7.309   0.748  -5.738
  121   1HE   LYS  17          HE2       LYS  17  -6.155  -0.995  -6.779
  122   2HE   LYS  17          HE1       LYS  17  -5.672  -1.728  -5.236
  123   1HZ   LYS  17          HZ1       LYS  17  -7.426  -3.067  -5.669
  124   2HZ   LYS  17          HZ2       LYS  17  -8.196  -1.937  -6.676
  125   3HZ   LYS  17          HZ3       LYS  17  -8.309  -1.790  -4.987
  126    H    LYS  18           HN       LYS  18  -5.329   3.552  -1.009
  127    HA   LYS  18           HA       LYS  18  -3.878   5.576  -2.506
  128   1HB   LYS  18          HB2       LYS  18  -6.553   4.690  -3.321
  129   2HB   LYS  18          HB1       LYS  18  -6.465   6.431  -3.051
  130   1HG   LYS  18          HG2       LYS  18  -4.165   5.322  -4.523
  131   2HG   LYS  18          HG1       LYS  18  -5.704   5.181  -5.374
  132   1HD   LYS  18          HD2       LYS  18  -4.663   7.315  -5.941
  133   2HD   LYS  18          HD1       LYS  18  -6.108   7.609  -4.974
  134   1HE   LYS  18          HE2       LYS  18  -4.882   8.243  -3.088
  135   2HE   LYS  18          HE1       LYS  18  -3.448   7.327  -3.592
  136   1HZ   LYS  18          HZ1       LYS  18  -4.533   9.657  -5.080
  137   2HZ   LYS  18          HZ2       LYS  18  -3.074   8.839  -5.379
  138   3HZ   LYS  18          HZ3       LYS  18  -3.258   9.766  -3.966
  Start of MODEL    6
    1   1H    THR   1           HT1      THR   1   8.732  -2.092   7.146
    2   2H    THR   1           HT2      THR   1   8.494  -3.017   8.551
    3   3H    THR   1           HT3      THR   1   9.918  -2.111   8.359
    4    HA   THR   1           HA       THR   1   7.167  -1.073   8.802
    5    HB   THR   1           HB       THR   1   8.897   0.008  10.626
    6    HG1  THR   1           HG1      THR   1  10.646  -1.181   9.994
    7   1HG2  THR   1          HG21      THR   1   7.062  -0.910  11.628
    8   2HG2  THR   1          HG22      THR   1   8.167  -2.251  11.930
    9   3HG2  THR   1          HG23      THR   1   7.057  -2.314  10.561
   10    H    LEU   2           HN       LEU   2   6.977   1.244   8.660
   11    HA   LEU   2           HA       LEU   2   7.449   3.384   7.769
   12   1HB   LEU   2          HB2       LEU   2   9.766   2.348   8.996
   13   2HB   LEU   2          HB1       LEU   2  10.308   3.016   7.457
   14    HG   LEU   2           HG       LEU   2   8.373   4.676   8.970
   15   1HD1  LEU   2          HD11      LEU   2  10.159   3.599  10.594
   16   2HD1  LEU   2          HD12      LEU   2   9.791   5.321  10.698
   17   3HD1  LEU   2          HD13      LEU   2  11.239   4.778   9.850
   18   1HD2  LEU   2          HD21      LEU   2   9.280   6.283   7.657
   19   2HD2  LEU   2          HD22      LEU   2  10.096   4.973   6.803
   20   3HD2  LEU   2          HD23      LEU   2  10.923   5.826   8.106
   21    H    ALA   3           HN       ALA   3   6.811   3.630   5.662
   22    HA   ALA   3           HA       ALA   3   6.800   3.422   3.305
   23   1HB   ALA   3          HB1       ALA   3   9.733   2.910   3.369
   24   2HB   ALA   3          HB2       ALA   3   9.176   4.373   4.181
   25   3HB   ALA   3          HB3       ALA   3   8.828   4.127   2.470
   26    H    VAL   4           HN       VAL   4   5.743   1.216   3.743
   27    HA   VAL   4           HA       VAL   4   7.456  -1.154   3.471
   28    HB   VAL   4           HB       VAL   4   4.445  -0.979   3.242
   29   1HG1  VAL   4          HG11      VAL   4   6.319  -3.088   3.305
   30   2HG1  VAL   4          HG12      VAL   4   4.565  -3.220   3.430
   31   3HG1  VAL   4          HG13      VAL   4   5.546  -3.085   4.890
   32   1HG2  VAL   4          HG21      VAL   4   4.766   0.283   5.196
   33   2HG2  VAL   4          HG22      VAL   4   6.222  -0.604   5.645
   34   3HG2  VAL   4          HG23      VAL   4   4.639  -1.358   5.830
   35    HA   PRO   5           HA       PRO   5   7.287  -0.830  -0.982
   36   1HB   PRO   5          HB2       PRO   5   8.722  -3.107  -1.488
   37   2HB   PRO   5          HB1       PRO   5   9.477  -1.578  -0.996
   38   1HG   PRO   5          HG2       PRO   5   8.857  -3.993   0.631
   39   2HG   PRO   5          HG1       PRO   5  10.268  -2.925   0.687
   40   1HD   PRO   5          HD2       PRO   5   8.221  -2.802   2.483
   41   2HD   PRO   5          HD1       PRO   5   9.226  -1.402   2.045
   42    H    GLY   6           HN       GLY   6   5.194  -1.307  -1.646
   43   1HA   GLY   6          HA2       GLY   6   4.073  -3.216  -2.923
   44   2HA   GLY   6          HA1       GLY   6   4.310  -4.158  -1.449
   45    H    MET   7           HN       MET   7   3.737  -1.761   0.244
   46    HA   MET   7           HA       MET   7   1.857  -0.781   1.286
   47   1HB   MET   7          HB2       MET   7   0.687  -1.094  -1.496
   48   2HB   MET   7          HB1       MET   7   0.183   0.063  -0.263
   49   1HG   MET   7          HG2       MET   7   2.944  -0.032  -1.512
   50   2HG   MET   7          HG1       MET   7   1.670   1.099  -1.970
   51   1HE   MET   7          HE1       MET   7   0.574   2.554  -0.749
   52   2HE   MET   7          HE2       MET   7   1.903   3.711  -0.731
   53   3HE   MET   7          HE3       MET   7   1.029   3.361   0.758
   54    H    THR   8           HN       THR   8  -0.901  -1.512   0.128
   55    HA   THR   8           HA       THR   8  -2.552  -3.152   0.562
   56    HB   THR   8           HB       THR   8  -0.143  -4.998   0.516
   57    HG1  THR   8           HG1      THR   8  -1.740  -4.211  -1.677
   58   1HG2  THR   8          HG21      THR   8  -2.705  -5.781  -0.718
   59   2HG2  THR   8          HG22      THR   8  -2.770  -5.574   1.033
   60   3HG2  THR   8          HG23      THR   8  -1.625  -6.710   0.321
   61    H    CYS   9           HN       CYS   9  -2.579  -2.050   2.759
   62    HA   CYS   9           HA       CYS   9  -1.994  -4.039   4.895
   63   1HB   CYS   9          HB2       CYS   9  -1.297  -1.236   5.535
   64   2HB   CYS   9          HB1       CYS   9  -0.474  -2.715   5.988
   65    H    ALA  10           HN       ALA  10  -4.555  -3.376   3.868
   66    HA   ALA  10           HA       ALA  10  -6.634  -2.392   4.513
   67   1HB   ALA  10          HB1       ALA  10  -6.499  -2.177   7.216
   68   2HB   ALA  10          HB2       ALA  10  -5.089  -3.200   6.944
   69   3HB   ALA  10          HB3       ALA  10  -6.682  -3.736   6.410
   70    H    ALA  11           HN       ALA  11  -4.209  -0.798   3.906
   71    HA   ALA  11           HA       ALA  11  -4.946   1.787   5.184
   72   1HB   ALA  11          HB1       ALA  11  -2.262   1.947   4.957
   73   2HB   ALA  11          HB2       ALA  11  -2.415   0.196   5.090
   74   3HB   ALA  11          HB3       ALA  11  -3.028   1.234   6.377
   75    H    CYS  12           HN       CYS  12  -2.845   0.280   2.662
   76    HA   CYS  12           HA       CYS  12  -3.843   2.398   0.773
   77   1HB   CYS  12          HB2       CYS  12  -1.104   1.462   0.273
   78   2HB   CYS  12          HB1       CYS  12  -1.728   3.104   0.336
   79    HA   PRO  13           HA       PRO  13  -3.581  -1.899  -1.242
   80   1HB   PRO  13          HB2       PRO  13  -6.093  -2.893  -0.729
   81   2HB   PRO  13          HB1       PRO  13  -4.683  -3.314   0.265
   82   1HG   PRO  13          HG2       PRO  13  -6.813  -1.283   0.773
   83   2HG   PRO  13          HG1       PRO  13  -6.072  -2.442   1.893
   84   1HD   PRO  13          HD2       PRO  13  -5.338   0.146   1.851
   85   2HD   PRO  13          HD1       PRO  13  -4.174  -1.158   2.178
   86    H    ILE  14           HN       ILE  14  -5.600   0.780  -0.638
   87    HA   ILE  14           HA       ILE  14  -7.083   0.632  -3.136
   88    HB   ILE  14           HB       ILE  14  -8.276   1.366  -1.181
   89   1HG1  ILE  14          HG12      ILE  14  -7.855   4.065  -2.271
   90   2HG1  ILE  14          HG11      ILE  14  -8.137   2.842  -3.511
   91   1HG2  ILE  14          HG21      ILE  14  -7.039   2.284   0.468
   92   2HG2  ILE  14          HG22      ILE  14  -7.079   3.792  -0.447
   93   3HG2  ILE  14          HG23      ILE  14  -5.732   2.672  -0.651
   94   1HD1  ILE  14          HD11      ILE  14 -10.081   2.077  -1.915
   95   2HD1  ILE  14          HD12      ILE  14 -10.320   3.468  -2.973
   96   3HD1  ILE  14          HD13      ILE  14  -9.936   3.711  -1.269
   97    H    THR  15           HN       THR  15  -4.295   2.116  -1.834
   98    HA   THR  15           HA       THR  15  -4.031   4.291  -3.730
   99    HB   THR  15           HB       THR  15  -2.514   2.821  -1.644
  100    HG1  THR  15           HG1      THR  15  -3.105   5.501  -2.303
  101   1HG2  THR  15          HG21      THR  15  -0.573   2.863  -2.839
  102   2HG2  THR  15          HG22      THR  15  -0.583   4.590  -2.480
  103   3HG2  THR  15          HG23      THR  15  -1.216   4.005  -4.018
  104    H    VAL  16           HN       VAL  16  -2.144   1.288  -3.368
  105    HA   VAL  16           HA       VAL  16  -1.556   1.273  -6.276
  106    HB   VAL  16           HB       VAL  16  -0.019  -0.553  -5.595
  107   1HG1  VAL  16          HG11      VAL  16   0.245   2.098  -4.997
  108   2HG1  VAL  16          HG12      VAL  16   1.513   0.900  -4.738
  109   3HG1  VAL  16          HG13      VAL  16   0.461   1.374  -3.404
  110   1HG2  VAL  16          HG21      VAL  16  -0.531  -0.193  -2.713
  111   2HG2  VAL  16          HG22      VAL  16  -0.219  -1.672  -3.623
  112   3HG2  VAL  16          HG23      VAL  16  -1.843  -0.986  -3.584
  113    H    LYS  17           HN       LYS  17  -4.298   0.824  -5.239
  114    HA   LYS  17           HA       LYS  17  -5.133  -1.794  -4.982
  115   1HB   LYS  17          HB2       LYS  17  -7.270  -0.969  -5.672
  116   2HB   LYS  17          HB1       LYS  17  -6.437   0.411  -4.956
  117   1HG   LYS  17          HG2       LYS  17  -7.218   1.332  -6.954
  118   2HG   LYS  17          HG1       LYS  17  -5.596   0.817  -7.417
  119   1HD   LYS  17          HD2       LYS  17  -6.397  -0.707  -8.879
  120   2HD   LYS  17          HD1       LYS  17  -7.548  -1.335  -7.699
  121   1HE   LYS  17          HE2       LYS  17  -9.118  -0.402  -9.085
  122   2HE   LYS  17          HE1       LYS  17  -8.652   1.119  -8.299
  123   1HZ   LYS  17          HZ1       LYS  17  -8.441   0.781 -10.904
  124   2HZ   LYS  17          HZ2       LYS  17  -6.937   0.136 -10.450
  125   3HZ   LYS  17          HZ3       LYS  17  -7.342   1.733 -10.030
  126    H    LYS  18           HN       LYS  18  -3.854  -0.248  -7.716
  127    HA   LYS  18           HA       LYS  18  -4.804  -1.717  -9.913
  128   1HB   LYS  18          HB2       LYS  18  -3.015   0.239  -9.511
  129   2HB   LYS  18          HB1       LYS  18  -1.887  -1.103  -9.702
  130   1HG   LYS  18          HG2       LYS  18  -2.191  -1.089 -11.928
  131   2HG   LYS  18          HG1       LYS  18  -3.930  -1.295 -11.717
  132   1HD   LYS  18          HD2       LYS  18  -2.853   1.417 -11.157
  133   2HD   LYS  18          HD1       LYS  18  -2.848   0.908 -12.846
  134   1HE   LYS  18          HE2       LYS  18  -5.287   0.276 -12.578
  135   2HE   LYS  18          HE1       LYS  18  -5.241   1.058 -10.985
  136   1HZ   LYS  18          HZ1       LYS  18  -5.707   2.887 -12.208
  137   2HZ   LYS  18          HZ2       LYS  18  -5.051   2.247 -13.638
  138   3HZ   LYS  18          HZ3       LYS  18  -4.028   2.900 -12.448
  Start of MODEL    7
    1   1H    THR   1           HT1      THR   1   9.282   6.690   7.443
    2   2H    THR   1           HT2      THR   1   8.622   7.582   8.729
    3   3H    THR   1           HT3      THR   1   8.607   8.219   7.154
    4    HA   THR   1           HA       THR   1   6.494   7.018   8.237
    5    HB   THR   1           HB       THR   1   6.517   8.292   6.187
    6    HG1  THR   1           HG1      THR   1   4.966   7.161   5.342
    7   1HG2  THR   1          HG21      THR   1   7.516   6.446   4.272
    8   2HG2  THR   1          HG22      THR   1   8.707   6.547   5.569
    9   3HG2  THR   1          HG23      THR   1   8.198   8.009   4.724
   10    H    LEU   2           HN       LEU   2   7.052   5.049   9.406
   11    HA   LEU   2           HA       LEU   2   8.379   2.774   8.532
   12   1HB   LEU   2          HB2       LEU   2   7.507   2.845  10.735
   13   2HB   LEU   2          HB1       LEU   2   5.878   3.213  10.168
   14    HG   LEU   2           HG       LEU   2   7.052   0.664   9.197
   15   1HD1  LEU   2          HD11      LEU   2   6.051  -0.272  11.496
   16   2HD1  LEU   2          HD12      LEU   2   6.593   1.302  12.078
   17   3HD1  LEU   2          HD13      LEU   2   7.747   0.188  11.345
   18   1HD2  LEU   2          HD21      LEU   2   4.444   1.908   9.718
   19   2HD2  LEU   2          HD22      LEU   2   4.532   0.232  10.262
   20   3HD2  LEU   2          HD23      LEU   2   4.870   0.631   8.578
   21    H    ALA   3           HN       ALA   3   8.157   1.748   6.575
   22    HA   ALA   3           HA       ALA   3   5.582   0.654   5.757
   23   1HB   ALA   3          HB1       ALA   3   6.452   2.340   3.575
   24   2HB   ALA   3          HB2       ALA   3   6.240   3.309   5.033
   25   3HB   ALA   3          HB3       ALA   3   4.902   2.339   4.416
   26    H    VAL   4           HN       VAL   4   5.887  -0.244   3.369
   27    HA   VAL   4           HA       VAL   4   8.539  -1.602   3.317
   28    HB   VAL   4           HB       VAL   4   7.372  -3.268   2.043
   29   1HG1  VAL   4          HG11      VAL   4   6.173  -3.971   3.814
   30   2HG1  VAL   4          HG12      VAL   4   4.988  -2.684   3.589
   31   3HG1  VAL   4          HG13      VAL   4   6.443  -2.387   4.542
   32   1HG2  VAL   4          HG21      VAL   4   5.570  -0.969   1.440
   33   2HG2  VAL   4          HG22      VAL   4   4.827  -2.567   1.522
   34   3HG2  VAL   4          HG23      VAL   4   6.136  -2.261   0.381
   35    HA   PRO   5           HA       PRO   5   9.842   0.496  -0.313
   36   1HB   PRO   5          HB2       PRO   5  10.992  -1.504  -1.786
   37   2HB   PRO   5          HB1       PRO   5  11.730  -0.841  -0.315
   38   1HG   PRO   5          HG2       PRO   5  10.194  -3.360  -0.690
   39   2HG   PRO   5          HG1       PRO   5  11.610  -3.041   0.321
   40   1HD   PRO   5          HD2       PRO   5   9.059  -3.189   1.285
   41   2HD   PRO   5          HD1       PRO   5  10.352  -2.247   2.057
   42    H    GLY   6           HN       GLY   6   7.436   0.739  -0.879
   43   1HA   GLY   6          HA2       GLY   6   6.761   0.605  -3.470
   44   2HA   GLY   6          HA1       GLY   6   6.481  -1.075  -3.010
   45    H    MET   7           HN       MET   7   4.394  -1.474  -2.492
   46    HA   MET   7           HA       MET   7   2.918   0.189  -0.613
   47   1HB   MET   7          HB2       MET   7   2.941   0.883  -3.378
   48   2HB   MET   7          HB1       MET   7   1.338   0.243  -3.015
   49   1HG   MET   7          HG2       MET   7   0.834   2.243  -2.107
   50   2HG   MET   7          HG1       MET   7   1.987   1.878  -0.823
   51   1HE   MET   7          HE1       MET   7   2.186   5.593  -2.404
   52   2HE   MET   7          HE2       MET   7   2.282   4.887  -0.793
   53   3HE   MET   7          HE3       MET   7   0.937   4.470  -1.850
   54    H    THR   8           HN       THR   8   0.312  -0.575  -1.250
   55    HA   THR   8           HA       THR   8  -1.121  -2.431  -0.934
   56    HB   THR   8           HB       THR   8   0.904  -3.257  -3.021
   57    HG1  THR   8           HG1      THR   8  -0.473  -1.747  -3.765
   58   1HG2  THR   8          HG21      THR   8  -0.534  -5.162  -3.567
   59   2HG2  THR   8          HG22      THR   8  -1.608  -4.756  -2.230
   60   3HG2  THR   8          HG23      THR   8   0.038  -5.296  -1.904
   61    H    CYS   9           HN       CYS   9  -0.710  -3.057   1.243
   62    HA   CYS   9           HA       CYS   9   0.775  -5.548   1.581
   63   1HB   CYS   9          HB2       CYS   9   2.326  -4.546   3.242
   64   2HB   CYS   9          HB1       CYS   9   2.577  -3.917   1.620
   65    H    ALA  10           HN       ALA  10  -1.787  -5.623   2.090
   66    HA   ALA  10           HA       ALA  10  -3.477  -5.723   3.774
   67   1HB   ALA  10          HB1       ALA  10  -1.621  -7.381   4.433
   68   2HB   ALA  10          HB2       ALA  10  -2.652  -6.833   5.754
   69   3HB   ALA  10          HB3       ALA  10  -1.044  -6.140   5.546
   70    H    ALA  11           HN       ALA  11  -2.052  -3.220   3.126
   71    HA   ALA  11           HA       ALA  11  -2.688  -1.620   5.552
   72   1HB   ALA  11          HB1       ALA  11  -0.175  -2.399   4.845
   73   2HB   ALA  11          HB2       ALA  11  -0.507  -0.871   5.653
   74   3HB   ALA  11          HB3       ALA  11  -0.316  -0.919   3.902
   75    H    CYS  12           HN       CYS  12  -1.377  -1.191   2.221
   76    HA   CYS  12           HA       CYS  12  -3.708   0.617   1.653
   77   1HB   CYS  12          HB2       CYS  12  -2.246   2.325   0.870
   78   2HB   CYS  12          HB1       CYS  12  -1.543   1.780   2.391
   79    HA   PRO  13           HA       PRO  13  -2.656  -2.162  -1.945
   80   1HB   PRO  13          HB2       PRO  13  -4.501  -4.146  -1.541
   81   2HB   PRO  13          HB1       PRO  13  -2.840  -4.267  -0.928
   82   1HG   PRO  13          HG2       PRO  13  -5.340  -3.572   0.516
   83   2HG   PRO  13          HG1       PRO  13  -3.937  -4.503   1.064
   84   1HD   PRO  13          HD2       PRO  13  -4.405  -1.885   1.741
   85   2HD   PRO  13          HD1       PRO  13  -2.802  -2.639   1.714
   86    H    ILE  14           HN       ILE  14  -5.091  -0.638  -0.184
   87    HA   ILE  14           HA       ILE  14  -7.140  -0.680  -2.242
   88    HB   ILE  14           HB       ILE  14  -8.501   0.291  -0.552
   89   1HG1  ILE  14          HG12      ILE  14  -5.928   1.069   0.862
   90   2HG1  ILE  14          HG11      ILE  14  -6.936   2.172  -0.077
   91   1HG2  ILE  14          HG21      ILE  14  -6.400  -1.308   0.947
   92   2HG2  ILE  14          HG22      ILE  14  -7.704  -2.020  -0.002
   93   3HG2  ILE  14          HG23      ILE  14  -8.078  -1.064   1.432
   94   1HD1  ILE  14          HD11      ILE  14  -8.735   2.013   1.453
   95   2HD1  ILE  14          HD12      ILE  14  -7.304   2.126   2.478
   96   3HD1  ILE  14          HD13      ILE  14  -8.075   0.562   2.208
   97    H    THR  15           HN       THR  15  -4.560   1.228  -1.114
   98    HA   THR  15           HA       THR  15  -5.341   3.779  -2.258
   99    HB   THR  15           HB       THR  15  -3.102   2.402  -0.899
  100    HG1  THR  15           HG1      THR  15  -3.885   3.751   0.485
  101   1HG2  THR  15          HG21      THR  15  -1.611   3.183  -2.499
  102   2HG2  THR  15          HG22      THR  15  -1.700   4.602  -1.455
  103   3HG2  THR  15          HG23      THR  15  -2.640   4.544  -2.946
  104    H    VAL  16           HN       VAL  16  -2.580   1.694  -3.099
  105    HA   VAL  16           HA       VAL  16  -2.819   2.495  -5.945
  106    HB   VAL  16           HB       VAL  16  -0.811   0.920  -4.297
  107   1HG1  VAL  16          HG11      VAL  16  -1.209   1.080  -7.199
  108   2HG1  VAL  16          HG12      VAL  16  -0.203  -0.026  -6.263
  109   3HG1  VAL  16          HG13      VAL  16   0.408   1.570  -6.696
  110   1HG2  VAL  16          HG21      VAL  16   0.465   3.072  -5.436
  111   2HG2  VAL  16          HG22      VAL  16  -0.210   3.061  -3.807
  112   3HG2  VAL  16          HG23      VAL  16  -1.147   3.725  -5.145
  113    H    LYS  17           HN       LYS  17  -4.839   0.769  -4.612
  114    HA   LYS  17           HA       LYS  17  -4.595  -1.959  -5.058
  115   1HB   LYS  17          HB2       LYS  17  -6.480  -0.529  -4.034
  116   2HB   LYS  17          HB1       LYS  17  -7.081  -0.382  -5.686
  117   1HG   LYS  17          HG2       LYS  17  -7.140  -2.861  -5.862
  118   2HG   LYS  17          HG1       LYS  17  -6.617  -2.973  -4.181
  119   1HD   LYS  17          HD2       LYS  17  -8.778  -1.208  -4.100
  120   2HD   LYS  17          HD1       LYS  17  -9.275  -2.447  -5.252
  121   1HE   LYS  17          HE2       LYS  17  -8.117  -3.963  -3.255
  122   2HE   LYS  17          HE1       LYS  17  -8.898  -2.661  -2.338
  123   1HZ   LYS  17          HZ1       LYS  17 -10.450  -3.667  -4.560
  124   2HZ   LYS  17          HZ2       LYS  17 -10.933  -3.315  -2.970
  125   3HZ   LYS  17          HZ3       LYS  17 -10.196  -4.803  -3.328
  126    H    LYS  18           HN       LYS  18  -4.759   0.545  -7.325
  127    HA   LYS  18           HA       LYS  18  -4.539  -1.368  -9.574
  128   1HB   LYS  18          HB2       LYS  18  -6.442  -0.281 -10.740
  129   2HB   LYS  18          HB1       LYS  18  -6.955  -1.004  -9.215
  130   1HG   LYS  18          HG2       LYS  18  -6.723   1.216  -8.115
  131   2HG   LYS  18          HG1       LYS  18  -6.305   1.921  -9.677
  132   1HD   LYS  18          HD2       LYS  18  -8.465   1.984 -10.333
  133   2HD   LYS  18          HD1       LYS  18  -8.743   0.322  -9.814
  134   1HE   LYS  18          HE2       LYS  18 -10.121   1.424  -8.301
  135   2HE   LYS  18          HE1       LYS  18  -8.602   1.482  -7.386
  136   1HZ   LYS  18          HZ1       LYS  18  -9.987   3.606  -8.796
  137   2HZ   LYS  18          HZ2       LYS  18  -8.306   3.563  -9.038
  138   3HZ   LYS  18          HZ3       LYS  18  -8.938   3.695  -7.467
  Start of MODEL    8
    1   1H    THR   1           HT1      THR   1   6.815  -1.280   7.047
    2   2H    THR   1           HT2      THR   1   7.433  -1.598   8.597
    3   3H    THR   1           HT3      THR   1   7.552  -0.038   7.936
    4    HA   THR   1           HA       THR   1   4.921  -1.319   8.415
    5    HB   THR   1           HB       THR   1   5.379   0.448  10.487
    6    HG1  THR   1           HG1      THR   1   7.469   0.674  10.506
    7   1HG2  THR   1          HG21      THR   1   5.594  -1.576  11.874
    8   2HG2  THR   1          HG22      THR   1   5.941  -2.530  10.431
    9   3HG2  THR   1          HG23      THR   1   4.353  -1.790  10.639
   10    H    LEU   2           HN       LEU   2   4.201  -0.110   6.532
   11    HA   LEU   2           HA       LEU   2   3.333   1.806   5.451
   12   1HB   LEU   2          HB2       LEU   2   3.009   2.000   8.303
   13   2HB   LEU   2          HB1       LEU   2   3.301   3.613   7.652
   14    HG   LEU   2           HG       LEU   2   1.490   3.345   6.046
   15   1HD1  LEU   2          HD11      LEU   2   0.038   1.218   6.370
   16   2HD1  LEU   2          HD12      LEU   2   1.473   0.531   7.130
   17   3HD1  LEU   2          HD13      LEU   2   1.534   1.063   5.450
   18   1HD2  LEU   2          HD21      LEU   2  -0.401   3.226   7.604
   19   2HD2  LEU   2          HD22      LEU   2   0.934   4.103   8.352
   20   3HD2  LEU   2          HD23      LEU   2   0.616   2.429   8.805
   21    H    ALA   3           HN       ALA   3   3.818   4.371   5.368
   22    HA   ALA   3           HA       ALA   3   5.414   6.054   4.905
   23   1HB   ALA   3          HB1       ALA   3   6.102   4.748   7.319
   24   2HB   ALA   3          HB2       ALA   3   6.621   6.349   6.791
   25   3HB   ALA   3          HB3       ALA   3   7.608   4.935   6.420
   26    H    VAL   4           HN       VAL   4   5.234   4.109   2.953
   27    HA   VAL   4           HA       VAL   4   8.068   3.903   2.040
   28    HB   VAL   4           HB       VAL   4   7.415   1.787   3.154
   29   1HG1  VAL   4          HG11      VAL   4   5.155   1.912   1.143
   30   2HG1  VAL   4          HG12      VAL   4   5.031   1.808   2.899
   31   3HG1  VAL   4          HG13      VAL   4   5.614   0.425   1.973
   32   1HG2  VAL   4          HG21      VAL   4   7.643   0.308   1.020
   33   2HG2  VAL   4          HG22      VAL   4   8.955   1.420   1.406
   34   3HG2  VAL   4          HG23      VAL   4   7.780   1.841   0.161
   35    HA   PRO   5           HA       PRO   5   6.142   5.311  -1.671
   36   1HB   PRO   5          HB2       PRO   5   8.195   4.791  -3.404
   37   2HB   PRO   5          HB1       PRO   5   8.221   6.144  -2.255
   38   1HG   PRO   5          HG2       PRO   5   9.555   3.492  -2.084
   39   2HG   PRO   5          HG1       PRO   5  10.140   5.085  -1.582
   40   1HD   PRO   5          HD2       PRO   5   9.148   3.214   0.149
   41   2HD   PRO   5          HD1       PRO   5   9.110   4.964   0.455
   42    H    GLY   6           HN       GLY   6   5.087   4.387  -3.502
   43   1HA   GLY   6          HA2       GLY   6   4.568   2.651  -5.068
   44   2HA   GLY   6          HA1       GLY   6   5.649   1.568  -4.189
   45    H    MET   7           HN       MET   7   4.402   2.353  -1.582
   46    HA   MET   7           HA       MET   7   2.717   1.459  -0.185
   47   1HB   MET   7          HB2       MET   7   1.213   2.105  -2.743
   48   2HB   MET   7          HB1       MET   7   0.435   1.762  -1.197
   49   1HG   MET   7          HG2       MET   7   1.992   3.643  -0.274
   50   2HG   MET   7          HG1       MET   7   2.144   4.117  -1.966
   51   1HE   MET   7          HE1       MET   7   1.142   6.142  -2.308
   52   2HE   MET   7          HE2       MET   7  -0.596   6.363  -2.492
   53   3HE   MET   7          HE3       MET   7   0.232   5.122  -3.431
   54    H    THR   8           HN       THR   8   0.446  -0.124  -0.978
   55    HA   THR   8           HA       THR   8  -0.050  -2.410  -1.351
   56    HB   THR   8           HB       THR   8   1.827  -1.525  -3.538
   57    HG1  THR   8           HG1      THR   8  -0.729  -2.517  -3.963
   58   1HG2  THR   8          HG21      THR   8   0.670  -3.869  -4.467
   59   2HG2  THR   8          HG22      THR   8   1.148  -4.281  -2.820
   60   3HG2  THR   8          HG23      THR   8   2.350  -3.682  -3.963
   61    H    CYS   9           HN       CYS   9   1.084  -2.965   0.734
   62    HA   CYS   9           HA       CYS   9   3.332  -4.800   0.223
   63   1HB   CYS   9          HB2       CYS   9   4.682  -3.668   1.985
   64   2HB   CYS   9          HB1       CYS   9   4.436  -2.673   0.557
   65    H    ALA  10           HN       ALA  10   1.028  -5.901   0.904
   66    HA   ALA  10           HA       ALA  10  -0.191  -7.008   2.633
   67   1HB   ALA  10          HB1       ALA  10   1.591  -7.760   4.457
   68   2HB   ALA  10          HB2       ALA  10   2.746  -7.085   3.308
   69   3HB   ALA  10          HB3       ALA  10   1.691  -8.410   2.820
   70    H    ALA  11           HN       ALA  11   0.210  -4.093   2.658
   71    HA   ALA  11           HA       ALA  11  -0.359  -3.523   5.521
   72   1HB   ALA  11          HB1       ALA  11   1.452  -2.105   5.614
   73   2HB   ALA  11          HB2       ALA  11   1.237  -1.582   3.945
   74   3HB   ALA  11          HB3       ALA  11   2.049  -3.104   4.294
   75    H    CYS  12           HN       CYS  12  -0.132  -2.019   2.252
   76    HA   CYS  12           HA       CYS  12  -2.931  -1.016   2.636
   77   1HB   CYS  12          HB2       CYS  12  -2.282   1.236   2.310
   78   2HB   CYS  12          HB1       CYS  12  -1.045   0.594   3.385
   79    HA   PRO  13           HA       PRO  13  -1.838  -2.123  -1.825
   80   1HB   PRO  13          HB2       PRO  13  -2.761  -4.709  -1.914
   81   2HB   PRO  13          HB1       PRO  13  -1.054  -4.322  -1.613
   82   1HG   PRO  13          HG2       PRO  13  -3.202  -5.035   0.330
   83   2HG   PRO  13          HG1       PRO  13  -1.506  -5.547   0.286
   84   1HD   PRO  13          HD2       PRO  13  -2.392  -3.611   1.958
   85   2HD   PRO  13          HD1       PRO  13  -0.756  -3.605   1.265
   86    H    ILE  14           HN       ILE  14  -4.148  -2.364   0.637
   87    HA   ILE  14           HA       ILE  14  -6.502  -2.555  -1.048
   88    HB   ILE  14           HB       ILE  14  -6.611  -3.685   1.054
   89   1HG1  ILE  14          HG12      ILE  14  -8.435  -2.509   2.212
   90   2HG1  ILE  14          HG11      ILE  14  -8.028  -1.019   1.360
   91   1HG2  ILE  14          HG21      ILE  14  -4.966  -2.881   2.450
   92   2HG2  ILE  14          HG22      ILE  14  -6.333  -2.003   3.135
   93   3HG2  ILE  14          HG23      ILE  14  -5.252  -1.201   1.994
   94   1HD1  ILE  14          HD11      ILE  14  -8.969  -1.724  -0.600
   95   2HD1  ILE  14          HD12      ILE  14  -9.899  -2.771   0.472
   96   3HD1  ILE  14          HD13      ILE  14  -8.473  -3.398  -0.354
   97    H    THR  15           HN       THR  15  -4.506  -0.207   0.374
   98    HA   THR  15           HA       THR  15  -6.426   2.016   0.188
   99    HB   THR  15           HB       THR  15  -3.733   1.334   1.173
  100    HG1  THR  15           HG1      THR  15  -5.319   1.667   2.639
  101   1HG2  THR  15          HG21      THR  15  -2.709   3.042   0.035
  102   2HG2  THR  15          HG22      THR  15  -3.431   4.030   1.304
  103   3HG2  THR  15          HG23      THR  15  -4.227   3.889  -0.263
  104    H    VAL  16           HN       VAL  16  -3.254   1.245  -1.237
  105    HA   VAL  16           HA       VAL  16  -3.879   2.866  -3.645
  106    HB   VAL  16           HB       VAL  16  -1.667   2.975  -2.460
  107   1HG1  VAL  16          HG11      VAL  16  -1.723   0.039  -3.138
  108   2HG1  VAL  16          HG12      VAL  16  -1.336   0.809  -1.600
  109   3HG1  VAL  16          HG13      VAL  16  -0.189   0.885  -2.937
  110   1HG2  VAL  16          HG21      VAL  16  -0.347   2.126  -4.651
  111   2HG2  VAL  16          HG22      VAL  16  -1.292   3.615  -4.639
  112   3HG2  VAL  16          HG23      VAL  16  -1.986   2.136  -5.302
  113    H    LYS  17           HN       LYS  17  -5.443   0.487  -3.078
  114    HA   LYS  17           HA       LYS  17  -4.507  -1.815  -4.441
  115   1HB   LYS  17          HB2       LYS  17  -6.354  -1.654  -2.753
  116   2HB   LYS  17          HB1       LYS  17  -7.343  -0.874  -3.986
  117   1HG   LYS  17          HG2       LYS  17  -6.540  -3.067  -5.359
  118   2HG   LYS  17          HG1       LYS  17  -6.554  -3.722  -3.721
  119   1HD   LYS  17          HD2       LYS  17  -8.901  -2.190  -3.919
  120   2HD   LYS  17          HD1       LYS  17  -8.795  -3.070  -5.443
  121   1HE   LYS  17          HE2       LYS  17  -8.174  -5.101  -3.818
  122   2HE   LYS  17          HE1       LYS  17  -9.116  -4.134  -2.665
  123   1HZ   LYS  17          HZ1       LYS  17 -10.630  -5.506  -3.879
  124   2HZ   LYS  17          HZ2       LYS  17  -9.968  -5.026  -5.368
  125   3HZ   LYS  17          HZ3       LYS  17 -10.834  -3.912  -4.422
  126    H    LYS  18           HN       LYS  18  -5.289   1.127  -5.684
  127    HA   LYS  18           HA       LYS  18  -5.544   1.873  -7.899
  128   1HB   LYS  18          HB2       LYS  18  -4.184  -0.614  -7.929
  129   2HB   LYS  18          HB1       LYS  18  -5.364  -0.669  -9.240
  130   1HG   LYS  18          HG2       LYS  18  -4.344   1.884  -9.474
  131   2HG   LYS  18          HG1       LYS  18  -2.927   0.953  -8.989
  132   1HD   LYS  18          HD2       LYS  18  -3.652  -0.740 -10.800
  133   2HD   LYS  18          HD1       LYS  18  -4.694   0.550 -11.402
  134   1HE   LYS  18          HE2       LYS  18  -2.270   1.851 -11.027
  135   2HE   LYS  18          HE1       LYS  18  -1.787   0.260 -11.649
  136   1HZ   LYS  18          HZ1       LYS  18  -3.825   2.076 -12.824
  137   2HZ   LYS  18          HZ2       LYS  18  -3.520   0.494 -13.364
  138   3HZ   LYS  18          HZ3       LYS  18  -2.317   1.686 -13.495
  Start of MODEL    9
    1   1H    THR   1           HT1      THR   1   3.895   8.621   4.595
    2   2H    THR   1           HT2      THR   1   4.332   8.277   6.201
    3   3H    THR   1           HT3      THR   1   2.919   7.604   5.538
    4    HA   THR   1           HA       THR   1   5.738   6.906   4.948
    5    HB   THR   1           HB       THR   1   3.217   5.577   5.960
    6    HG1  THR   1           HG1      THR   1   5.085   4.908   7.464
    7   1HG2  THR   1          HG21      THR   1   5.273   3.678   5.968
    8   2HG2  THR   1          HG22      THR   1   5.349   4.412   4.366
    9   3HG2  THR   1          HG23      THR   1   3.848   3.677   4.929
   10    H    LEU   2           HN       LEU   2   6.198   6.379   2.847
   11    HA   LEU   2           HA       LEU   2   3.899   5.777   1.012
   12   1HB   LEU   2          HB2       LEU   2   5.730   7.901   1.008
   13   2HB   LEU   2          HB1       LEU   2   6.311   6.811  -0.252
   14    HG   LEU   2           HG       LEU   2   3.446   7.773  -0.018
   15   1HD1  LEU   2          HD11      LEU   2   5.040   8.642  -2.324
   16   2HD1  LEU   2          HD12      LEU   2   5.636   9.278  -0.790
   17   3HD1  LEU   2          HD13      LEU   2   3.970   9.580  -1.281
   18   1HD2  LEU   2          HD21      LEU   2   3.429   5.730  -1.201
   19   2HD2  LEU   2          HD22      LEU   2   4.979   6.062  -1.974
   20   3HD2  LEU   2          HD23      LEU   2   3.536   6.938  -2.482
   21    H    ALA   3           HN       ALA   3   5.457   3.812   2.526
   22    HA   ALA   3           HA       ALA   3   6.152   2.000   0.381
   23   1HB   ALA   3          HB1       ALA   3   8.232   2.840   0.024
   24   2HB   ALA   3          HB2       ALA   3   8.655   2.137   1.586
   25   3HB   ALA   3          HB3       ALA   3   8.162   3.827   1.484
   26    H    VAL   4           HN       VAL   4   4.977   0.425   1.534
   27    HA   VAL   4           HA       VAL   4   5.800  -0.148   4.349
   28    HB   VAL   4           HB       VAL   4   3.668  -1.478   4.296
   29   1HG1  VAL   4          HG11      VAL   4   3.660   1.428   3.469
   30   2HG1  VAL   4          HG12      VAL   4   3.442   0.754   5.084
   31   3HG1  VAL   4          HG13      VAL   4   2.173   0.571   3.873
   32   1HG2  VAL   4          HG21      VAL   4   4.076  -1.232   1.498
   33   2HG2  VAL   4          HG22      VAL   4   2.606  -0.332   1.876
   34   3HG2  VAL   4          HG23      VAL   4   2.738  -2.034   2.321
   35    HA   PRO   5           HA       PRO   5   7.837  -3.879   3.254
   36   1HB   PRO   5          HB2       PRO   5   6.891  -5.674   5.104
   37   2HB   PRO   5          HB1       PRO   5   8.052  -4.390   5.501
   38   1HG   PRO   5          HG2       PRO   5   5.097  -4.460   5.913
   39   2HG   PRO   5          HG1       PRO   5   6.372  -3.868   6.992
   40   1HD   PRO   5          HD2       PRO   5   4.856  -2.201   5.508
   41   2HD   PRO   5          HD1       PRO   5   6.556  -1.850   5.891
   42    H    GLY   6           HN       GLY   6   5.980  -3.527   1.411
   43   1HA   GLY   6          HA2       GLY   6   5.324  -5.864   0.209
   44   2HA   GLY   6          HA1       GLY   6   4.010  -5.710   1.378
   45    H    MET   7           HN       MET   7   2.437  -5.392  -0.300
   46    HA   MET   7           HA       MET   7   1.894  -2.679  -0.993
   47   1HB   MET   7          HB2       MET   7   2.440  -2.973  -3.493
   48   2HB   MET   7          HB1       MET   7   3.818  -2.771  -2.409
   49   1HG   MET   7          HG2       MET   7   4.630  -4.784  -2.996
   50   2HG   MET   7          HG1       MET   7   3.109  -5.561  -2.552
   51   1HE   MET   7          HE1       MET   7   5.215  -6.188  -4.405
   52   2HE   MET   7          HE2       MET   7   5.245  -5.469  -6.013
   53   3HE   MET   7          HE3       MET   7   4.329  -6.947  -5.734
   54    H    THR   8           HN       THR   8  -0.318  -2.778  -1.204
   55    HA   THR   8           HA       THR   8  -2.464  -3.719  -1.577
   56    HB   THR   8           HB       THR   8  -0.797  -4.389  -4.013
   57    HG1  THR   8           HG1      THR   8  -2.780  -2.424  -3.520
   58   1HG2  THR   8          HG21      THR   8  -3.353  -5.430  -3.339
   59   2HG2  THR   8          HG22      THR   8  -2.506  -5.560  -4.881
   60   3HG2  THR   8          HG23      THR   8  -3.603  -4.210  -4.588
   61    H    CYS   9           HN       CYS   9  -2.229  -5.350   0.181
   62    HA   CYS   9           HA       CYS   9  -2.419  -8.080  -0.877
   63   1HB   CYS   9          HB2       CYS   9  -0.615  -8.863   0.653
   64   2HB   CYS   9          HB1       CYS   9  -0.027  -7.813  -0.630
   65    H    ALA  10           HN       ALA  10  -4.599  -7.032   0.171
   66    HA   ALA  10           HA       ALA  10  -6.098  -7.044   2.030
   67   1HB   ALA  10          HB1       ALA  10  -6.310  -9.324   2.048
   68   2HB   ALA  10          HB2       ALA  10  -5.222  -9.281   3.436
   69   3HB   ALA  10          HB3       ALA  10  -4.577  -9.560   1.818
   70    H    ALA  11           HN       ALA  11  -3.480  -5.692   2.159
   71    HA   ALA  11           HA       ALA  11  -3.170  -5.456   5.109
   72   1HB   ALA  11          HB1       ALA  11  -0.953  -6.062   4.929
   73   2HB   ALA  11          HB2       ALA  11  -0.777  -5.285   3.357
   74   3HB   ALA  11          HB3       ALA  11  -1.512  -6.881   3.474
   75    H    CYS  12           HN       CYS  12  -1.996  -4.127   1.969
   76    HA   CYS  12           HA       CYS  12  -2.828  -1.410   2.929
   77   1HB   CYS  12          HB2       CYS  12  -0.656  -0.513   2.568
   78   2HB   CYS  12          HB1       CYS  12  -0.379  -2.029   3.423
   79    HA   PRO  13           HA       PRO  13  -3.332  -2.093  -1.730
   80   1HB   PRO  13          HB2       PRO  13  -5.959  -2.900  -1.807
   81   2HB   PRO  13          HB1       PRO  13  -4.611  -4.059  -1.815
   82   1HG   PRO  13          HG2       PRO  13  -6.324  -3.169   0.462
   83   2HG   PRO  13          HG1       PRO  13  -5.749  -4.795   0.054
   84   1HD   PRO  13          HD2       PRO  13  -4.583  -3.315   1.982
   85   2HD   PRO  13          HD1       PRO  13  -3.658  -4.426   0.950
   86    H    ILE  14           HN       ILE  14  -4.799  -0.942   1.113
   87    HA   ILE  14           HA       ILE  14  -6.387   1.150  -0.150
   88    HB   ILE  14           HB       ILE  14  -7.329   0.044   1.769
   89   1HG1  ILE  14          HG12      ILE  14  -7.658   1.907   3.297
   90   2HG1  ILE  14          HG11      ILE  14  -6.193   2.694   2.709
   91   1HG2  ILE  14          HG21      ILE  14  -5.596  -0.969   2.928
   92   2HG2  ILE  14          HG22      ILE  14  -5.903   0.410   3.984
   93   3HG2  ILE  14          HG23      ILE  14  -4.563   0.458   2.838
   94   1HD1  ILE  14          HD11      ILE  14  -8.595   3.360   1.760
   95   2HD1  ILE  14          HD12      ILE  14  -8.290   1.981   0.703
   96   3HD1  ILE  14          HD13      ILE  14  -7.171   3.344   0.720
   97    H    THR  15           HN       THR  15  -3.353   0.638   1.327
   98    HA   THR  15           HA       THR  15  -2.744   3.516   1.620
   99    HB   THR  15           HB       THR  15  -1.889   0.880   2.555
  100    HG1  THR  15           HG1      THR  15  -2.280   2.017   4.253
  101   1HG2  THR  15          HG21      THR  15   0.200   1.070   1.550
  102   2HG2  THR  15          HG22      THR  15   0.496   1.939   3.055
  103   3HG2  THR  15          HG23      THR  15   0.166   2.833   1.572
  104    H    VAL  16           HN       VAL  16  -1.103   0.717   0.121
  105    HA   VAL  16           HA       VAL  16   0.125   2.495  -1.907
  106    HB   VAL  16           HB       VAL  16   0.329  -0.490  -1.353
  107   1HG1  VAL  16          HG11      VAL  16   2.654   0.529  -2.598
  108   2HG1  VAL  16          HG12      VAL  16   1.289   1.169  -3.513
  109   3HG1  VAL  16          HG13      VAL  16   1.465  -0.572  -3.294
  110   1HG2  VAL  16          HG21      VAL  16   2.728   0.714  -0.670
  111   2HG2  VAL  16          HG22      VAL  16   1.477   0.220   0.470
  112   3HG2  VAL  16          HG23      VAL  16   1.532   1.884  -0.112
  113    H    LYS  17           HN       LYS  17  -2.769   2.141  -1.941
  114    HA   LYS  17           HA       LYS  17  -3.726   0.176  -3.691
  115   1HB   LYS  17          HB2       LYS  17  -5.653   1.579  -3.841
  116   2HB   LYS  17          HB1       LYS  17  -4.945   1.927  -2.263
  117   1HG   LYS  17          HG2       LYS  17  -3.641   3.801  -3.480
  118   2HG   LYS  17          HG1       LYS  17  -4.811   3.581  -4.782
  119   1HD   LYS  17          HD2       LYS  17  -6.067   3.732  -2.138
  120   2HD   LYS  17          HD1       LYS  17  -5.174   5.194  -2.559
  121   1HE   LYS  17          HE2       LYS  17  -6.760   5.805  -4.059
  122   2HE   LYS  17          HE1       LYS  17  -6.719   4.208  -4.831
  123   1HZ   LYS  17          HZ1       LYS  17  -7.984   4.649  -2.190
  124   2HZ   LYS  17          HZ2       LYS  17  -8.167   3.321  -3.234
  125   3HZ   LYS  17          HZ3       LYS  17  -8.854   4.822  -3.636
  126    H    LYS  18           HN       LYS  18  -1.704   2.791  -4.324
  127    HA   LYS  18           HA       LYS  18  -2.334   3.288  -7.100
  128   1HB   LYS  18          HB2       LYS  18  -0.884   4.519  -5.201
  129   2HB   LYS  18          HB1       LYS  18   0.422   3.657  -6.014
  130   1HG   LYS  18          HG2       LYS  18   0.179   5.830  -7.065
  131   2HG   LYS  18          HG1       LYS  18  -0.397   4.602  -8.193
  132   1HD   LYS  18          HD2       LYS  18  -2.694   5.073  -7.661
  133   2HD   LYS  18          HD1       LYS  18  -2.229   6.105  -6.308
  134   1HE   LYS  18          HE2       LYS  18  -1.157   6.811  -9.015
  135   2HE   LYS  18          HE1       LYS  18  -2.861   7.173  -8.669
  136   1HZ   LYS  18          HZ1       LYS  18  -1.817   7.952  -6.400
  137   2HZ   LYS  18          HZ2       LYS  18  -1.896   8.999  -7.735
  138   3HZ   LYS  18          HZ3       LYS  18  -0.445   8.196  -7.366
  Start of MODEL   10
    1   1H    THR   1           HT1      THR   1   7.867   6.703   7.332
    2   2H    THR   1           HT2      THR   1   8.089   5.069   7.742
    3   3H    THR   1           HT3      THR   1   7.004   5.498   6.508
    4    HA   THR   1           HA       THR   1   8.780   6.221   5.086
    5    HB   THR   1           HB       THR   1  10.617   5.473   7.372
    6    HG1  THR   1           HG1      THR   1   9.378   7.938   6.748
    7   1HG2  THR   1          HG21      THR   1  10.875   6.922   4.747
    8   2HG2  THR   1          HG22      THR   1  11.847   5.592   5.376
    9   3HG2  THR   1          HG23      THR   1  12.029   7.212   6.048
   10    H    LEU   2           HN       LEU   2   7.450   3.630   6.248
   11    HA   LEU   2           HA       LEU   2   9.356   1.728   4.923
   12   1HB   LEU   2          HB2       LEU   2   7.615   1.369   7.384
   13   2HB   LEU   2          HB1       LEU   2   8.564   0.084   6.636
   14    HG   LEU   2           HG       LEU   2   9.885   2.666   7.436
   15   1HD1  LEU   2          HD11      LEU   2  10.177   1.980   9.653
   16   2HD1  LEU   2          HD12      LEU   2   9.803   0.296   9.285
   17   3HD1  LEU   2          HD13      LEU   2   8.510   1.494   9.341
   18   1HD2  LEU   2          HD21      LEU   2  10.819  -0.216   7.228
   19   2HD2  LEU   2          HD22      LEU   2  11.841   1.165   7.629
   20   3HD2  LEU   2          HD23      LEU   2  11.109   1.044   6.029
   21    H    ALA   3           HN       ALA   3   8.410   0.511   3.316
   22    HA   ALA   3           HA       ALA   3   5.502  -0.021   3.349
   23   1HB   ALA   3          HB1       ALA   3   6.874   2.032   1.727
   24   2HB   ALA   3          HB2       ALA   3   5.171   1.904   2.166
   25   3HB   ALA   3          HB3       ALA   3   5.803   0.975   0.807
   26    H    VAL   4           HN       VAL   4   5.666  -2.230   3.045
   27    HA   VAL   4           HA       VAL   4   7.731  -3.621   1.689
   28    HB   VAL   4           HB       VAL   4   6.108  -5.477   1.742
   29   1HG1  VAL   4          HG11      VAL   4   5.746  -5.511   4.102
   30   2HG1  VAL   4          HG12      VAL   4   5.667  -3.751   4.187
   31   3HG1  VAL   4          HG13      VAL   4   7.205  -4.550   3.860
   32   1HG2  VAL   4          HG21      VAL   4   3.929  -3.866   2.888
   33   2HG2  VAL   4          HG22      VAL   4   3.859  -5.159   1.690
   34   3HG2  VAL   4          HG23      VAL   4   4.249  -3.513   1.189
   35    HA   PRO   5           HA       PRO   5   6.823  -3.126  -2.574
   36   1HB   PRO   5          HB2       PRO   5   7.371  -5.616  -3.568
   37   2HB   PRO   5          HB1       PRO   5   8.634  -4.496  -3.019
   38   1HG   PRO   5          HG2       PRO   5   7.453  -6.846  -1.628
   39   2HG   PRO   5          HG1       PRO   5   9.127  -6.268  -1.649
   40   1HD   PRO   5          HD2       PRO   5   7.399  -5.847   0.427
   41   2HD   PRO   5          HD1       PRO   5   8.771  -4.782   0.049
   42    H    GLY   6           HN       GLY   6   4.792  -2.972  -3.450
   43   1HA   GLY   6          HA2       GLY   6   2.968  -4.259  -4.585
   44   2HA   GLY   6          HA1       GLY   6   2.975  -5.336  -3.188
   45    H    MET   7           HN       MET   7   3.349  -2.998  -1.345
   46    HA   MET   7           HA       MET   7   1.948  -1.595  -0.061
   47   1HB   MET   7          HB2       MET   7   0.886  -1.194  -2.876
   48   2HB   MET   7          HB1       MET   7   0.448  -0.172  -1.507
   49   1HG   MET   7          HG2       MET   7   2.242   1.059  -2.209
   50   2HG   MET   7          HG1       MET   7   3.148  -0.130  -1.274
   51   1HE   MET   7          HE1       MET   7   5.603  -1.229  -3.295
   52   2HE   MET   7          HE2       MET   7   5.020  -0.252  -1.949
   53   3HE   MET   7          HE3       MET   7   5.476   0.528  -3.461
   54    H    THR   8           HN       THR   8  -0.849  -1.059  -0.495
   55    HA   THR   8           HA       THR   8  -2.939  -2.023   0.048
   56    HB   THR   8           HB       THR   8  -1.561  -4.025  -1.747
   57    HG1  THR   8           HG1      THR   8  -2.233  -2.375  -2.925
   58   1HG2  THR   8          HG21      THR   8  -3.023  -5.592  -1.035
   59   2HG2  THR   8          HG22      THR   8  -4.270  -4.628  -1.826
   60   3HG2  THR   8          HG23      THR   8  -3.949  -4.414  -0.105
   61    H    CYS   9           HN       CYS   9  -2.087  -2.143   2.353
   62    HA   CYS   9           HA       CYS   9  -2.110  -4.957   3.269
   63   1HB   CYS   9          HB2       CYS   9  -0.099  -4.471   4.666
   64   2HB   CYS   9          HB1       CYS   9   0.233  -4.459   2.940
   65    H    ALA  10           HN       ALA  10  -4.325  -3.600   3.737
   66    HA   ALA  10           HA       ALA  10  -5.658  -2.521   5.397
   67   1HB   ALA  10          HB1       ALA  10  -4.723  -4.757   6.375
   68   2HB   ALA  10          HB2       ALA  10  -5.371  -3.578   7.516
   69   3HB   ALA  10          HB3       ALA  10  -3.628  -3.725   7.295
   70    H    ALA  11           HN       ALA  11  -3.252  -1.249   4.255
   71    HA   ALA  11           HA       ALA  11  -2.746   0.831   6.323
   72   1HB   ALA  11          HB1       ALA  11  -1.047  -1.219   5.711
   73   2HB   ALA  11          HB2       ALA  11  -0.496   0.360   6.258
   74   3HB   ALA  11          HB3       ALA  11  -0.535  -0.013   4.536
   75    H    CYS  12           HN       CYS  12  -1.868  -0.019   2.925
   76    HA   CYS  12           HA       CYS  12  -2.971   2.657   2.105
   77   1HB   CYS  12          HB2       CYS  12  -0.958   3.176   0.961
   78   2HB   CYS  12          HB1       CYS  12  -0.421   2.496   2.495
   79    HA   PRO  13           HA       PRO  13  -3.888  -0.798  -0.996
   80   1HB   PRO  13          HB2       PRO  13  -6.386  -1.568  -0.148
   81   2HB   PRO  13          HB1       PRO  13  -4.911  -2.428   0.342
   82   1HG   PRO  13          HG2       PRO  13  -6.490  -0.385   1.835
   83   2HG   PRO  13          HG1       PRO  13  -5.745  -1.882   2.421
   84   1HD   PRO  13          HD2       PRO  13  -4.612   0.540   2.814
   85   2HD   PRO  13          HD1       PRO  13  -3.651  -0.937   2.576
   86    H    ILE  14           HN       ILE  14  -5.140   1.861   0.696
   87    HA   ILE  14           HA       ILE  14  -7.147   2.624  -1.263
   88    HB   ILE  14           HB       ILE  14  -7.757   4.255   0.356
   89   1HG1  ILE  14          HG12      ILE  14  -5.037   3.802   1.628
   90   2HG1  ILE  14          HG11      ILE  14  -5.440   5.170   0.590
   91   1HG2  ILE  14          HG21      ILE  14  -7.909   1.755   1.047
   92   2HG2  ILE  14          HG22      ILE  14  -8.084   2.971   2.312
   93   3HG2  ILE  14          HG23      ILE  14  -6.553   2.118   2.115
   94   1HD1  ILE  14          HD11      ILE  14  -5.651   5.777   2.974
   95   2HD1  ILE  14          HD12      ILE  14  -6.821   4.478   3.200
   96   3HD1  ILE  14          HD13      ILE  14  -7.214   5.848   2.162
   97    H    THR  15           HN       THR  15  -3.885   3.176  -0.485
   98    HA   THR  15           HA       THR  15  -3.634   5.655  -2.071
   99    HB   THR  15           HB       THR  15  -2.246   4.061  -0.047
  100    HG1  THR  15           HG1      THR  15  -2.605   6.018   0.639
  101   1HG2  THR  15          HG21      THR  15  -0.735   4.988  -2.465
  102   2HG2  THR  15          HG22      THR  15  -0.462   3.573  -1.449
  103   3HG2  THR  15          HG23      THR  15   0.029   5.170  -0.886
  104    H    VAL  16           HN       VAL  16  -1.978   2.496  -2.045
  105    HA   VAL  16           HA       VAL  16  -1.518   2.691  -4.968
  106    HB   VAL  16           HB       VAL  16  -0.709   0.719  -2.797
  107   1HG1  VAL  16          HG11      VAL  16  -0.615  -0.618  -4.698
  108   2HG1  VAL  16          HG12      VAL  16   0.985   0.122  -4.741
  109   3HG1  VAL  16          HG13      VAL  16  -0.304   0.748  -5.769
  110   1HG2  VAL  16          HG21      VAL  16   0.445   3.194  -3.936
  111   2HG2  VAL  16          HG22      VAL  16   1.575   1.848  -3.790
  112   3HG2  VAL  16          HG23      VAL  16   0.723   2.442  -2.365
  113    H    LYS  17           HN       LYS  17  -4.236   2.509  -4.097
  114    HA   LYS  17           HA       LYS  17  -5.241  -0.148  -4.030
  115   1HB   LYS  17          HB2       LYS  17  -6.283   2.144  -3.393
  116   2HB   LYS  17          HB1       LYS  17  -6.726   2.238  -5.098
  117   1HG   LYS  17          HG2       LYS  17  -8.020   0.211  -4.953
  118   2HG   LYS  17          HG1       LYS  17  -7.422  -0.117  -3.326
  119   1HD   LYS  17          HD2       LYS  17  -8.451   2.192  -2.721
  120   2HD   LYS  17          HD1       LYS  17  -9.356   2.011  -4.224
  121   1HE   LYS  17          HE2       LYS  17  -9.337  -0.356  -2.412
  122   2HE   LYS  17          HE1       LYS  17 -10.288   1.048  -1.885
  123   1HZ   LYS  17          HZ1       LYS  17 -11.392   1.111  -3.993
  124   2HZ   LYS  17          HZ2       LYS  17 -11.533  -0.467  -3.378
  125   3HZ   LYS  17          HZ3       LYS  17 -10.413  -0.128  -4.610
  126    H    LYS  18           HN       LYS  18  -3.803   1.485  -6.504
  127    HA   LYS  18           HA       LYS  18  -3.483   0.875  -8.760
  128   1HB   LYS  18          HB2       LYS  18  -3.902  -1.425  -7.589
  129   2HB   LYS  18          HB1       LYS  18  -5.495  -1.324  -8.341
  130   1HG   LYS  18          HG2       LYS  18  -3.810  -0.637 -10.419
  131   2HG   LYS  18          HG1       LYS  18  -2.885  -1.875  -9.567
  132   1HD   LYS  18          HD2       LYS  18  -4.326  -2.917 -11.259
  133   2HD   LYS  18          HD1       LYS  18  -4.858  -3.378  -9.641
  134   1HE   LYS  18          HE2       LYS  18  -6.914  -2.730 -10.463
  135   2HE   LYS  18          HE1       LYS  18  -6.335  -1.115 -10.008
  136   1HZ   LYS  18          HZ1       LYS  18  -6.952  -1.011 -12.287
  137   2HZ   LYS  18          HZ2       LYS  18  -6.100  -2.434 -12.657
  138   3HZ   LYS  18          HZ3       LYS  18  -5.257  -1.018 -12.241