*HEADER    UNKNOWN FUNCTION                        23-OCT-13   2MFV              
*TITLE     STRUCTURE OF LASSO PEPTIDE XANTHOMONIN II                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: XANTHOMONIN II;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 29-42;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: XANTHOMONAS GARDNERI;                           
*SOURCE   3 ORGANISM_TAXID: 925777;                                              
*SOURCE   4 STRAIN: ATCC 19865;                                                  
*SOURCE   5 GENE: XGAA2, XGA_4059;                                               
*SOURCE   6 EXPRESSION_SYSTEM: XANTHOMONAS GARDNERI;                             
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 90270;                                      
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: DSM19127;                                  
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET41A                                    
*KEYWDS    LASSO PEPTIDE, SEVEN-RESIDUE LASSO RING, UNKNOWN FUNCTION             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    J.D.HEGEMANN, M.ZIMMERMANN, K.HARMS, X.XIE, M.A.MARAHIEL              
*REVDAT   1   29-OCT-14 2MFV    0                                                


# CYANA Upper Limit File for molecule named: xanii14dm7p.upl  
# based on NOESY 100 ms in DMSO-d6 at 305 K  
# Atom names according to the convention of cyana.lib 
# Upper limit distances produced by CYANA "caliba bb=1.64E+10"
# bb calculated manually by checking all the methylene peaks
# Partial stereo specific assignment to methylene protons
# done manually
# The stereo specific not assigned methylene protons are
# adjusted with the command "distance modify"
# Use the modified residue GLUP (side chain with a single OE
# for the -C=O) in the library cyana.lib edit by Xie

# Manual Input for proper geometry  
# of side-chain/backbone peptide bond 
  1 GLY  N       7 GLUP CD      1.33  
  1 GLY  N       7 GLUP OE      2.26  
  1 GLY  N       7 GLUP CD      2.41  
  1 GLY  H       7 GLUP CD      2.06  
  1 GLY  CA      7 GLUP CD      2.42  
  1 GLY  H       1 GLY  CA      2.09  
  1 GLY  CA      7 GLUP OE      2.78  
  1 GLY  H       7 GLUP OE      3.17  
# END Manual Input

  1 GLY  H       2 GLY  H       3.92            #peak   162
  1 GLY  H       7 GLUP QB      4.24            #peak   197
  1 GLY  H       7 GLUP QG      3.11            #peak   192
  1 GLY  H      11 GLY  H       3.42            #peak   172
  1 GLY  H      11 GLY  HA2     3.08            #peak   130
  1 GLY  HA2     2 GLY  H       2.40            #peak   141
  1 GLY  HA3     2 GLY  H       3.30            #peak   160
  2 GLY  H      11 GLY  H       3.17            #peak    42
  2 GLY  HA2    12 ILE  QG2     5.68            #peak   203
  2 GLY  HA3     3 PRO  HD2     2.40            #peak    66
  2 GLY  HA3     3 PRO  HD3     2.52            #peak   113
  3 PRO  HA      4 LEU  H       3.08            #peak   177
  3 PRO  HG2     4 LEU  H       3.86            #peak   155
  3 PRO  HG2     4 LEU  QB      4.49            #peak   101
  3 PRO  HG2     4 LEU  HG      3.02            #peak   147
  3 PRO  HG2    12 ILE  HG13    2.56            #peak   107
  3 PRO  HD2     4 LEU  H       3.39            #peak   190
  3 PRO  HD2    12 ILE  HA      4.23            #peak   174
  3 PRO  HD2    12 ILE  QG2     4.63            #peak    79
  3 PRO  HD2    12 ILE  HG13    5.50            #peak   189
  3 PRO  HD3     4 LEU  H       5.00            #peak   158
  3 PRO  HD3    12 ILE  QG2     5.59            #peak   202
  4 LEU  H       4 LEU  QB      3.47            #peak   123
  4 LEU  H       4 LEU  QQD     5.94            #peak   154
  4 LEU  H       5 ALA  H       3.45            #peak   163
  4 LEU  H      11 GLY  H       2.62            #peak    49
  4 LEU  HA      4 LEU  HG      2.52            #peak   182
  4 LEU  HA      4 LEU  QQD     3.41            #peak    76
  4 LEU  HA      5 ALA  H       3.45            #peak   183
  4 LEU  HA     12 ILE  QG2     4.07            #peak    54
  4 LEU  QB      5 ALA  H       3.28            #peak   118
  4 LEU  QB     12 ILE  HA      3.81            #peak    71
  4 LEU  QB     13 THR  H       4.34            #peak   125
  4 LEU  QQD     5 ALA  H       5.11            #peak   204
  4 LEU  QQD    12 ILE  HA      4.23            #peak    51
  5 ALA  H       5 ALA  QB      3.98            #peak    31
  5 ALA  H      13 THR  H       2.68            #peak    47
  5 ALA  H      14 THR  HA      3.58            #peak   184
  5 ALA  HA      6 GLY  H       2.43            #peak    22
  5 ALA  HA     10 GLY  QA      3.38            #peak   178
  5 ALA  QB      6 GLY  H       3.57            #peak   124
  5 ALA  QB      6 GLY  HA3     4.41            #peak    75
  5 ALA  QB     14 THR  HA      5.15            #peak    57
  6 GLY  H       8 GLU  H       4.72            #peak   165
  6 GLY  HA2     7 GLUP H       3.02            #peak    12
  6 GLY  HA3     7 GLUP H       3.08            #peak    14
  6 GLY  HA3    13 THR  HB      3.89            #peak   176
  6 GLY  HA3    13 THR  QG2     5.15            #peak   173
  7 GLUP H       7 GLUP QB      4.09            #peak     9
  7 GLUP H       7 GLUP QG      2.85            #peak   195
  7 GLUP H       8 GLU  H       3.52            #peak   164
  7 GLUP H      11 GLY  HA3     2.77            #peak   136
  7 GLUP HA      7 GLUP QG      3.56            #peak    61
  7 GLUP HA      8 GLU  H       2.62            #peak   131
  7 GLUP HA      8 GLU  QB      3.53            #peak    86
  7 GLUP QG      9 MET  H       3.14            #peak    37
  7 GLUP QG     11 GLY  HA2     3.90            #peak    64
  7 GLUP QG     12 ILE  HA      4.47            #peak    98
  8 GLU  H       8 GLU  HA      2.74            #peak   140
  8 GLU  H       8 GLU  QB      3.28            #peak    28
  8 GLU  H       8 GLU  QG      4.86            #peak   193
  8 GLU  H       9 MET  H       2.87            #peak    48
  8 GLU  QB      9 MET  H       3.78            #peak   116
  8 GLU  QG      9 MET  H       4.49            #peak   191
  9 MET  H       9 MET  HB2     3.14            #peak   198
  9 MET  H       9 MET  HB3     3.73            #peak   169
  9 MET  H      10 GLY  H       3.98            #peak   152
  9 MET  HA      9 MET  HB3     2.87            #peak    91
  9 MET  HA     10 GLY  H       2.40            #peak   138
 10 GLY  H      10 GLY  HA2     2.93            #peak   144
 10 GLY  H      10 GLY  HA3     2.93            #peak   139
 10 GLY  H      10 GLY  QA      2.32            #peak   144
 10 GLY  HA2    11 GLY  H       2.65            #peak   128
 10 GLY  HA3    11 GLY  H       2.65            #peak   127
 10 GLY  QA     11 GLY  H       2.23            #peak   127
 11 GLY  HA2    12 ILE  H       2.40            #peak   142
 11 GLY  HA3    12 ILE  H       2.40            #peak   135
 11 GLY  HA3    13 THR  H       3.36            #peak     6
 12 ILE  H      12 ILE  HA      2.68            #peak   133
 12 ILE  H      12 ILE  HB      3.64            #peak   156
 12 ILE  H      12 ILE  QG2     5.00            #peak    19
 12 ILE  H      12 ILE  HG12    2.80            #peak    18
 12 ILE  H      12 ILE  HG13    3.30            #peak    16
 12 ILE  H      13 THR  H       2.40            #peak    46
 12 ILE  HA     12 ILE  HB      2.40            #peak    87
 12 ILE  HA     12 ILE  QG2     3.67            #peak    73
 12 ILE  HA     12 ILE  HG13    2.46            #peak    55
 12 ILE  HA     13 THR  H       2.87            #peak   137
 12 ILE  HB     12 ILE  HG12    2.87            #peak   102
 13 THR  H      13 THR  HB      2.99            #peak     4
 13 THR  H      13 THR  QG2     4.50            #peak     8
 13 THR  HA     13 THR  HB      2.59            #peak    68
 13 THR  HA     14 THR  H       2.40            #peak   132
 13 THR  HA     14 THR  QG2     5.50            #peak   199
 13 THR  HB     14 THR  H       3.27            #peak   159
 13 THR  QG2    14 THR  H       4.26            #peak   120
 14 THR  H      14 THR  QG2     4.78            #peak   121

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1   1.605   0.086   0.380
    2    HA2  GLY   1           HA3      GLY   1   1.437   0.273  -2.230
    3    HA3  GLY   1           HA2      GLY   1   3.023   1.038  -2.048
    4    H    GLY   2           H        GLY   2   2.980  -1.695   0.230
    5    HA2  GLY   2           HA3      GLY   2   4.221  -3.448  -1.771
    6    HA3  GLY   2           HA2      GLY   2   5.277  -2.663  -0.588
    7    HA   PRO   3           HA       PRO   3   3.135  -6.412   1.430
    8    HB2  PRO   3           HB2      PRO   3   5.035  -8.399   1.244
    9    HB3  PRO   3           HB3      PRO   3   4.131  -7.859  -0.206
   10    HG2  PRO   3           HG2      PRO   3   6.845  -6.709   0.707
   11    HG3  PRO   3           HG3      PRO   3   6.541  -7.625  -0.821
   12    HD2  PRO   3           HD2      PRO   3   6.333  -4.901  -0.848
   13    HD3  PRO   3           HD3      PRO   3   5.019  -5.877  -1.623
   14    H    LEU   4           H        LEU   4   4.258  -4.143   2.835
   15    HA   LEU   4           HA       LEU   4   5.263  -5.451   5.300
   16    HB2  LEU   4           HB2      LEU   4   6.958  -3.644   3.514
   17    HB3  LEU   4           HB3      LEU   4   7.356  -3.840   5.211
   18    HG   LEU   4           HG       LEU   4   7.553  -6.114   3.248
   19   HD11  LEU   4          HD11      LEU   4   9.560  -4.114   4.416
   20   HD12  LEU   4          HD12      LEU   4   9.234  -4.535   2.706
   21   HD13  LEU   4          HD13      LEU   4  10.057  -5.712   3.762
   22   HD21  LEU   4          HD21      LEU   4   7.992  -5.868   6.280
   23   HD22  LEU   4          HD22      LEU   4   8.824  -7.105   5.299
   24   HD23  LEU   4          HD23      LEU   4   7.054  -7.100   5.398
   25    H    ALA   5           H        ALA   5   5.991  -2.816   6.402
   26    HA   ALA   5           HA       ALA   5   3.355  -1.495   6.454
   27    HB1  ALA   5           HB1      ALA   5   3.539  -2.715   8.469
   28    HB2  ALA   5           HB2      ALA   5   5.202  -2.186   8.724
   29    HB3  ALA   5           HB3      ALA   5   3.877  -1.033   8.882
   30    H    GLY   6           H        GLY   6   3.554   0.445   5.444
   31    HA2  GLY   6           HA3      GLY   6   5.560   2.380   6.377
   32    HA3  GLY   6           HA2      GLY   6   5.665   1.900   4.671
   33    H    GLU   7           H        GLU   7   2.825   1.822   3.991
   34    HA   GLU   7           HA       GLU   7   2.093   4.710   4.185
   35    HB2  GLU   7           HB2      GLU   7   0.826   4.097   1.915
   36    HB3  GLU   7           HB3      GLU   7   2.588   4.374   1.820
   37    HG2  GLU   7           HG2      GLU   7   3.047   2.062   1.919
   38    HG3  GLU   7           HG3      GLU   7   1.323   1.578   2.188
   39    H    GLU   8           H        GLU   8  -0.403   4.742   3.713
   40    HA   GLU   8           HA       GLU   8  -1.642   3.399   5.844
   41    HB2  GLU   8           HB2      GLU   8  -2.449   5.485   4.330
   42    HB3  GLU   8           HB3      GLU   8  -3.198   4.188   3.367
   43    HG2  GLU   8           HG2      GLU   8  -4.317   3.480   5.691
   44    HG3  GLU   8           HG3      GLU   8  -3.672   5.033   6.303
   45    H    MET   9           H        MET   9  -1.153   2.234   2.434
   46    HA   MET   9           HA       MET   9  -3.002  -0.082   3.003
   47    HB2  MET   9           HB2      MET   9  -1.999   1.164   0.400
   48    HB3  MET   9           HB3      MET   9  -3.048  -0.271   0.474
   49    HG2  MET   9           HG2      MET   9  -4.040   2.255   1.878
   50    HG3  MET   9           HG3      MET   9  -4.080   2.179   0.100
   51    HE1  MET   9           HE1      MET   9  -6.063   0.208   3.290
   52    HE2  MET   9           HE2      MET   9  -6.291   1.940   2.862
   53    HE3  MET   9           HE3      MET   9  -7.518   0.727   2.384
   54    H    GLY  10           H        GLY  10  -0.621  -0.600   4.309
   55    HA2  GLY  10           HA3      GLY  10   0.950  -2.340   4.357
   56    HA3  GLY  10           HA2      GLY  10   0.265  -2.933   2.854
   57    H    GLY  11           H        GLY  11   3.156  -1.404   4.132
   58    HA2  GLY  11           HA3      GLY  11   3.773  -0.005   1.543
   59    HA3  GLY  11           HA2      GLY  11   4.451   0.331   3.149
   60    H    ILE  12           H        ILE  12   6.460   0.110   1.467
   61    HA   ILE  12           HA       ILE  12   7.149  -2.766   1.466
   62    HB   ILE  12           HB       ILE  12   7.382  -1.396  -0.609
   63   HG12  ILE  12          HG12      ILE  12   9.844  -3.032   0.244
   64   HG13  ILE  12          HG13      ILE  12   8.285  -3.713  -0.278
   65   HG21  ILE  12          HG21      ILE  12   9.179   0.135  -0.969
   66   HG22  ILE  12          HG22      ILE  12   8.776   0.484   0.736
   67   HG23  ILE  12          HG23      ILE  12  10.173  -0.555   0.340
   68   HD11  ILE  12          HD11      ILE  12  10.256  -2.134  -1.982
   69   HD12  ILE  12          HD12      ILE  12   9.728  -3.834  -2.163
   70   HD13  ILE  12          HD13      ILE  12   8.568  -2.508  -2.487
   71    H    THR  13           H        THR  13   7.162  -0.928   3.995
   72    HA   THR  13           HA       THR  13  10.020  -1.295   4.622
   73    HB   THR  13           HB       THR  13   9.571   0.609   6.316
   74    HG1  THR  13           HG1      THR  13   7.895   2.027   5.614
   75   HG21  THR  13          HG21      THR  13  11.001   1.433   4.789
   76   HG22  THR  13          HG22      THR  13   9.581   2.224   4.106
   77   HG23  THR  13          HG23      THR  13  10.139   0.688   3.444
   78    H    THR  14           H        THR  14  10.469  -2.608   6.261
   79    HA   THR  14           HA       THR  14   8.339  -3.761   7.820
   80    HB   THR  14           HB       THR  14  10.143  -5.208   7.089
   81    HG1  THR  14           HG1      THR  14  10.375  -6.238   9.012
   82   HG21  THR  14          HG21      THR  14  12.020  -3.786   6.928
   83   HG22  THR  14          HG22      THR  14  12.408  -4.918   8.223
   84   HG23  THR  14          HG23      THR  14  11.882  -3.281   8.612
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1   1.407  -0.340   0.681
    2    HA2  GLY   1           HA3      GLY   1   1.190   0.061  -2.149
    3    HA3  GLY   1           HA2      GLY   1   2.659   0.878  -1.509
    4    H    GLY   2           H        GLY   2   2.828  -1.959   0.396
    5    HA2  GLY   2           HA3      GLY   2   4.064  -3.609  -1.622
    6    HA3  GLY   2           HA2      GLY   2   5.123  -2.707  -0.495
    7    HA   PRO   3           HA       PRO   3   3.185  -6.501   1.546
    8    HB2  PRO   3           HB2      PRO   3   5.193  -8.422   1.411
    9    HB3  PRO   3           HB3      PRO   3   4.210  -8.002  -0.014
   10    HG2  PRO   3           HG2      PRO   3   6.909  -6.759   0.719
   11    HG3  PRO   3           HG3      PRO   3   6.525  -7.686  -0.761
   12    HD2  PRO   3           HD2      PRO   3   6.273  -4.920  -0.812
   13    HD3  PRO   3           HD3      PRO   3   4.985  -5.927  -1.546
   14    H    LEU   4           H        LEU   4   4.417  -4.152   2.866
   15    HA   LEU   4           HA       LEU   4   5.398  -5.456   5.351
   16    HB2  LEU   4           HB2      LEU   4   6.933  -3.507   3.584
   17    HB3  LEU   4           HB3      LEU   4   7.457  -3.740   5.197
   18    HG   LEU   4           HG       LEU   4   7.617  -5.991   3.273
   19   HD11  LEU   4          HD11      LEU   4   9.196  -4.314   2.636
   20   HD12  LEU   4          HD12      LEU   4  10.152  -5.445   3.621
   21   HD13  LEU   4          HD13      LEU   4   9.601  -3.906   4.324
   22   HD21  LEU   4          HD21      LEU   4   7.367  -6.972   5.492
   23   HD22  LEU   4          HD22      LEU   4   8.273  -5.648   6.268
   24   HD23  LEU   4          HD23      LEU   4   9.129  -6.845   5.268
   25    H    ALA   5           H        ALA   5   6.075  -2.799   6.430
   26    HA   ALA   5           HA       ALA   5   3.412  -1.536   6.530
   27    HB1  ALA   5           HB1      ALA   5   5.306  -2.178   8.778
   28    HB2  ALA   5           HB2      ALA   5   3.947  -1.067   8.949
   29    HB3  ALA   5           HB3      ALA   5   3.657  -2.759   8.543
   30    H    GLY   6           H        GLY   6   4.278   0.092   4.999
   31    HA2  GLY   6           HA3      GLY   6   5.604   2.361   6.433
   32    HA3  GLY   6           HA2      GLY   6   5.984   1.929   4.742
   33    H    GLU   7           H        GLU   7   2.754   1.563   4.447
   34    HA   GLU   7           HA       GLU   7   2.106   4.452   4.319
   35    HB2  GLU   7           HB2      GLU   7   0.795   3.788   2.068
   36    HB3  GLU   7           HB3      GLU   7   2.501   4.129   1.994
   37    HG2  GLU   7           HG2      GLU   7   2.971   1.887   1.758
   38    HG3  GLU   7           HG3      GLU   7   1.449   1.284   2.514
   39    H    GLU   8           H        GLU   8  -0.407   4.528   3.846
   40    HA   GLU   8           HA       GLU   8  -1.610   3.311   6.077
   41    HB2  GLU   8           HB2      GLU   8  -2.444   5.330   4.365
   42    HB3  GLU   8           HB3      GLU   8  -3.324   3.978   3.648
   43    HG2  GLU   8           HG2      GLU   8  -4.865   4.848   5.251
   44    HG3  GLU   8           HG3      GLU   8  -4.085   3.602   6.255
   45    H    MET   9           H        MET   9  -1.341   2.121   2.644
   46    HA   MET   9           HA       MET   9  -2.958  -0.301   3.442
   47    HB2  MET   9           HB2      MET   9  -2.422   0.974   0.699
   48    HB3  MET   9           HB3      MET   9  -3.214  -0.600   0.952
   49    HG2  MET   9           HG2      MET   9  -5.015   0.495   2.322
   50    HG3  MET   9           HG3      MET   9  -4.284   2.092   2.004
   51    HE1  MET   9           HE1      MET   9  -5.114   2.727  -1.747
   52    HE2  MET   9           HE2      MET   9  -4.076   3.158  -0.347
   53    HE3  MET   9           HE3      MET   9  -3.610   1.801  -1.437
   54    H    GLY  10           H        GLY  10  -0.702  -0.794   4.583
   55    HA2  GLY  10           HA3      GLY  10   0.951  -2.440   4.575
   56    HA3  GLY  10           HA2      GLY  10   0.174  -3.099   3.126
   57    H    GLY  11           H        GLY  11   2.669  -0.971   4.232
   58    HA2  GLY  11           HA3      GLY  11   3.563  -0.161   1.471
   59    HA3  GLY  11           HA2      GLY  11   4.266   0.471   2.899
   60    H    ILE  12           H        ILE  12   6.224   0.073   1.395
   61    HA   ILE  12           HA       ILE  12   6.999  -2.773   1.494
   62    HB   ILE  12           HB       ILE  12   7.170  -1.447  -0.644
   63   HG12  ILE  12          HG12      ILE  12   9.711  -2.977   0.293
   64   HG13  ILE  12          HG13      ILE  12   8.209  -3.765  -0.171
   65   HG21  ILE  12          HG21      ILE  12   8.846   0.107  -1.066
   66   HG22  ILE  12          HG22      ILE  12   8.520   0.491   0.648
   67   HG23  ILE  12          HG23      ILE  12   9.924  -0.525   0.207
   68   HD11  ILE  12          HD11      ILE  12   8.384  -2.637  -2.470
   69   HD12  ILE  12          HD12      ILE  12  10.030  -2.107  -2.000
   70   HD13  ILE  12          HD13      ILE  12   9.636  -3.851  -2.073
   71    H    THR  13           H        THR  13   7.049  -0.868   3.963
   72    HA   THR  13           HA       THR  13   9.946  -1.002   4.494
   73    HB   THR  13           HB       THR  13   9.825   0.957   5.798
   74    HG1  THR  13           HG1      THR  13   8.006   0.771   6.998
   75   HG21  THR  13          HG21      THR  13   7.928   1.421   3.493
   76   HG22  THR  13          HG22      THR  13   9.686   1.353   3.358
   77   HG23  THR  13          HG23      THR  13   8.922   2.634   4.300
   78    H    THR  14           H        THR  14  10.570  -2.309   6.076
   79    HA   THR  14           HA       THR  14   8.607  -3.624   7.735
   80    HB   THR  14           HB       THR  14  10.540  -4.859   6.780
   81    HG1  THR  14           HG1      THR  14   9.450  -5.503   8.778
   82   HG21  THR  14          HG21      THR  14  12.155  -3.273   8.781
   83   HG22  THR  14          HG22      THR  14  12.228  -3.089   7.029
   84   HG23  THR  14          HG23      THR  14  12.749  -4.597   7.780
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1   1.566  -0.225   0.561
    2    HA2  GLY   1           HA3      GLY   1   1.452   0.254  -2.243
    3    HA3  GLY   1           HA2      GLY   1   2.911   1.013  -1.564
    4    H    GLY   2           H        GLY   2   2.964  -1.866   0.321
    5    HA2  GLY   2           HA3      GLY   2   4.255  -3.491  -1.729
    6    HA3  GLY   2           HA2      GLY   2   5.270  -2.640  -0.525
    7    HA   PRO   3           HA       PRO   3   3.205  -6.417   1.399
    8    HB2  PRO   3           HB2      PRO   3   5.184  -8.378   1.286
    9    HB3  PRO   3           HB3      PRO   3   4.254  -7.906  -0.163
   10    HG2  PRO   3           HG2      PRO   3   6.959  -6.732   0.685
   11    HG3  PRO   3           HG3      PRO   3   6.604  -7.618  -0.831
   12    HD2  PRO   3           HD2      PRO   3   6.413  -4.847  -0.791
   13    HD3  PRO   3           HD3      PRO   3   5.142  -5.809  -1.621
   14    H    LEU   4           H        LEU   4   4.429  -4.117   2.804
   15    HA   LEU   4           HA       LEU   4   5.314  -5.480   5.306
   16    HB2  LEU   4           HB2      LEU   4   6.931  -3.521   3.598
   17    HB3  LEU   4           HB3      LEU   4   7.418  -3.801   5.235
   18    HG   LEU   4           HG       LEU   4   7.588  -6.014   3.256
   19   HD11  LEU   4          HD11      LEU   4   9.579  -3.994   4.413
   20   HD12  LEU   4          HD12      LEU   4   9.228  -4.367   2.710
   21   HD13  LEU   4          HD13      LEU   4  10.117  -5.532   3.705
   22   HD21  LEU   4          HD21      LEU   4   7.217  -7.030   5.450
   23   HD22  LEU   4          HD22      LEU   4   8.132  -5.749   6.275
   24   HD23  LEU   4          HD23      LEU   4   8.984  -6.954   5.280
   25    H    ALA   5           H        ALA   5   6.007  -2.850   6.428
   26    HA   ALA   5           HA       ALA   5   3.365  -1.540   6.465
   27    HB1  ALA   5           HB1      ALA   5   3.504  -2.783   8.466
   28    HB2  ALA   5           HB2      ALA   5   5.169  -2.277   8.755
   29    HB3  ALA   5           HB3      ALA   5   3.854  -1.113   8.911
   30    H    GLY   6           H        GLY   6   4.294   0.111   4.993
   31    HA2  GLY   6           HA3      GLY   6   5.633   2.322   6.508
   32    HA3  GLY   6           HA2      GLY   6   6.045   1.915   4.823
   33    H    GLU   7           H        GLU   7   2.823   1.602   4.414
   34    HA   GLU   7           HA       GLU   7   2.230   4.515   4.315
   35    HB2  GLU   7           HB2      GLU   7   0.987   3.921   2.006
   36    HB3  GLU   7           HB3      GLU   7   2.710   4.209   1.984
   37    HG2  GLU   7           HG2      GLU   7   3.144   1.957   1.708
   38    HG3  GLU   7           HG3      GLU   7   1.588   1.363   2.440
   39    H    GLU   8           H        GLU   8  -0.258   4.629   3.747
   40    HA   GLU   8           HA       GLU   8  -1.534   3.407   5.945
   41    HB2  GLU   8           HB2      GLU   8  -2.277   5.473   4.270
   42    HB3  GLU   8           HB3      GLU   8  -3.140   4.165   3.469
   43    HG2  GLU   8           HG2      GLU   8  -4.794   4.830   5.005
   44    HG3  GLU   8           HG3      GLU   8  -3.931   3.786   6.155
   45    H    MET   9           H        MET   9  -1.144   2.239   2.528
   46    HA   MET   9           HA       MET   9  -2.948  -0.103   3.162
   47    HB2  MET   9           HB2      MET   9  -2.066   1.159   0.509
   48    HB3  MET   9           HB3      MET   9  -3.087  -0.290   0.656
   49    HG2  MET   9           HG2      MET   9  -3.925   2.390   1.932
   50    HG3  MET   9           HG3      MET   9  -4.277   1.979   0.238
   51    HE1  MET   9           HE1      MET   9  -7.112   1.944   0.544
   52    HE2  MET   9           HE2      MET   9  -6.272   0.777  -0.535
   53    HE3  MET   9           HE3      MET   9  -7.573   0.211   0.558
   54    H    GLY  10           H        GLY  10  -0.675  -0.679   4.416
   55    HA2  GLY  10           HA3      GLY  10   0.925  -2.391   4.438
   56    HA3  GLY  10           HA2      GLY  10   0.189  -3.002   2.955
   57    H    GLY  11           H        GLY  11   2.712  -0.941   4.158
   58    HA2  GLY  11           HA3      GLY  11   3.699  -0.074   1.431
   59    HA3  GLY  11           HA2      GLY  11   4.369   0.500   2.893
   60    H    ILE  12           H        ILE  12   6.372   0.090   1.437
   61    HA   ILE  12           HA       ILE  12   7.079  -2.773   1.522
   62    HB   ILE  12           HB       ILE  12   7.356  -1.459  -0.591
   63   HG12  ILE  12          HG12      ILE  12   9.919  -2.872   0.383
   64   HG13  ILE  12          HG13      ILE  12   8.476  -3.785  -0.020
   65   HG21  ILE  12          HG21      ILE  12  10.071  -0.497   0.327
   66   HG22  ILE  12          HG22      ILE  12   8.986   0.194  -0.900
   67   HG23  ILE  12          HG23      ILE  12   8.675   0.482   0.826
   68   HD11  ILE  12          HD11      ILE  12  10.409  -3.322  -1.832
   69   HD12  ILE  12          HD12      ILE  12   8.695  -3.458  -2.303
   70   HD13  ILE  12          HD13      ILE  12   9.457  -1.857  -2.168
   71    H    THR  13           H        THR  13   7.092  -0.896   4.027
   72    HA   THR  13           HA       THR  13   9.968  -1.091   4.645
   73    HB   THR  13           HB       THR  13   9.840   0.849   5.977
   74    HG1  THR  13           HG1      THR  13   8.003   0.740   7.126
   75   HG21  THR  13          HG21      THR  13   7.997   1.433   3.660
   76   HG22  THR  13          HG22      THR  13   9.744   1.242   3.508
   77   HG23  THR  13          HG23      THR  13   9.081   2.559   4.475
   78    H    THR  14           H        THR  14  10.520  -2.431   6.227
   79    HA   THR  14           HA       THR  14   8.466  -3.696   7.830
   80    HB   THR  14           HB       THR  14  10.317  -5.028   6.852
   81    HG1  THR  14           HG1      THR  14   9.195  -5.619   8.862
   82   HG21  THR  14          HG21      THR  14  12.546  -4.896   7.737
   83   HG22  THR  14          HG22      THR  14  12.060  -3.671   8.908
   84   HG23  THR  14          HG23      THR  14  12.078  -3.288   7.187
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1   1.611  -0.122   0.679
    2    HA2  GLY   1           HA3      GLY   1   1.435   0.451  -2.068
    3    HA3  GLY   1           HA2      GLY   1   2.967   1.138  -1.464
    4    H    GLY   2           H        GLY   2   3.277  -1.501   0.475
    5    HA2  GLY   2           HA3      GLY   2   4.242  -3.313  -1.672
    6    HA3  GLY   2           HA2      GLY   2   5.338  -2.619  -0.463
    7    HA   PRO   3           HA       PRO   3   3.174  -6.311   1.534
    8    HB2  PRO   3           HB2      PRO   3   5.142  -8.262   1.354
    9    HB3  PRO   3           HB3      PRO   3   4.130  -7.803  -0.052
   10    HG2  PRO   3           HG2      PRO   3   6.886  -6.621   0.645
   11    HG3  PRO   3           HG3      PRO   3   6.454  -7.516  -0.860
   12    HD2  PRO   3           HD2      PRO   3   6.314  -4.790  -0.815
   13    HD3  PRO   3           HD3      PRO   3   4.960  -5.721  -1.568
   14    H    LEU   4           H        LEU   4   4.412  -4.015   2.859
   15    HA   LEU   4           HA       LEU   4   5.395  -5.326   5.334
   16    HB2  LEU   4           HB2      LEU   4   6.971  -3.404   3.535
   17    HB3  LEU   4           HB3      LEU   4   7.501  -3.611   5.172
   18    HG   LEU   4           HG       LEU   4   7.605  -5.870   3.230
   19   HD11  LEU   4          HD11      LEU   4  10.150  -5.374   3.689
   20   HD12  LEU   4          HD12      LEU   4   9.617  -3.779   4.250
   21   HD13  LEU   4          HD13      LEU   4   9.271  -4.298   2.587
   22   HD21  LEU   4          HD21      LEU   4   9.157  -6.258   5.611
   23   HD22  LEU   4          HD22      LEU   4   7.670  -7.135   5.185
   24   HD23  LEU   4          HD23      LEU   4   7.589  -5.699   6.210
   25    H    ALA   5           H        ALA   5   6.132  -2.729   6.423
   26    HA   ALA   5           HA       ALA   5   3.487  -1.432   6.547
   27    HB1  ALA   5           HB1      ALA   5   3.757  -2.659   8.556
   28    HB2  ALA   5           HB2      ALA   5   5.410  -2.079   8.769
   29    HB3  ALA   5           HB3      ALA   5   4.053  -0.967   8.955
   30    H    GLY   6           H        GLY   6   3.796   0.462   5.457
   31    HA2  GLY   6           HA3      GLY   6   5.741   2.468   6.392
   32    HA3  GLY   6           HA2      GLY   6   5.797   2.024   4.649
   33    H    GLU   7           H        GLU   7   2.850   1.794   4.221
   34    HA   GLU   7           HA       GLU   7   2.140   4.669   4.348
   35    HB2  GLU   7           HB2      GLU   7   0.803   3.977   2.129
   36    HB3  GLU   7           HB3      GLU   7   2.519   4.322   1.995
   37    HG2  GLU   7           HG2      GLU   7   3.059   2.172   1.600
   38    HG3  GLU   7           HG3      GLU   7   1.663   1.394   2.469
   39    H    GLU   8           H        GLU   8  -0.368   4.626   3.851
   40    HA   GLU   8           HA       GLU   8  -1.531   3.332   6.095
   41    HB2  GLU   8           HB2      GLU   8  -2.240   5.479   4.648
   42    HB3  GLU   8           HB3      GLU   8  -3.148   4.287   3.680
   43    HG2  GLU   8           HG2      GLU   8  -4.347   3.648   5.863
   44    HG3  GLU   8           HG3      GLU   8  -3.378   4.889   6.711
   45    H    MET   9           H        MET   9  -1.157   2.225   2.662
   46    HA   MET   9           HA       MET   9  -2.962  -0.117   3.267
   47    HB2  MET   9           HB2      MET   9  -2.074   1.144   0.620
   48    HB3  MET   9           HB3      MET   9  -3.104  -0.300   0.766
   49    HG2  MET   9           HG2      MET   9  -3.925   2.373   2.048
   50    HG3  MET   9           HG3      MET   9  -4.313   1.993   0.351
   51    HE1  MET   9           HE1      MET   9  -5.298  -0.707  -0.177
   52    HE2  MET   9           HE2      MET   9  -6.965  -0.768   0.467
   53    HE3  MET   9           HE3      MET   9  -6.396   0.692  -0.399
   54    H    GLY  10           H        GLY  10  -0.603  -0.561   4.532
   55    HA2  GLY  10           HA3      GLY  10   0.985  -2.279   4.597
   56    HA3  GLY  10           HA2      GLY  10   0.262  -2.897   3.115
   57    H    GLY  11           H        GLY  11   2.991  -1.140   4.343
   58    HA2  GLY  11           HA3      GLY  11   3.768   0.154   1.744
   59    HA3  GLY  11           HA2      GLY  11   4.510   0.465   3.282
   60    H    ILE  12           H        ILE  12   6.399   0.186   1.493
   61    HA   ILE  12           HA       ILE  12   7.076  -2.701   1.492
   62    HB   ILE  12           HB       ILE  12   7.250  -1.341  -0.588
   63   HG12  ILE  12          HG12      ILE  12   9.774  -2.939   0.215
   64   HG13  ILE  12          HG13      ILE  12   8.223  -3.670  -0.206
   65   HG21  ILE  12          HG21      ILE  12   8.704   0.520   0.796
   66   HG22  ILE  12          HG22      ILE  12  10.055  -0.469   0.201
   67   HG23  ILE  12          HG23      ILE  12   8.919   0.271  -0.952
   68   HD11  ILE  12          HD11      ILE  12   8.342  -2.490  -2.461
   69   HD12  ILE  12          HD12      ILE  12  10.026  -2.033  -2.041
   70   HD13  ILE  12          HD13      ILE  12   9.570  -3.758  -2.179
   71    H    THR  13           H        THR  13   7.208  -0.830   3.971
   72    HA   THR  13           HA       THR  13  10.088  -1.168   4.506
   73    HB   THR  13           HB       THR  13   9.676   0.738   6.207
   74    HG1  THR  13           HG1      THR  13   7.962   2.123   5.605
   75   HG21  THR  13          HG21      THR  13   9.454   1.690   3.381
   76   HG22  THR  13          HG22      THR  13  10.866   0.757   3.877
   77   HG23  THR  13          HG23      THR  13  10.486   2.277   4.685
   78    H    THR  14           H        THR  14  10.602  -2.468   6.136
   79    HA   THR  14           HA       THR  14   8.531  -3.629   7.770
   80    HB   THR  14           HB       THR  14  11.316  -4.209   8.515
   81    HG1  THR  14           HG1      THR  14  12.016  -4.716   6.585
   82   HG21  THR  14          HG21      THR  14  10.134  -6.542   7.727
   83   HG22  THR  14          HG22      THR  14   8.739  -5.575   8.206
   84   HG23  THR  14          HG23      THR  14  10.046  -5.866   9.353
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1   1.467  -0.042   0.700
    2    HA2  GLY   1           HA3      GLY   1   1.305   0.386  -2.165
    3    HA3  GLY   1           HA2      GLY   1   2.815   1.038  -1.524
    4    H    GLY   2           H        GLY   2   3.000  -1.643   0.427
    5    HA2  GLY   2           HA3      GLY   2   4.021  -3.403  -1.715
    6    HA3  GLY   2           HA2      GLY   2   5.195  -2.710  -0.683
    7    HA   PRO   3           HA       PRO   3   3.117  -6.399   1.514
    8    HB2  PRO   3           HB2      PRO   3   5.006  -8.362   1.303
    9    HB3  PRO   3           HB3      PRO   3   4.040  -7.866  -0.123
   10    HG2  PRO   3           HG2      PRO   3   6.775  -6.675   0.678
   11    HG3  PRO   3           HG3      PRO   3   6.417  -7.619  -0.829
   12    HD2  PRO   3           HD2      PRO   3   6.237  -4.900  -0.847
   13    HD3  PRO   3           HD3      PRO   3   4.901  -5.895  -1.587
   14    H    LEU   4           H        LEU   4   4.245  -4.115   2.879
   15    HA   LEU   4           HA       LEU   4   5.330  -5.404   5.315
   16    HB2  LEU   4           HB2      LEU   4   6.946  -3.619   3.509
   17    HB3  LEU   4           HB3      LEU   4   7.379  -3.740   5.173
   18    HG   LEU   4           HG       LEU   4   7.559  -6.054   3.212
   19   HD11  LEU   4          HD11      LEU   4  10.056  -5.616   3.674
   20   HD12  LEU   4          HD12      LEU   4   9.541  -4.030   4.322
   21   HD13  LEU   4          HD13      LEU   4   9.212  -4.449   2.625
   22   HD21  LEU   4          HD21      LEU   4   8.889  -6.999   5.258
   23   HD22  LEU   4          HD22      LEU   4   7.143  -7.000   5.405
   24   HD23  LEU   4          HD23      LEU   4   8.091  -5.777   6.245
   25    H    ALA   5           H        ALA   5   6.059  -2.788   6.422
   26    HA   ALA   5           HA       ALA   5   3.414  -1.491   6.552
   27    HB1  ALA   5           HB1      ALA   5   3.679  -2.718   8.559
   28    HB2  ALA   5           HB2      ALA   5   5.337  -2.153   8.769
   29    HB3  ALA   5           HB3      ALA   5   3.992  -1.030   8.963
   30    H    GLY   6           H        GLY   6   3.575   0.495   5.579
   31    HA2  GLY   6           HA3      GLY   6   5.591   2.399   6.444
   32    HA3  GLY   6           HA2      GLY   6   5.681   1.967   4.707
   33    H    GLU   7           H        GLU   7   2.820   1.799   4.073
   34    HA   GLU   7           HA       GLU   7   2.041   4.676   4.322
   35    HB2  GLU   7           HB2      GLU   7   0.707   4.083   2.197
   36    HB3  GLU   7           HB3      GLU   7   2.395   4.278   1.925
   37    HG2  GLU   7           HG2      GLU   7   2.864   2.050   1.787
   38    HG3  GLU   7           HG3      GLU   7   1.337   1.385   2.465
   39    H    GLU   8           H        GLU   8  -0.486   4.693   3.927
   40    HA   GLU   8           HA       GLU   8  -1.621   3.371   6.070
   41    HB2  GLU   8           HB2      GLU   8  -2.479   5.455   4.543
   42    HB3  GLU   8           HB3      GLU   8  -3.368   4.128   3.731
   43    HG2  GLU   8           HG2      GLU   8  -4.840   5.100   5.405
   44    HG3  GLU   8           HG3      GLU   8  -4.289   3.569   6.143
   45    H    MET   9           H        MET   9  -1.268   2.236   2.670
   46    HA   MET   9           HA       MET   9  -2.987  -0.128   3.330
   47    HB2  MET   9           HB2      MET   9  -2.180   1.065   0.631
   48    HB3  MET   9           HB3      MET   9  -3.208  -0.373   0.874
   49    HG2  MET   9           HG2      MET   9  -4.330   1.835   2.418
   50    HG3  MET   9           HG3      MET   9  -4.073   2.377   0.733
   51    HE1  MET   9           HE1      MET   9  -4.523  -0.031  -1.154
   52    HE2  MET   9           HE2      MET   9  -6.302  -0.131  -1.321
   53    HE3  MET   9           HE3      MET   9  -5.490   1.466  -1.363
   54    H    GLY  10           H        GLY  10  -0.622  -0.629   4.544
   55    HA2  GLY  10           HA3      GLY  10   0.944  -2.393   4.561
   56    HA3  GLY  10           HA2      GLY  10   0.179  -2.962   3.106
   57    H    GLY  11           H        GLY  11   3.026  -1.293   4.319
   58    HA2  GLY  11           HA3      GLY  11   3.642   0.041   1.718
   59    HA3  GLY  11           HA2      GLY  11   4.389   0.332   3.284
   60    H    ILE  12           H        ILE  12   6.318   0.152   1.495
   61    HA   ILE  12           HA       ILE  12   7.050  -2.712   1.474
   62    HB   ILE  12           HB       ILE  12   7.186  -1.383  -0.606
   63   HG12  ILE  12          HG12      ILE  12   9.690  -2.957   0.131
   64   HG13  ILE  12          HG13      ILE  12   8.103  -3.645  -0.322
   65   HG21  ILE  12          HG21      ILE  12  10.021  -0.487   0.218
   66   HG22  ILE  12          HG22      ILE  12   8.971   0.219  -1.033
   67   HG23  ILE  12          HG23      ILE  12   8.641   0.530   0.691
   68   HD11  ILE  12          HD11      ILE  12   8.435  -2.221  -2.509
   69   HD12  ILE  12          HD12      ILE  12  10.184  -2.286  -2.053
   70   HD13  ILE  12          HD13      ILE  12   9.274  -3.806  -2.325
   71    H    THR  13           H        THR  13   7.135  -0.883   3.975
   72    HA   THR  13           HA       THR  13  10.015  -1.223   4.508
   73    HB   THR  13           HB       THR  13   9.605   0.678   6.214
   74    HG1  THR  13           HG1      THR  13   7.892   2.074   5.591
   75   HG21  THR  13          HG21      THR  13  10.412   0.646   3.521
   76   HG22  THR  13          HG22      THR  13  10.789   1.861   4.743
   77   HG23  THR  13          HG23      THR  13   9.376   2.060   3.706
   78    H    THR  14           H        THR  14  10.530  -2.526   6.135
   79    HA   THR  14           HA       THR  14   8.451  -3.671   7.780
   80    HB   THR  14           HB       THR  14  10.274  -5.081   6.889
   81    HG1  THR  14           HG1      THR  14   9.493  -6.052   8.642
   82   HG21  THR  14          HG21      THR  14  12.023  -3.514   8.790
   83   HG22  THR  14          HG22      THR  14  12.100  -3.458   7.028
   84   HG23  THR  14          HG23      THR  14  12.510  -4.945   7.882
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1   1.331  -0.167   0.550
    2    HA2  GLY   1           HA3      GLY   1   0.970  -0.214  -1.916
    3    HA3  GLY   1           HA2      GLY   1   2.514   0.698  -2.032
    4    H    GLY   2           H        GLY   2   2.655  -2.102   0.328
    5    HA2  GLY   2           HA3      GLY   2   4.098  -3.725  -1.664
    6    HA3  GLY   2           HA2      GLY   2   5.078  -2.786  -0.504
    7    HA   PRO   3           HA       PRO   3   3.298  -6.576   1.693
    8    HB2  PRO   3           HB2      PRO   3   5.325  -8.489   1.495
    9    HB3  PRO   3           HB3      PRO   3   4.343  -8.046   0.074
   10    HG2  PRO   3           HG2      PRO   3   7.020  -6.717   0.839
   11    HG3  PRO   3           HG3      PRO   3   6.704  -7.677  -0.648
   12    HD2  PRO   3           HD2      PRO   3   6.291  -4.942  -0.723
   13    HD3  PRO   3           HD3      PRO   3   5.052  -6.030  -1.444
   14    H    LEU   4           H        LEU   4   4.391  -4.204   3.001
   15    HA   LEU   4           HA       LEU   4   5.550  -5.376   5.452
   16    HB2  LEU   4           HB2      LEU   4   6.996  -3.457   3.552
   17    HB3  LEU   4           HB3      LEU   4   7.573  -3.673   5.174
   18    HG   LEU   4           HG       LEU   4   7.713  -5.924   3.151
   19   HD11  LEU   4          HD11      LEU   4  10.259  -5.408   3.459
   20   HD12  LEU   4          HD12      LEU   4   9.734  -3.898   4.258
   21   HD13  LEU   4          HD13      LEU   4   9.291  -4.212   2.558
   22   HD21  LEU   4          HD21      LEU   4   7.457  -6.925   5.429
   23   HD22  LEU   4          HD22      LEU   4   8.444  -5.600   6.086
   24   HD23  LEU   4          HD23      LEU   4   9.201  -6.873   5.114
   25    H    ALA   5           H        ALA   5   6.192  -2.697   6.447
   26    HA   ALA   5           HA       ALA   5   3.507  -1.483   6.556
   27    HB1  ALA   5           HB1      ALA   5   3.769  -2.641   8.592
   28    HB2  ALA   5           HB2      ALA   5   5.432  -2.083   8.786
   29    HB3  ALA   5           HB3      ALA   5   4.094  -0.947   8.963
   30    H    GLY   6           H        GLY   6   4.202   0.190   5.018
   31    HA2  GLY   6           HA3      GLY   6   5.562   2.486   6.409
   32    HA3  GLY   6           HA2      GLY   6   5.911   2.035   4.724
   33    H    GLU   7           H        GLU   7   2.721   1.629   4.346
   34    HA   GLU   7           HA       GLU   7   1.993   4.515   4.248
   35    HB2  GLU   7           HB2      GLU   7   0.736   3.838   1.972
   36    HB3  GLU   7           HB3      GLU   7   2.471   4.130   1.882
   37    HG2  GLU   7           HG2      GLU   7   2.891   1.825   2.038
   38    HG3  GLU   7           HG3      GLU   7   1.163   1.361   2.297
   39    H    GLU   8           H        GLU   8  -0.528   4.454   3.757
   40    HA   GLU   8           HA       GLU   8  -1.573   3.212   6.095
   41    HB2  GLU   8           HB2      GLU   8  -2.336   5.316   4.793
   42    HB3  GLU   8           HB3      GLU   8  -3.227   4.218   3.706
   43    HG2  GLU   8           HG2      GLU   8  -4.764   3.646   5.595
   44    HG3  GLU   8           HG3      GLU   8  -3.617   4.312   6.787
   45    H    MET   9           H        MET   9  -1.351   1.980   2.681
   46    HA   MET   9           HA       MET   9  -2.998  -0.417   3.530
   47    HB2  MET   9           HB2      MET   9  -2.422   0.785   0.753
   48    HB3  MET   9           HB3      MET   9  -3.295  -0.740   1.052
   49    HG2  MET   9           HG2      MET   9  -5.072   0.404   2.314
   50    HG3  MET   9           HG3      MET   9  -4.251   1.983   2.159
   51    HE1  MET   9           HE1      MET   9  -4.829   3.043  -1.480
   52    HE2  MET   9           HE2      MET   9  -5.283   3.627   0.156
   53    HE3  MET   9           HE3      MET   9  -3.610   3.041  -0.160
   54    H    GLY  10           H        GLY  10  -0.630  -0.859   4.631
   55    HA2  GLY  10           HA3      GLY  10   0.990  -2.533   4.610
   56    HA3  GLY  10           HA2      GLY  10   0.207  -3.198   3.191
   57    H    GLY  11           H        GLY  11   2.926  -1.257   4.158
   58    HA2  GLY  11           HA3      GLY  11   3.585  -0.225   1.356
   59    HA3  GLY  11           HA2      GLY  11   4.338   0.348   2.864
   60    H    ILE  12           H        ILE  12   6.276   0.090   1.319
   61    HA   ILE  12           HA       ILE  12   7.079  -2.728   1.450
   62    HB   ILE  12           HB       ILE  12   7.216  -1.433  -0.701
   63   HG12  ILE  12          HG12      ILE  12   9.780  -2.906   0.212
   64   HG13  ILE  12          HG13      ILE  12   8.294  -3.729  -0.237
   65   HG21  ILE  12          HG21      ILE  12   8.502   0.600   0.462
   66   HG22  ILE  12          HG22      ILE  12   9.944  -0.414   0.167
   67   HG23  ILE  12          HG23      ILE  12   8.937   0.124  -1.203
   68   HD11  ILE  12          HD11      ILE  12  10.054  -2.028  -2.081
   69   HD12  ILE  12          HD12      ILE  12   9.761  -3.800  -2.130
   70   HD13  ILE  12          HD13      ILE  12   8.434  -2.661  -2.546
   71    H    THR  13           H        THR  13   7.104  -0.795   3.937
   72    HA   THR  13           HA       THR  13  10.008  -0.865   4.440
   73    HB   THR  13           HB       THR  13   9.862   1.116   5.710
   74    HG1  THR  13           HG1      THR  13   8.120   1.550   6.818
   75   HG21  THR  13          HG21      THR  13   9.520   1.292   3.160
   76   HG22  THR  13          HG22      THR  13   9.175   2.713   4.147
   77   HG23  THR  13          HG23      THR  13   7.853   1.705   3.559
   78    H    THR  14           H        THR  14  10.674  -2.127   6.042
   79    HA   THR  14           HA       THR  14   8.729  -3.388   7.784
   80    HB   THR  14           HB       THR  14  11.586  -3.931   8.268
   81    HG1  THR  14           HG1      THR  14  11.625  -5.229   6.274
   82   HG21  THR  14          HG21      THR  14   9.025  -5.268   8.394
   83   HG22  THR  14          HG22      THR  14  10.547  -5.683   9.182
   84   HG23  THR  14          HG23      THR  14  10.217  -6.251   7.545
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1   1.538   0.039   0.353
    2    HA2  GLY   1           HA3      GLY   1   1.281   0.047  -2.129
    3    HA3  GLY   1           HA2      GLY   1   2.853   0.911  -2.160
    4    H    GLY   2           H        GLY   2   2.803  -1.933   0.147
    5    HA2  GLY   2           HA3      GLY   2   4.293  -3.559  -1.800
    6    HA3  GLY   2           HA2      GLY   2   5.241  -2.668  -0.582
    7    HA   PRO   3           HA       PRO   3   3.265  -6.435   1.472
    8    HB2  PRO   3           HB2      PRO   3   5.227  -8.414   1.313
    9    HB3  PRO   3           HB3      PRO   3   4.322  -7.905  -0.137
   10    HG2  PRO   3           HG2      PRO   3   7.011  -6.695   0.770
   11    HG3  PRO   3           HG3      PRO   3   6.721  -7.608  -0.753
   12    HD2  PRO   3           HD2      PRO   3   6.421  -4.853  -0.768
   13    HD3  PRO   3           HD3      PRO   3   5.182  -5.878  -1.580
   14    H    LEU   4           H        LEU   4   4.418  -4.129   2.854
   15    HA   LEU   4           HA       LEU   4   5.371  -5.402   5.348
   16    HB2  LEU   4           HB2      LEU   4   7.015  -3.494   3.609
   17    HB3  LEU   4           HB3      LEU   4   7.481  -3.796   5.265
   18    HG   LEU   4           HG       LEU   4   7.632  -6.023   3.255
   19   HD11  LEU   4          HD11      LEU   4   9.238  -4.347   2.658
   20   HD12  LEU   4          HD12      LEU   4  10.163  -5.562   3.583
   21   HD13  LEU   4          HD13      LEU   4   9.667  -4.025   4.358
   22   HD21  LEU   4          HD21      LEU   4   8.368  -5.730   6.223
   23   HD22  LEU   4          HD22      LEU   4   9.017  -7.019   5.190
   24   HD23  LEU   4          HD23      LEU   4   7.286  -6.963   5.544
   25    H    ALA   5           H        ALA   5   6.067  -2.733   6.397
   26    HA   ALA   5           HA       ALA   5   3.418  -1.437   6.419
   27    HB1  ALA   5           HB1      ALA   5   3.909  -0.961   8.854
   28    HB2  ALA   5           HB2      ALA   5   3.575  -2.644   8.443
   29    HB3  ALA   5           HB3      ALA   5   5.235  -2.116   8.717
   30    H    GLY   6           H        GLY   6   4.268   0.219   4.917
   31    HA2  GLY   6           HA3      GLY   6   5.627   2.456   6.396
   32    HA3  GLY   6           HA2      GLY   6   6.048   2.018   4.724
   33    H    GLU   7           H        GLU   7   2.825   1.722   4.253
   34    HA   GLU   7           HA       GLU   7   2.205   4.635   4.162
   35    HB2  GLU   7           HB2      GLU   7   0.988   4.025   1.850
   36    HB3  GLU   7           HB3      GLU   7   2.733   4.278   1.805
   37    HG2  GLU   7           HG2      GLU   7   3.099   1.959   1.934
   38    HG3  GLU   7           HG3      GLU   7   1.354   1.536   2.126
   39    H    GLU   8           H        GLU   8  -0.290   4.735   3.644
   40    HA   GLU   8           HA       GLU   8  -1.545   3.474   5.831
   41    HB2  GLU   8           HB2      GLU   8  -2.331   5.530   4.248
   42    HB3  GLU   8           HB3      GLU   8  -3.084   4.222   3.308
   43    HG2  GLU   8           HG2      GLU   8  -4.393   3.630   5.478
   44    HG3  GLU   8           HG3      GLU   8  -3.497   4.946   6.296
   45    H    MET   9           H        MET   9  -1.141   2.244   2.412
   46    HA   MET   9           HA       MET   9  -2.931  -0.103   3.112
   47    HB2  MET   9           HB2      MET   9  -2.094   1.199   0.462
   48    HB3  MET   9           HB3      MET   9  -2.998  -0.325   0.543
   49    HG2  MET   9           HG2      MET   9  -4.120   2.127   2.000
   50    HG3  MET   9           HG3      MET   9  -4.391   1.907   0.244
   51    HE1  MET   9           HE1      MET   9  -7.537   0.481   2.698
   52    HE2  MET   9           HE2      MET   9  -6.066   0.591   3.724
   53    HE3  MET   9           HE3      MET   9  -6.555   1.988   2.693
   54    H    GLY  10           H        GLY  10  -0.620  -0.660   4.339
   55    HA2  GLY  10           HA3      GLY  10   0.960  -2.373   4.363
   56    HA3  GLY  10           HA2      GLY  10   0.220  -3.001   2.903
   57    H    GLY  11           H        GLY  11   2.938  -1.136   4.004
   58    HA2  GLY  11           HA3      GLY  11   3.759  -0.113   1.243
   59    HA3  GLY  11           HA2      GLY  11   4.459   0.427   2.779
   60    H    ILE  12           H        ILE  12   6.444   0.097   1.301
   61    HA   ILE  12           HA       ILE  12   7.165  -2.745   1.467
   62    HB   ILE  12           HB       ILE  12   7.428  -1.452  -0.671
   63   HG12  ILE  12          HG12      ILE  12   9.968  -2.890   0.315
   64   HG13  ILE  12          HG13      ILE  12   8.526  -3.768  -0.113
   65   HG21  ILE  12          HG21      ILE  12   8.724   0.547   0.643
   66   HG22  ILE  12          HG22      ILE  12  10.138  -0.458   0.255
   67   HG23  ILE  12          HG23      ILE  12   9.107   0.175  -1.051
   68   HD11  ILE  12          HD11      ILE  12   9.278  -1.929  -2.341
   69   HD12  ILE  12          HD12      ILE  12  10.593  -3.038  -1.884
   70   HD13  ILE  12          HD13      ILE  12   8.994  -3.682  -2.341
   71    H    THR  13           H        THR  13   7.142  -0.823   3.958
   72    HA   THR  13           HA       THR  13  10.019  -0.993   4.579
   73    HB   THR  13           HB       THR  13   9.881   0.972   5.875
   74    HG1  THR  13           HG1      THR  13   8.013   0.788   7.012
   75   HG21  THR  13          HG21      THR  13   9.141   2.647   4.338
   76   HG22  THR  13          HG22      THR  13   8.029   1.521   3.559
   77   HG23  THR  13          HG23      THR  13   9.770   1.301   3.389
   78    H    THR  14           H        THR  14  10.576  -2.304   6.183
   79    HA   THR  14           HA       THR  14   8.540  -3.573   7.794
   80    HB   THR  14           HB       THR  14  11.491  -3.977   8.186
   81    HG1  THR  14           HG1      THR  14  11.623  -4.695   6.208
   82   HG21  THR  14          HG21      THR  14  10.687  -5.505   9.603
   83   HG22  THR  14          HG22      THR  14  10.111  -6.397   8.194
   84   HG23  THR  14          HG23      THR  14   9.039  -5.267   9.022
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1   1.567   0.161   0.331
    2    HA2  GLY   1           HA3      GLY   1   1.349   0.209  -2.155
    3    HA3  GLY   1           HA2      GLY   1   2.947   1.030  -2.151
    4    H    GLY   2           H        GLY   2   2.782  -1.845   0.114
    5    HA2  GLY   2           HA3      GLY   2   4.253  -3.487  -1.838
    6    HA3  GLY   2           HA2      GLY   2   5.216  -2.637  -0.598
    7    HA   PRO   3           HA       PRO   3   3.111  -6.373   1.381
    8    HB2  PRO   3           HB2      PRO   3   5.019  -8.405   1.218
    9    HB3  PRO   3           HB3      PRO   3   4.151  -7.847  -0.237
   10    HG2  PRO   3           HG2      PRO   3   6.859  -6.727   0.730
   11    HG3  PRO   3           HG3      PRO   3   6.569  -7.609  -0.812
   12    HD2  PRO   3           HD2      PRO   3   6.340  -4.847  -0.790
   13    HD3  PRO   3           HD3      PRO   3   5.087  -5.827  -1.637
   14    H    LEU   4           H        LEU   4   4.292  -4.118   2.815
   15    HA   LEU   4           HA       LEU   4   5.201  -5.446   5.299
   16    HB2  LEU   4           HB2      LEU   4   6.892  -3.583   3.559
   17    HB3  LEU   4           HB3      LEU   4   7.337  -3.856   5.222
   18    HG   LEU   4           HG       LEU   4   7.485  -6.094   3.223
   19   HD11  LEU   4          HD11      LEU   4   9.549  -4.195   4.457
   20   HD12  LEU   4          HD12      LEU   4   9.167  -4.448   2.727
   21   HD13  LEU   4          HD13      LEU   4  10.015  -5.720   3.643
   22   HD21  LEU   4          HD21      LEU   4   8.809  -7.092   5.266
   23   HD22  LEU   4          HD22      LEU   4   7.046  -7.121   5.419
   24   HD23  LEU   4          HD23      LEU   4   7.986  -5.861   6.241
   25    H    ALA   5           H        ALA   5   5.940  -2.820   6.399
   26    HA   ALA   5           HA       ALA   5   3.324  -1.458   6.405
   27    HB1  ALA   5           HB1      ALA   5   5.095  -2.213   8.716
   28    HB2  ALA   5           HB2      ALA   5   3.791  -1.032   8.852
   29    HB3  ALA   5           HB3      ALA   5   3.427  -2.701   8.412
   30    H    GLY   6           H        GLY   6   4.228   0.197   4.941
   31    HA2  GLY   6           HA3      GLY   6   5.620   2.383   6.459
   32    HA3  GLY   6           HA2      GLY   6   6.076   1.950   4.795
   33    H    GLU   7           H        GLU   7   2.836   1.745   4.280
   34    HA   GLU   7           HA       GLU   7   2.277   4.672   4.221
   35    HB2  GLU   7           HB2      GLU   7   1.115   4.145   1.863
   36    HB3  GLU   7           HB3      GLU   7   2.868   4.336   1.875
   37    HG2  GLU   7           HG2      GLU   7   3.153   2.009   1.965
   38    HG3  GLU   7           HG3      GLU   7   1.394   1.634   2.120
   39    H    GLU   8           H        GLU   8  -0.212   4.790   3.610
   40    HA   GLU   8           HA       GLU   8  -1.471   3.535   5.826
   41    HB2  GLU   8           HB2      GLU   8  -2.059   5.715   4.546
   42    HB3  GLU   8           HB3      GLU   8  -2.897   4.690   3.362
   43    HG2  GLU   8           HG2      GLU   8  -3.606   4.471   6.376
   44    HG3  GLU   8           HG3      GLU   8  -4.077   5.959   5.549
   45    H    MET   9           H        MET   9  -1.102   2.391   2.405
   46    HA   MET   9           HA       MET   9  -2.944   0.065   3.040
   47    HB2  MET   9           HB2      MET   9  -2.084   1.408   0.422
   48    HB3  MET   9           HB3      MET   9  -2.986  -0.117   0.455
   49    HG2  MET   9           HG2      MET   9  -4.210   2.274   1.937
   50    HG3  MET   9           HG3      MET   9  -4.315   2.166   0.158
   51    HE1  MET   9           HE1      MET   9  -5.302   0.631   3.517
   52    HE2  MET   9           HE2      MET   9  -7.022   0.560   3.009
   53    HE3  MET   9           HE3      MET   9  -6.036  -0.933   3.024
   54    H    GLY  10           H        GLY  10  -0.680  -0.546   4.280
   55    HA2  GLY  10           HA3      GLY  10   0.862  -2.293   4.293
   56    HA3  GLY  10           HA2      GLY  10   0.127  -2.874   2.812
   57    H    GLY  11           H        GLY  11   2.886  -1.118   3.982
   58    HA2  GLY  11           HA3      GLY  11   3.769  -0.065   1.249
   59    HA3  GLY  11           HA2      GLY  11   4.457   0.434   2.810
   60    H    ILE  12           H        ILE  12   6.459   0.085   1.354
   61    HA   ILE  12           HA       ILE  12   7.106  -2.775   1.470
   62    HB   ILE  12           HB       ILE  12   7.432  -1.446  -0.627
   63   HG12  ILE  12          HG12      ILE  12   9.928  -2.982   0.358
   64   HG13  ILE  12          HG13      ILE  12   8.445  -3.800  -0.114
   65   HG21  ILE  12          HG21      ILE  12   8.735   0.511   0.673
   66   HG22  ILE  12          HG22      ILE  12  10.147  -0.545   0.410
   67   HG23  ILE  12          HG23      ILE  12   9.221   0.068  -0.984
   68   HD11  ILE  12          HD11      ILE  12   8.597  -2.825  -2.414
   69   HD12  ILE  12          HD12      ILE  12  10.158  -2.063  -1.980
   70   HD13  ILE  12          HD13      ILE  12   9.996  -3.842  -1.958
   71    H    THR  13           H        THR  13   7.095  -0.898   4.005
   72    HA   THR  13           HA       THR  13   9.958  -1.147   4.661
   73    HB   THR  13           HB       THR  13   9.851   0.800   5.986
   74    HG1  THR  13           HG1      THR  13   8.071   1.101   7.081
   75   HG21  THR  13          HG21      THR  13   8.091   1.347   3.592
   76   HG22  THR  13          HG22      THR  13   9.851   1.242   3.556
   77   HG23  THR  13          HG23      THR  13   9.063   2.528   4.470
   78    H    THR  14           H        THR  14  10.466  -2.486   6.258
   79    HA   THR  14           HA       THR  14   8.358  -3.680   7.857
   80    HB   THR  14           HB       THR  14  10.145  -5.092   6.866
   81    HG1  THR  14           HG1      THR  14   9.012  -5.670   8.852
   82   HG21  THR  14          HG21      THR  14  12.148  -4.522   8.880
   83   HG22  THR  14          HG22      THR  14  11.850  -3.123   7.848
   84   HG23  THR  14          HG23      THR  14  12.321  -4.664   7.131
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1   1.503   0.117   0.478
    2    HA2  GLY   1           HA3      GLY   1   1.208   0.158  -1.997
    3    HA3  GLY   1           HA2      GLY   1   2.786   1.015  -2.044
    4    H    GLY   2           H        GLY   2   2.759  -1.857   0.230
    5    HA2  GLY   2           HA3      GLY   2   4.196  -3.475  -1.767
    6    HA3  GLY   2           HA2      GLY   2   5.178  -2.605  -0.556
    7    HA   PRO   3           HA       PRO   3   3.211  -6.384   1.492
    8    HB2  PRO   3           HB2      PRO   3   5.160  -8.373   1.270
    9    HB3  PRO   3           HB3      PRO   3   4.228  -7.842  -0.155
   10    HG2  PRO   3           HG2      PRO   3   6.937  -6.645   0.713
   11    HG3  PRO   3           HG3      PRO   3   6.622  -7.550  -0.811
   12    HD2  PRO   3           HD2      PRO   3   6.313  -4.800  -0.819
   13    HD3  PRO   3           HD3      PRO   3   5.048  -5.819  -1.592
   14    H    LEU   4           H        LEU   4   4.398  -4.101   2.882
   15    HA   LEU   4           HA       LEU   4   5.398  -5.409   5.343
   16    HB2  LEU   4           HB2      LEU   4   6.996  -3.521   3.550
   17    HB3  LEU   4           HB3      LEU   4   7.498  -3.770   5.201
   18    HG   LEU   4           HG       LEU   4   7.641  -6.018   3.217
   19   HD11  LEU   4          HD11      LEU   4   9.690  -4.047   4.342
   20   HD12  LEU   4          HD12      LEU   4   9.248  -4.316   2.632
   21   HD13  LEU   4          HD13      LEU   4  10.173  -5.558   3.513
   22   HD21  LEU   4          HD21      LEU   4   7.327  -6.981   5.490
   23   HD22  LEU   4          HD22      LEU   4   8.375  -5.715   6.192
   24   HD23  LEU   4          HD23      LEU   4   9.077  -6.993   5.171
   25    H    ALA   5           H        ALA   5   6.109  -2.764   6.415
   26    HA   ALA   5           HA       ALA   5   3.469  -1.452   6.493
   27    HB1  ALA   5           HB1      ALA   5   3.650  -2.689   8.497
   28    HB2  ALA   5           HB2      ALA   5   5.317  -2.171   8.755
   29    HB3  ALA   5           HB3      ALA   5   3.997  -1.014   8.926
   30    H    GLY   6           H        GLY   6   4.267   0.235   5.023
   31    HA2  GLY   6           HA3      GLY   6   5.690   2.435   6.505
   32    HA3  GLY   6           HA2      GLY   6   6.054   2.018   4.815
   33    H    GLU   7           H        GLU   7   2.859   1.748   4.361
   34    HA   GLU   7           HA       GLU   7   2.248   4.663   4.336
   35    HB2  GLU   7           HB2      GLU   7   1.002   4.089   2.025
   36    HB3  GLU   7           HB3      GLU   7   2.748   4.330   1.968
   37    HG2  GLU   7           HG2      GLU   7   3.097   2.005   2.067
   38    HG3  GLU   7           HG3      GLU   7   1.349   1.594   2.269
   39    H    GLU   8           H        GLU   8  -0.250   4.759   3.833
   40    HA   GLU   8           HA       GLU   8  -1.465   3.483   6.047
   41    HB2  GLU   8           HB2      GLU   8  -2.195   5.601   4.597
   42    HB3  GLU   8           HB3      GLU   8  -3.034   4.394   3.585
   43    HG2  GLU   8           HG2      GLU   8  -4.399   3.775   5.668
   44    HG3  GLU   8           HG3      GLU   8  -3.400   4.915   6.618
   45    H    MET   9           H        MET   9  -1.147   2.306   2.594
   46    HA   MET   9           HA       MET   9  -2.911  -0.050   3.329
   47    HB2  MET   9           HB2      MET   9  -2.191   1.232   0.632
   48    HB3  MET   9           HB3      MET   9  -3.134  -0.269   0.798
   49    HG2  MET   9           HG2      MET   9  -4.044   2.347   2.136
   50    HG3  MET   9           HG3      MET   9  -4.495   1.878   0.475
   51    HE1  MET   9           HE1      MET   9  -7.614   0.283   0.956
   52    HE2  MET   9           HE2      MET   9  -6.266   0.466  -0.205
   53    HE3  MET   9           HE3      MET   9  -6.535  -1.104   0.613
   54    H    GLY  10           H        GLY  10  -0.600  -0.624   4.482
   55    HA2  GLY  10           HA3      GLY  10   0.966  -2.348   4.457
   56    HA3  GLY  10           HA2      GLY  10   0.200  -2.944   2.996
   57    H    GLY  11           H        GLY  11   2.965  -1.145   4.091
   58    HA2  GLY  11           HA3      GLY  11   3.738  -0.053   1.340
   59    HA3  GLY  11           HA2      GLY  11   4.466   0.451   2.882
   60    H    ILE  12           H        ILE  12   6.430   0.151   1.363
   61    HA   ILE  12           HA       ILE  12   7.131  -2.696   1.459
   62    HB   ILE  12           HB       ILE  12   7.364  -1.341  -0.655
   63   HG12  ILE  12          HG12      ILE  12   9.844  -2.946   0.275
   64   HG13  ILE  12          HG13      ILE  12   8.339  -3.686  -0.244
   65   HG21  ILE  12          HG21      ILE  12   9.148   0.167  -1.072
   66   HG22  ILE  12          HG22      ILE  12   8.699   0.607   0.598
   67   HG23  ILE  12          HG23      ILE  12  10.107  -0.450   0.299
   68   HD11  ILE  12          HD11      ILE  12   9.841  -3.761  -2.103
   69   HD12  ILE  12          HD12      ILE  12   8.593  -2.531  -2.510
   70   HD13  ILE  12          HD13      ILE  12  10.232  -2.011  -1.973
   71    H    THR  13           H        THR  13   7.158  -0.826   3.985
   72    HA   THR  13           HA       THR  13  10.043  -1.018   4.558
   73    HB   THR  13           HB       THR  13   9.936   0.929   5.883
   74    HG1  THR  13           HG1      THR  13   8.164   1.032   7.058
   75   HG21  THR  13          HG21      THR  13   9.326   2.602   4.356
   76   HG22  THR  13          HG22      THR  13   8.013   1.635   3.685
   77   HG23  THR  13          HG23      THR  13   9.689   1.206   3.342
   78    H    THR  14           H        THR  14  10.621  -2.349   6.138
   79    HA   THR  14           HA       THR  14   8.621  -3.672   7.736
   80    HB   THR  14           HB       THR  14  11.551  -3.997   8.249
   81    HG1  THR  14           HG1      THR  14  11.384  -5.617   6.450
   82   HG21  THR  14          HG21      THR  14  10.191  -6.445   7.958
   83   HG22  THR  14          HG22      THR  14   9.116  -5.385   8.870
   84   HG23  THR  14          HG23      THR  14  10.752  -5.694   9.451
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1   1.463  -0.150   0.483
    2    HA2  GLY   1           HA3      GLY   1   1.243  -0.019  -2.068
    3    HA3  GLY   1           HA2      GLY   1   2.799   0.848  -1.976
    4    H    GLY   2           H        GLY   2   2.875  -1.912   0.294
    5    HA2  GLY   2           HA3      GLY   2   4.326  -3.542  -1.677
    6    HA3  GLY   2           HA2      GLY   2   5.251  -2.680  -0.414
    7    HA   PRO   3           HA       PRO   3   3.304  -6.484   1.576
    8    HB2  PRO   3           HB2      PRO   3   5.343  -8.397   1.424
    9    HB3  PRO   3           HB3      PRO   3   4.361  -7.960  -0.003
   10    HG2  PRO   3           HG2      PRO   3   7.058  -6.680   0.763
   11    HG3  PRO   3           HG3      PRO   3   6.706  -7.606  -0.737
   12    HD2  PRO   3           HD2      PRO   3   6.404  -4.869  -0.748
   13    HD3  PRO   3           HD3      PRO   3   5.133  -5.891  -1.519
   14    H    LEU   4           H        LEU   4   4.493  -4.131   2.903
   15    HA   LEU   4           HA       LEU   4   5.500  -5.386   5.405
   16    HB2  LEU   4           HB2      LEU   4   7.003  -3.455   3.577
   17    HB3  LEU   4           HB3      LEU   4   7.551  -3.640   5.199
   18    HG   LEU   4           HG       LEU   4   7.705  -5.915   3.233
   19   HD11  LEU   4          HD11      LEU   4   9.720  -3.873   4.355
   20   HD12  LEU   4          HD12      LEU   4   9.329  -4.251   2.658
   21   HD13  LEU   4          HD13      LEU   4  10.244  -5.412   3.635
   22   HD21  LEU   4          HD21      LEU   4   9.234  -6.555   5.498
   23   HD22  LEU   4          HD22      LEU   4   7.568  -7.120   5.283
   24   HD23  LEU   4          HD23      LEU   4   7.889  -5.678   6.245
   25    H    ALA   5           H        ALA   5   6.148  -2.733   6.440
   26    HA   ALA   5           HA       ALA   5   3.482  -1.474   6.499
   27    HB1  ALA   5           HB1      ALA   5   4.010  -0.976   8.923
   28    HB2  ALA   5           HB2      ALA   5   3.687  -2.665   8.527
   29    HB3  ALA   5           HB3      ALA   5   5.346  -2.118   8.769
   30    H    GLY   6           H        GLY   6   4.240   0.206   5.026
   31    HA2  GLY   6           HA3      GLY   6   5.675   2.451   6.400
   32    HA3  GLY   6           HA2      GLY   6   6.025   1.993   4.705
   33    H    GLU   7           H        GLU   7   2.812   1.642   4.304
   34    HA   GLU   7           HA       GLU   7   2.172   4.549   4.236
   35    HB2  GLU   7           HB2      GLU   7   0.905   3.884   1.951
   36    HB3  GLU   7           HB3      GLU   7   2.636   4.210   1.882
   37    HG2  GLU   7           HG2      GLU   7   3.103   1.934   1.874
   38    HG3  GLU   7           HG3      GLU   7   1.443   1.379   2.287
   39    H    GLU   8           H        GLU   8  -0.337   4.528   3.676
   40    HA   GLU   8           HA       GLU   8  -1.495   3.287   5.959
   41    HB2  GLU   8           HB2      GLU   8  -2.184   5.405   4.540
   42    HB3  GLU   8           HB3      GLU   8  -3.098   4.273   3.511
   43    HG2  GLU   8           HG2      GLU   8  -4.573   3.758   5.451
   44    HG3  GLU   8           HG3      GLU   8  -3.447   4.545   6.593
   45    H    MET   9           H        MET   9  -1.214   2.103   2.509
   46    HA   MET   9           HA       MET   9  -2.890  -0.276   3.322
   47    HB2  MET   9           HB2      MET   9  -2.251   0.762   0.493
   48    HB3  MET   9           HB3      MET   9  -3.254  -0.636   0.960
   49    HG2  MET   9           HG2      MET   9  -4.619   1.225   2.406
   50    HG3  MET   9           HG3      MET   9  -3.884   2.353   1.227
   51    HE1  MET   9           HE1      MET   9  -6.481   2.896   0.840
   52    HE2  MET   9           HE2      MET   9  -7.604   1.830  -0.064
   53    HE3  MET   9           HE3      MET   9  -7.246   1.492   1.660
   54    H    GLY  10           H        GLY  10  -0.590  -0.752   4.489
   55    HA2  GLY  10           HA3      GLY  10   1.020  -2.437   4.505
   56    HA3  GLY  10           HA2      GLY  10   0.275  -3.078   3.046
   57    H    GLY  11           H        GLY  11   2.921  -1.154   4.155
   58    HA2  GLY  11           HA3      GLY  11   3.742  -0.134   1.384
   59    HA3  GLY  11           HA2      GLY  11   4.458   0.432   2.894
   60    H    ILE  12           H        ILE  12   6.398   0.091   1.369
   61    HA   ILE  12           HA       ILE  12   7.168  -2.750   1.509
   62    HB   ILE  12           HB       ILE  12   7.351  -1.442  -0.627
   63   HG12  ILE  12          HG12      ILE  12   9.884  -2.965   0.345
   64   HG13  ILE  12          HG13      ILE  12   8.386  -3.747  -0.143
   65   HG21  ILE  12          HG21      ILE  12   9.033   0.145  -1.043
   66   HG22  ILE  12          HG22      ILE  12   8.678   0.543   0.655
   67   HG23  ILE  12          HG23      ILE  12  10.091  -0.465   0.250
   68   HD11  ILE  12          HD11      ILE  12  10.287  -2.127  -1.912
   69   HD12  ILE  12          HD12      ILE  12   9.807  -3.843  -2.048
   70   HD13  ILE  12          HD13      ILE  12   8.629  -2.558  -2.440
   71    H    THR  13           H        THR  13   7.155  -0.818   3.975
   72    HA   THR  13           HA       THR  13  10.044  -0.939   4.549
   73    HB   THR  13           HB       THR  13   9.898   1.030   5.837
   74    HG1  THR  13           HG1      THR  13   8.117   1.067   7.016
   75   HG21  THR  13          HG21      THR  13   9.109   2.685   4.302
   76   HG22  THR  13          HG22      THR  13   8.001   1.539   3.547
   77   HG23  THR  13          HG23      THR  13   9.743   1.343   3.350
   78    H    THR  14           H        THR  14  10.651  -2.223   6.157
   79    HA   THR  14           HA       THR  14   8.658  -3.512   7.810
   80    HB   THR  14           HB       THR  14  11.512  -3.980   8.414
   81    HG1  THR  14           HG1      THR  14  11.447  -5.394   6.390
   82   HG21  THR  14          HG21      THR  14  10.276  -5.600   9.413
   83   HG22  THR  14          HG22      THR  14  10.441  -6.380   7.840
   84   HG23  THR  14          HG23      THR  14   8.973  -5.484   8.231
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1   1.595  -0.061   0.659
    2    HA2  GLY   1           HA3      GLY   1   1.372   0.372  -2.184
    3    HA3  GLY   1           HA2      GLY   1   2.892   1.025  -1.511
    4    H    GLY   2           H        GLY   2   3.125  -1.603   0.432
    5    HA2  GLY   2           HA3      GLY   2   4.030  -3.440  -1.655
    6    HA3  GLY   2           HA2      GLY   2   5.230  -2.628  -0.591
    7    HA   PRO   3           HA       PRO   3   3.128  -6.339   1.503
    8    HB2  PRO   3           HB2      PRO   3   5.070  -8.316   1.368
    9    HB3  PRO   3           HB3      PRO   3   4.090  -7.876  -0.059
   10    HG2  PRO   3           HG2      PRO   3   6.841  -6.712   0.663
   11    HG3  PRO   3           HG3      PRO   3   6.416  -7.639  -0.822
   12    HD2  PRO   3           HD2      PRO   3   6.280  -4.872  -0.876
   13    HD3  PRO   3           HD3      PRO   3   4.941  -5.827  -1.602
   14    H    LEU   4           H        LEU   4   4.364  -4.048   2.821
   15    HA   LEU   4           HA       LEU   4   5.388  -5.353   5.272
   16    HB2  LEU   4           HB2      LEU   4   7.008  -3.410   3.517
   17    HB3  LEU   4           HB3      LEU   4   7.502  -3.766   5.147
   18    HG   LEU   4           HG       LEU   4   7.574  -5.889   3.083
   19   HD11  LEU   4          HD11      LEU   4   9.621  -3.940   4.310
   20   HD12  LEU   4          HD12      LEU   4   9.320  -4.401   2.613
   21   HD13  LEU   4          HD13      LEU   4  10.112  -5.541   3.718
   22   HD21  LEU   4          HD21      LEU   4   7.095  -7.016   5.180
   23   HD22  LEU   4          HD22      LEU   4   8.007  -5.809   6.125
   24   HD23  LEU   4          HD23      LEU   4   8.866  -7.001   5.071
   25    H    ALA   5           H        ALA   5   6.171  -2.731   6.386
   26    HA   ALA   5           HA       ALA   5   3.529  -1.428   6.537
   27    HB1  ALA   5           HB1      ALA   5   5.479  -2.070   8.737
   28    HB2  ALA   5           HB2      ALA   5   4.131  -0.949   8.936
   29    HB3  ALA   5           HB3      ALA   5   3.821  -2.642   8.551
   30    H    GLY   6           H        GLY   6   3.758   0.475   5.459
   31    HA2  GLY   6           HA3      GLY   6   5.708   2.451   6.374
   32    HA3  GLY   6           HA2      GLY   6   5.803   1.944   4.650
   33    H    GLU   7           H        GLU   7   2.939   1.799   4.066
   34    HA   GLU   7           HA       GLU   7   2.172   4.671   4.271
   35    HB2  GLU   7           HB2      GLU   7   0.786   3.984   2.061
   36    HB3  GLU   7           HB3      GLU   7   2.528   4.344   1.926
   37    HG2  GLU   7           HG2      GLU   7   3.040   2.102   1.793
   38    HG3  GLU   7           HG3      GLU   7   1.456   1.499   2.419
   39    H    GLU   8           H        GLU   8  -0.371   4.707   3.862
   40    HA   GLU   8           HA       GLU   8  -1.495   3.399   6.108
   41    HB2  GLU   8           HB2      GLU   8  -2.367   5.489   4.595
   42    HB3  GLU   8           HB3      GLU   8  -3.175   4.197   3.693
   43    HG2  GLU   8           HG2      GLU   8  -4.005   3.548   6.237
   44    HG3  GLU   8           HG3      GLU   8  -3.562   5.241   6.559
   45    H    MET   9           H        MET   9  -1.152   2.266   2.678
   46    HA   MET   9           HA       MET   9  -2.940  -0.078   3.318
   47    HB2  MET   9           HB2      MET   9  -2.080   1.178   0.670
   48    HB3  MET   9           HB3      MET   9  -3.113  -0.262   0.823
   49    HG2  MET   9           HG2      MET   9  -3.926   2.388   2.159
   50    HG3  MET   9           HG3      MET   9  -4.270   2.075   0.443
   51    HE1  MET   9           HE1      MET   9  -5.609   0.181  -0.505
   52    HE2  MET   9           HE2      MET   9  -7.042  -0.480   0.338
   53    HE3  MET   9           HE3      MET   9  -6.944   1.274  -0.010
   54    H    GLY  10           H        GLY  10  -0.564  -0.568   4.534
   55    HA2  GLY  10           HA3      GLY  10   1.034  -2.258   4.560
   56    HA3  GLY  10           HA2      GLY  10   0.317  -2.911   3.080
   57    H    GLY  11           H        GLY  11   3.041  -1.208   4.310
   58    HA2  GLY  11           HA3      GLY  11   3.736   0.071   1.704
   59    HA3  GLY  11           HA2      GLY  11   4.528   0.390   3.227
   60    H    ILE  12           H        ILE  12   6.378   0.148   1.458
   61    HA   ILE  12           HA       ILE  12   7.111  -2.734   1.431
   62    HB   ILE  12           HB       ILE  12   7.225  -1.345  -0.679
   63   HG12  ILE  12          HG12      ILE  12   9.765  -2.938   0.134
   64   HG13  ILE  12          HG13      ILE  12   8.229  -3.700  -0.273
   65   HG21  ILE  12          HG21      ILE  12   8.976   0.145  -1.113
   66   HG22  ILE  12          HG22      ILE  12   8.655   0.521   0.602
   67   HG23  ILE  12          HG23      ILE  12  10.033  -0.518   0.157
   68   HD11  ILE  12          HD11      ILE  12   9.940  -2.021  -2.181
   69   HD12  ILE  12          HD12      ILE  12   9.628  -3.777  -2.210
   70   HD13  ILE  12          HD13      ILE  12   8.301  -2.635  -2.556
   71    H    THR  13           H        THR  13   7.228  -0.837   3.920
   72    HA   THR  13           HA       THR  13  10.113  -1.177   4.429
   73    HB   THR  13           HB       THR  13   9.721   0.750   6.113
   74    HG1  THR  13           HG1      THR  13   8.008   2.137   5.501
   75   HG21  THR  13          HG21      THR  13   9.993   2.450   4.258
   76   HG22  THR  13          HG22      THR  13   9.770   1.119   3.122
   77   HG23  THR  13          HG23      THR  13  11.135   1.107   4.238
   78    H    THR  14           H        THR  14  10.668  -2.394   6.116
   79    HA   THR  14           HA       THR  14   8.626  -3.610   7.738
   80    HB   THR  14           HB       THR  14  11.635  -3.873   7.894
   81    HG1  THR  14           HG1      THR  14  10.103  -5.979   6.974
   82   HG21  THR  14          HG21      THR  14   9.406  -5.071   9.436
   83   HG22  THR  14          HG22      THR  14  11.065  -4.727   9.924
   84   HG23  THR  14          HG23      THR  14  10.711  -6.152   8.949
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1   1.506  -0.012   0.427
    2    HA2  GLY   1           HA3      GLY   1   1.217  -0.011  -2.056
    3    HA3  GLY   1           HA2      GLY   1   2.785   0.862  -2.105
    4    H    GLY   2           H        GLY   2   2.784  -1.972   0.210
    5    HA2  GLY   2           HA3      GLY   2   4.251  -3.602  -1.753
    6    HA3  GLY   2           HA2      GLY   2   5.216  -2.699  -0.553
    7    HA   PRO   3           HA       PRO   3   3.293  -6.471   1.546
    8    HB2  PRO   3           HB2      PRO   3   5.265  -8.437   1.364
    9    HB3  PRO   3           HB3      PRO   3   4.337  -7.937  -0.076
   10    HG2  PRO   3           HG2      PRO   3   7.029  -6.704   0.792
   11    HG3  PRO   3           HG3      PRO   3   6.727  -7.627  -0.724
   12    HD2  PRO   3           HD2      PRO   3   6.403  -4.876  -0.749
   13    HD3  PRO   3           HD3      PRO   3   5.159  -5.913  -1.537
   14    H    LEU   4           H        LEU   4   4.444  -4.151   2.902
   15    HA   LEU   4           HA       LEU   4   5.452  -5.405   5.386
   16    HB2  LEU   4           HB2      LEU   4   7.037  -3.510   3.585
   17    HB3  LEU   4           HB3      LEU   4   7.533  -3.755   5.239
   18    HG   LEU   4           HG       LEU   4   7.700  -6.015   3.264
   19   HD11  LEU   4          HD11      LEU   4   9.293  -4.315   2.655
   20   HD12  LEU   4          HD12      LEU   4  10.233  -5.519   3.575
   21   HD13  LEU   4          HD13      LEU   4   9.721  -3.993   4.359
   22   HD21  LEU   4          HD21      LEU   4   8.466  -5.662   6.216
   23   HD22  LEU   4          HD22      LEU   4   9.128  -6.971   5.214
   24   HD23  LEU   4          HD23      LEU   4   7.393  -6.932   5.573
   25    H    ALA   5           H        ALA   5   6.128  -2.732   6.420
   26    HA   ALA   5           HA       ALA   5   3.470  -1.455   6.470
   27    HB1  ALA   5           HB1      ALA   5   3.650  -2.647   8.496
   28    HB2  ALA   5           HB2      ALA   5   5.317  -2.126   8.745
   29    HB3  ALA   5           HB3      ALA   5   3.998  -0.966   8.899
   30    H    GLY   6           H        GLY   6   4.282   0.206   4.958
   31    HA2  GLY   6           HA3      GLY   6   5.652   2.454   6.408
   32    HA3  GLY   6           HA2      GLY   6   6.056   2.011   4.733
   33    H    GLU   7           H        GLU   7   2.830   1.696   4.298
   34    HA   GLU   7           HA       GLU   7   2.197   4.608   4.205
   35    HB2  GLU   7           HB2      GLU   7   0.950   3.980   1.914
   36    HB3  GLU   7           HB3      GLU   7   2.693   4.240   1.843
   37    HG2  GLU   7           HG2      GLU   7   3.071   1.923   1.980
   38    HG3  GLU   7           HG3      GLU   7   1.330   1.493   2.195
   39    H    GLU   8           H        GLU   8  -0.299   4.697   3.723
   40    HA   GLU   8           HA       GLU   8  -1.529   3.437   5.919
   41    HB2  GLU   8           HB2      GLU   8  -2.328   5.468   4.341
   42    HB3  GLU   8           HB3      GLU   8  -3.132   4.166   3.425
   43    HG2  GLU   8           HG2      GLU   8  -4.358   3.582   5.629
   44    HG3  GLU   8           HG3      GLU   8  -3.481   4.931   6.408
   45    H    MET   9           H        MET   9  -1.153   2.187   2.487
   46    HA   MET   9           HA       MET   9  -2.886  -0.171   3.265
   47    HB2  MET   9           HB2      MET   9  -2.134   0.983   0.514
   48    HB3  MET   9           HB3      MET   9  -3.136  -0.451   0.812
   49    HG2  MET   9           HG2      MET   9  -4.224   1.780   2.399
   50    HG3  MET   9           HG3      MET   9  -4.057   2.336   0.711
   51    HE1  MET   9           HE1      MET   9  -7.801   0.942   1.802
   52    HE2  MET   9           HE2      MET   9  -6.641   2.198   2.338
   53    HE3  MET   9           HE3      MET   9  -7.303   2.237   0.666
   54    H    GLY  10           H        GLY  10  -0.563  -0.702   4.433
   55    HA2  GLY  10           HA3      GLY  10   1.005  -2.425   4.448
   56    HA3  GLY  10           HA2      GLY  10   0.248  -3.062   3.000
   57    H    GLY  11           H        GLY  11   2.966  -1.174   4.062
   58    HA2  GLY  11           HA3      GLY  11   3.737  -0.143   1.290
   59    HA3  GLY  11           HA2      GLY  11   4.454   0.406   2.818
   60    H    ILE  12           H        ILE  12   6.422   0.093   1.312
   61    HA   ILE  12           HA       ILE  12   7.165  -2.742   1.467
   62    HB   ILE  12           HB       ILE  12   7.389  -1.445  -0.670
   63   HG12  ILE  12          HG12      ILE  12   9.931  -2.909   0.292
   64   HG13  ILE  12          HG13      ILE  12   8.474  -3.755  -0.145
   65   HG21  ILE  12          HG21      ILE  12  10.110  -0.451   0.226
   66   HG22  ILE  12          HG22      ILE  12   9.075   0.168  -1.084
   67   HG23  ILE  12          HG23      ILE  12   8.694   0.557   0.609
   68   HD11  ILE  12          HD11      ILE  12   9.095  -3.762  -2.328
   69   HD12  ILE  12          HD12      ILE  12   9.101  -1.988  -2.400
   70   HD13  ILE  12          HD13      ILE  12  10.573  -2.859  -1.906
   71    H    THR  13           H        THR  13   7.157  -0.823   3.961
   72    HA   THR  13           HA       THR  13  10.043  -0.970   4.547
   73    HB   THR  13           HB       THR  13   9.907   0.996   5.840
   74    HG1  THR  13           HG1      THR  13   8.071   0.857   7.006
   75   HG21  THR  13          HG21      THR  13   9.773   1.325   3.358
   76   HG22  THR  13          HG22      THR  13   9.128   2.664   4.307
   77   HG23  THR  13          HG23      THR  13   8.030   1.519   3.537
   78    H    THR  14           H        THR  14  10.627  -2.277   6.144
   79    HA   THR  14           HA       THR  14   8.630  -3.574   7.771
   80    HB   THR  14           HB       THR  14  11.545  -3.936   8.299
   81    HG1  THR  14           HG1      THR  14  11.592  -5.397   6.475
   82   HG21  THR  14          HG21      THR  14   9.086  -5.309   8.841
   83   HG22  THR  14          HG22      THR  14  10.708  -5.656   9.442
   84   HG23  THR  14          HG23      THR  14  10.161  -6.361   7.921
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1   1.474  -0.084   0.459
    2    HA2  GLY   1           HA3      GLY   1   1.283   0.106  -2.096
    3    HA3  GLY   1           HA2      GLY   1   2.857   0.936  -1.964
    4    H    GLY   2           H        GLY   2   2.854  -1.865   0.254
    5    HA2  GLY   2           HA3      GLY   2   4.293  -3.488  -1.734
    6    HA3  GLY   2           HA2      GLY   2   5.222  -2.664  -0.450
    7    HA   PRO   3           HA       PRO   3   3.196  -6.459   1.467
    8    HB2  PRO   3           HB2      PRO   3   5.195  -8.411   1.293
    9    HB3  PRO   3           HB3      PRO   3   4.234  -7.927  -0.133
   10    HG2  PRO   3           HG2      PRO   3   6.948  -6.711   0.678
   11    HG3  PRO   3           HG3      PRO   3   6.594  -7.607  -0.840
   12    HD2  PRO   3           HD2      PRO   3   6.341  -4.865  -0.811
   13    HD3  PRO   3           HD3      PRO   3   5.058  -5.851  -1.608
   14    H    LEU   4           H        LEU   4   4.424  -4.159   2.844
   15    HA   LEU   4           HA       LEU   4   5.338  -5.486   5.341
   16    HB2  LEU   4           HB2      LEU   4   6.967  -3.536   3.639
   17    HB3  LEU   4           HB3      LEU   4   7.442  -3.851   5.281
   18    HG   LEU   4           HG       LEU   4   7.630  -6.023   3.232
   19   HD11  LEU   4          HD11      LEU   4   9.595  -3.955   4.399
   20   HD12  LEU   4          HD12      LEU   4   9.315  -4.418   2.702
   21   HD13  LEU   4          HD13      LEU   4  10.187  -5.511   3.792
   22   HD21  LEU   4          HD21      LEU   4   7.228  -7.030   5.458
   23   HD22  LEU   4          HD22      LEU   4   8.244  -5.815   6.259
   24   HD23  LEU   4          HD23      LEU   4   8.980  -7.045   5.217
   25    H    ALA   5           H        ALA   5   6.037  -2.842   6.415
   26    HA   ALA   5           HA       ALA   5   3.391  -1.542   6.468
   27    HB1  ALA   5           HB1      ALA   5   3.948  -1.086   8.916
   28    HB2  ALA   5           HB2      ALA   5   3.508  -2.738   8.480
   29    HB3  ALA   5           HB3      ALA   5   5.201  -2.315   8.735
   30    H    GLY   6           H        GLY   6   4.219   0.142   5.024
   31    HA2  GLY   6           HA3      GLY   6   5.657   2.341   6.468
   32    HA3  GLY   6           HA2      GLY   6   6.034   1.909   4.771
   33    H    GLU   7           H        GLU   7   2.812   1.620   4.322
   34    HA   GLU   7           HA       GLU   7   2.229   4.541   4.298
   35    HB2  GLU   7           HB2      GLU   7   0.968   3.945   2.001
   36    HB3  GLU   7           HB3      GLU   7   2.709   4.228   1.945
   37    HG2  GLU   7           HG2      GLU   7   3.122   1.941   1.896
   38    HG3  GLU   7           HG3      GLU   7   1.447   1.418   2.287
   39    H    GLU   8           H        GLU   8  -0.264   4.615   3.753
   40    HA   GLU   8           HA       GLU   8  -1.532   3.405   5.958
   41    HB2  GLU   8           HB2      GLU   8  -2.280   5.414   4.188
   42    HB3  GLU   8           HB3      GLU   8  -3.164   4.081   3.470
   43    HG2  GLU   8           HG2      GLU   8  -4.794   4.875   4.990
   44    HG3  GLU   8           HG3      GLU   8  -3.953   3.822   6.149
   45    H    MET   9           H        MET   9  -1.176   2.175   2.532
   46    HA   MET   9           HA       MET   9  -2.981  -0.157   3.218
   47    HB2  MET   9           HB2      MET   9  -2.095   1.070   0.556
   48    HB3  MET   9           HB3      MET   9  -3.104  -0.387   0.692
   49    HG2  MET   9           HG2      MET   9  -4.121   2.149   2.088
   50    HG3  MET   9           HG3      MET   9  -4.222   2.008   0.306
   51    HE1  MET   9           HE1      MET   9  -6.653   2.495   0.629
   52    HE2  MET   9           HE2      MET   9  -6.940   1.138  -0.508
   53    HE3  MET   9           HE3      MET   9  -7.870   1.243   1.019
   54    H    GLY  10           H        GLY  10  -0.653  -0.730   4.448
   55    HA2  GLY  10           HA3      GLY  10   0.942  -2.432   4.437
   56    HA3  GLY  10           HA2      GLY  10   0.201  -3.036   2.962
   57    H    GLY  11           H        GLY  11   2.855  -1.156   4.129
   58    HA2  GLY  11           HA3      GLY  11   3.744  -0.129   1.380
   59    HA3  GLY  11           HA2      GLY  11   4.449   0.405   2.904
   60    H    ILE  12           H        ILE  12   6.397   0.041   1.401
   61    HA   ILE  12           HA       ILE  12   7.118  -2.817   1.532
   62    HB   ILE  12           HB       ILE  12   7.343  -1.462  -0.597
   63   HG12  ILE  12          HG12      ILE  12   9.832  -3.055   0.377
   64   HG13  ILE  12          HG13      ILE  12   8.328  -3.792  -0.158
   65   HG21  ILE  12          HG21      ILE  12   9.061   0.101  -0.964
   66   HG22  ILE  12          HG22      ILE  12   8.690   0.475   0.735
   67   HG23  ILE  12          HG23      ILE  12  10.089  -0.552   0.332
   68   HD11  ILE  12          HD11      ILE  12   9.784  -3.867  -2.040
   69   HD12  ILE  12          HD12      ILE  12   8.637  -2.550  -2.420
   70   HD13  ILE  12          HD13      ILE  12  10.293  -2.165  -1.851
   71    H    THR  13           H        THR  13   7.107  -0.905   4.001
   72    HA   THR  13           HA       THR  13   9.985  -1.095   4.609
   73    HB   THR  13           HB       THR  13   9.858   0.852   5.934
   74    HG1  THR  13           HG1      THR  13   8.089   1.118   7.055
   75   HG21  THR  13          HG21      THR  13   9.774   1.241   3.470
   76   HG22  THR  13          HG22      THR  13   9.084   2.555   4.422
   77   HG23  THR  13          HG23      THR  13   8.024   1.409   3.602
   78    H    THR  14           H        THR  14  10.545  -2.426   6.196
   79    HA   THR  14           HA       THR  14   8.527  -3.748   7.772
   80    HB   THR  14           HB       THR  14  10.498  -4.973   6.902
   81    HG1  THR  14           HG1      THR  14   9.404  -5.740   8.776
   82   HG21  THR  14          HG21      THR  14  12.079  -3.491   9.000
   83   HG22  THR  14          HG22      THR  14  12.115  -3.088   7.284
   84   HG23  THR  14          HG23      THR  14  12.679  -4.666   7.831
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1   1.523   0.049   0.617
    2    HA2  GLY   1           HA3      GLY   1   1.323   0.384  -2.029
    3    HA3  GLY   1           HA2      GLY   1   2.924   1.110  -1.755
    4    H    GLY   2           H        GLY   2   3.035  -1.544   0.443
    5    HA2  GLY   2           HA3      GLY   2   4.185  -3.311  -1.611
    6    HA3  GLY   2           HA2      GLY   2   5.205  -2.575  -0.371
    7    HA   PRO   3           HA       PRO   3   3.047  -6.329   1.548
    8    HB2  PRO   3           HB2      PRO   3   4.999  -8.290   1.325
    9    HB3  PRO   3           HB3      PRO   3   3.997  -7.796  -0.071
   10    HG2  PRO   3           HG2      PRO   3   6.760  -6.650   0.648
   11    HG3  PRO   3           HG3      PRO   3   6.323  -7.519  -0.869
   12    HD2  PRO   3           HD2      PRO   3   6.193  -4.792  -0.785
   13    HD3  PRO   3           HD3      PRO   3   4.840  -5.710  -1.548
   14    H    LEU   4           H        LEU   4   4.305  -4.061   2.894
   15    HA   LEU   4           HA       LEU   4   5.289  -5.382   5.362
   16    HB2  LEU   4           HB2      LEU   4   6.908  -3.529   3.541
   17    HB3  LEU   4           HB3      LEU   4   7.403  -3.723   5.180
   18    HG   LEU   4           HG       LEU   4   7.538  -5.989   3.260
   19   HD11  LEU   4          HD11      LEU   4  10.072  -5.519   3.812
   20   HD12  LEU   4          HD12      LEU   4   9.521  -3.904   4.314
   21   HD13  LEU   4          HD13      LEU   4   9.238  -4.456   2.653
   22   HD21  LEU   4          HD21      LEU   4   7.090  -6.957   5.421
   23   HD22  LEU   4          HD22      LEU   4   7.968  -5.685   6.292
   24   HD23  LEU   4          HD23      LEU   4   8.866  -6.908   5.351
   25    H    ALA   5           H        ALA   5   6.071  -2.798   6.437
   26    HA   ALA   5           HA       ALA   5   3.442  -1.471   6.577
   27    HB1  ALA   5           HB1      ALA   5   5.360  -2.172   8.785
   28    HB2  ALA   5           HB2      ALA   5   4.041  -1.019   8.989
   29    HB3  ALA   5           HB3      ALA   5   3.689  -2.699   8.582
   30    H    GLY   6           H        GLY   6   3.740   0.432   5.495
   31    HA2  GLY   6           HA3      GLY   6   5.734   2.390   6.424
   32    HA3  GLY   6           HA2      GLY   6   5.772   1.943   4.688
   33    H    GLU   7           H        GLU   7   2.846   1.799   4.214
   34    HA   GLU   7           HA       GLU   7   2.168   4.677   4.420
   35    HB2  GLU   7           HB2      GLU   7   0.820   4.002   2.161
   36    HB3  GLU   7           HB3      GLU   7   2.539   4.382   2.050
   37    HG2  GLU   7           HG2      GLU   7   3.119   2.151   1.980
   38    HG3  GLU   7           HG3      GLU   7   1.489   1.498   2.446
   39    H    GLU   8           H        GLU   8  -0.345   4.652   3.907
   40    HA   GLU   8           HA       GLU   8  -1.497   3.367   6.149
   41    HB2  GLU   8           HB2      GLU   8  -2.218   5.519   4.696
   42    HB3  GLU   8           HB3      GLU   8  -3.094   4.317   3.736
   43    HG2  GLU   8           HG2      GLU   8  -3.716   3.925   6.605
   44    HG3  GLU   8           HG3      GLU   8  -3.795   5.664   6.276
   45    H    MET   9           H        MET   9  -1.172   2.252   2.711
   46    HA   MET   9           HA       MET   9  -2.989  -0.076   3.348
   47    HB2  MET   9           HB2      MET   9  -2.187   1.161   0.655
   48    HB3  MET   9           HB3      MET   9  -3.233  -0.271   0.875
   49    HG2  MET   9           HG2      MET   9  -4.922   1.115   2.104
   50    HG3  MET   9           HG3      MET   9  -3.858   2.544   1.958
   51    HE1  MET   9           HE1      MET   9  -6.681   0.702  -1.011
   52    HE2  MET   9           HE2      MET   9  -5.100   0.021  -1.501
   53    HE3  MET   9           HE3      MET   9  -5.725  -0.259   0.158
   54    H    GLY  10           H        GLY  10  -0.629  -0.545   4.560
   55    HA2  GLY  10           HA3      GLY  10   0.953  -2.267   4.594
   56    HA3  GLY  10           HA2      GLY  10   0.228  -2.869   3.103
   57    H    GLY  11           H        GLY  11   3.039  -1.243   4.321
   58    HA2  GLY  11           HA3      GLY  11   3.745   0.091   1.720
   59    HA3  GLY  11           HA2      GLY  11   4.477   0.420   3.277
   60    H    ILE  12           H        ILE  12   6.380   0.126   1.517
   61    HA   ILE  12           HA       ILE  12   7.026  -2.762   1.507
   62    HB   ILE  12           HB       ILE  12   7.206  -1.400  -0.565
   63   HG12  ILE  12          HG12      ILE  12   9.716  -3.018   0.224
   64   HG13  ILE  12          HG13      ILE  12   8.159  -3.732  -0.211
   65   HG21  ILE  12          HG21      ILE  12   8.671   0.453   0.810
   66   HG22  ILE  12          HG22      ILE  12  10.020  -0.550   0.241
   67   HG23  ILE  12          HG23      ILE  12   8.908   0.195  -0.932
   68   HD11  ILE  12          HD11      ILE  12   9.516  -3.815  -2.175
   69   HD12  ILE  12          HD12      ILE  12   8.296  -2.539  -2.451
   70   HD13  ILE  12          HD13      ILE  12   9.982  -2.094  -2.026
   71    H    THR  13           H        THR  13   7.170  -0.904   4.000
   72    HA   THR  13           HA       THR  13  10.045  -1.280   4.533
   73    HB   THR  13           HB       THR  13   9.655   0.619   6.247
   74    HG1  THR  13           HG1      THR  13   7.960   2.037   5.628
   75   HG21  THR  13          HG21      THR  13   9.863   2.348   4.346
   76   HG22  THR  13          HG22      THR  13   9.810   0.954   3.267
   77   HG23  THR  13          HG23      THR  13  11.095   1.092   4.467
   78    H    THR  14           H        THR  14  10.543  -2.599   6.153
   79    HA   THR  14           HA       THR  14   8.433  -3.667   7.831
   80    HB   THR  14           HB       THR  14  10.158  -5.157   6.832
   81    HG1  THR  14           HG1      THR  14   9.185  -6.015   8.607
   82   HG21  THR  14          HG21      THR  14  12.400  -5.131   7.486
   83   HG22  THR  14          HG22      THR  14  12.075  -4.123   8.896
   84   HG23  THR  14          HG23      THR  14  12.016  -3.422   7.279
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1   1.613  -0.058   0.448
    2    HA2  GLY   1           HA3      GLY   1   1.385   0.082  -2.228
    3    HA3  GLY   1           HA2      GLY   1   2.955   0.869  -1.963
    4    H    GLY   2           H        GLY   2   3.074  -1.716   0.301
    5    HA2  GLY   2           HA3      GLY   2   4.260  -3.566  -1.664
    6    HA3  GLY   2           HA2      GLY   2   5.321  -2.703  -0.499
    7    HA   PRO   3           HA       PRO   3   3.261  -6.458   1.564
    8    HB2  PRO   3           HB2      PRO   3   5.257  -8.367   1.434
    9    HB3  PRO   3           HB3      PRO   3   4.298  -7.952   0.003
   10    HG2  PRO   3           HG2      PRO   3   6.992  -6.708   0.764
   11    HG3  PRO   3           HG3      PRO   3   6.626  -7.633  -0.719
   12    HD2  PRO   3           HD2      PRO   3   6.399  -4.903  -0.760
   13    HD3  PRO   3           HD3      PRO   3   5.119  -5.890  -1.516
   14    H    LEU   4           H        LEU   4   4.431  -4.112   2.852
   15    HA   LEU   4           HA       LEU   4   5.442  -5.351   5.343
   16    HB2  LEU   4           HB2      LEU   4   7.030  -3.501   3.499
   17    HB3  LEU   4           HB3      LEU   4   7.487  -3.615   5.169
   18    HG   LEU   4           HG       LEU   4   7.695  -5.954   3.284
   19   HD11  LEU   4          HD11      LEU   4  10.204  -5.458   3.788
   20   HD12  LEU   4          HD12      LEU   4   9.673  -3.871   4.395
   21   HD13  LEU   4          HD13      LEU   4   9.345  -4.339   2.698
   22   HD21  LEU   4          HD21      LEU   4   9.102  -6.791   5.374
   23   HD22  LEU   4          HD22      LEU   4   7.323  -6.917   5.486
   24   HD23  LEU   4          HD23      LEU   4   8.177  -5.561   6.289
   25    H    ALA   5           H        ALA   5   6.117  -2.689   6.411
   26    HA   ALA   5           HA       ALA   5   3.450  -1.432   6.472
   27    HB1  ALA   5           HB1      ALA   5   5.352  -2.007   8.732
   28    HB2  ALA   5           HB2      ALA   5   3.982  -0.904   8.879
   29    HB3  ALA   5           HB3      ALA   5   3.708  -2.607   8.513
   30    H    GLY   6           H        GLY   6   3.694   0.415   5.325
   31    HA2  GLY   6           HA3      GLY   6   5.573   2.469   6.300
   32    HA3  GLY   6           HA2      GLY   6   5.708   1.943   4.568
   33    H    GLU   7           H        GLU   7   2.818   1.752   3.965
   34    HA   GLU   7           HA       GLU   7   2.036   4.612   4.088
   35    HB2  GLU   7           HB2      GLU   7   0.747   3.874   1.839
   36    HB3  GLU   7           HB3      GLU   7   2.477   4.266   1.739
   37    HG2  GLU   7           HG2      GLU   7   3.034   2.013   1.795
   38    HG3  GLU   7           HG3      GLU   7   1.367   1.441   2.176
   39    H    GLU   8           H        GLU   8  -0.492   4.551   3.589
   40    HA   GLU   8           HA       GLU   8  -1.667   3.269   5.817
   41    HB2  GLU   8           HB2      GLU   8  -2.457   5.358   4.323
   42    HB3  GLU   8           HB3      GLU   8  -3.266   4.104   3.346
   43    HG2  GLU   8           HG2      GLU   8  -4.551   3.472   5.470
   44    HG3  GLU   8           HG3      GLU   8  -3.614   4.709   6.363
   45    H    MET   9           H        MET   9  -1.209   2.093   2.414
   46    HA   MET   9           HA       MET   9  -2.918  -0.292   3.102
   47    HB2  MET   9           HB2      MET   9  -2.107   0.884   0.386
   48    HB3  MET   9           HB3      MET   9  -3.119  -0.564   0.633
   49    HG2  MET   9           HG2      MET   9  -3.874   2.257   1.607
   50    HG3  MET   9           HG3      MET   9  -4.491   1.482   0.120
   51    HE1  MET   9           HE1      MET   9  -7.207   1.385   3.308
   52    HE2  MET   9           HE2      MET   9  -5.868   2.558   3.096
   53    HE3  MET   9           HE3      MET   9  -6.980   2.205   1.725
   54    H    GLY  10           H        GLY  10  -0.600  -0.676   4.348
   55    HA2  GLY  10           HA3      GLY  10   1.044  -2.330   4.450
   56    HA3  GLY  10           HA2      GLY  10   0.390  -3.023   2.966
   57    H    GLY  11           H        GLY  11   3.110  -1.343   4.181
   58    HA2  GLY  11           HA3      GLY  11   3.780  -0.039   1.544
   59    HA3  GLY  11           HA2      GLY  11   4.494   0.373   3.089
   60    H    ILE  12           H        ILE  12   6.421   0.104   1.426
   61    HA   ILE  12           HA       ILE  12   7.205  -2.747   1.467
   62    HB   ILE  12           HB       ILE  12   7.333  -1.395  -0.639
   63   HG12  ILE  12          HG12      ILE  12   9.854  -2.956   0.243
   64   HG13  ILE  12          HG13      ILE  12   8.333  -3.707  -0.232
   65   HG21  ILE  12          HG21      ILE  12   8.723   0.514   0.651
   66   HG22  ILE  12          HG22      ILE  12  10.116  -0.511   0.227
   67   HG23  ILE  12          HG23      ILE  12   9.073   0.143  -1.058
   68   HD11  ILE  12          HD11      ILE  12  10.253  -2.161  -2.022
   69   HD12  ILE  12          HD12      ILE  12   9.671  -3.840  -2.158
   70   HD13  ILE  12          HD13      ILE  12   8.560  -2.488  -2.502
   71    H    THR  13           H        THR  13   7.205  -0.832   3.942
   72    HA   THR  13           HA       THR  13  10.081  -1.115   4.532
   73    HB   THR  13           HB       THR  13   9.610   0.820   6.185
   74    HG1  THR  13           HG1      THR  13   7.887   2.169   5.512
   75   HG21  THR  13          HG21      THR  13   9.720   2.479   4.152
   76   HG22  THR  13          HG22      THR  13   9.900   0.994   3.218
   77   HG23  THR  13          HG23      THR  13  11.062   1.385   4.485
   78    H    THR  14           H        THR  14  10.587  -2.370   6.199
   79    HA   THR  14           HA       THR  14   8.510  -3.538   7.818
   80    HB   THR  14           HB       THR  14  11.309  -4.020   8.609
   81    HG1  THR  14           HG1      THR  14  11.636  -5.333   6.696
   82   HG21  THR  14          HG21      THR  14  10.004  -6.373   7.807
   83   HG22  THR  14          HG22      THR  14   8.771  -5.373   8.576
   84   HG23  THR  14          HG23      THR  14  10.244  -5.787   9.452