*HEADER    DE NOVO PROTEIN                         10-OCT-16   5H1I              
*TITLE     NMR STRUCTURE OF TIBA, A CHIMERA OF SFTI                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BRADYKININ-TRYPSIN INHIBITOR SECONDARY LOOP CHIMERA;       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: CYCLIC PEPTIDE OF DALK(BA) (RESIDUES 1-10) AND TI LOOP
*COMPND   6 SFTI (RESIDUES 11-18)                                                
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS;                              
*SOURCE   4 ORGANISM_TAXID: 4232                                                 
*KEYWDS    TIBA, CHIMERA, SUNFLOWER TRYPSIN INHIBITOR, CYCLIC PEPTIDE, DE NOVO   
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.XIAO,J.P.TAM                                                        
*REVDAT   1   19-APR-17 5H1I    0                                                
# Restraints file 1: TIBAnoe.txt
assign (resid 1 and name HA) (resid 1 and name HN) 5 3.4 0
assign (resid 18 and name HD#) (resid 1 and name HN) 3.4 1.8 1
assign (resid 1 and name HB#) (resid 1 and name HN) 3.4 1.8 0.6
assign (resid 18 and name HA) (resid 1 and name HN) 3.4 1.8 0
assign (resid 1 and name HB#) (resid 2 and name HN) 5 3.4 1
assign (resid 2 and name HG#) (resid 2 and name HN) 5 3.4 1
assign (resid 11 and name HA) (resid 2 and name HN) 5 3.4 0
assign (resid 2 and name HB#) (resid 2 and name HN) 5 1.8 0.6
assign (resid 2 and name HA) (resid 2 and name HN) 3.4 1.8 0
assign (resid 1 and name HA) (resid 2 and name HN) 3.4 1.8 0
assign (resid 3 and name HG#) (resid 3 and name HN) 5 3.4 1
assign (resid 3 and name HB#) (resid 3 and name HN) 3.4 1.8 0.6
assign (resid 2 and name HA) (resid 3 and name HN) 3.4 1.8 0
assign (resid 9 and name HA) (resid 3 and name HN) 5 3.4 0
assign (resid 5 and name HA) (resid 6 and name HN) 3.4 1.8 0
assign (resid 6 and name HA#) (resid 6 and name HN) 3.4 1.8 0.6
assign (resid 7 and name HB#) (resid 7 and name HN) 5 3.4 0.6
assign (resid 6 and name HA#) (resid 7 and name HN) 3.4 1.8 1
assign (resid 6 and name HN) (resid 7 and name HN) 3.4 1.8 0
assign (resid 8 and name HB#) (resid 8 and name HN) 3.4 1.8 0.6
assign (resid 8 and name HA) (resid 8 and name HN) 3.4 1.8 0
assign (resid 7 and name HA) (resid 8 and name HN) 3.4 1.8 0
assign (resid 7 and name HB#) (resid 8 and name HN) 3.4 1.8 1
assign (resid 11 and name HN) (resid 10 and name HN) 5 3.4 0
assign (resid 2 and name HN) (resid 10 and name HN) 5 3.4 0
assign (resid 10 and name HB#) (resid 10 and name HN) 3.4 1.8 0.6
assign (resid 10 and name HA) (resid 10 and name HN) 3.4 1.8 0
assign (resid 9 and name HA) (resid 10 and name HN) 3.4 1.8 0
assign (resid 10 and name HB#) (resid 11 and name HN) 5 3.4 1
assign (resid 11 and name HA) (resid 11 and name HN) 3.4 1.8 0
assign (resid 11 and name HB#) (resid 11 and name HN) 3.4 1.8 0.6
assign (resid 10 and name HA) (resid 11 and name HN) 3.4 1.8 0
assign (resid 11 and name HB#) (resid 12 and name HN) 5 3.4 1
assign (resid 12 and name HA) (resid 12 and name HN) 3.4 1.8 0
assign (resid 1 and name HA) (resid 12 and name HN) 5 3.4 0
assign (resid 12 and name HG#) (resid 12 and name HN) 3.4 1.8 1
assign (resid 12 and name HB) (resid 12 and name HN) 3.4 1.8 0
assign (resid 18 and name HN) (resid 12 and name HN) 5 3.4 0
assign (resid 11 and name HA) (resid 12 and name HN) 3.4 1.8 0
assign (resid 13 and name HG#) (resid 13 and name HN) 5 3.4 1
assign (resid 13 and name HB#) (resid 13 and name HN) 5 3.4 0.6
assign (resid 13 and name HD#) (resid 13 and name HN) 5 3.4 1
assign (resid 12 and name HG#) (resid 13 and name HN) 5 3.4 1
assign (resid 13 and name HA) (resid 13 and name HN) 3.4 1.8 0
assign (resid 12 and name HA) (resid 13 and name HN) 3.4 1.8 0
assign (resid 12 and name HB) (resid 13 and name HN) 3.4 1.8 0
assign (resid 14 and name HB#) (resid 14 and name HN) 3.4 1.8 0.6
assign (resid 12 and name HA) (resid 14 and name HN) 5 3.4 0
assign (resid 13 and name HN) (resid 14 and name HN) 3.4 1.8 0
assign (resid 13 and name HA) (resid 14 and name HN) 3.4 1.8 0
assign (resid 14 and name HA) (resid 14 and name HN) 3.4 1.8 0
assign (resid 15 and name HG1#) (resid 15 and name HN) 5 3.4 1
assign (resid 15 and name HD#) (resid 15 and name HN) 5 3.4 1
assign (resid 15 and name HA) (resid 15 and name HN) 3.4 1.8 0
assign (resid 15 and name HB) (resid 15 and name HN) 5 1.8 0
assign (resid 14 and name HB#) (resid 15 and name HN) 3.4 1.8 1
assign (resid 14 and name HA) (resid 15 and name HN) 3.4 1.8 0
assign (resid 17 and name HB#) (resid 18 and name HN) 5 3.4 1
assign (resid 18 and name HD#) (resid 18 and name HN) 5 3.4 1
assign (resid 18 and name HG2#) (resid 18 and name HN) 5 3.4 1
assign (resid 17 and name HG#) (resid 18 and name HN) 5 3.4 1
assign (resid 18 and name HG1#) (resid 18 and name HN) 5 3.4 1
assign (resid 18 and name HB) (resid 18 and name HN) 3.4 1.8 0
assign (resid 18 and name HA) (resid 18 and name HN) 3.4 1.8 0
assign (resid 17 and name HA) (resid 18 and name HN) 3.4 1.8 0
assign (resid 11 and name HB#) (resid 2 and name HG#) 5 1.8 3
assign (resid 18 and name HG2#) (resid 3 and name HA) 5 3.4 1
assign (resid 3 and name HA) (resid 3 and name HB#) 3.4 1 0.6
assign (resid 4 and name HG#) (resid 4 and name HD#) 1.8 1 1
assign (resid 5 and name HD#) (resid 5 and name HA) 3.4 1.8 1
assign (resid 5 and name HD#) (resid 5 and name HB#) 3.4 1 3
assign (resid 8 and name HA) (resid 9 and name HD#) 5 1.8 1
assign (resid 8 and name HB#) (resid 9 and name HD#) 5 1.8 3
assign (resid 10 and name HB#) (resid 10 and name HA) 3.4 1 0.6
assign (resid 11 and name HA) (resid 11 and name HB#) 3.4 1 0.6
assign (resid 17 and name HB#) (resid 11 and name HB#) 5 1.8 3
assign (resid 17 and name HG#) (resid 11 and name HB#) 5 1.8 3
assign (resid 12 and name HB) (resid 12 and name HG#) 3.4 1 1
assign (resid 18 and name HB) (resid 12 and name HG#) 5 3.4 1
assign (resid 13 and name HB#) (resid 13 and name HG#) 1.8 1 1
assign (resid 14 and name HA) (resid 14 and name HB#) 3.4 1 0.6
assign (resid 15 and name HA) (resid 14 and name HB#) 5 1.8 1
assign (resid 15 and name HA) (resid 15 and name HD#) 3.4 1 1
assign (resid 16 and name HA) (resid 15 and name HA) 5 3.4 0
assign (resid 16 and name HA) (resid 15 and name HD#) 3.4 1.8 1
assign (resid 17 and name HD#) (resid 15 and name HD#) 5 3.4 3
assign (resid 13 and name HB#) (resid 16 and name HB#) 5 1.8 3
assign (resid 15 and name HD#) (resid 16 and name HD#) 3.4 1.8 3
assign (resid 16 and name HB#) (resid 16 and name HD#) 3.4 1 3
assign (resid 17 and name HD#) (resid 16 and name HB#) 3.4 1.8 3
assign (resid 16 and name HA) (resid 17 and name HD#) 5 1.8 1
assign (resid 17 and name HB#) (resid 17 and name HA) 3.4 1 0.6
assign (resid 17 and name HG#) (resid 17 and name HA) 3.4 1 1
assign (resid 17 and name HG#) (resid 17 and name HB#) 3.4 1 3
assign (resid 18 and name HG1#) (resid 18 and name HB) 1.8 1 1
# Restraints file 2: dihe.txt
assign (resid   18 and name C   ) (resid   1 and name N    )
       (resid   1 and name CA   ) (resid   1 and name C    )    1.0  -160.0   10.0 2
assign (resid   1 and name C   ) (resid   2 and name N    )
       (resid   2 and name CA   ) (resid   2 and name C    )    1.0  -120.0   30.0 2
assign (resid   2 and name C   ) (resid   3 and name N    )
       (resid   3 and name CA   ) (resid   3 and name C    )    1.0  -160.0   30.0 2
assign (resid   6 and name C   ) (resid   7 and name N    )
       (resid   7 and name CA   ) (resid   7 and name C    )    1.0  -160.0   30.0 2
assign (resid   2 and name C   ) (resid   3 and name N    )
       (resid   3 and name CA   ) (resid   3 and name C    )    1.0  -160.0   30.0 2
assign (resid   10 and name C   ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -160.0   30.0 2
assign (resid   14 and name C   ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -160.0   30.0 2
assign (resid   17 and name C   ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -160.0   30.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    CYS   1           HN       CYS   1   1.024  -0.535  -1.221
    2    HA   CYS   1           HA       CYS   1  -1.052   1.506  -1.190
    3    HB2  CYS   1           HB2      CYS   1   0.258   0.521  -3.719
    4    HB3  CYS   1           HB1      CYS   1  -1.399   1.114  -3.719
    5    H    LYS   2           HN       LYS   2  -3.128   0.732  -1.665
    6    HA   LYS   2           HA       LYS   2  -4.873  -0.706  -1.628
    7    HB2  LYS   2           HB2      LYS   2  -2.920  -2.607  -2.939
    8    HB3  LYS   2           HB1      LYS   2  -4.635  -2.936  -2.741
    9    HG2  LYS   2           HG2      LYS   2  -5.142  -0.936  -4.099
   10    HG3  LYS   2           HG1      LYS   2  -3.411  -0.702  -4.351
   11    HD2  LYS   2           HD2      LYS   2  -3.271  -2.896  -5.428
   12    HD3  LYS   2           HD1      LYS   2  -5.001  -3.133  -5.173
   13    HE2  LYS   2           HE2      LYS   2  -5.471  -1.181  -6.572
   14    HE3  LYS   2           HE1      LYS   2  -3.742  -0.948  -6.828
   15    HZ1  LYS   2           HZ1      LYS   2  -3.647  -3.107  -7.909
   16    HZ2  LYS   2           HZ2      LYS   2  -4.759  -2.098  -8.688
   17    HZ3  LYS   2           HZ3      LYS   2  -5.307  -3.328  -7.666
   18    H    ARG   3           HN       ARG   3  -5.796  -1.697   0.005
   19    HA   ARG   3           HA       ARG   3  -4.207  -3.512   1.694
   20    HB2  ARG   3           HB2      ARG   3  -5.932  -1.190   2.532
   21    HB3  ARG   3           HB1      ARG   3  -5.612  -2.522   3.630
   22    HG2  ARG   3           HG2      ARG   3  -3.195  -2.097   3.401
   23    HG3  ARG   3           HG1      ARG   3  -3.563  -0.711   2.371
   24    HD2  ARG   3           HD2      ARG   3  -4.756   0.361   4.185
   25    HD3  ARG   3           HD1      ARG   3  -4.512  -1.050   5.214
   26    HE   ARG   3           HE       ARG   3  -2.044   0.030   4.273
   27   HH11  ARG   3          HH11      ARG   3  -4.526   0.487   6.716
   28   HH12  ARG   3          HH12      ARG   3  -3.456   1.283   7.820
   29   HH21  ARG   3          HH21      ARG   3  -0.661   1.072   5.735
   30   HH22  ARG   3          HH22      ARG   3  -1.268   1.614   7.264
   31    HA   PRO   4           HA       PRO   4  -7.355  -6.658   1.543
   32    HB2  PRO   4           HB2      PRO   4  -8.006  -6.572   4.371
   33    HB3  PRO   4           HB1      PRO   4  -7.153  -7.824   3.461
   34    HG2  PRO   4           HG2      PRO   4  -6.060  -5.745   5.156
   35    HG3  PRO   4           HG1      PRO   4  -5.263  -7.162   4.462
   36    HD2  PRO   4           HD2      PRO   4  -4.739  -4.593   3.689
   37    HD3  PRO   4           HD1      PRO   4  -4.490  -6.011   2.656
   38    HA   PRO   5           HA       PRO   5 -11.322  -4.485   3.192
   39    HB2  PRO   5           HB2      PRO   5 -10.685  -1.873   4.308
   40    HB3  PRO   5           HB1      PRO   5 -11.468  -3.251   5.102
   41    HG2  PRO   5           HG2      PRO   5  -9.008  -2.377   5.789
   42    HG3  PRO   5           HG1      PRO   5  -9.509  -4.076   5.924
   43    HD2  PRO   5           HD2      PRO   5  -7.888  -2.760   3.776
   44    HD3  PRO   5           HD1      PRO   5  -7.617  -4.309   4.598
   45    H    GLY   6           HN       GLY   6 -12.616  -3.540   1.721
   46    HA2  GLY   6           HA2      GLY   6 -11.390  -1.687  -0.199
   47    HA3  GLY   6           HA1      GLY   6 -12.837  -2.642  -0.472
   48    H    PHE   7           HN       PHE   7 -11.941  -0.421   2.160
   49    HA   PHE   7           HA       PHE   7 -14.126   1.374   1.379
   50    HB2  PHE   7           HB2      PHE   7 -13.718   0.187   4.125
   51    HB3  PHE   7           HB1      PHE   7 -14.727   1.598   3.827
   52    HD1  PHE   7           HD1      PHE   7 -14.407  -2.017   3.414
   53    HD2  PHE   7           HD2      PHE   7 -16.851   1.390   2.683
   54    HE1  PHE   7           HE1      PHE   7 -16.308  -3.494   2.904
   55    HE2  PHE   7           HE2      PHE   7 -18.756  -0.080   2.173
   56    HZ   PHE   7           HZ       PHE   7 -18.485  -2.527   2.283
   57    H    SER   8           HN       SER   8 -11.033   0.871   2.798
   58    HA   SER   8           HA       SER   8 -10.603   3.784   2.961
   59    HB2  SER   8           HB2      SER   8 -10.931   2.797   5.231
   60    HB3  SER   8           HB1      SER   8  -9.527   1.769   4.950
   61    HG   SER   8           HG       SER   8  -9.560   4.608   4.991
   62    HA   PRO   9           HA       PRO   9  -7.059   1.356   0.776
   63    HB2  PRO   9           HB2      PRO   9  -7.983   2.215  -1.858
   64    HB3  PRO   9           HB1      PRO   9  -7.682   0.571  -1.270
   65    HG2  PRO   9           HG2      PRO   9 -10.152   1.457  -1.838
   66    HG3  PRO   9           HG1      PRO   9  -9.831   0.280  -0.547
   67    HD2  PRO   9           HD2      PRO   9 -10.279   3.234  -0.329
   68    HD3  PRO   9           HD1      PRO   9 -10.974   1.916   0.641
   69    H    LEU  10           HN       LEU  10  -5.412   2.638   1.224
   70    HA   LEU  10           HA       LEU  10  -5.030   5.101  -0.323
   71    HB2  LEU  10           HB2      LEU  10  -4.822   4.832   2.678
   72    HB3  LEU  10           HB1      LEU  10  -4.045   6.133   1.797
   73    HG   LEU  10           HG       LEU  10  -6.549   6.440   0.876
   74   HD11  LEU  10          HD11      LEU  10  -7.458   4.594   2.183
   75   HD12  LEU  10          HD12      LEU  10  -8.139   6.135   2.705
   76   HD13  LEU  10          HD13      LEU  10  -6.886   5.352   3.669
   77   HD21  LEU  10          HD21      LEU  10  -5.188   8.177   1.885
   78   HD22  LEU  10          HD22      LEU  10  -5.479   7.500   3.487
   79   HD23  LEU  10          HD23      LEU  10  -6.814   8.195   2.569
   80    H    CYS  11           HN       CYS  11  -2.617   5.930   0.344
   81    HA   CYS  11           HA       CYS  11  -0.845   3.583   0.343
   82    HB2  CYS  11           HB2      CYS  11  -0.603   5.995  -1.472
   83    HB3  CYS  11           HB1      CYS  11   0.598   4.718  -1.330
   84    H    THR  12           HN       THR  12   0.192   3.683   2.187
   85    HA   THR  12           HA       THR  12   1.310   6.257   3.085
   86    HB   THR  12           HB       THR  12  -0.233   5.559   4.752
   87    HG1  THR  12           HG1      THR  12   2.040   4.554   6.009
   88   HG21  THR  12          HG21      THR  12  -0.503   3.185   4.158
   89   HG22  THR  12          HG22      THR  12  -0.167   3.358   5.880
   90   HG23  THR  12          HG23      THR  12   1.110   2.837   4.781
   91    H    LYS  13           HN       LYS  13   3.267   5.891   4.569
   92    HA   LYS  13           HA       LYS  13   5.479   5.431   4.728
   93    HB2  LYS  13           HB2      LYS  13   4.563   2.715   3.764
   94    HB3  LYS  13           HB1      LYS  13   6.230   3.057   4.198
   95    HG2  LYS  13           HG2      LYS  13   5.523   3.633   6.466
   96    HG3  LYS  13           HG1      LYS  13   3.847   3.291   6.028
   97    HD2  LYS  13           HD2      LYS  13   4.451   0.969   5.542
   98    HD3  LYS  13           HD1      LYS  13   6.126   1.312   5.979
   99    HE2  LYS  13           HE2      LYS  13   5.416   1.875   8.251
  100    HE3  LYS  13           HE1      LYS  13   3.743   1.534   7.814
  101    HZ1  LYS  13           HZ1      LYS  13   4.366  -0.759   7.374
  102    HZ2  LYS  13           HZ2      LYS  13   4.754  -0.332   8.963
  103    HZ3  LYS  13           HZ3      LYS  13   5.972  -0.429   7.793
  104    H    SER  14           HN       SER  14   6.349   6.825   3.363
  105    HA   SER  14           HA       SER  14   6.396   6.461   0.516
  106    HB2  SER  14           HB2      SER  14   7.834   8.464   2.263
  107    HB3  SER  14           HB1      SER  14   7.751   8.527   0.503
  108    HG   SER  14           HG       SER  14   5.954   9.374   2.312
  109    H    ILE  15           HN       ILE  15   8.389   5.291   3.029
  110    HA   ILE  15           HA       ILE  15  10.330   4.374   1.064
  111    HB   ILE  15           HB       ILE  15  11.355   6.416   1.867
  112   HG12  ILE  15          HG12      ILE  15  13.452   5.338   3.047
  113   HG13  ILE  15          HG11      ILE  15  12.643   3.829   2.637
  114   HG21  ILE  15          HG21      ILE  15  12.054   6.748   4.192
  115   HG22  ILE  15          HG22      ILE  15  11.178   5.290   4.652
  116   HG23  ILE  15          HG23      ILE  15  10.300   6.681   4.019
  117   HD11  ILE  15          HD11      ILE  15  12.641   4.472   0.282
  118   HD12  ILE  15          HD12      ILE  15  14.273   4.445   0.949
  119   HD13  ILE  15          HD13      ILE  15  13.451   5.984   0.696
  120    HA   PRO  16           HA       PRO  16  10.061   2.632   0.231
  121    HB2  PRO  16           HB2      PRO  16   8.768   0.039   0.241
  122    HB3  PRO  16           HB1      PRO  16  10.415   0.432  -0.278
  123    HG2  PRO  16           HG2      PRO  16   9.845  -1.098   1.903
  124    HG3  PRO  16           HG1      PRO  16  11.330  -0.144   1.719
  125    HD2  PRO  16           HD2      PRO  16   8.846   0.519   3.255
  126    HD3  PRO  16           HD1      PRO  16  10.551   0.742   3.713
  127    HA   PRO  17           HA       PRO  17   5.645   3.518  -0.160
  128    HB2  PRO  17           HB2      PRO  17   5.242   2.621  -2.862
  129    HB3  PRO  17           HB1      PRO  17   5.586   4.266  -2.302
  130    HG2  PRO  17           HG2      PRO  17   7.326   2.812  -3.833
  131    HG3  PRO  17           HG1      PRO  17   7.834   4.087  -2.707
  132    HD2  PRO  17           HD2      PRO  17   7.780   1.116  -2.288
  133    HD3  PRO  17           HD1      PRO  17   9.070   2.280  -1.904
  134    H    ILE  18           HN       ILE  18   3.591   2.751   0.049
  135    HA   ILE  18           HA       ILE  18   3.064  -0.079  -0.537
  136    HB   ILE  18           HB       ILE  18   2.411   1.311   2.080
  137   HG12  ILE  18          HG12      ILE  18   4.711   0.546   2.055
  138   HG13  ILE  18          HG11      ILE  18   3.778  -0.491   3.120
  139   HG21  ILE  18          HG21      ILE  18   0.520  -0.078   1.463
  140   HG22  ILE  18          HG22      ILE  18   1.381  -0.796   2.824
  141   HG23  ILE  18          HG23      ILE  18   1.587  -1.460   1.203
  142   HD11  ILE  18          HD11      ILE  18   3.660  -2.133   1.184
  143   HD12  ILE  18          HD12      ILE  18   5.239  -1.907   1.937
  144   HD13  ILE  18          HD13      ILE  18   4.880  -1.131   0.394
  Start of MODEL    2
    1    H    CYS   1           HN       CYS   1   0.736  -0.747  -2.273
    2    HA   CYS   1           HA       CYS   1  -1.047   1.333  -1.309
    3    HB2  CYS   1           HB2      CYS   1   0.829   2.409  -2.744
    4    HB3  CYS   1           HB1      CYS   1   0.018   1.646  -4.108
    5    H    LYS   2           HN       LYS   2  -3.051   1.445  -2.461
    6    HA   LYS   2           HA       LYS   2  -4.916   0.583  -3.399
    7    HB2  LYS   2           HB2      LYS   2  -2.922  -0.777  -5.215
    8    HB3  LYS   2           HB1      LYS   2  -4.660  -0.917  -5.430
    9    HG2  LYS   2           HG2      LYS   2  -4.824   1.502  -5.729
   10    HG3  LYS   2           HG1      LYS   2  -3.081   1.648  -5.499
   11    HD2  LYS   2           HD2      LYS   2  -2.704   0.252  -7.476
   12    HD3  LYS   2           HD1      LYS   2  -4.448   0.101  -7.702
   13    HE2  LYS   2           HE2      LYS   2  -3.026   2.753  -7.661
   14    HE3  LYS   2           HE1      LYS   2  -3.268   1.823  -9.139
   15    HZ1  LYS   2           HZ1      LYS   2  -5.655   1.931  -8.771
   16    HZ2  LYS   2           HZ2      LYS   2  -4.994   3.484  -8.849
   17    HZ3  LYS   2           HZ3      LYS   2  -5.421   2.824  -7.351
   18    H    ARG   3           HN       ARG   3  -5.831  -0.497  -1.781
   19    HA   ARG   3           HA       ARG   3  -5.423  -3.407  -1.688
   20    HB2  ARG   3           HB2      ARG   3  -5.558  -1.510   0.658
   21    HB3  ARG   3           HB1      ARG   3  -5.854  -3.234   0.824
   22    HG2  ARG   3           HG2      ARG   3  -3.321  -2.309  -0.454
   23    HG3  ARG   3           HG1      ARG   3  -3.485  -2.238   1.300
   24    HD2  ARG   3           HD2      ARG   3  -4.017  -4.632   1.342
   25    HD3  ARG   3           HD1      ARG   3  -3.845  -4.699  -0.413
   26    HE   ARG   3           HE       ARG   3  -1.481  -3.660   0.658
   27   HH11  ARG   3          HH11      ARG   3  -3.221  -6.709   0.638
   28   HH12  ARG   3          HH12      ARG   3  -1.785  -7.661   0.823
   29   HH21  ARG   3          HH21      ARG   3   0.385  -4.925   0.899
   30   HH22  ARG   3          HH22      ARG   3   0.253  -6.650   0.971
   31    HA   PRO   4           HA       PRO   4  -9.871  -3.064  -2.625
   32    HB2  PRO   4           HB2      PRO   4  -9.739  -5.978  -2.013
   33    HB3  PRO   4           HB1      PRO   4 -10.443  -5.142  -3.408
   34    HG2  PRO   4           HG2      PRO   4  -8.130  -6.438  -3.601
   35    HG3  PRO   4           HG1      PRO   4  -8.438  -4.931  -4.487
   36    HD2  PRO   4           HD2      PRO   4  -6.735  -5.394  -2.097
   37    HD3  PRO   4           HD1      PRO   4  -6.547  -4.226  -3.418
   38    HA   PRO   5           HA       PRO   5 -11.414  -4.685   1.601
   39    HB2  PRO   5           HB2      PRO   5  -9.321  -5.664   3.314
   40    HB3  PRO   5           HB1      PRO   5 -10.627  -6.590   2.560
   41    HG2  PRO   5           HG2      PRO   5  -7.977  -6.882   1.939
   42    HG3  PRO   5           HG1      PRO   5  -9.318  -7.305   0.856
   43    HD2  PRO   5           HD2      PRO   5  -7.607  -4.850   0.870
   44    HD3  PRO   5           HD1      PRO   5  -8.204  -5.805  -0.502
   45    H    GLY   6           HN       GLY   6 -11.793  -2.565   2.116
   46    HA2  GLY   6           HA2      GLY   6 -10.835  -1.521   4.496
   47    HA3  GLY   6           HA1      GLY   6  -9.879  -0.788   3.214
   48    H    PHE   7           HN       PHE   7 -10.754   0.749   1.931
   49    HA   PHE   7           HA       PHE   7 -13.577   1.358   1.989
   50    HB2  PHE   7           HB2      PHE   7 -11.539   3.255   3.153
   51    HB3  PHE   7           HB1      PHE   7 -13.111   3.797   2.580
   52    HD1  PHE   7           HD1      PHE   7 -15.171   3.034   3.725
   53    HD2  PHE   7           HD2      PHE   7 -11.290   2.159   5.239
   54    HE1  PHE   7           HE1      PHE   7 -16.151   2.504   5.919
   55    HE2  PHE   7           HE2      PHE   7 -12.264   1.626   7.434
   56    HZ   PHE   7           HZ       PHE   7 -14.697   1.798   7.777
   57    H    SER   8           HN       SER   8 -10.471   2.799   1.123
   58    HA   SER   8           HA       SER   8 -11.232   2.854  -1.682
   59    HB2  SER   8           HB2      SER   8 -10.572   5.318  -0.045
   60    HB3  SER   8           HB1      SER   8 -10.391   5.299  -1.799
   61    HG   SER   8           HG       SER   8 -12.802   4.325  -0.960
   62    HA   PRO   9           HA       PRO   9  -6.796   2.106  -2.061
   63    HB2  PRO   9           HB2      PRO   9  -6.324   3.507  -4.535
   64    HB3  PRO   9           HB1      PRO   9  -6.660   1.783  -4.311
   65    HG2  PRO   9           HG2      PRO   9  -8.355   3.486  -5.591
   66    HG3  PRO   9           HG1      PRO   9  -8.877   2.010  -4.754
   67    HD2  PRO   9           HD2      PRO   9  -8.900   4.844  -3.775
   68    HD3  PRO   9           HD1      PRO   9 -10.179   3.610  -3.673
   69    H    LEU  10           HN       LEU  10  -5.590   3.104  -0.537
   70    HA   LEU  10           HA       LEU  10  -4.295   5.635  -1.251
   71    HB2  LEU  10           HB2      LEU  10  -5.659   5.093   1.390
   72    HB3  LEU  10           HB1      LEU  10  -4.530   6.408   1.130
   73    HG   LEU  10           HG       LEU  10  -6.278   6.935  -0.850
   74   HD11  LEU  10          HD11      LEU  10  -8.554   6.605  -0.028
   75   HD12  LEU  10          HD12      LEU  10  -7.930   5.687   1.343
   76   HD13  LEU  10          HD13      LEU  10  -7.740   5.064  -0.296
   77   HD21  LEU  10          HD21      LEU  10  -7.276   8.586   0.665
   78   HD22  LEU  10          HD22      LEU  10  -5.522   8.510   0.836
   79   HD23  LEU  10          HD23      LEU  10  -6.559   7.746   2.040
   80    H    CYS  11           HN       CYS  11  -2.257   5.965  -0.299
   81    HA   CYS  11           HA       CYS  11  -1.126   3.695   1.185
   82    HB2  CYS  11           HB2      CYS  11   1.030   4.546  -0.291
   83    HB3  CYS  11           HB1      CYS  11   0.051   3.141  -0.670
   84    H    THR  12           HN       THR  12   1.138   4.300   2.062
   85    HA   THR  12           HA       THR  12   0.855   6.575   3.747
   86    HB   THR  12           HB       THR  12   3.165   5.881   4.512
   87    HG1  THR  12           HG1      THR  12   2.809   3.475   3.122
   88   HG21  THR  12          HG21      THR  12   2.376   3.822   5.625
   89   HG22  THR  12          HG22      THR  12   1.015   3.748   4.508
   90   HG23  THR  12          HG23      THR  12   1.138   5.079   5.658
   91    H    LYS  13           HN       LYS  13   2.696   8.144   4.060
   92    HA   LYS  13           HA       LYS  13   3.589   9.141   1.446
   93    HB2  LYS  13           HB2      LYS  13   2.998  10.552   4.045
   94    HB3  LYS  13           HB1      LYS  13   3.887  11.333   2.745
   95    HG2  LYS  13           HG2      LYS  13   1.980  11.020   1.248
   96    HG3  LYS  13           HG1      LYS  13   1.088  10.233   2.553
   97    HD2  LYS  13           HD2      LYS  13   1.216  12.290   3.876
   98    HD3  LYS  13           HD1      LYS  13   2.108  13.074   2.572
   99    HE2  LYS  13           HE2      LYS  13   0.192  12.771   1.081
  100    HE3  LYS  13           HE1      LYS  13  -0.699  11.987   2.384
  101    HZ1  LYS  13           HZ1      LYS  13   0.274  14.794   2.400
  102    HZ2  LYS  13           HZ2      LYS  13  -0.579  14.041   3.651
  103    HZ3  LYS  13           HZ3      LYS  13  -1.328  14.305   2.157
  104    H    SER  14           HN       SER  14   5.220   7.306   1.899
  105    HA   SER  14           HA       SER  14   7.615   8.523   3.082
  106    HB2  SER  14           HB2      SER  14   6.691   5.664   3.348
  107    HB3  SER  14           HB1      SER  14   8.339   6.177   3.713
  108    HG   SER  14           HG       SER  14   5.935   6.971   4.981
  109    H    ILE  15           HN       ILE  15   6.438   6.063   0.859
  110    HA   ILE  15           HA       ILE  15   8.566   6.767  -1.026
  111    HB   ILE  15           HB       ILE  15   7.870   3.857  -0.911
  112   HG12  ILE  15          HG12      ILE  15  10.156   3.770   0.487
  113   HG13  ILE  15          HG11      ILE  15   9.521   5.289   1.114
  114   HG21  ILE  15          HG21      ILE  15   9.176   4.699  -2.770
  115   HG22  ILE  15          HG22      ILE  15  10.154   3.620  -1.775
  116   HG23  ILE  15          HG23      ILE  15  10.372   5.366  -1.657
  117   HD11  ILE  15          HD11      ILE  15   7.503   4.176   1.833
  118   HD12  ILE  15          HD12      ILE  15   8.919   3.373   2.506
  119   HD13  ILE  15          HD13      ILE  15   8.067   2.661   1.137
  120    HA   PRO  16           HA       PRO  16   5.811   4.814   0.459
  121    HB2  PRO  16           HB2      PRO  16   3.356   3.593  -0.008
  122    HB3  PRO  16           HB1      PRO  16   3.562   5.277   0.500
  123    HG2  PRO  16           HG2      PRO  16   2.569   4.316  -1.997
  124    HG3  PRO  16           HG1      PRO  16   2.807   5.996  -1.486
  125    HD2  PRO  16           HD2      PRO  16   4.539   4.280  -3.163
  126    HD3  PRO  16           HD1      PRO  16   4.398   6.050  -3.121
  127    HA   PRO  17           HA       PRO  17   6.791   0.464  -0.316
  128    HB2  PRO  17           HB2      PRO  17   5.620  -0.726   1.997
  129    HB3  PRO  17           HB1      PRO  17   7.281  -0.135   1.821
  130    HG2  PRO  17           HG2      PRO  17   5.406   0.980   3.520
  131    HG3  PRO  17           HG1      PRO  17   6.836   1.826   2.902
  132    HD2  PRO  17           HD2      PRO  17   4.010   1.921   1.921
  133    HD3  PRO  17           HD1      PRO  17   5.178   3.247   2.130
  134    H    ILE  18           HN       ILE  18   3.456   0.786   0.733
  135    HA   ILE  18           HA       ILE  18   2.611  -1.205  -1.245
  136    HB   ILE  18           HB       ILE  18   1.717  -1.161   1.652
  137   HG12  ILE  18          HG12      ILE  18   3.813  -2.358   1.392
  138   HG13  ILE  18          HG11      ILE  18   2.529  -3.509   1.714
  139   HG21  ILE  18          HG21      ILE  18   0.599  -2.850  -0.589
  140   HG22  ILE  18          HG22      ILE  18  -0.237  -1.560   0.272
  141   HG23  ILE  18          HG23      ILE  18   0.215  -3.037   1.122
  142   HD11  ILE  18          HD11      ILE  18   3.978  -3.013  -0.875
  143   HD12  ILE  18          HD12      ILE  18   2.476  -3.931  -0.792
  144   HD13  ILE  18          HD13      ILE  18   3.903  -4.496   0.076
  Start of MODEL    3
    1    H    CYS   1           HN       CYS   1   0.808  -0.404  -1.112
    2    HA   CYS   1           HA       CYS   1  -1.081   1.787  -0.775
    3    HB2  CYS   1           HB2      CYS   1  -0.388   0.716  -3.519
    4    HB3  CYS   1           HB1      CYS   1  -1.715   1.817  -3.166
    5    H    LYS   2           HN       LYS   2  -3.221   1.200  -0.886
    6    HA   LYS   2           HA       LYS   2  -5.043  -0.098  -0.563
    7    HB2  LYS   2           HB2      LYS   2  -3.685  -1.831  -2.636
    8    HB3  LYS   2           HB1      LYS   2  -5.329  -2.085  -2.069
    9    HG2  LYS   2           HG2      LYS   2  -5.925   0.167  -2.882
   10    HG3  LYS   2           HG1      LYS   2  -4.288   0.345  -3.513
   11    HD2  LYS   2           HD2      LYS   2  -4.633  -1.585  -4.971
   12    HD3  LYS   2           HD1      LYS   2  -6.264  -1.786  -4.329
   13    HE2  LYS   2           HE2      LYS   2  -6.876   0.417  -5.189
   14    HE3  LYS   2           HE1      LYS   2  -5.243   0.629  -5.818
   15    HZ1  LYS   2           HZ1      LYS   2  -6.770  -0.082  -7.545
   16    HZ2  LYS   2           HZ2      LYS   2  -7.162  -1.472  -6.666
   17    HZ3  LYS   2           HZ3      LYS   2  -5.596  -1.269  -7.271
   18    H    ARG   3           HN       ARG   3  -5.239  -0.861   1.410
   19    HA   ARG   3           HA       ARG   3  -4.068  -3.472   2.029
   20    HB2  ARG   3           HB2      ARG   3  -3.613  -0.944   3.523
   21    HB3  ARG   3           HB1      ARG   3  -3.852  -2.404   4.472
   22    HG2  ARG   3           HG2      ARG   3  -2.011  -3.476   3.260
   23    HG3  ARG   3           HG1      ARG   3  -1.768  -1.992   2.338
   24    HD2  ARG   3           HD2      ARG   3  -1.269  -0.783   4.397
   25    HD3  ARG   3           HD1      ARG   3  -1.545  -2.249   5.336
   26    HE   ARG   3           HE       ARG   3   0.411  -2.810   3.428
   27   HH11  ARG   3          HH11      ARG   3   0.068  -0.798   6.285
   28   HH12  ARG   3          HH12      ARG   3   1.758  -0.848   6.664
   29   HH21  ARG   3          HH21      ARG   3   2.618  -2.862   3.942
   30   HH22  ARG   3          HH22      ARG   3   3.199  -2.015   5.337
   31    HA   PRO   4           HA       PRO   4  -7.995  -2.983   4.755
   32    HB2  PRO   4           HB2      PRO   4  -9.409  -0.534   4.157
   33    HB3  PRO   4           HB1      PRO   4  -8.667  -1.025   5.688
   34    HG2  PRO   4           HG2      PRO   4  -7.759   1.048   4.184
   35    HG3  PRO   4           HG1      PRO   4  -6.732   0.090   5.271
   36    HD2  PRO   4           HD2      PRO   4  -7.051  -0.131   2.300
   37    HD3  PRO   4           HD1      PRO   4  -5.573  -0.185   3.281
   38    HA   PRO   5           HA       PRO   5 -10.392  -4.322   1.091
   39    HB2  PRO   5           HB2      PRO   5 -11.805  -6.099   2.950
   40    HB3  PRO   5           HB1      PRO   5 -10.788  -6.520   1.561
   41    HG2  PRO   5           HG2      PRO   5 -10.024  -6.998   4.086
   42    HG3  PRO   5           HG1      PRO   5  -8.871  -6.585   2.798
   43    HD2  PRO   5           HD2      PRO   5  -9.986  -4.840   4.959
   44    HD3  PRO   5           HD1      PRO   5  -8.328  -4.946   4.327
   45    H    GLY   6           HN       GLY   6 -12.122  -3.310   0.325
   46    HA2  GLY   6           HA2      GLY   6 -14.381  -2.667   0.240
   47    HA3  GLY   6           HA1      GLY   6 -14.504  -2.937   1.970
   48    H    PHE   7           HN       PHE   7 -11.895  -1.039   0.666
   49    HA   PHE   7           HA       PHE   7 -13.233   1.468   1.416
   50    HB2  PHE   7           HB2      PHE   7 -10.534   0.497   2.377
   51    HB3  PHE   7           HB1      PHE   7 -11.015   2.190   2.449
   52    HD1  PHE   7           HD1      PHE   7 -12.627   2.955   4.053
   53    HD2  PHE   7           HD2      PHE   7 -11.620  -1.172   3.790
   54    HE1  PHE   7           HE1      PHE   7 -13.726   2.553   6.216
   55    HE2  PHE   7           HE2      PHE   7 -12.718  -1.581   5.952
   56    HZ   PHE   7           HZ       PHE   7 -13.774   0.282   7.168
   57    H    SER   8           HN       SER   8 -11.678   3.393   0.759
   58    HA   SER   8           HA       SER   8 -11.286   3.162  -2.064
   59    HB2  SER   8           HB2      SER   8 -10.914   5.404  -0.068
   60    HB3  SER   8           HB1      SER   8 -10.503   5.606  -1.772
   61    HG   SER   8           HG       SER   8 -12.540   5.868  -2.162
   62    HA   PRO   9           HA       PRO   9  -6.834   2.466  -1.988
   63    HB2  PRO   9           HB2      PRO   9  -6.088   4.237  -4.145
   64    HB3  PRO   9           HB1      PRO   9  -6.370   2.490  -4.214
   65    HG2  PRO   9           HG2      PRO   9  -7.959   4.296  -5.466
   66    HG3  PRO   9           HG1      PRO   9  -8.536   2.722  -4.882
   67    HD2  PRO   9           HD2      PRO   9  -8.753   5.414  -3.573
   68    HD3  PRO   9           HD1      PRO   9 -10.006   4.168  -3.795
   69    H    LEU  10           HN       LEU  10  -5.315   3.079  -0.633
   70    HA   LEU  10           HA       LEU  10  -4.467   5.889  -0.515
   71    HB2  LEU  10           HB2      LEU  10  -5.151   4.124   1.839
   72    HB3  LEU  10           HB1      LEU  10  -4.230   5.607   1.985
   73    HG   LEU  10           HG       LEU  10  -6.365   6.615   0.749
   74   HD11  LEU  10          HD11      LEU  10  -8.414   5.565   1.572
   75   HD12  LEU  10          HD12      LEU  10  -7.464   4.246   2.258
   76   HD13  LEU  10          HD13      LEU  10  -7.513   4.481   0.510
   77   HD21  LEU  10          HD21      LEU  10  -5.486   7.369   2.882
   78   HD22  LEU  10          HD22      LEU  10  -6.206   5.979   3.691
   79   HD23  LEU  10          HD23      LEU  10  -7.240   7.208   2.962
   80    H    CYS  11           HN       CYS  11  -2.291   6.201   0.213
   81    HA   CYS  11           HA       CYS  11  -0.650   3.764   0.269
   82    HB2  CYS  11           HB2      CYS  11   0.054   6.290  -1.238
   83    HB3  CYS  11           HB1      CYS  11   1.054   4.846  -1.112
   84    H    THR  12           HN       THR  12   0.484   3.606   2.025
   85    HA   THR  12           HA       THR  12   1.304   6.041   3.485
   86    HB   THR  12           HB       THR  12   1.154   3.380   4.867
   87    HG1  THR  12           HG1      THR  12  -1.154   4.983   4.879
   88   HG21  THR  12          HG21      THR  12   2.038   5.344   6.064
   89   HG22  THR  12          HG22      THR  12   0.525   4.798   6.788
   90   HG23  THR  12          HG23      THR  12   0.541   6.220   5.745
   91    H    LYS  13           HN       LYS  13   3.298   5.742   4.812
   92    HA   LYS  13           HA       LYS  13   5.527   5.419   4.980
   93    HB2  LYS  13           HB2      LYS  13   4.827   2.719   3.806
   94    HB3  LYS  13           HB1      LYS  13   6.454   3.149   4.307
   95    HG2  LYS  13           HG2      LYS  13   4.210   3.443   6.251
   96    HG3  LYS  13           HG1      LYS  13   4.868   1.839   5.918
   97    HD2  LYS  13           HD2      LYS  13   7.106   2.636   6.530
   98    HD3  LYS  13           HD1      LYS  13   6.444   4.238   6.863
   99    HE2  LYS  13           HE2      LYS  13   6.640   3.174   8.960
  100    HE3  LYS  13           HE1      LYS  13   4.926   3.116   8.548
  101    HZ1  LYS  13           HZ1      LYS  13   6.862   0.887   8.206
  102    HZ2  LYS  13           HZ2      LYS  13   5.218   0.829   7.816
  103    HZ3  LYS  13           HZ3      LYS  13   5.699   1.005   9.428
  104    H    SER  14           HN       SER  14   6.294   6.977   3.723
  105    HA   SER  14           HA       SER  14   6.287   7.140   0.947
  106    HB2  SER  14           HB2      SER  14   8.152   8.818   1.256
  107    HB3  SER  14           HB1      SER  14   6.740   9.108   2.271
  108    HG   SER  14           HG       SER  14   8.868   9.215   3.321
  109    H    ILE  15           HN       ILE  15   8.505   5.438   3.026
  110    HA   ILE  15           HA       ILE  15   9.712   4.183   0.713
  111    HB   ILE  15           HB       ILE  15  11.178   6.115   1.043
  112   HG12  ILE  15          HG12      ILE  15  13.369   4.743   1.603
  113   HG13  ILE  15          HG11      ILE  15  12.268   3.373   1.518
  114   HG21  ILE  15          HG21      ILE  15  11.714   5.055   3.811
  115   HG22  ILE  15          HG22      ILE  15  10.884   6.555   3.396
  116   HG23  ILE  15          HG23      ILE  15  12.598   6.366   3.026
  117   HD11  ILE  15          HD11      ILE  15  11.652   4.011  -0.756
  118   HD12  ILE  15          HD12      ILE  15  13.386   3.740  -0.603
  119   HD13  ILE  15          HD13      ILE  15  12.754   5.385  -0.668
  120    HA   PRO  16           HA       PRO  16  10.023   2.320   0.017
  121    HB2  PRO  16           HB2      PRO  16   8.604  -0.221   0.315
  122    HB3  PRO  16           HB1      PRO  16  10.232   0.066  -0.323
  123    HG2  PRO  16           HG2      PRO  16   9.790  -1.218   2.007
  124    HG3  PRO  16           HG1      PRO  16  11.235  -0.230   1.705
  125    HD2  PRO  16           HD2      PRO  16   8.744   0.492   3.209
  126    HD3  PRO  16           HD1      PRO  16  10.444   0.791   3.634
  127    HA   PRO  17           HA       PRO  17   5.674   3.339  -0.669
  128    HB2  PRO  17           HB2      PRO  17   5.345   2.143  -3.271
  129    HB3  PRO  17           HB1      PRO  17   5.705   3.834  -2.885
  130    HG2  PRO  17           HG2      PRO  17   7.474   2.201  -4.164
  131    HG3  PRO  17           HG1      PRO  17   7.969   3.563  -3.135
  132    HD2  PRO  17           HD2      PRO  17   7.784   0.645  -2.443
  133    HD3  PRO  17           HD1      PRO  17   9.105   1.794  -2.118
  134    H    ILE  18           HN       ILE  18   3.744   2.635  -0.064
  135    HA   ILE  18           HA       ILE  18   2.936  -0.134  -0.628
  136    HB   ILE  18           HB       ILE  18   2.714   1.244   2.068
  137   HG12  ILE  18          HG12      ILE  18   4.923   0.301   1.753
  138   HG13  ILE  18          HG11      ILE  18   4.044  -0.690   2.905
  139   HG21  ILE  18          HG21      ILE  18   1.571  -1.432   1.256
  140   HG22  ILE  18          HG22      ILE  18   0.658   0.021   1.662
  141   HG23  ILE  18          HG23      ILE  18   1.615  -0.792   2.901
  142   HD11  ILE  18          HD11      ILE  18   5.227  -2.188   1.532
  143   HD12  ILE  18          HD12      ILE  18   4.764  -1.337   0.059
  144   HD13  ILE  18          HD13      ILE  18   3.559  -2.257   0.959
  Start of MODEL    4
    1    H    CYS   1           HN       CYS   1   1.413  -0.460  -0.354
    2    HA   CYS   1           HA       CYS   1  -0.127   1.929  -0.965
    3    HB2  CYS   1           HB2      CYS   1   1.659   2.130  -2.592
    4    HB3  CYS   1           HB1      CYS   1   1.494   0.443  -3.052
    5    H    LYS   2           HN       LYS   2  -2.191   1.461  -1.604
    6    HA   LYS   2           HA       LYS   2  -4.124   0.326  -1.939
    7    HB2  LYS   2           HB2      LYS   2  -2.274  -1.831  -2.968
    8    HB3  LYS   2           HB1      LYS   2  -4.024  -1.997  -2.959
    9    HG2  LYS   2           HG2      LYS   2  -4.219  -0.035  -4.405
   10    HG3  LYS   2           HG1      LYS   2  -2.462   0.128  -4.416
   11    HD2  LYS   2           HD2      LYS   2  -2.268  -2.082  -5.455
   12    HD3  LYS   2           HD1      LYS   2  -4.024  -2.244  -5.440
   13    HE2  LYS   2           HE2      LYS   2  -4.214  -0.289  -6.899
   14    HE3  LYS   2           HE1      LYS   2  -2.458  -0.127  -6.912
   15    HZ1  LYS   2           HZ1      LYS   2  -2.304  -2.299  -7.963
   16    HZ2  LYS   2           HZ2      LYS   2  -3.255  -1.253  -8.891
   17    HZ3  LYS   2           HZ3      LYS   2  -3.989  -2.452  -7.951
   18    H    ARG   3           HN       ARG   3  -5.537  -0.821  -0.711
   19    HA   ARG   3           HA       ARG   3  -4.420  -2.534   1.407
   20    HB2  ARG   3           HB2      ARG   3  -6.387  -0.265   1.676
   21    HB3  ARG   3           HB1      ARG   3  -6.277  -1.537   2.883
   22    HG2  ARG   3           HG2      ARG   3  -3.931  -0.970   3.271
   23    HG3  ARG   3           HG1      ARG   3  -4.040   0.305   2.056
   24    HD2  ARG   3           HD2      ARG   3  -5.759   1.426   3.392
   25    HD3  ARG   3           HD1      ARG   3  -5.646   0.151   4.605
   26    HE   ARG   3           HE       ARG   3  -3.094   1.229   4.226
   27   HH11  ARG   3          HH11      ARG   3  -6.192   2.234   5.543
   28   HH12  ARG   3          HH12      ARG   3  -5.484   3.359   6.653
   29   HH21  ARG   3          HH21      ARG   3  -2.191   2.708   5.687
   30   HH22  ARG   3          HH22      ARG   3  -3.220   3.626   6.735
   31    HA   PRO   4           HA       PRO   4  -7.542  -5.597   0.444
   32    HB2  PRO   4           HB2      PRO   4  -8.374  -5.612   3.309
   33    HB3  PRO   4           HB1      PRO   4  -7.838  -6.958   2.286
   34    HG2  PRO   4           HG2      PRO   4  -6.236  -5.994   4.135
   35    HG3  PRO   4           HG1      PRO   4  -5.602  -6.445   2.538
   36    HD2  PRO   4           HD2      PRO   4  -6.198  -3.727   3.631
   37    HD3  PRO   4           HD1      PRO   4  -4.829  -4.271   2.643
   38    HA   PRO   5           HA       PRO   5 -11.625  -3.831  -0.111
   39    HB2  PRO   5           HB2      PRO   5 -12.859  -6.271   1.081
   40    HB3  PRO   5           HB1      PRO   5 -13.155  -5.511  -0.495
   41    HG2  PRO   5           HG2      PRO   5 -11.779  -7.750  -0.347
   42    HG3  PRO   5           HG1      PRO   5 -11.287  -6.457  -1.462
   43    HD2  PRO   5           HD2      PRO   5 -10.104  -7.225   1.174
   44    HD3  PRO   5           HD1      PRO   5  -9.297  -6.719  -0.323
   45    H    GLY   6           HN       GLY   6 -13.263  -2.735   0.938
   46    HA2  GLY   6           HA2      GLY   6 -14.674  -2.619   3.008
   47    HA3  GLY   6           HA1      GLY   6 -13.169  -2.808   3.893
   48    H    PHE   7           HN       PHE   7 -11.675  -1.084   2.054
   49    HA   PHE   7           HA       PHE   7 -12.866   1.546   2.637
   50    HB2  PHE   7           HB2      PHE   7 -10.032   0.636   3.176
   51    HB3  PHE   7           HB1      PHE   7 -10.496   2.332   3.127
   52    HD1  PHE   7           HD1      PHE   7 -11.858   3.300   4.880
   53    HD2  PHE   7           HD2      PHE   7 -10.717  -0.798   4.995
   54    HE1  PHE   7           HE1      PHE   7 -12.509   3.190   7.251
   55    HE2  PHE   7           HE2      PHE   7 -11.367  -0.916   7.366
   56    HZ   PHE   7           HZ       PHE   7 -12.264   1.078   8.496
   57    H    SER   8           HN       SER   8 -11.629   3.329   1.399
   58    HA   SER   8           HA       SER   8 -11.672   2.646  -1.376
   59    HB2  SER   8           HB2      SER   8 -11.303   5.070  -1.727
   60    HB3  SER   8           HB1      SER   8 -12.564   4.790  -0.529
   61    HG   SER   8           HG       SER   8 -10.221   4.912   0.727
   62    HA   PRO   9           HA       PRO   9  -7.223   2.164  -1.929
   63    HB2  PRO   9           HB2      PRO   9  -6.936   3.620  -4.415
   64    HB3  PRO   9           HB1      PRO   9  -7.084   1.870  -4.181
   65    HG2  PRO   9           HG2      PRO   9  -8.981   3.353  -5.418
   66    HG3  PRO   9           HG1      PRO   9  -9.342   1.873  -4.506
   67    HD2  PRO   9           HD2      PRO   9  -9.551   4.731  -3.619
   68    HD3  PRO   9           HD1      PRO   9 -10.735   3.413  -3.442
   69    H    LEU  10           HN       LEU  10  -5.668   3.076  -0.790
   70    HA   LEU  10           HA       LEU  10  -4.878   5.850  -1.328
   71    HB2  LEU  10           HB2      LEU  10  -5.377   4.670   1.409
   72    HB3  LEU  10           HB1      LEU  10  -4.514   6.172   1.138
   73    HG   LEU  10           HG       LEU  10  -6.777   6.767  -0.166
   74   HD11  LEU  10          HD11      LEU  10  -7.643   4.860   2.004
   75   HD12  LEU  10          HD12      LEU  10  -7.827   4.610   0.269
   76   HD13  LEU  10          HD13      LEU  10  -8.704   5.913   1.068
   77   HD21  LEU  10          HD21      LEU  10  -6.368   6.943   2.817
   78   HD22  LEU  10          HD22      LEU  10  -7.515   7.902   1.882
   79   HD23  LEU  10          HD23      LEU  10  -5.782   8.087   1.611
   80    H    CYS  11           HN       CYS  11  -2.745   6.084  -1.562
   81    HA   CYS  11           HA       CYS  11  -0.961   4.019  -0.459
   82    HB2  CYS  11           HB2      CYS  11  -0.783   5.225  -3.229
   83    HB3  CYS  11           HB1      CYS  11   0.399   4.129  -2.517
   84    H    THR  12           HN       THR  12   1.145   4.675   0.054
   85    HA   THR  12           HA       THR  12   1.381   7.467   0.751
   86    HB   THR  12           HB       THR  12   3.471   6.606   1.934
   87    HG1  THR  12           HG1      THR  12   2.390   4.051   1.890
   88   HG21  THR  12          HG21      THR  12   0.791   5.441   2.733
   89   HG22  THR  12          HG22      THR  12   1.378   7.051   3.152
   90   HG23  THR  12          HG23      THR  12   2.185   5.624   3.798
   91    H    LYS  13           HN       LYS  13   3.911   5.230  -0.252
   92    HA   LYS  13           HA       LYS  13   4.636   6.831  -2.573
   93    HB2  LYS  13           HB2      LYS  13   6.395   6.544  -0.138
   94    HB3  LYS  13           HB1      LYS  13   7.082   6.839  -1.728
   95    HG2  LYS  13           HG2      LYS  13   5.815   8.917  -1.898
   96    HG3  LYS  13           HG1      LYS  13   5.107   8.618  -0.311
   97    HD2  LYS  13           HD2      LYS  13   7.340   8.688   0.694
   98    HD3  LYS  13           HD1      LYS  13   8.043   8.994  -0.896
   99    HE2  LYS  13           HE2      LYS  13   6.774  11.080  -1.054
  100    HE3  LYS  13           HE1      LYS  13   6.067  10.773   0.531
  101    HZ1  LYS  13           HZ1      LYS  13   7.918  12.315   0.675
  102    HZ2  LYS  13           HZ2      LYS  13   8.958  11.177  -0.024
  103    HZ3  LYS  13           HZ3      LYS  13   8.280  10.881   1.497
  104    H    SER  14           HN       SER  14   3.718   4.052  -1.869
  105    HA   SER  14           HA       SER  14   3.945   1.942  -2.632
  106    HB2  SER  14           HB2      SER  14   6.195   3.020  -4.342
  107    HB3  SER  14           HB1      SER  14   5.475   1.418  -4.506
  108    HG   SER  14           HG       SER  14   3.908   3.762  -4.632
  109    H    ILE  15           HN       ILE  15   7.318   2.987  -2.507
  110    HA   ILE  15           HA       ILE  15   7.817   1.321  -0.185
  111    HB   ILE  15           HB       ILE  15   9.851   0.273  -1.174
  112   HG12  ILE  15          HG12      ILE  15   9.505  -0.002  -3.816
  113   HG13  ILE  15          HG11      ILE  15   8.850   1.624  -3.627
  114   HG21  ILE  15          HG21      ILE  15   7.852  -1.029  -0.853
  115   HG22  ILE  15          HG22      ILE  15   8.663  -1.527  -2.339
  116   HG23  ILE  15          HG23      ILE  15   7.226  -0.507  -2.417
  117   HD11  ILE  15          HD11      ILE  15  11.210   1.682  -4.179
  118   HD12  ILE  15          HD12      ILE  15  11.575   0.713  -2.753
  119   HD13  ILE  15          HD13      ILE  15  10.918   2.338  -2.569
  120    HA   PRO  16           HA       PRO  16  10.137   0.728   1.073
  121    HB2  PRO  16           HB2      PRO  16  10.193   2.609   3.383
  122    HB3  PRO  16           HB1      PRO  16  11.256   1.239   3.011
  123    HG2  PRO  16           HG2      PRO  16  12.124   3.696   2.676
  124    HG3  PRO  16           HG1      PRO  16  12.500   2.439   1.478
  125    HD2  PRO  16           HD2      PRO  16  10.458   4.620   1.337
  126    HD3  PRO  16           HD1      PRO  16  11.562   4.029   0.080
  127    HA   PRO  17           HA       PRO  17   6.167   1.927   3.868
  128    HB2  PRO  17           HB2      PRO  17   4.470   3.653   2.502
  129    HB3  PRO  17           HB1      PRO  17   5.556   4.128   3.821
  130    HG2  PRO  17           HG2      PRO  17   5.981   4.345   0.866
  131    HG3  PRO  17           HG1      PRO  17   6.346   5.524   2.144
  132    HD2  PRO  17           HD2      PRO  17   8.277   4.050   1.103
  133    HD3  PRO  17           HD1      PRO  17   8.235   4.371   2.850
  134    H    ILE  18           HN       ILE  18   3.523   2.254   2.503
  135    HA   ILE  18           HA       ILE  18   3.590  -0.101   0.743
  136    HB   ILE  18           HB       ILE  18   2.839  -0.394   3.259
  137   HG12  ILE  18          HG12      ILE  18   1.056  -2.122   2.280
  138   HG13  ILE  18          HG11      ILE  18   1.836  -1.676   0.767
  139   HG21  ILE  18          HG21      ILE  18   0.409  -0.329   3.556
  140   HG22  ILE  18          HG22      ILE  18   0.245   0.452   1.985
  141   HG23  ILE  18          HG23      ILE  18   1.090   1.277   3.294
  142   HD11  ILE  18          HD11      ILE  18   3.995  -2.350   1.683
  143   HD12  ILE  18          HD12      ILE  18   2.831  -3.674   1.716
  144   HD13  ILE  18          HD13      ILE  18   3.212  -2.797   3.198
  Start of MODEL    5
    1    H    CYS   1           HN       CYS   1   1.009  -0.006  -0.064
    2    HA   CYS   1           HA       CYS   1  -0.609   2.230  -1.002
    3    HB2  CYS   1           HB2      CYS   1   1.415   2.373  -2.401
    4    HB3  CYS   1           HB1      CYS   1   1.229   0.688  -2.864
    5    H    LYS   2           HN       LYS   2  -1.090  -0.241   0.427
    6    HA   LYS   2           HA       LYS   2  -3.080  -1.440  -1.358
    7    HB2  LYS   2           HB2      LYS   2  -1.028  -2.989   0.231
    8    HB3  LYS   2           HB1      LYS   2  -2.501  -3.714  -0.395
    9    HG2  LYS   2           HG2      LYS   2  -1.803  -3.120  -2.677
   10    HG3  LYS   2           HG1      LYS   2  -0.309  -2.445  -2.026
   11    HD2  LYS   2           HD2      LYS   2   0.285  -4.647  -1.121
   12    HD3  LYS   2           HD1      LYS   2  -1.206  -5.319  -1.781
   13    HE2  LYS   2           HE2      LYS   2   0.492  -5.888  -3.317
   14    HE3  LYS   2           HE1      LYS   2  -0.393  -4.550  -4.050
   15    HZ1  LYS   2           HZ1      LYS   2   1.994  -4.263  -4.281
   16    HZ2  LYS   2           HZ2      LYS   2   2.192  -4.325  -2.603
   17    HZ3  LYS   2           HZ3      LYS   2   1.346  -3.042  -3.306
   18    H    ARG   3           HN       ARG   3  -4.949  -2.085  -0.370
   19    HA   ARG   3           HA       ARG   3  -5.124  -1.951   2.546
   20    HB2  ARG   3           HB2      ARG   3  -7.355  -0.650   2.230
   21    HB3  ARG   3           HB1      ARG   3  -5.852   0.247   2.106
   22    HG2  ARG   3           HG2      ARG   3  -7.004   1.088   0.316
   23    HG3  ARG   3           HG1      ARG   3  -6.139  -0.236  -0.464
   24    HD2  ARG   3           HD2      ARG   3  -8.144  -1.658  -0.178
   25    HD3  ARG   3           HD1      ARG   3  -8.997  -0.275   0.504
   26    HE   ARG   3           HE       ARG   3  -8.220   0.704  -1.851
   27   HH11  ARG   3          HH11      ARG   3  -9.757  -2.363  -1.096
   28   HH12  ARG   3          HH12      ARG   3 -10.552  -2.474  -2.631
   29   HH21  ARG   3          HH21      ARG   3  -9.271   0.539  -3.853
   30   HH22  ARG   3          HH22      ARG   3 -10.276  -0.832  -4.191
   31    HA   PRO   4           HA       PRO   4  -7.861  -5.450   2.024
   32    HB2  PRO   4           HB2      PRO   4  -9.573  -4.689   4.266
   33    HB3  PRO   4           HB1      PRO   4  -8.371  -5.987   4.184
   34    HG2  PRO   4           HG2      PRO   4  -8.045  -3.809   5.731
   35    HG3  PRO   4           HG1      PRO   4  -6.687  -4.675   4.985
   36    HD2  PRO   4           HD2      PRO   4  -8.021  -2.146   4.096
   37    HD3  PRO   4           HD1      PRO   4  -6.292  -2.542   4.176
   38    HA   PRO   5           HA       PRO   5 -11.651  -4.353  -0.110
   39    HB2  PRO   5           HB2      PRO   5 -13.167  -6.533   1.188
   40    HB3  PRO   5           HB1      PRO   5 -12.766  -6.306  -0.525
   41    HG2  PRO   5           HG2      PRO   5 -11.607  -8.215   0.913
   42    HG3  PRO   5           HG1      PRO   5 -10.714  -7.314  -0.329
   43    HD2  PRO   5           HD2      PRO   5 -10.666  -6.969   2.644
   44    HD3  PRO   5           HD1      PRO   5  -9.320  -6.962   1.486
   45    H    GLY   6           HN       GLY   6 -13.193  -2.879   0.195
   46    HA2  GLY   6           HA2      GLY   6 -15.251  -2.195   1.310
   47    HA3  GLY   6           HA1      GLY   6 -14.540  -2.736   2.821
   48    H    PHE   7           HN       PHE   7 -12.105  -1.255   1.175
   49    HA   PHE   7           HA       PHE   7 -12.735   1.433   2.197
   50    HB2  PHE   7           HB2      PHE   7 -10.184  -0.139   2.612
   51    HB3  PHE   7           HB1      PHE   7 -10.293   1.598   2.867
   52    HD1  PHE   7           HD1      PHE   7 -11.513   2.507   4.748
   53    HD2  PHE   7           HD2      PHE   7 -11.250  -1.694   4.124
   54    HE1  PHE   7           HE1      PHE   7 -12.300   2.121   7.048
   55    HE2  PHE   7           HE2      PHE   7 -12.038  -2.089   6.422
   56    HZ   PHE   7           HZ       PHE   7 -12.564  -0.180   7.886
   57    H    SER   8           HN       SER   8 -11.266   3.134   1.271
   58    HA   SER   8           HA       SER   8 -11.072   2.756  -1.583
   59    HB2  SER   8           HB2      SER   8 -10.732   5.141   0.248
   60    HB3  SER   8           HB1      SER   8 -10.401   5.246  -1.482
   61    HG   SER   8           HG       SER   8 -12.762   5.310  -0.204
   62    HA   PRO   9           HA       PRO   9  -6.598   2.223  -1.675
   63    HB2  PRO   9           HB2      PRO   9  -6.022   4.041  -3.869
   64    HB3  PRO   9           HB1      PRO   9  -6.129   2.272  -3.901
   65    HG2  PRO   9           HG2      PRO   9  -7.908   3.844  -5.170
   66    HG3  PRO   9           HG1      PRO   9  -8.344   2.270  -4.470
   67    HD2  PRO   9           HD2      PRO   9  -8.715   5.014  -3.312
   68    HD3  PRO   9           HD1      PRO   9  -9.890   3.682  -3.436
   69    H    LEU  10           HN       LEU  10  -4.838   2.922  -0.626
   70    HA   LEU  10           HA       LEU  10  -4.399   5.815  -0.332
   71    HB2  LEU  10           HB2      LEU  10  -5.497   4.604   1.686
   72    HB3  LEU  10           HB1      LEU  10  -3.911   3.906   1.941
   73    HG   LEU  10           HG       LEU  10  -3.140   6.433   1.895
   74   HD11  LEU  10          HD11      LEU  10  -5.317   7.356   1.316
   75   HD12  LEU  10          HD12      LEU  10  -4.802   7.914   2.908
   76   HD13  LEU  10          HD13      LEU  10  -6.019   6.644   2.769
   77   HD21  LEU  10          HD21      LEU  10  -3.396   6.493   4.333
   78   HD22  LEU  10          HD22      LEU  10  -2.846   4.915   3.769
   79   HD23  LEU  10          HD23      LEU  10  -4.530   5.146   4.240
   80    H    CYS  11           HN       CYS  11  -2.539   6.254  -1.274
   81    HA   CYS  11           HA       CYS  11  -0.191   4.579  -0.713
   82    HB2  CYS  11           HB2      CYS  11  -0.756   5.696  -3.464
   83    HB3  CYS  11           HB1      CYS  11   0.512   4.568  -2.999
   84    H    THR  12           HN       THR  12   1.663   5.727  -0.340
   85    HA   THR  12           HA       THR  12   1.437   8.624  -0.333
   86    HB   THR  12           HB       THR  12   3.674   8.322   0.989
   87    HG1  THR  12           HG1      THR  12   2.543   5.913   1.830
   88   HG21  THR  12          HG21      THR  12   0.986   7.562   2.159
   89   HG22  THR  12          HG22      THR  12   1.595   9.205   1.957
   90   HG23  THR  12          HG23      THR  12   2.386   8.105   3.086
   91    H    LYS  13           HN       LYS  13   3.883   6.193  -1.125
   92    HA   LYS  13           HA       LYS  13   4.769   7.813  -3.399
   93    HB2  LYS  13           HB2      LYS  13   6.548   6.864  -1.153
   94    HB3  LYS  13           HB1      LYS  13   7.183   7.289  -2.735
   95    HG2  LYS  13           HG2      LYS  13   6.300   9.553  -2.485
   96    HG3  LYS  13           HG1      LYS  13   5.657   9.127  -0.898
   97    HD2  LYS  13           HD2      LYS  13   7.928   8.657  -0.108
   98    HD3  LYS  13           HD1      LYS  13   8.568   9.088  -1.696
   99    HE2  LYS  13           HE2      LYS  13   7.691  11.357  -1.430
  100    HE3  LYS  13           HE1      LYS  13   7.051  10.925   0.154
  101    HZ1  LYS  13           HZ1      LYS  13   9.921  10.916  -0.611
  102    HZ2  LYS  13           HZ2      LYS  13   9.307  10.504   0.910
  103    HZ3  LYS  13           HZ3      LYS  13   9.156  12.089   0.338
  104    H    SER  14           HN       SER  14   3.654   4.950  -2.408
  105    HA   SER  14           HA       SER  14   3.429   2.909  -3.345
  106    HB2  SER  14           HB2      SER  14   5.202   3.924  -5.571
  107    HB3  SER  14           HB1      SER  14   4.316   2.399  -5.594
  108    HG   SER  14           HG       SER  14   2.382   3.646  -5.382
  109    H    ILE  15           HN       ILE  15   6.765   4.022  -3.478
  110    HA   ILE  15           HA       ILE  15   7.580   1.630  -2.035
  111    HB   ILE  15           HB       ILE  15   7.935   1.110  -4.432
  112   HG12  ILE  15          HG12      ILE  15  10.560   0.755  -4.182
  113   HG13  ILE  15          HG11      ILE  15  10.219   1.217  -2.519
  114   HG21  ILE  15          HG21      ILE  15   8.376   3.308  -5.331
  115   HG22  ILE  15          HG22      ILE  15   9.704   2.216  -5.721
  116   HG23  ILE  15          HG23      ILE  15   9.889   3.404  -4.430
  117   HD11  ILE  15          HD11      ILE  15   9.020  -1.090  -4.034
  118   HD12  ILE  15          HD12      ILE  15   8.541  -0.597  -2.410
  119   HD13  ILE  15          HD13      ILE  15  10.181  -1.172  -2.711
  120    HA   PRO  16           HA       PRO  16   8.799   0.957  -0.700
  121    HB2  PRO  16           HB2      PRO  16  10.215   1.006   1.633
  122    HB3  PRO  16           HB1      PRO  16  10.947   0.786   0.037
  123    HG2  PRO  16           HG2      PRO  16  11.224   3.018   1.836
  124    HG3  PRO  16           HG1      PRO  16  12.046   2.726   0.295
  125    HD2  PRO  16           HD2      PRO  16   9.692   4.404   0.862
  126    HD3  PRO  16           HD1      PRO  16  10.826   4.471  -0.504
  127    HA   PRO  17           HA       PRO  17   6.265   2.562   3.148
  128    HB2  PRO  17           HB2      PRO  17   4.281   4.205   1.776
  129    HB3  PRO  17           HB1      PRO  17   5.364   4.657   3.103
  130    HG2  PRO  17           HG2      PRO  17   5.624   5.684   0.613
  131    HG3  PRO  17           HG1      PRO  17   7.015   5.417   1.688
  132    HD2  PRO  17           HD2      PRO  17   6.006   3.681  -0.542
  133    HD3  PRO  17           HD1      PRO  17   7.667   4.209  -0.193
  134    H    ILE  18           HN       ILE  18   3.284   3.087   2.094
  135    HA   ILE  18           HA       ILE  18   2.733   0.314   1.283
  136    HB   ILE  18           HB       ILE  18   1.206   1.887   3.376
  137   HG12  ILE  18          HG12      ILE  18   3.242   0.974   4.320
  138   HG13  ILE  18          HG11      ILE  18   1.871   0.065   4.931
  139   HG21  ILE  18          HG21      ILE  18  -0.204  -0.101   3.683
  140   HG22  ILE  18          HG22      ILE  18   0.590  -0.866   2.308
  141   HG23  ILE  18          HG23      ILE  18  -0.372   0.593   2.070
  142   HD11  ILE  18          HD11      ILE  18   2.414  -1.682   3.177
  143   HD12  ILE  18          HD12      ILE  18   3.580  -1.503   4.488
  144   HD13  ILE  18          HD13      ILE  18   3.920  -0.804   2.905
  Start of MODEL    6
    1    H    CYS   1           HN       CYS   1   1.356  -1.519  -1.377
    2    HA   CYS   1           HA       CYS   1  -0.504   0.514  -2.261
    3    HB2  CYS   1           HB2      CYS   1   0.990  -0.839  -4.200
    4    HB3  CYS   1           HB1      CYS   1  -0.601  -1.592  -4.223
    5    H    LYS   2           HN       LYS   2  -2.658  -0.100  -2.270
    6    HA   LYS   2           HA       LYS   2  -4.529  -1.123  -1.513
    7    HB2  LYS   2           HB2      LYS   2  -2.923  -3.606  -2.134
    8    HB3  LYS   2           HB1      LYS   2  -4.586  -3.667  -1.567
    9    HG2  LYS   2           HG2      LYS   2  -5.301  -2.387  -3.522
   10    HG3  LYS   2           HG1      LYS   2  -3.631  -2.323  -4.089
   11    HD2  LYS   2           HD2      LYS   2  -3.590  -4.766  -4.241
   12    HD3  LYS   2           HD1      LYS   2  -5.259  -4.830  -3.671
   13    HE2  LYS   2           HE2      LYS   2  -5.974  -3.557  -5.636
   14    HE3  LYS   2           HE1      LYS   2  -4.306  -3.493  -6.201
   15    HZ1  LYS   2           HZ1      LYS   2  -5.549  -5.240  -7.310
   16    HZ2  LYS   2           HZ2      LYS   2  -5.909  -5.966  -5.825
   17    HZ3  LYS   2           HZ3      LYS   2  -4.309  -5.904  -6.369
   18    H    ARG   3           HN       ARG   3  -5.064  -0.754   0.519
   19    HA   ARG   3           HA       ARG   3  -3.717  -2.308   2.623
   20    HB2  ARG   3           HB2      ARG   3  -3.443   0.448   2.272
   21    HB3  ARG   3           HB1      ARG   3  -4.597   0.288   3.587
   22    HG2  ARG   3           HG2      ARG   3  -2.008  -1.226   3.622
   23    HG3  ARG   3           HG1      ARG   3  -2.091   0.453   4.146
   24    HD2  ARG   3           HD2      ARG   3  -2.316  -0.874   6.096
   25    HD3  ARG   3           HD1      ARG   3  -3.922  -0.246   5.733
   26    HE   ARG   3           HE       ARG   3  -3.678  -2.750   4.517
   27   HH11  ARG   3          HH11      ARG   3  -3.818  -1.438   7.772
   28   HH12  ARG   3          HH12      ARG   3  -4.510  -2.875   8.444
   29   HH21  ARG   3          HH21      ARG   3  -4.583  -4.621   5.419
   30   HH22  ARG   3          HH22      ARG   3  -4.943  -4.676   7.113
   31    HA   PRO   4           HA       PRO   4  -8.174  -1.460   4.236
   32    HB2  PRO   4           HB2      PRO   4  -9.762  -0.215   2.133
   33    HB3  PRO   4           HB1      PRO   4  -9.437   0.377   3.771
   34    HG2  PRO   4           HG2      PRO   4  -8.453   1.588   1.577
   35    HG3  PRO   4           HG1      PRO   4  -7.600   1.568   3.134
   36    HD2  PRO   4           HD2      PRO   4  -7.148  -0.153   0.722
   37    HD3  PRO   4           HD1      PRO   4  -5.958   0.672   1.755
   38    HA   PRO   5           HA       PRO   5  -9.867  -5.110   2.247
   39    HB2  PRO   5           HB2      PRO   5 -12.396  -4.731   3.697
   40    HB3  PRO   5           HB1      PRO   5 -11.204  -6.033   3.850
   41    HG2  PRO   5           HG2      PRO   5 -11.553  -4.220   5.777
   42    HG3  PRO   5           HG1      PRO   5  -9.959  -4.910   5.406
   43    HD2  PRO   5           HD2      PRO   5 -11.085  -2.249   4.631
   44    HD3  PRO   5           HD1      PRO   5  -9.461  -2.664   5.214
   45    H    GLY   6           HN       GLY   6 -11.590  -2.107   2.148
   46    HA2  GLY   6           HA2      GLY   6 -12.279  -1.944  -0.423
   47    HA3  GLY   6           HA1      GLY   6 -13.515  -3.040   0.171
   48    H    PHE   7           HN       PHE   7 -12.020   0.059   1.127
   49    HA   PHE   7           HA       PHE   7 -14.712   1.163   1.482
   50    HB2  PHE   7           HB2      PHE   7 -12.405   1.304   3.397
   51    HB3  PHE   7           HB1      PHE   7 -13.658   2.540   3.401
   52    HD1  PHE   7           HD1      PHE   7 -12.912  -0.991   4.050
   53    HD2  PHE   7           HD2      PHE   7 -15.864   2.069   4.215
   54    HE1  PHE   7           HE1      PHE   7 -14.310  -2.422   5.483
   55    HE2  PHE   7           HE2      PHE   7 -17.266   0.644   5.648
   56    HZ   PHE   7           HZ       PHE   7 -16.491  -1.605   6.284
   57    H    SER   8           HN       SER   8 -11.299   2.069   1.323
   58    HA   SER   8           HA       SER   8 -11.920   4.043  -0.714
   59    HB2  SER   8           HB2      SER   8 -10.525   4.733   1.893
   60    HB3  SER   8           HB1      SER   8 -10.529   5.791   0.483
   61    HG   SER   8           HG       SER   8 -12.376   5.576   2.364
   62    HA   PRO   9           HA       PRO   9  -7.817   2.645  -2.008
   63    HB2  PRO   9           HB2      PRO   9  -7.129   4.788  -3.707
   64    HB3  PRO   9           HB1      PRO   9  -8.144   3.402  -4.137
   65    HG2  PRO   9           HG2      PRO   9  -8.992   6.054  -4.013
   66    HG3  PRO   9           HG1      PRO   9 -10.040   4.624  -4.047
   67    HD2  PRO   9           HD2      PRO   9  -9.113   6.240  -1.703
   68    HD3  PRO   9           HD1      PRO   9 -10.715   5.531  -2.024
   69    H    LEU  10           HN       LEU  10  -5.990   2.528  -0.918
   70    HA   LEU  10           HA       LEU  10  -4.373   4.917  -0.449
   71    HB2  LEU  10           HB2      LEU  10  -5.254   2.992   1.706
   72    HB3  LEU  10           HB1      LEU  10  -3.858   4.037   1.886
   73    HG   LEU  10           HG       LEU  10  -6.495   5.270   1.203
   74   HD11  LEU  10          HD11      LEU  10  -7.090   3.819   3.019
   75   HD12  LEU  10          HD12      LEU  10  -6.966   5.467   3.632
   76   HD13  LEU  10          HD13      LEU  10  -5.670   4.313   3.939
   77   HD21  LEU  10          HD21      LEU  10  -4.485   6.659   1.234
   78   HD22  LEU  10          HD22      LEU  10  -4.152   6.155   2.891
   79   HD23  LEU  10          HD23      LEU  10  -5.588   7.115   2.532
   80    H    CYS  11           HN       CYS  11  -2.276   4.556  -0.896
   81    HA   CYS  11           HA       CYS  11  -1.339   1.778  -0.940
   82    HB2  CYS  11           HB2      CYS  11  -1.187   3.819  -3.132
   83    HB3  CYS  11           HB1      CYS  11   0.076   2.602  -3.003
   84    H    THR  12           HN       THR  12  -0.607   2.646   1.237
   85    HA   THR  12           HA       THR  12   2.214   3.137   1.091
   86    HB   THR  12           HB       THR  12   0.910   5.198   2.822
   87    HG1  THR  12           HG1      THR  12   1.292   5.541   0.003
   88   HG21  THR  12          HG21      THR  12   3.351   4.865   2.834
   89   HG22  THR  12          HG22      THR  12   2.947   6.458   2.193
   90   HG23  THR  12          HG23      THR  12   3.410   5.158   1.094
   91    H    LYS  13           HN       LYS  13   3.293   2.807   3.067
   92    HA   LYS  13           HA       LYS  13   1.660   1.727   5.253
   93    HB2  LYS  13           HB2      LYS  13   3.008   0.078   3.663
   94    HB3  LYS  13           HB1      LYS  13   4.343   0.544   4.706
   95    HG2  LYS  13           HG2      LYS  13   3.094  -0.227   6.659
   96    HG3  LYS  13           HG1      LYS  13   1.746  -0.689   5.615
   97    HD2  LYS  13           HD2      LYS  13   3.205  -2.278   4.448
   98    HD3  LYS  13           HD1      LYS  13   4.544  -1.818   5.500
   99    HE2  LYS  13           HE2      LYS  13   3.288  -2.609   7.443
  100    HE3  LYS  13           HE1      LYS  13   1.945  -3.060   6.394
  101    HZ1  LYS  13           HZ1      LYS  13   3.313  -4.968   6.939
  102    HZ2  LYS  13           HZ2      LYS  13   4.681  -4.210   6.296
  103    HZ3  LYS  13           HZ3      LYS  13   3.398  -4.640   5.281
  104    H    SER  14           HN       SER  14   5.042   2.480   4.563
  105    HA   SER  14           HA       SER  14   5.190   4.611   6.462
  106    HB2  SER  14           HB2      SER  14   5.357   2.605   7.969
  107    HB3  SER  14           HB1      SER  14   6.817   2.136   7.099
  108    HG   SER  14           HG       SER  14   6.454   4.066   9.011
  109    H    ILE  15           HN       ILE  15   7.481   2.233   5.214
  110    HA   ILE  15           HA       ILE  15   8.497   3.703   3.076
  111    HB   ILE  15           HB       ILE  15   9.344   5.268   4.802
  112   HG12  ILE  15          HG12      ILE  15  11.903   4.972   4.167
  113   HG13  ILE  15          HG11      ILE  15  11.248   3.785   3.043
  114   HG21  ILE  15          HG21      ILE  15   9.677   3.778   6.671
  115   HG22  ILE  15          HG22      ILE  15  11.170   4.645   6.313
  116   HG23  ILE  15          HG23      ILE  15  10.990   2.961   5.822
  117   HD11  ILE  15          HD11      ILE  15  11.510   5.920   1.953
  118   HD12  ILE  15          HD12      ILE  15  10.523   6.704   3.187
  119   HD13  ILE  15          HD13      ILE  15   9.796   5.528   2.092
  120    HA   PRO  16           HA       PRO  16   9.753   3.329   1.307
  121    HB2  PRO  16           HB2      PRO  16   9.406   1.033  -0.508
  122    HB3  PRO  16           HB1      PRO  16  10.689   2.254  -0.494
  123    HG2  PRO  16           HG2      PRO  16  11.167  -0.285   0.176
  124    HG3  PRO  16           HG1      PRO  16  11.998   1.071   0.968
  125    HD2  PRO  16           HD2      PRO  16   9.646  -0.515   1.940
  126    HD3  PRO  16           HD1      PRO  16  11.117  -0.032   2.817
  127    HA   PRO  17           HA       PRO  17   5.317   3.305   0.438
  128    HB2  PRO  17           HB2      PRO  17   5.435   3.319  -2.497
  129    HB3  PRO  17           HB1      PRO  17   4.924   4.610  -1.392
  130    HG2  PRO  17           HG2      PRO  17   7.197   4.816  -2.793
  131    HG3  PRO  17           HG1      PRO  17   7.073   5.439  -1.132
  132    HD2  PRO  17           HD2      PRO  17   8.241   2.843  -2.085
  133    HD3  PRO  17           HD1      PRO  17   8.927   4.034  -0.956
  134    H    ILE  18           HN       ILE  18   3.463   2.129  -0.215
  135    HA   ILE  18           HA       ILE  18   3.943  -0.481  -1.468
  136    HB   ILE  18           HB       ILE  18   3.910  -0.440   1.140
  137   HG12  ILE  18          HG12      ILE  18   2.352  -2.623   1.001
  138   HG13  ILE  18          HG11      ILE  18   2.627  -2.369  -0.718
  139   HG21  ILE  18          HG21      ILE  18   0.973  -0.175   0.582
  140   HG22  ILE  18          HG22      ILE  18   1.984   0.808   1.644
  141   HG23  ILE  18          HG23      ILE  18   1.614  -0.862   2.076
  142   HD11  ILE  18          HD11      ILE  18   4.761  -2.700   1.377
  143   HD12  ILE  18          HD12      ILE  18   5.036  -2.442  -0.346
  144   HD13  ILE  18          HD13      ILE  18   4.244  -3.918   0.211
  Start of MODEL    7
    1    H    CYS   1           HN       CYS   1   0.198  -0.091  -0.063
    2    HA   CYS   1           HA       CYS   1  -0.549   2.698  -0.247
    3    HB2  CYS   1           HB2      CYS   1  -0.848   0.814  -2.586
    4    HB3  CYS   1           HB1      CYS   1  -1.801   2.285  -2.425
    5    H    LYS   2           HN       LYS   2  -2.065  -0.261  -1.355
    6    HA   LYS   2           HA       LYS   2  -4.398   0.278   0.330
    7    HB2  LYS   2           HB2      LYS   2  -4.097  -1.846  -1.810
    8    HB3  LYS   2           HB1      LYS   2  -5.581  -1.411  -0.979
    9    HG2  LYS   2           HG2      LYS   2  -5.522   0.801  -2.000
   10    HG3  LYS   2           HG1      LYS   2  -4.013   0.392  -2.818
   11    HD2  LYS   2           HD2      LYS   2  -5.177  -1.444  -3.985
   12    HD3  LYS   2           HD1      LYS   2  -6.684  -0.962  -3.206
   13    HE2  LYS   2           HE2      LYS   2  -6.743   0.004  -5.356
   14    HE3  LYS   2           HE1      LYS   2  -6.336   1.318  -4.256
   15    HZ1  LYS   2           HZ1      LYS   2  -4.960   1.369  -6.237
   16    HZ2  LYS   2           HZ2      LYS   2  -4.404  -0.198  -5.928
   17    HZ3  LYS   2           HZ3      LYS   2  -4.010   1.061  -4.872
   18    H    ARG   3           HN       ARG   3  -5.067  -0.959   1.963
   19    HA   ARG   3           HA       ARG   3  -3.611  -3.439   2.550
   20    HB2  ARG   3           HB2      ARG   3  -4.110  -1.120   4.394
   21    HB3  ARG   3           HB1      ARG   3  -3.932  -2.745   5.035
   22    HG2  ARG   3           HG2      ARG   3  -1.724  -2.906   3.993
   23    HG3  ARG   3           HG1      ARG   3  -1.907  -1.264   3.370
   24    HD2  ARG   3           HD2      ARG   3  -2.064  -0.409   5.648
   25    HD3  ARG   3           HD1      ARG   3  -1.923  -2.046   6.285
   26    HE   ARG   3           HE       ARG   3   0.295  -1.560   4.662
   27   HH11  ARG   3          HH11      ARG   3  -1.003  -0.400   7.712
   28   HH12  ARG   3          HH12      ARG   3   0.554   0.003   8.353
   29   HH21  ARG   3          HH21      ARG   3   2.323  -1.025   5.522
   30   HH22  ARG   3          HH22      ARG   3   2.435  -0.352   7.113
   31    HA   PRO   4           HA       PRO   4  -8.087  -3.846   4.339
   32    HB2  PRO   4           HB2      PRO   4  -9.720  -1.632   3.395
   33    HB3  PRO   4           HB1      PRO   4  -9.347  -2.086   5.066
   34    HG2  PRO   4           HG2      PRO   4  -8.451   0.196   3.930
   35    HG3  PRO   4           HG1      PRO   4  -7.567  -0.670   5.206
   36    HD2  PRO   4           HD2      PRO   4  -7.122  -0.723   2.242
   37    HD3  PRO   4           HD1      PRO   4  -5.937  -0.585   3.555
   38    HA   PRO   5           HA       PRO   5  -9.997  -5.663   0.709
   39    HB2  PRO   5           HB2      PRO   5 -12.731  -5.018   1.666
   40    HB3  PRO   5           HB1      PRO   5 -12.010  -6.595   1.293
   41    HG2  PRO   5           HG2      PRO   5 -12.459  -5.888   3.798
   42    HG3  PRO   5           HG1      PRO   5 -10.986  -6.774   3.349
   43    HD2  PRO   5           HD2      PRO   5 -11.325  -3.858   3.930
   44    HD3  PRO   5           HD1      PRO   5 -10.028  -4.964   4.426
   45    H    GLY   6           HN       GLY   6 -10.841  -2.417   1.496
   46    HA2  GLY   6           HA2      GLY   6 -10.611  -1.030  -0.665
   47    HA3  GLY   6           HA1      GLY   6 -12.011  -1.963  -1.170
   48    H    PHE   7           HN       PHE   7 -10.841   0.341   1.242
   49    HA   PHE   7           HA       PHE   7 -13.519   1.514   1.361
   50    HB2  PHE   7           HB2      PHE   7 -11.858   0.734   3.757
   51    HB3  PHE   7           HB1      PHE   7 -13.214   1.852   3.849
   52    HD1  PHE   7           HD1      PHE   7 -15.491   1.070   3.608
   53    HD2  PHE   7           HD2      PHE   7 -12.208  -1.628   3.391
   54    HE1  PHE   7           HE1      PHE   7 -17.035  -0.826   3.884
   55    HE2  PHE   7           HE2      PHE   7 -13.746  -3.529   3.667
   56    HZ   PHE   7           HZ       PHE   7 -16.163  -3.129   3.913
   57    H    SER   8           HN       SER   8 -10.094   1.848   1.975
   58    HA   SER   8           HA       SER   8 -10.304   4.754   1.525
   59    HB2  SER   8           HB2      SER   8  -8.627   3.407   3.659
   60    HB3  SER   8           HB1      SER   8  -8.588   5.126   3.268
   61    HG   SER   8           HG       SER   8 -10.406   3.700   4.738
   62    HA   PRO   9           HA       PRO   9  -6.884   2.393  -1.046
   63    HB2  PRO   9           HB2      PRO   9  -7.784   3.305  -3.510
   64    HB3  PRO   9           HB1      PRO   9  -8.149   1.709  -2.827
   65    HG2  PRO   9           HG2      PRO   9  -9.805   4.190  -2.801
   66    HG3  PRO   9           HG1      PRO   9 -10.293   2.509  -3.106
   67    HD2  PRO   9           HD2      PRO   9 -10.765   3.614  -0.751
   68    HD3  PRO   9           HD1      PRO   9 -10.201   1.932  -0.859
   69    H    LEU  10           HN       LEU  10  -5.170   3.616  -0.615
   70    HA   LEU  10           HA       LEU  10  -4.760   6.106  -2.068
   71    HB2  LEU  10           HB2      LEU  10  -4.648   5.931   0.951
   72    HB3  LEU  10           HB1      LEU  10  -3.895   7.224   0.040
   73    HG   LEU  10           HG       LEU  10  -6.815   6.711  -0.347
   74   HD11  LEU  10          HD11      LEU  10  -7.329   8.202   1.529
   75   HD12  LEU  10          HD12      LEU  10  -5.624   8.209   1.983
   76   HD13  LEU  10          HD13      LEU  10  -6.552   6.712   2.070
   77   HD21  LEU  10          HD21      LEU  10  -6.843   9.135  -0.686
   78   HD22  LEU  10          HD22      LEU  10  -5.680   8.352  -1.755
   79   HD23  LEU  10          HD23      LEU  10  -5.119   9.209  -0.319
   80    H    CYS  11           HN       CYS  11  -2.399   6.914  -1.576
   81    HA   CYS  11           HA       CYS  11  -0.626   4.596  -1.180
   82    HB2  CYS  11           HB2      CYS  11  -0.655   6.546  -3.448
   83    HB3  CYS  11           HB1      CYS  11   0.872   5.844  -2.927
   84    H    THR  12           HN       THR  12   1.415   5.018  -0.336
   85    HA   THR  12           HA       THR  12   1.646   7.504   1.152
   86    HB   THR  12           HB       THR  12   3.569   6.127   2.243
   87    HG1  THR  12           HG1      THR  12   2.046   3.886   1.567
   88   HG21  THR  12          HG21      THR  12   0.671   5.341   2.649
   89   HG22  THR  12          HG22      THR  12   1.479   6.714   3.406
   90   HG23  THR  12          HG23      THR  12   1.977   5.069   3.802
   91    H    LYS  13           HN       LYS  13   3.973   5.290  -0.309
   92    HA   LYS  13           HA       LYS  13   5.138   7.350  -1.982
   93    HB2  LYS  13           HB2      LYS  13   6.622   6.161   0.352
   94    HB3  LYS  13           HB1      LYS  13   7.485   6.721  -1.069
   95    HG2  LYS  13           HG2      LYS  13   6.541   8.955  -0.758
   96    HG3  LYS  13           HG1      LYS  13   5.684   8.387   0.677
   97    HD2  LYS  13           HD2      LYS  13   7.829   7.847   1.736
   98    HD3  LYS  13           HD1      LYS  13   8.679   8.427   0.304
   99    HE2  LYS  13           HE2      LYS  13   7.729  10.658   0.651
  100    HE3  LYS  13           HE1      LYS  13   6.889  10.075   2.086
  101    HZ1  LYS  13           HZ1      LYS  13   8.926  11.225   2.668
  102    HZ2  LYS  13           HZ2      LYS  13   9.834  10.160   1.720
  103    HZ3  LYS  13           HZ3      LYS  13   9.031   9.593   3.096
  104    H    SER  14           HN       SER  14   4.070   4.333  -1.602
  105    HA   SER  14           HA       SER  14   4.033   2.475  -2.876
  106    HB2  SER  14           HB2      SER  14   5.976   3.902  -4.696
  107    HB3  SER  14           HB1      SER  14   5.174   2.376  -5.068
  108    HG   SER  14           HG       SER  14   3.543   4.487  -4.293
  109    H    ILE  15           HN       ILE  15   7.304   3.666  -2.390
  110    HA   ILE  15           HA       ILE  15   8.098   1.160  -1.190
  111    HB   ILE  15           HB       ILE  15   8.477   0.701  -3.595
  112   HG12  ILE  15          HG12      ILE  15  11.058   0.283  -3.417
  113   HG13  ILE  15          HG11      ILE  15  10.844   0.825  -1.758
  114   HG21  ILE  15          HG21      ILE  15  10.411   3.009  -3.540
  115   HG22  ILE  15          HG22      ILE  15   8.895   2.923  -4.437
  116   HG23  ILE  15          HG23      ILE  15  10.231   1.855  -4.861
  117   HD11  ILE  15          HD11      ILE  15  10.731  -1.542  -1.758
  118   HD12  ILE  15          HD12      ILE  15   9.583  -1.552  -3.096
  119   HD13  ILE  15          HD13      ILE  15   9.085  -0.952  -1.515
  120    HA   PRO  16           HA       PRO  16   9.935   0.328   0.204
  121    HB2  PRO  16           HB2      PRO  16   9.868   1.452   2.950
  122    HB3  PRO  16           HB1      PRO  16  10.921   0.202   2.262
  123    HG2  PRO  16           HG2      PRO  16  11.880   2.600   2.750
  124    HG3  PRO  16           HG1      PRO  16  12.330   1.738   1.263
  125    HD2  PRO  16           HD2      PRO  16  10.345   3.950   1.628
  126    HD3  PRO  16           HD1      PRO  16  11.565   3.732   0.357
  127    HA   PRO  17           HA       PRO  17   5.823   1.028   2.991
  128    HB2  PRO  17           HB2      PRO  17   4.303   3.102   1.917
  129    HB3  PRO  17           HB1      PRO  17   5.255   3.200   3.410
  130    HG2  PRO  17           HG2      PRO  17   5.980   4.090   0.652
  131    HG3  PRO  17           HG1      PRO  17   6.266   4.901   2.209
  132    HD2  PRO  17           HD2      PRO  17   8.233   3.624   0.997
  133    HD3  PRO  17           HD1      PRO  17   8.040   3.499   2.758
  134    H    ILE  18           HN       ILE  18   3.322   1.431   1.982
  135    HA   ILE  18           HA       ILE  18   3.233  -0.034  -0.577
  136    HB   ILE  18           HB       ILE  18   1.090  -0.599   1.420
  137   HG12  ILE  18          HG12      ILE  18   3.286  -2.517   1.671
  138   HG13  ILE  18          HG11      ILE  18   3.692  -0.921   2.296
  139   HG21  ILE  18          HG21      ILE  18   1.159  -2.828   0.388
  140   HG22  ILE  18          HG22      ILE  18   2.536  -2.324  -0.593
  141   HG23  ILE  18          HG23      ILE  18   0.966  -1.549  -0.811
  142   HD11  ILE  18          HD11      ILE  18   2.782  -2.352   4.033
  143   HD12  ILE  18          HD12      ILE  18   1.306  -2.569   3.092
  144   HD13  ILE  18          HD13      ILE  18   1.722  -0.976   3.724
  Start of MODEL    8
    1    H    CYS   1           HN       CYS   1   1.648  -1.356  -0.681
    2    HA   CYS   1           HA       CYS   1  -0.453   0.266  -1.868
    3    HB2  CYS   1           HB2      CYS   1   1.283  -1.545  -3.459
    4    HB3  CYS   1           HB1      CYS   1  -0.446  -1.614  -3.791
    5    H    LYS   2           HN       LYS   2  -2.455  -0.858  -2.158
    6    HA   LYS   2           HA       LYS   2  -4.162  -2.205  -1.538
    7    HB2  LYS   2           HB2      LYS   2  -1.967  -4.270  -1.352
    8    HB3  LYS   2           HB1      LYS   2  -3.656  -4.650  -1.051
    9    HG2  LYS   2           HG2      LYS   2  -4.221  -3.944  -3.321
   10    HG3  LYS   2           HG1      LYS   2  -2.524  -3.563  -3.622
   11    HD2  LYS   2           HD2      LYS   2  -1.932  -5.907  -3.236
   12    HD3  LYS   2           HD1      LYS   2  -3.629  -6.286  -2.934
   13    HE2  LYS   2           HE2      LYS   2  -4.187  -5.590  -5.213
   14    HE3  LYS   2           HE1      LYS   2  -2.492  -5.209  -5.514
   15    HZ1  LYS   2           HZ1      LYS   2  -3.078  -7.375  -6.400
   16    HZ2  LYS   2           HZ2      LYS   2  -3.572  -7.900  -4.869
   17    HZ3  LYS   2           HZ3      LYS   2  -1.946  -7.537  -5.154
   18    H    ARG   3           HN       ARG   3  -5.134  -1.583   0.229
   19    HA   ARG   3           HA       ARG   3  -4.052  -2.409   2.836
   20    HB2  ARG   3           HB2      ARG   3  -5.049   0.309   2.009
   21    HB3  ARG   3           HB1      ARG   3  -5.083  -0.193   3.694
   22    HG2  ARG   3           HG2      ARG   3  -2.648  -0.572   3.600
   23    HG3  ARG   3           HG1      ARG   3  -2.644   0.023   1.940
   24    HD2  ARG   3           HD2      ARG   3  -3.464   2.184   2.687
   25    HD3  ARG   3           HD1      ARG   3  -3.560   1.595   4.346
   26    HE   ARG   3           HE       ARG   3  -0.933   1.340   3.245
   27   HH11  ARG   3          HH11      ARG   3  -3.110   3.628   4.783
   28   HH12  ARG   3          HH12      ARG   3  -1.824   4.617   5.390
   29   HH21  ARG   3          HH21      ARG   3   0.732   2.649   4.052
   30   HH22  ARG   3          HH22      ARG   3   0.349   4.063   4.977
   31    HA   PRO   4           HA       PRO   4  -8.094  -4.040   3.850
   32    HB2  PRO   4           HB2      PRO   4  -8.122  -2.384   6.334
   33    HB3  PRO   4           HB1      PRO   4  -8.315  -4.138   6.147
   34    HG2  PRO   4           HG2      PRO   4  -6.072  -3.153   7.107
   35    HG3  PRO   4           HG1      PRO   4  -6.046  -4.510   5.959
   36    HD2  PRO   4           HD2      PRO   4  -5.455  -1.620   5.475
   37    HD3  PRO   4           HD1      PRO   4  -4.638  -3.063   4.840
   38    HA   PRO   5           HA       PRO   5 -11.338  -1.184   2.685
   39    HB2  PRO   5           HB2      PRO   5 -13.137  -2.248   4.789
   40    HB3  PRO   5           HB1      PRO   5 -13.351  -2.226   3.029
   41    HG2  PRO   5           HG2      PRO   5 -12.830  -4.489   4.299
   42    HG3  PRO   5           HG1      PRO   5 -12.115  -4.140   2.710
   43    HD2  PRO   5           HD2      PRO   5 -10.859  -3.963   5.420
   44    HD3  PRO   5           HD1      PRO   5 -10.188  -4.591   3.902
   45    H    GLY   6           HN       GLY   6 -11.658   0.891   3.096
   46    HA2  GLY   6           HA2      GLY   6 -12.092   1.814   5.847
   47    HA3  GLY   6           HA1      GLY   6 -10.751   2.504   4.943
   48    H    PHE   7           HN       PHE   7 -11.142   3.945   3.277
   49    HA   PHE   7           HA       PHE   7 -13.929   4.743   2.838
   50    HB2  PHE   7           HB2      PHE   7 -12.541   6.236   4.467
   51    HB3  PHE   7           HB1      PHE   7 -11.767   6.817   2.998
   52    HD1  PHE   7           HD1      PHE   7 -12.987   8.165   1.398
   53    HD2  PHE   7           HD2      PHE   7 -14.850   6.756   4.955
   54    HE1  PHE   7           HE1      PHE   7 -14.829   9.761   1.060
   55    HE2  PHE   7           HE2      PHE   7 -16.696   8.350   4.624
   56    HZ   PHE   7           HZ       PHE   7 -16.687   9.854   2.674
   57    H    SER   8           HN       SER   8 -10.613   5.166   1.700
   58    HA   SER   8           HA       SER   8 -11.495   4.736  -1.041
   59    HB2  SER   8           HB2      SER   8 -10.245   6.718  -1.870
   60    HB3  SER   8           HB1      SER   8 -11.511   7.192  -0.740
   61    HG   SER   8           HG       SER   8  -9.459   6.826   0.769
   62    HA   PRO   9           HA       PRO   9  -7.507   2.605  -1.155
   63    HB2  PRO   9           HB2      PRO   9  -6.821   3.152  -3.902
   64    HB3  PRO   9           HB1      PRO   9  -7.605   1.706  -3.245
   65    HG2  PRO   9           HG2      PRO   9  -8.847   3.430  -4.936
   66    HG3  PRO   9           HG1      PRO   9  -9.703   2.450  -3.726
   67    HD2  PRO   9           HD2      PRO   9  -8.827   5.316  -3.554
   68    HD3  PRO   9           HD1      PRO   9 -10.405   4.599  -3.145
   69    H    LEU  10           HN       LEU  10  -5.402   2.909  -0.669
   70    HA   LEU  10           HA       LEU  10  -4.057   5.367  -1.559
   71    HB2  LEU  10           HB2      LEU  10  -4.162   4.307   1.267
   72    HB3  LEU  10           HB1      LEU  10  -3.028   5.529   0.731
   73    HG   LEU  10           HG       LEU  10  -5.949   6.025   0.337
   74   HD11  LEU  10          HD11      LEU  10  -6.096   6.988   2.586
   75   HD12  LEU  10          HD12      LEU  10  -4.489   6.362   2.954
   76   HD13  LEU  10          HD13      LEU  10  -5.817   5.247   2.636
   77   HD21  LEU  10          HD21      LEU  10  -3.605   7.799   1.027
   78   HD22  LEU  10          HD22      LEU  10  -5.255   8.341   0.721
   79   HD23  LEU  10          HD23      LEU  10  -4.317   7.597  -0.575
   80    H    CYS  11           HN       CYS  11  -1.896   5.180  -1.986
   81    HA   CYS  11           HA       CYS  11  -0.637   2.573  -1.488
   82    HB2  CYS  11           HB2      CYS  11  -1.072   3.941  -4.078
   83    HB3  CYS  11           HB1      CYS  11   0.522   3.236  -3.843
   84    H    THR  12           HN       THR  12  -0.127   4.466   0.283
   85    HA   THR  12           HA       THR  12   2.686   5.007  -0.129
   86    HB   THR  12           HB       THR  12   1.317   7.429   0.888
   87    HG1  THR  12           HG1      THR  12   1.330   6.839  -1.912
   88   HG21  THR  12          HG21      THR  12   3.094   8.523  -0.436
   89   HG22  THR  12          HG22      THR  12   3.564   6.958  -1.097
   90   HG23  THR  12          HG23      THR  12   3.761   7.281   0.625
   91    H    LYS  13           HN       LYS  13   3.843   5.296   1.742
   92    HA   LYS  13           HA       LYS  13   2.432   5.300   4.296
   93    HB2  LYS  13           HB2      LYS  13   3.109   2.911   3.451
   94    HB3  LYS  13           HB1      LYS  13   4.726   3.399   3.934
   95    HG2  LYS  13           HG2      LYS  13   4.015   3.709   6.211
   96    HG3  LYS  13           HG1      LYS  13   2.332   3.415   5.767
   97    HD2  LYS  13           HD2      LYS  13   2.802   1.129   5.238
   98    HD3  LYS  13           HD1      LYS  13   4.539   1.391   5.416
   99    HE2  LYS  13           HE2      LYS  13   4.218   1.865   7.796
  100    HE3  LYS  13           HE1      LYS  13   2.483   1.608   7.613
  101    HZ1  LYS  13           HZ1      LYS  13   4.587  -0.436   7.149
  102    HZ2  LYS  13           HZ2      LYS  13   2.922  -0.681   6.984
  103    HZ3  LYS  13           HZ3      LYS  13   3.579  -0.348   8.507
  104    H    SER  14           HN       SER  14   5.780   4.839   3.273
  105    HA   SER  14           HA       SER  14   6.602   7.484   4.008
  106    HB2  SER  14           HB2      SER  14   7.559   5.159   5.698
  107    HB3  SER  14           HB1      SER  14   8.248   6.782   5.742
  108    HG   SER  14           HG       SER  14   5.561   6.855   6.037
  109    H    ILE  15           HN       ILE  15   8.294   4.391   4.006
  110    HA   ILE  15           HA       ILE  15   9.296   4.436   1.401
  111    HB   ILE  15           HB       ILE  15  10.555   6.444   2.133
  112   HG12  ILE  15          HG12      ILE  15  12.954   5.416   1.690
  113   HG13  ILE  15          HG11      ILE  15  12.020   3.976   1.308
  114   HG21  ILE  15          HG21      ILE  15  12.403   6.289   3.734
  115   HG22  ILE  15          HG22      ILE  15  11.910   4.643   4.130
  116   HG23  ILE  15          HG23      ILE  15  10.835   5.996   4.487
  117   HD11  ILE  15          HD11      ILE  15  12.479   5.210  -0.702
  118   HD12  ILE  15          HD12      ILE  15  11.786   6.675  -0.005
  119   HD13  ILE  15          HD13      ILE  15  10.752   5.289  -0.354
  120    HA   PRO  16           HA       PRO  16  10.338   3.028   0.024
  121    HB2  PRO  16           HB2      PRO  16   9.431   0.254  -0.412
  122    HB3  PRO  16           HB1      PRO  16  10.884   1.060  -1.028
  123    HG2  PRO  16           HG2      PRO  16  11.040  -0.867   0.802
  124    HG3  PRO  16           HG1      PRO  16  12.136   0.531   0.824
  125    HD2  PRO  16           HD2      PRO  16   9.666   0.058   2.457
  126    HD3  PRO  16           HD1      PRO  16  11.267   0.624   2.982
  127    HA   PRO  17           HA       PRO  17   5.910   3.465  -0.780
  128    HB2  PRO  17           HB2      PRO  17   5.764   1.892  -3.268
  129    HB3  PRO  17           HB1      PRO  17   5.528   3.634  -3.026
  130    HG2  PRO  17           HG2      PRO  17   7.686   2.723  -4.302
  131    HG3  PRO  17           HG1      PRO  17   7.791   4.113  -3.197
  132    HD2  PRO  17           HD2      PRO  17   8.485   1.240  -2.675
  133    HD3  PRO  17           HD1      PRO  17   9.426   2.705  -2.313
  134    H    ILE  18           HN       ILE  18   3.824   2.518  -0.747
  135    HA   ILE  18           HA       ILE  18   3.728  -0.391  -0.309
  136    HB   ILE  18           HB       ILE  18   2.509   1.753   1.460
  137   HG12  ILE  18          HG12      ILE  18   4.849   1.420   1.977
  138   HG13  ILE  18          HG11      ILE  18   3.883   0.724   3.264
  139   HG21  ILE  18          HG21      ILE  18   1.617  -0.043   2.886
  140   HG22  ILE  18          HG22      ILE  18   2.137  -1.237   1.697
  141   HG23  ILE  18          HG23      ILE  18   0.899  -0.055   1.274
  142   HD11  ILE  18          HD11      ILE  18   5.658  -0.773   2.904
  143   HD12  ILE  18          HD12      ILE  18   5.472  -0.704   1.151
  144   HD13  ILE  18          HD13      ILE  18   4.257  -1.522   2.134
  Start of MODEL    9
    1    H    CYS   1           HN       CYS   1   1.481  -1.419  -1.024
    2    HA   CYS   1           HA       CYS   1  -0.819   0.145  -1.891
    3    HB2  CYS   1           HB2      CYS   1   0.732  -1.596  -3.824
    4    HB3  CYS   1           HB1      CYS   1  -0.855  -0.907  -4.148
    5    H    LYS   2           HN       LYS   2  -2.716  -1.015  -2.087
    6    HA   LYS   2           HA       LYS   2  -4.275  -2.567  -1.580
    7    HB2  LYS   2           HB2      LYS   2  -2.051  -4.467  -2.335
    8    HB3  LYS   2           HB1      LYS   2  -3.671  -5.008  -1.924
    9    HG2  LYS   2           HG2      LYS   2  -4.576  -3.686  -3.780
   10    HG3  LYS   2           HG1      LYS   2  -2.940  -3.169  -4.196
   11    HD2  LYS   2           HD2      LYS   2  -2.309  -5.500  -4.602
   12    HD3  LYS   2           HD1      LYS   2  -3.943  -6.018  -4.181
   13    HE2  LYS   2           HE2      LYS   2  -4.833  -4.713  -6.052
   14    HE3  LYS   2           HE1      LYS   2  -3.200  -4.199  -6.471
   15    HZ1  LYS   2           HZ1      LYS   2  -2.620  -6.509  -6.889
   16    HZ2  LYS   2           HZ2      LYS   2  -3.928  -6.038  -7.854
   17    HZ3  LYS   2           HZ3      LYS   2  -4.188  -7.001  -6.487
   18    H    ARG   3           HN       ARG   3  -4.595  -2.021   0.525
   19    HA   ARG   3           HA       ARG   3  -3.612  -3.942   2.494
   20    HB2  ARG   3           HB2      ARG   3  -2.414  -1.508   2.394
   21    HB3  ARG   3           HB1      ARG   3  -3.732  -1.167   3.506
   22    HG2  ARG   3           HG2      ARG   3  -3.008  -3.053   4.912
   23    HG3  ARG   3           HG1      ARG   3  -1.646  -3.313   3.818
   24    HD2  ARG   3           HD2      ARG   3  -0.826  -1.062   4.304
   25    HD3  ARG   3           HD1      ARG   3  -2.193  -0.793   5.385
   26    HE   ARG   3           HE       ARG   3  -0.607  -3.096   6.065
   27   HH11  ARG   3          HH11      ARG   3  -0.932   0.371   6.527
   28   HH12  ARG   3          HH12      ARG   3  -0.047   0.370   8.016
   29   HH21  ARG   3          HH21      ARG   3   0.547  -3.072   8.015
   30   HH22  ARG   3          HH22      ARG   3   0.788  -1.577   8.857
   31    HA   PRO   4           HA       PRO   4  -7.701  -2.024   4.157
   32    HB2  PRO   4           HB2      PRO   4  -8.829  -0.152   2.251
   33    HB3  PRO   4           HB1      PRO   4  -8.282   0.164   3.906
   34    HG2  PRO   4           HG2      PRO   4  -7.047   1.180   1.718
   35    HG3  PRO   4           HG1      PRO   4  -6.209   0.832   3.245
   36    HD2  PRO   4           HD2      PRO   4  -6.317  -0.813   0.742
   37    HD3  PRO   4           HD1      PRO   4  -4.924  -0.432   1.779
   38    HA   PRO   5           HA       PRO   5 -10.495  -4.595   1.780
   39    HB2  PRO   5           HB2      PRO   5 -12.902  -3.483   2.975
   40    HB3  PRO   5           HB1      PRO   5 -12.135  -5.048   3.288
   41    HG2  PRO   5           HG2      PRO   5 -12.210  -3.067   5.119
   42    HG3  PRO   5           HG1      PRO   5 -10.893  -4.253   5.025
   43    HD2  PRO   5           HD2      PRO   5 -10.966  -1.436   4.011
   44    HD3  PRO   5           HD1      PRO   5  -9.669  -2.295   4.870
   45    H    GLY   6           HN       GLY   6 -11.323  -1.200   1.881
   46    HA2  GLY   6           HA2      GLY   6 -11.514  -0.533  -0.681
   47    HA3  GLY   6           HA1      GLY   6 -13.031  -1.396  -0.479
   48    H    PHE   7           HN       PHE   7 -11.319   0.830   1.703
   49    HA   PHE   7           HA       PHE   7 -13.518   2.755   1.453
   50    HB2  PHE   7           HB2      PHE   7 -12.424   1.641   4.037
   51    HB3  PHE   7           HB1      PHE   7 -13.393   3.108   3.955
   52    HD1  PHE   7           HD1      PHE   7 -15.761   3.010   3.464
   53    HD2  PHE   7           HD2      PHE   7 -13.412  -0.534   3.666
   54    HE1  PHE   7           HE1      PHE   7 -17.814   1.660   3.587
   55    HE2  PHE   7           HE2      PHE   7 -15.462  -1.890   3.789
   56    HZ   PHE   7           HZ       PHE   7 -17.666  -0.793   3.749
   57    H    SER   8           HN       SER   8 -10.214   2.067   2.238
   58    HA   SER   8           HA       SER   8  -9.511   4.911   1.891
   59    HB2  SER   8           HB2      SER   8  -8.376   3.034   3.981
   60    HB3  SER   8           HB1      SER   8  -7.805   4.671   3.664
   61    HG   SER   8           HG       SER   8  -9.939   5.393   4.206
   62    HA   PRO   9           HA       PRO   9  -6.799   1.689  -0.546
   63    HB2  PRO   9           HB2      PRO   9  -8.031   2.755  -3.011
   64    HB3  PRO   9           HB1      PRO   9  -7.760   1.071  -2.525
   65    HG2  PRO   9           HG2      PRO   9 -10.206   2.085  -2.585
   66    HG3  PRO   9           HG1      PRO   9  -9.707   0.960  -1.302
   67    HD2  PRO   9           HD2      PRO   9  -9.918   3.946  -1.207
   68    HD3  PRO   9           HD1      PRO   9 -10.488   2.740  -0.031
   69    H    LEU  10           HN       LEU  10  -4.847   2.477  -0.625
   70    HA   LEU  10           HA       LEU  10  -4.262   4.893  -2.182
   71    HB2  LEU  10           HB2      LEU  10  -3.312   4.339   0.637
   72    HB3  LEU  10           HB1      LEU  10  -2.612   5.566  -0.400
   73    HG   LEU  10           HG       LEU  10  -5.549   5.666   0.142
   74   HD11  LEU  10          HD11      LEU  10  -4.583   5.320   2.345
   75   HD12  LEU  10          HD12      LEU  10  -5.137   6.985   2.167
   76   HD13  LEU  10          HD13      LEU  10  -3.417   6.613   2.055
   77   HD21  LEU  10          HD21      LEU  10  -5.148   8.074  -0.030
   78   HD22  LEU  10          HD22      LEU  10  -4.557   7.223  -1.457
   79   HD23  LEU  10          HD23      LEU  10  -3.421   7.775  -0.226
   80    H    CYS  11           HN       CYS  11  -1.831   5.069  -2.605
   81    HA   CYS  11           HA       CYS  11  -0.592   2.405  -2.693
   82    HB2  CYS  11           HB2      CYS  11  -1.527   3.868  -4.932
   83    HB3  CYS  11           HB1      CYS  11   0.233   3.896  -4.994
   84    H    THR  12           HN       THR  12  -0.153   4.691  -0.886
   85    HA   THR  12           HA       THR  12   2.726   4.670  -0.982
   86    HB   THR  12           HB       THR  12   1.660   7.460  -0.758
   87    HG1  THR  12           HG1      THR  12   2.171   6.127  -3.243
   88   HG21  THR  12          HG21      THR  12   3.883   7.975  -1.719
   89   HG22  THR  12          HG22      THR  12   4.206   6.251  -1.898
   90   HG23  THR  12          HG23      THR  12   4.031   6.952  -0.291
   91    H    LYS  13           HN       LYS  13   3.714   5.341   0.944
   92    HA   LYS  13           HA       LYS  13   1.968   5.932   3.219
   93    HB2  LYS  13           HB2      LYS  13   2.715   3.420   2.935
   94    HB3  LYS  13           HB1      LYS  13   4.237   4.009   3.583
   95    HG2  LYS  13           HG2      LYS  13   3.075   4.808   5.584
   96    HG3  LYS  13           HG1      LYS  13   1.547   4.215   4.930
   97    HD2  LYS  13           HD2      LYS  13   2.419   1.935   4.937
   98    HD3  LYS  13           HD1      LYS  13   3.966   2.519   5.551
   99    HE2  LYS  13           HE2      LYS  13   2.800   1.676   7.423
  100    HE3  LYS  13           HE1      LYS  13   2.692   3.431   7.534
  101    HZ1  LYS  13           HZ1      LYS  13   0.568   1.628   6.496
  102    HZ2  LYS  13           HZ2      LYS  13   0.463   3.313   6.601
  103    HZ3  LYS  13           HZ3      LYS  13   0.570   2.385   8.010
  104    H    SER  14           HN       SER  14   5.383   5.354   2.526
  105    HA   SER  14           HA       SER  14   6.154   8.067   3.030
  106    HB2  SER  14           HB2      SER  14   7.061   5.929   4.974
  107    HB3  SER  14           HB1      SER  14   7.725   7.560   4.892
  108    HG   SER  14           HG       SER  14   5.093   6.779   5.595
  109    H    ILE  15           HN       ILE  15   7.871   5.012   3.412
  110    HA   ILE  15           HA       ILE  15   8.952   4.770   0.860
  111    HB   ILE  15           HB       ILE  15  10.156   6.876   1.358
  112   HG12  ILE  15          HG12      ILE  15  12.586   5.839   1.113
  113   HG13  ILE  15          HG11      ILE  15  11.677   4.350   0.886
  114   HG21  ILE  15          HG21      ILE  15  10.383   6.738   3.758
  115   HG22  ILE  15          HG22      ILE  15  11.964   6.966   3.012
  116   HG23  ILE  15          HG23      ILE  15  11.490   5.374   3.603
  117   HD11  ILE  15          HD11      ILE  15  10.460   5.389  -0.968
  118   HD12  ILE  15          HD12      ILE  15  12.202   5.371  -1.242
  119   HD13  ILE  15          HD13      ILE  15  11.403   6.864  -0.747
  120    HA   PRO  16           HA       PRO  16   9.929   3.203  -0.317
  121    HB2  PRO  16           HB2      PRO  16   9.048   0.391  -0.392
  122    HB3  PRO  16           HB1      PRO  16  10.489   1.124  -1.115
  123    HG2  PRO  16           HG2      PRO  16  10.668  -0.562   0.942
  124    HG3  PRO  16           HG1      PRO  16  11.763   0.825   0.768
  125    HD2  PRO  16           HD2      PRO  16   9.321   0.567   2.489
  126    HD3  PRO  16           HD1      PRO  16  10.929   1.200   2.908
  127    HA   PRO  17           HA       PRO  17   5.472   3.480  -1.013
  128    HB2  PRO  17           HB2      PRO  17   5.281   1.791  -3.406
  129    HB3  PRO  17           HB1      PRO  17   5.101   3.549  -3.261
  130    HG2  PRO  17           HG2      PRO  17   7.213   2.474  -4.513
  131    HG3  PRO  17           HG1      PRO  17   7.363   3.954  -3.537
  132    HD2  PRO  17           HD2      PRO  17   8.015   1.125  -2.774
  133    HD3  PRO  17           HD1      PRO  17   8.988   2.597  -2.559
  134    H    ILE  18           HN       ILE  18   3.409   2.501  -0.898
  135    HA   ILE  18           HA       ILE  18   3.342  -0.392  -0.357
  136    HB   ILE  18           HB       ILE  18   2.227   1.807   1.398
  137   HG12  ILE  18          HG12      ILE  18   4.560   1.374   1.874
  138   HG13  ILE  18          HG11      ILE  18   3.590   0.743   3.193
  139   HG21  ILE  18          HG21      ILE  18   1.719  -1.162   1.667
  140   HG22  ILE  18          HG22      ILE  18   0.532   0.076   1.262
  141   HG23  ILE  18          HG23      ILE  18   1.277   0.061   2.860
  142   HD11  ILE  18          HD11      ILE  18   5.084  -0.781   1.079
  143   HD12  ILE  18          HD12      ILE  18   3.834  -1.536   2.068
  144   HD13  ILE  18          HD13      ILE  18   5.270  -0.851   2.831
  Start of MODEL   10
    1    H    CYS   1           HN       CYS   1   0.807  -0.375  -2.091
    2    HA   CYS   1           HA       CYS   1  -1.115   1.708  -1.457
    3    HB2  CYS   1           HB2      CYS   1  -0.151   1.172  -4.257
    4    HB3  CYS   1           HB1      CYS   1  -1.768   1.802  -3.958
    5    H    LYS   2           HN       LYS   2  -3.210   1.048  -1.501
    6    HA   LYS   2           HA       LYS   2  -4.992  -0.333  -1.368
    7    HB2  LYS   2           HB2      LYS   2  -3.591  -1.681  -3.678
    8    HB3  LYS   2           HB1      LYS   2  -5.148  -2.227  -3.072
    9    HG2  LYS   2           HG2      LYS   2  -6.119  -0.049  -3.573
   10    HG3  LYS   2           HG1      LYS   2  -4.555   0.517  -4.162
   11    HD2  LYS   2           HD2      LYS   2  -4.591  -1.197  -5.907
   12    HD3  LYS   2           HD1      LYS   2  -6.150  -1.773  -5.313
   13    HE2  LYS   2           HE2      LYS   2  -7.146   0.403  -5.816
   14    HE3  LYS   2           HE1      LYS   2  -5.588   0.984  -6.401
   15    HZ1  LYS   2           HZ1      LYS   2  -7.013   0.298  -8.224
   16    HZ2  LYS   2           HZ2      LYS   2  -7.149  -1.257  -7.572
   17    HZ3  LYS   2           HZ3      LYS   2  -5.652  -0.704  -8.132
   18    H    ARG   3           HN       ARG   3  -4.444  -0.933   0.738
   19    HA   ARG   3           HA       ARG   3  -3.722  -3.759   0.997
   20    HB2  ARG   3           HB2      ARG   3  -2.176  -1.547   1.993
   21    HB3  ARG   3           HB1      ARG   3  -2.763  -2.518   3.338
   22    HG2  ARG   3           HG2      ARG   3  -1.847  -4.532   2.147
   23    HG3  ARG   3           HG1      ARG   3  -1.082  -3.416   1.014
   24    HD2  ARG   3           HD2      ARG   3   0.595  -3.840   2.574
   25    HD3  ARG   3           HD1      ARG   3  -0.086  -2.305   3.109
   26    HE   ARG   3           HE       ARG   3  -1.473  -4.250   4.478
   27   HH11  ARG   3          HH11      ARG   3   1.897  -3.280   4.253
   28   HH12  ARG   3          HH12      ARG   3   2.273  -3.803   5.862
   29   HH21  ARG   3          HH21      ARG   3  -0.955  -4.929   6.580
   30   HH22  ARG   3          HH22      ARG   3   0.659  -4.735   7.176
   31    HA   PRO   4           HA       PRO   4  -6.630  -2.722   4.658
   32    HB2  PRO   4           HB2      PRO   4  -7.398   0.047   4.760
   33    HB3  PRO   4           HB1      PRO   4  -6.393  -0.844   5.913
   34    HG2  PRO   4           HG2      PRO   4  -5.473   1.189   4.333
   35    HG3  PRO   4           HG1      PRO   4  -4.455  -0.099   5.009
   36    HD2  PRO   4           HD2      PRO   4  -5.603   0.146   2.256
   37    HD3  PRO   4           HD1      PRO   4  -3.988  -0.394   2.762
   38    HA   PRO   5           HA       PRO   5 -10.121  -2.797   1.678
   39    HB2  PRO   5           HB2      PRO   5 -11.462  -4.431   3.729
   40    HB3  PRO   5           HB1      PRO   5 -11.052  -4.848   2.056
   41    HG2  PRO   5           HG2      PRO   5  -9.790  -5.961   4.130
   42    HG3  PRO   5           HG1      PRO   5  -8.961  -5.600   2.601
   43    HD2  PRO   5           HD2      PRO   5  -8.895  -4.086   5.181
   44    HD3  PRO   5           HD1      PRO   5  -7.574  -4.466   4.055
   45    H    GLY   6           HN       GLY   6 -11.583  -1.232   1.522
   46    HA2  GLY   6           HA2      GLY   6 -13.377  -0.606   3.707
   47    HA3  GLY   6           HA1      GLY   6 -12.254   0.681   3.298
   48    H    PHE   7           HN       PHE   7 -12.695   1.990   1.624
   49    HA   PHE   7           HA       PHE   7 -14.812   1.235  -0.258
   50    HB2  PHE   7           HB2      PHE   7 -14.699   3.794   1.335
   51    HB3  PHE   7           HB1      PHE   7 -15.693   3.603  -0.105
   52    HD1  PHE   7           HD1      PHE   7 -17.669   2.208  -0.075
   53    HD2  PHE   7           HD2      PHE   7 -15.257   2.668   3.400
   54    HE1  PHE   7           HE1      PHE   7 -19.476   1.260   1.299
   55    HE2  PHE   7           HE2      PHE   7 -17.059   1.720   4.781
   56    HZ   PHE   7           HZ       PHE   7 -19.173   1.016   3.731
   57    H    SER   8           HN       SER   8 -12.105   3.316   0.492
   58    HA   SER   8           HA       SER   8 -11.686   3.726  -2.386
   59    HB2  SER   8           HB2      SER   8 -10.762   5.968  -1.870
   60    HB3  SER   8           HB1      SER   8 -12.421   5.818  -1.290
   61    HG   SER   8           HG       SER   8 -11.031   6.768   0.269
   62    HA   PRO   9           HA       PRO   9  -7.541   2.151  -1.535
   63    HB2  PRO   9           HB2      PRO   9  -6.064   3.871  -3.322
   64    HB3  PRO   9           HB1      PRO   9  -6.646   2.226  -3.626
   65    HG2  PRO   9           HG2      PRO   9  -7.585   4.396  -4.955
   66    HG3  PRO   9           HG1      PRO   9  -8.552   2.938  -4.655
   67    HD2  PRO   9           HD2      PRO   9  -8.514   5.520  -3.127
   68    HD3  PRO   9           HD1      PRO   9  -9.912   4.586  -3.715
   69    H    LEU  10           HN       LEU  10  -5.625   2.393  -0.405
   70    HA   LEU  10           HA       LEU  10  -4.916   5.087   0.536
   71    HB2  LEU  10           HB2      LEU  10  -5.257   2.615   2.238
   72    HB3  LEU  10           HB1      LEU  10  -4.455   4.071   2.791
   73    HG   LEU  10           HG       LEU  10  -6.757   5.190   2.092
   74   HD11  LEU  10          HD11      LEU  10  -7.546   2.356   2.756
   75   HD12  LEU  10          HD12      LEU  10  -7.748   3.152   1.195
   76   HD13  LEU  10          HD13      LEU  10  -8.646   3.725   2.601
   77   HD21  LEU  10          HD21      LEU  10  -7.501   4.917   4.413
   78   HD22  LEU  10          HD22      LEU  10  -5.775   5.269   4.311
   79   HD23  LEU  10          HD23      LEU  10  -6.322   3.624   4.631
   80    H    CYS  11           HN       CYS  11  -2.753   5.468   0.850
   81    HA   CYS  11           HA       CYS  11  -0.896   3.247   0.320
   82    HB2  CYS  11           HB2      CYS  11  -0.653   6.043  -0.813
   83    HB3  CYS  11           HB1      CYS  11   0.493   4.730  -1.050
   84    H    THR  12           HN       THR  12   0.667   3.044   1.764
   85    HA   THR  12           HA       THR  12   1.000   5.062   3.833
   86    HB   THR  12           HB       THR  12   2.639   3.078   4.629
   87    HG1  THR  12           HG1      THR  12   0.562   1.586   3.431
   88   HG21  THR  12          HG21      THR  12  -0.376   3.064   4.901
   89   HG22  THR  12          HG22      THR  12   0.747   3.973   5.909
   90   HG23  THR  12          HG23      THR  12   0.752   2.210   5.955
   91    H    LYS  13           HN       LYS  13   3.391   5.262   4.676
   92    HA   LYS  13           HA       LYS  13   5.073   5.834   2.331
   93    HB2  LYS  13           HB2      LYS  13   4.815   7.248   4.967
   94    HB3  LYS  13           HB1      LYS  13   6.197   7.507   3.911
   95    HG2  LYS  13           HG2      LYS  13   4.694   8.260   2.132
   96    HG3  LYS  13           HG1      LYS  13   3.311   8.008   3.198
   97    HD2  LYS  13           HD2      LYS  13   4.217   9.667   4.756
   98    HD3  LYS  13           HD1      LYS  13   5.599   9.917   3.687
   99    HE2  LYS  13           HE2      LYS  13   4.086  10.682   1.921
  100    HE3  LYS  13           HE1      LYS  13   2.708  10.433   2.992
  101    HZ1  LYS  13           HZ1      LYS  13   3.619  12.099   4.488
  102    HZ2  LYS  13           HZ2      LYS  13   3.383  12.749   2.944
  103    HZ3  LYS  13           HZ3      LYS  13   4.940  12.337   3.457
  104    H    SER  14           HN       SER  14   5.020   4.155   5.363
  105    HA   SER  14           HA       SER  14   7.855   3.442   4.974
  106    HB2  SER  14           HB2      SER  14   6.351   3.658   7.594
  107    HB3  SER  14           HB1      SER  14   8.018   3.110   7.424
  108    HG   SER  14           HG       SER  14   7.845   5.409   6.157
  109    H    ILE  15           HN       ILE  15   7.440   1.645   3.716
  110    HA   ILE  15           HA       ILE  15   6.559  -0.707   5.196
  111    HB   ILE  15           HB       ILE  15   5.572  -0.609   2.380
  112   HG12  ILE  15          HG12      ILE  15   3.288   0.123   3.467
  113   HG13  ILE  15          HG11      ILE  15   4.325   0.911   4.649
  114   HG21  ILE  15          HG21      ILE  15   5.448  -2.679   3.627
  115   HG22  ILE  15          HG22      ILE  15   3.826  -2.071   3.296
  116   HG23  ILE  15          HG23      ILE  15   4.527  -1.883   4.904
  117   HD11  ILE  15          HD11      ILE  15   5.224   2.364   3.058
  118   HD12  ILE  15          HD12      ILE  15   3.503   2.295   2.676
  119   HD13  ILE  15          HD13      ILE  15   4.659   1.382   1.709
  120    HA   PRO  16           HA       PRO  16   8.482   1.670   2.935
  121    HB2  PRO  16           HB2      PRO  16   9.607   1.364   0.241
  122    HB3  PRO  16           HB1      PRO  16  10.350   2.089   1.677
  123    HG2  PRO  16           HG2      PRO  16  11.223  -0.218   0.626
  124    HG3  PRO  16           HG1      PRO  16  11.282   0.126   2.366
  125    HD2  PRO  16           HD2      PRO  16   9.270  -1.488   0.841
  126    HD3  PRO  16           HD1      PRO  16  10.099  -1.876   2.365
  127    HA   PRO  17           HA       PRO  17   5.168   3.532   0.322
  128    HB2  PRO  17           HB2      PRO  17   6.824   2.973  -2.121
  129    HB3  PRO  17           HB1      PRO  17   5.758   4.350  -1.778
  130    HG2  PRO  17           HG2      PRO  17   8.497   4.339  -1.340
  131    HG3  PRO  17           HG1      PRO  17   7.345   5.446  -0.573
  132    HD2  PRO  17           HD2      PRO  17   8.918   3.513   0.729
  133    HD3  PRO  17           HD1      PRO  17   7.571   4.429   1.427
  134    H    ILE  18           HN       ILE  18   3.389   2.419   0.169
  135    HA   ILE  18           HA       ILE  18   3.169   0.216  -1.735
  136    HB   ILE  18           HB       ILE  18   3.501  -0.436   0.872
  137   HG12  ILE  18          HG12      ILE  18   1.973  -2.506   0.227
  138   HG13  ILE  18          HG11      ILE  18   2.012  -1.746  -1.358
  139   HG21  ILE  18          HG21      ILE  18   1.482   0.726   1.633
  140   HG22  ILE  18          HG22      ILE  18   1.407  -1.009   1.935
  141   HG23  ILE  18          HG23      ILE  18   0.505  -0.309   0.592
  142   HD11  ILE  18          HD11      ILE  18   4.394  -2.646   0.249
  143   HD12  ILE  18          HD12      ILE  18   4.467  -1.834  -1.315
  144   HD13  ILE  18          HD13      ILE  18   3.731  -3.431  -1.185
  Start of MODEL   11
    1    H    CYS   1           HN       CYS   1   1.069   0.293   1.095
    2    HA   CYS   1           HA       CYS   1   0.275   3.070   0.923
    3    HB2  CYS   1           HB2      CYS   1  -1.519   0.892  -0.192
    4    HB3  CYS   1           HB1      CYS   1  -1.955   2.587  -0.021
    5    H    LYS   2           HN       LYS   2  -2.118   0.633   1.464
    6    HA   LYS   2           HA       LYS   2  -1.708   0.545   4.340
    7    HB2  LYS   2           HB2      LYS   2  -4.166   1.714   3.042
    8    HB3  LYS   2           HB1      LYS   2  -4.200   1.058   4.672
    9    HG2  LYS   2           HG2      LYS   2  -2.468   2.676   5.334
   10    HG3  LYS   2           HG1      LYS   2  -2.506   3.355   3.706
   11    HD2  LYS   2           HD2      LYS   2  -4.880   3.913   4.010
   12    HD3  LYS   2           HD1      LYS   2  -4.816   3.258   5.648
   13    HE2  LYS   2           HE2      LYS   2  -3.130   4.927   6.247
   14    HE3  LYS   2           HE1      LYS   2  -3.193   5.580   4.610
   15    HZ1  LYS   2           HZ1      LYS   2  -5.514   6.155   4.967
   16    HZ2  LYS   2           HZ2      LYS   2  -4.531   6.888   6.133
   17    HZ3  LYS   2           HZ3      LYS   2  -5.451   5.529   6.539
   18    H    ARG   3           HN       ARG   3  -3.698  -0.372   1.609
   19    HA   ARG   3           HA       ARG   3  -3.622  -3.172   2.364
   20    HB2  ARG   3           HB2      ARG   3  -6.163  -1.549   2.278
   21    HB3  ARG   3           HB1      ARG   3  -6.192  -3.268   1.924
   22    HG2  ARG   3           HG2      ARG   3  -5.270  -3.746   4.134
   23    HG3  ARG   3           HG1      ARG   3  -5.224  -2.017   4.486
   24    HD2  ARG   3           HD2      ARG   3  -7.660  -1.909   4.222
   25    HD3  ARG   3           HD1      ARG   3  -7.696  -3.639   3.889
   26    HE   ARG   3           HE       ARG   3  -6.430  -3.313   6.336
   27   HH11  ARG   3          HH11      ARG   3  -9.627  -2.708   5.013
   28   HH12  ARG   3          HH12      ARG   3 -10.424  -2.921   6.538
   29   HH21  ARG   3          HH21      ARG   3  -7.494  -3.590   8.319
   30   HH22  ARG   3          HH22      ARG   3  -9.216  -3.420   8.406
   31    HA   PRO   4           HA       PRO   4  -3.431  -3.978  -2.045
   32    HB2  PRO   4           HB2      PRO   4  -5.853  -5.717  -1.784
   33    HB3  PRO   4           HB1      PRO   4  -4.281  -6.082  -2.519
   34    HG2  PRO   4           HG2      PRO   4  -4.879  -7.084  -0.170
   35    HG3  PRO   4           HG1      PRO   4  -3.252  -6.442  -0.483
   36    HD2  PRO   4           HD2      PRO   4  -5.492  -5.225   1.066
   37    HD3  PRO   4           HD1      PRO   4  -3.749  -5.201   1.393
   38    HA   PRO   5           HA       PRO   5  -6.163  -1.246  -4.276
   39    HB2  PRO   5           HB2      PRO   5  -6.631  -2.701  -6.613
   40    HB3  PRO   5           HB1      PRO   5  -5.235  -1.648  -6.320
   41    HG2  PRO   5           HG2      PRO   5  -5.450  -4.605  -6.071
   42    HG3  PRO   5           HG1      PRO   5  -4.111  -3.613  -6.687
   43    HD2  PRO   5           HD2      PRO   5  -3.995  -4.686  -4.256
   44    HD3  PRO   5           HD1      PRO   5  -3.369  -3.054  -4.560
   45    H    GLY   6           HN       GLY   6  -8.231  -0.812  -3.992
   46    HA2  GLY   6           HA2      GLY   6 -10.233  -2.949  -4.315
   47    HA3  GLY   6           HA1      GLY   6 -10.230  -1.960  -2.863
   48    H    PHE   7           HN       PHE   7 -11.185   0.013  -2.885
   49    HA   PHE   7           HA       PHE   7 -12.101   1.095  -5.452
   50    HB2  PHE   7           HB2      PHE   7 -13.814   0.623  -3.015
   51    HB3  PHE   7           HB1      PHE   7 -14.294   1.679  -4.338
   52    HD1  PHE   7           HD1      PHE   7 -14.915   0.771  -6.494
   53    HD2  PHE   7           HD2      PHE   7 -13.762  -1.778  -3.288
   54    HE1  PHE   7           HE1      PHE   7 -15.845  -1.161  -7.701
   55    HE2  PHE   7           HE2      PHE   7 -14.690  -3.714  -4.489
   56    HZ   PHE   7           HZ       PHE   7 -15.732  -3.408  -6.699
   57    H    SER   8           HN       SER   8 -11.411   1.661  -2.071
   58    HA   SER   8           HA       SER   8 -10.903   4.500  -2.670
   59    HB2  SER   8           HB2      SER   8 -13.106   4.223  -1.530
   60    HB3  SER   8           HB1      SER   8 -12.266   3.513  -0.153
   61    HG   SER   8           HG       SER   8 -11.024   5.754  -0.649
   62    HA   PRO   9           HA       PRO   9  -7.543   2.471   0.115
   63    HB2  PRO   9           HB2      PRO   9  -5.769   1.900  -2.108
   64    HB3  PRO   9           HB1      PRO   9  -6.462   0.767  -0.935
   65    HG2  PRO   9           HG2      PRO   9  -7.124   0.758  -3.557
   66    HG3  PRO   9           HG1      PRO   9  -8.233   0.246  -2.269
   67    HD2  PRO   9           HD2      PRO   9  -8.106   2.868  -3.710
   68    HD3  PRO   9           HD1      PRO   9  -9.524   1.878  -3.293
   69    H    LEU  10           HN       LEU  10  -6.007   3.757   0.953
   70    HA   LEU  10           HA       LEU  10  -5.161   6.109  -0.592
   71    HB2  LEU  10           HB2      LEU  10  -5.175   5.561   2.379
   72    HB3  LEU  10           HB1      LEU  10  -4.463   6.993   1.662
   73    HG   LEU  10           HG       LEU  10  -6.891   7.260   0.625
   74   HD11  LEU  10          HD11      LEU  10  -7.765   5.170   1.524
   75   HD12  LEU  10          HD12      LEU  10  -8.616   6.555   2.206
   76   HD13  LEU  10          HD13      LEU  10  -7.399   5.710   3.162
   77   HD21  LEU  10          HD21      LEU  10  -6.165   7.949   3.469
   78   HD22  LEU  10          HD22      LEU  10  -7.459   8.694   2.531
   79   HD23  LEU  10          HD23      LEU  10  -5.779   8.896   2.032
   80    H    CYS  11           HN       CYS  11  -2.971   6.725  -0.695
   81    HA   CYS  11           HA       CYS  11  -1.031   4.673   0.120
   82    HB2  CYS  11           HB2      CYS  11  -1.183   6.065  -2.556
   83    HB3  CYS  11           HB1      CYS  11   0.195   5.106  -2.024
   84    H    THR  12           HN       THR  12   1.191   5.403   0.306
   85    HA   THR  12           HA       THR  12   1.363   8.003   1.518
   86    HB   THR  12           HB       THR  12   3.740   7.237   1.983
   87    HG1  THR  12           HG1      THR  12   2.920   4.622   1.450
   88   HG21  THR  12          HG21      THR  12   1.969   7.048   3.678
   89   HG22  THR  12          HG22      THR  12   3.055   5.660   3.756
   90   HG23  THR  12          HG23      THR  12   1.473   5.500   2.991
   91    H    LYS  13           HN       LYS  13   3.119   6.280  -1.016
   92    HA   LYS  13           HA       LYS  13   3.583   8.787  -2.452
   93    HB2  LYS  13           HB2      LYS  13   5.758   6.886  -1.574
   94    HB3  LYS  13           HB1      LYS  13   5.978   8.025  -2.894
   95    HG2  LYS  13           HG2      LYS  13   5.557   9.883  -1.372
   96    HG3  LYS  13           HG1      LYS  13   5.315   8.747  -0.045
   97    HD2  LYS  13           HD2      LYS  13   7.618   7.952  -0.313
   98    HD3  LYS  13           HD1      LYS  13   7.856   9.096  -1.635
   99    HE2  LYS  13           HE2      LYS  13   7.440  10.955  -0.099
  100    HE3  LYS  13           HE1      LYS  13   7.195   9.811   1.221
  101    HZ1  LYS  13           HZ1      LYS  13   9.481   9.074   0.958
  102    HZ2  LYS  13           HZ2      LYS  13   9.425  10.739   1.253
  103    HZ3  LYS  13           HZ3      LYS  13   9.715  10.167  -0.312
  104    H    SER  14           HN       SER  14   2.751   5.549  -2.442
  105    HA   SER  14           HA       SER  14   2.022   4.104  -4.012
  106    HB2  SER  14           HB2      SER  14   2.603   6.277  -6.028
  107    HB3  SER  14           HB1      SER  14   1.746   4.776  -6.376
  108    HG   SER  14           HG       SER  14   0.024   5.738  -5.689
  109    H    ILE  15           HN       ILE  15   5.001   5.721  -4.953
  110    HA   ILE  15           HA       ILE  15   6.232   3.117  -5.371
  111    HB   ILE  15           HB       ILE  15   5.435   3.833  -7.607
  112   HG12  ILE  15          HG12      ILE  15   7.858   3.861  -8.701
  113   HG13  ILE  15          HG11      ILE  15   8.342   3.441  -7.062
  114   HG21  ILE  15          HG21      ILE  15   6.497   5.696  -8.795
  115   HG22  ILE  15          HG22      ILE  15   7.319   6.164  -7.307
  116   HG23  ILE  15          HG23      ILE  15   5.560   6.235  -7.401
  117   HD11  ILE  15          HD11      ILE  15   8.076   1.434  -8.326
  118   HD12  ILE  15          HD12      ILE  15   6.465   1.919  -8.854
  119   HD13  ILE  15          HD13      ILE  15   6.757   1.526  -7.160
  120    HA   PRO  16           HA       PRO  16   7.889   2.131  -5.237
  121    HB2  PRO  16           HB2      PRO  16  10.233   1.353  -4.027
  122    HB3  PRO  16           HB1      PRO  16  10.107   1.958  -5.686
  123    HG2  PRO  16           HG2      PRO  16  11.409   3.194  -3.461
  124    HG3  PRO  16           HG1      PRO  16  11.283   3.782  -5.128
  125    HD2  PRO  16           HD2      PRO  16   9.680   4.518  -2.755
  126    HD3  PRO  16           HD1      PRO  16  10.008   5.447  -4.233
  127    HA   PRO  17           HA       PRO  17   7.556   1.139  -0.505
  128    HB2  PRO  17           HB2      PRO  17   5.594   3.036   0.455
  129    HB3  PRO  17           HB1      PRO  17   7.277   2.852   0.974
  130    HG2  PRO  17           HG2      PRO  17   6.353   5.057  -0.346
  131    HG3  PRO  17           HG1      PRO  17   8.037   4.496  -0.432
  132    HD2  PRO  17           HD2      PRO  17   5.794   4.008  -2.367
  133    HD3  PRO  17           HD1      PRO  17   7.466   4.514  -2.691
  134    H    ILE  18           HN       ILE  18   4.681   1.794   0.592
  135    HA   ILE  18           HA       ILE  18   3.150   0.062  -1.231
  136    HB   ILE  18           HB       ILE  18   2.616  -0.182   1.703
  137   HG12  ILE  18          HG12      ILE  18   4.278  -2.288   1.446
  138   HG13  ILE  18          HG11      ILE  18   5.112  -1.133   0.408
  139   HG21  ILE  18          HG21      ILE  18   1.156  -1.306   0.126
  140   HG22  ILE  18          HG22      ILE  18   2.040  -2.492   1.087
  141   HG23  ILE  18          HG23      ILE  18   2.530  -2.162  -0.575
  142   HD11  ILE  18          HD11      ILE  18   5.185   0.464   2.248
  143   HD12  ILE  18          HD12      ILE  18   5.964  -1.058   2.678
  144   HD13  ILE  18          HD13      ILE  18   4.349  -0.691   3.283
  Start of MODEL   12
    1    H    CYS   1           HN       CYS   1   1.320  -0.126  -1.629
    2    HA   CYS   1           HA       CYS   1  -0.026   2.413  -1.208
    3    HB2  CYS   1           HB2      CYS   1   1.855   3.115  -2.575
    4    HB3  CYS   1           HB1      CYS   1   1.562   1.812  -3.716
    5    H    LYS   2           HN       LYS   2  -2.104   2.298  -1.748
    6    HA   LYS   2           HA       LYS   2  -4.116   1.592  -2.495
    7    HB2  LYS   2           HB2      LYS   2  -2.459   0.268  -4.645
    8    HB3  LYS   2           HB1      LYS   2  -4.213   0.176  -4.606
    9    HG2  LYS   2           HG2      LYS   2  -4.346   2.613  -4.756
   10    HG3  LYS   2           HG1      LYS   2  -2.583   2.703  -4.794
   11    HD2  LYS   2           HD2      LYS   2  -2.566   1.397  -6.866
   12    HD3  LYS   2           HD1      LYS   2  -4.327   1.309  -6.826
   13    HE2  LYS   2           HE2      LYS   2  -4.449   3.748  -6.989
   14    HE3  LYS   2           HE1      LYS   2  -2.687   3.834  -7.030
   15    HZ1  LYS   2           HZ1      LYS   2  -3.634   3.981  -9.247
   16    HZ2  LYS   2           HZ2      LYS   2  -4.400   2.486  -9.050
   17    HZ3  LYS   2           HZ3      LYS   2  -2.711   2.571  -9.091
   18    H    ARG   3           HN       ARG   3  -5.246   0.340  -1.245
   19    HA   ARG   3           HA       ARG   3  -4.576  -2.517  -1.049
   20    HB2  ARG   3           HB2      ARG   3  -4.272  -0.689   1.020
   21    HB3  ARG   3           HB1      ARG   3  -5.823  -1.443   1.360
   22    HG2  ARG   3           HG2      ARG   3  -4.759  -3.651   1.268
   23    HG3  ARG   3           HG1      ARG   3  -3.205  -2.877   0.958
   24    HD2  ARG   3           HD2      ARG   3  -3.227  -3.349   3.266
   25    HD3  ARG   3           HD1      ARG   3  -3.551  -1.622   3.131
   26    HE   ARG   3           HE       ARG   3  -5.983  -3.060   3.211
   27   HH11  ARG   3          HH11      ARG   3  -3.364  -2.069   5.332
   28   HH12  ARG   3          HH12      ARG   3  -4.357  -2.076   6.751
   29   HH21  ARG   3          HH21      ARG   3  -7.263  -3.063   5.082
   30   HH22  ARG   3          HH22      ARG   3  -6.562  -2.638   6.608
   31    HA   PRO   4           HA       PRO   4  -8.842  -2.529  -2.712
   32    HB2  PRO   4           HB2      PRO   4  -8.447  -5.454  -2.298
   33    HB3  PRO   4           HB1      PRO   4  -9.034  -4.579  -3.722
   34    HG2  PRO   4           HG2      PRO   4  -6.580  -5.587  -3.651
   35    HG3  PRO   4           HG1      PRO   4  -6.933  -4.043  -4.450
   36    HD2  PRO   4           HD2      PRO   4  -5.571  -4.552  -1.856
   37    HD3  PRO   4           HD1      PRO   4  -5.314  -3.258  -3.040
   38    HA   PRO   5           HA       PRO   5 -10.798  -4.712   1.077
   39    HB2  PRO   5           HB2      PRO   5  -8.852  -5.525   3.046
   40    HB3  PRO   5           HB1      PRO   5  -9.915  -6.554   2.072
   41    HG2  PRO   5           HG2      PRO   5  -7.200  -6.503   1.815
   42    HG3  PRO   5           HG1      PRO   5  -8.317  -6.970   0.518
   43    HD2  PRO   5           HD2      PRO   5  -6.935  -4.351   0.963
   44    HD3  PRO   5           HD1      PRO   5  -7.195  -5.249  -0.545
   45    H    GLY   6           HN       GLY   6 -11.642  -2.829   1.779
   46    HA2  GLY   6           HA2      GLY   6 -11.133  -1.831   4.303
   47    HA3  GLY   6           HA1      GLY   6 -10.206  -0.827   3.195
   48    H    PHE   7           HN       PHE   7 -11.221   0.620   1.907
   49    HA   PHE   7           HA       PHE   7 -14.094   0.710   1.662
   50    HB2  PHE   7           HB2      PHE   7 -12.602   2.796   3.248
   51    HB3  PHE   7           HB1      PHE   7 -14.149   3.141   2.482
   52    HD1  PHE   7           HD1      PHE   7 -16.186   1.928   3.222
   53    HD2  PHE   7           HD2      PHE   7 -12.467   1.564   5.264
   54    HE1  PHE   7           HE1      PHE   7 -17.358   1.029   5.190
   55    HE2  PHE   7           HE2      PHE   7 -13.634   0.662   7.233
   56    HZ   PHE   7           HZ       PHE   7 -16.082   0.394   7.197
   57    H    SER   8           HN       SER   8 -11.154   2.615   1.266
   58    HA   SER   8           HA       SER   8 -11.765   2.979  -1.565
   59    HB2  SER   8           HB2      SER   8 -11.260   5.197   0.435
   60    HB3  SER   8           HB1      SER   8 -10.985   5.436  -1.291
   61    HG   SER   8           HG       SER   8 -13.435   4.397  -0.384
   62    HA   PRO   9           HA       PRO   9  -7.300   2.386  -1.852
   63    HB2  PRO   9           HB2      PRO   9  -6.761   4.207  -4.028
   64    HB3  PRO   9           HB1      PRO   9  -7.013   2.455  -4.108
   65    HG2  PRO   9           HG2      PRO   9  -8.731   4.251  -5.198
   66    HG3  PRO   9           HG1      PRO   9  -9.227   2.653  -4.607
   67    HD2  PRO   9           HD2      PRO   9  -9.405   5.311  -3.230
   68    HD3  PRO   9           HD1      PRO   9 -10.642   4.039  -3.380
   69    H    LEU  10           HN       LEU  10  -5.773   3.035  -0.505
   70    HA   LEU  10           HA       LEU  10  -4.962   5.861  -0.451
   71    HB2  LEU  10           HB2      LEU  10  -5.507   4.097   1.939
   72    HB3  LEU  10           HB1      LEU  10  -4.617   5.604   2.037
   73    HG   LEU  10           HG       LEU  10  -6.819   6.563   0.894
   74   HD11  LEU  10          HD11      LEU  10  -8.813   5.463   1.779
   75   HD12  LEU  10          HD12      LEU  10  -7.813   4.163   2.428
   76   HD13  LEU  10          HD13      LEU  10  -7.926   4.403   0.684
   77   HD21  LEU  10          HD21      LEU  10  -7.630   7.120   3.144
   78   HD22  LEU  10          HD22      LEU  10  -5.885   7.326   2.998
   79   HD23  LEU  10          HD23      LEU  10  -6.539   5.914   3.826
   80    H    CYS  11           HN       CYS  11  -2.781   6.238  -0.064
   81    HA   CYS  11           HA       CYS  11  -1.052   3.868   0.145
   82    HB2  CYS  11           HB2      CYS  11  -0.578   6.221  -1.696
   83    HB3  CYS  11           HB1      CYS  11   0.491   4.838  -1.492
   84    H    THR  12           HN       THR  12   0.955   4.154   1.126
   85    HA   THR  12           HA       THR  12   1.086   6.332   3.022
   86    HB   THR  12           HB       THR  12   3.057   4.964   3.885
   87    HG1  THR  12           HG1      THR  12   2.035   2.737   2.580
   88   HG21  THR  12          HG21      THR  12   1.618   3.282   4.971
   89   HG22  THR  12          HG22      THR  12   0.338   3.631   3.807
   90   HG23  THR  12          HG23      THR  12   0.843   4.867   4.960
   91    H    LYS  13           HN       LYS  13   3.571   4.670   1.152
   92    HA   LYS  13           HA       LYS  13   4.539   7.116  -0.070
   93    HB2  LYS  13           HB2      LYS  13   6.140   5.604   1.988
   94    HB3  LYS  13           HB1      LYS  13   6.937   6.522   0.721
   95    HG2  LYS  13           HG2      LYS  13   5.809   8.552   1.484
   96    HG3  LYS  13           HG1      LYS  13   5.009   7.626   2.756
   97    HD2  LYS  13           HD2      LYS  13   7.196   7.058   3.711
   98    HD3  LYS  13           HD1      LYS  13   7.990   7.993   2.442
   99    HE2  LYS  13           HE2      LYS  13   7.927   9.402   4.331
  100    HE3  LYS  13           HE1      LYS  13   6.655   9.983   3.260
  101    HZ1  LYS  13           HZ1      LYS  13   5.034   8.784   4.600
  102    HZ2  LYS  13           HZ2      LYS  13   5.899   9.884   5.549
  103    HZ3  LYS  13           HZ3      LYS  13   6.259   8.233   5.629
  104    H    SER  14           HN       SER  14   3.789   3.956  -0.255
  105    HA   SER  14           HA       SER  14   3.923   2.368  -1.850
  106    HB2  SER  14           HB2      SER  14   5.627   4.324  -3.399
  107    HB3  SER  14           HB1      SER  14   4.990   2.808  -4.037
  108    HG   SER  14           HG       SER  14   3.596   5.139  -3.276
  109    H    ILE  15           HN       ILE  15   7.053   3.856  -1.267
  110    HA   ILE  15           HA       ILE  15   8.178   1.280  -0.546
  111    HB   ILE  15           HB       ILE  15   8.586   1.407  -2.989
  112   HG12  ILE  15          HG12      ILE  15  11.207   1.324  -2.845
  113   HG13  ILE  15          HG11      ILE  15  10.923   1.443  -1.114
  114   HG21  ILE  15          HG21      ILE  15  10.153   3.032  -3.944
  115   HG22  ILE  15          HG22      ILE  15  10.189   3.889  -2.404
  116   HG23  ILE  15          HG23      ILE  15   8.689   3.795  -3.325
  117   HD11  ILE  15          HD11      ILE  15   9.968  -0.714  -2.980
  118   HD12  ILE  15          HD12      ILE  15   9.455  -0.567  -1.299
  119   HD13  ILE  15          HD13      ILE  15  11.151  -0.858  -1.680
  120    HA   PRO  16           HA       PRO  16  10.061   0.435   0.698
  121    HB2  PRO  16           HB2      PRO  16   9.888   0.920   3.615
  122    HB3  PRO  16           HB1      PRO  16  11.099   0.018   2.685
  123    HG2  PRO  16           HG2      PRO  16  11.702   2.365   3.717
  124    HG3  PRO  16           HG1      PRO  16  12.267   1.916   2.094
  125    HD2  PRO  16           HD2      PRO  16   9.979   3.690   2.863
  126    HD3  PRO  16           HD1      PRO  16  11.221   3.933   1.616
  127    HA   PRO  17           HA       PRO  17   5.945  -0.045   3.419
  128    HB2  PRO  17           HB2      PRO  17   4.140   2.010   3.086
  129    HB3  PRO  17           HB1      PRO  17   5.260   1.885   4.455
  130    HG2  PRO  17           HG2      PRO  17   5.553   3.467   1.927
  131    HG3  PRO  17           HG1      PRO  17   5.854   3.971   3.606
  132    HD2  PRO  17           HD2      PRO  17   7.872   3.285   2.036
  133    HD3  PRO  17           HD1      PRO  17   7.851   2.793   3.740
  134    H    ILE  18           HN       ILE  18   3.334   0.977   2.193
  135    HA   ILE  18           HA       ILE  18   3.536  -0.361  -0.417
  136    HB   ILE  18           HB       ILE  18   2.624  -1.729   1.621
  137   HG12  ILE  18          HG12      ILE  18   0.786  -2.683  -0.079
  138   HG13  ILE  18          HG11      ILE  18   1.681  -1.661  -1.196
  139   HG21  ILE  18          HG21      ILE  18   0.968  -0.166   2.415
  140   HG22  ILE  18          HG22      ILE  18   0.191  -1.659   1.885
  141   HG23  ILE  18          HG23      ILE  18   0.132  -0.223   0.863
  142   HD11  ILE  18          HD11      ILE  18   2.830  -3.875   0.486
  143   HD12  ILE  18          HD12      ILE  18   3.741  -2.844  -0.618
  144   HD13  ILE  18          HD13      ILE  18   2.507  -3.936  -1.247
  Start of MODEL   13
    1    H    CYS   1           HN       CYS   1   1.020   0.194   1.198
    2    HA   CYS   1           HA       CYS   1   0.063   2.923   0.962
    3    HB2  CYS   1           HB2      CYS   1  -1.699   0.626   0.050
    4    HB3  CYS   1           HB1      CYS   1  -2.092   2.340   0.007
    5    H    LYS   2           HN       LYS   2  -2.326   0.581   1.603
    6    HA   LYS   2           HA       LYS   2  -1.803   0.398   4.464
    7    HB2  LYS   2           HB2      LYS   2  -4.306   1.606   3.268
    8    HB3  LYS   2           HB1      LYS   2  -4.235   0.994   4.914
    9    HG2  LYS   2           HG2      LYS   2  -2.459   2.617   5.423
   10    HG3  LYS   2           HG1      LYS   2  -2.589   3.248   3.780
   11    HD2  LYS   2           HD2      LYS   2  -4.921   3.860   4.200
   12    HD3  LYS   2           HD1      LYS   2  -4.797   3.220   5.839
   13    HE2  LYS   2           HE2      LYS   2  -3.054   4.866   6.342
   14    HE3  LYS   2           HE1      LYS   2  -3.191   5.509   4.707
   15    HZ1  LYS   2           HZ1      LYS   2  -5.348   5.500   6.749
   16    HZ2  LYS   2           HZ2      LYS   2  -5.484   6.114   5.178
   17    HZ3  LYS   2           HZ3      LYS   2  -4.433   6.846   6.283
   18    H    ARG   3           HN       ARG   3  -3.695  -0.433   1.671
   19    HA   ARG   3           HA       ARG   3  -3.777  -3.237   2.396
   20    HB2  ARG   3           HB2      ARG   3  -6.239  -1.508   2.163
   21    HB3  ARG   3           HB1      ARG   3  -6.318  -3.214   1.759
   22    HG2  ARG   3           HG2      ARG   3  -5.564  -3.781   4.018
   23    HG3  ARG   3           HG1      ARG   3  -5.503  -2.063   4.418
   24    HD2  ARG   3           HD2      ARG   3  -7.903  -1.876   3.990
   25    HD3  ARG   3           HD1      ARG   3  -7.965  -3.589   3.575
   26    HE   ARG   3           HE       ARG   3  -6.879  -3.305   6.150
   27   HH11  ARG   3          HH11      ARG   3  -9.967  -2.944   4.517
   28   HH12  ARG   3          HH12      ARG   3 -10.890  -3.287   5.941
   29   HH21  ARG   3          HH21      ARG   3  -8.108  -3.752   8.002
   30   HH22  ARG   3          HH22      ARG   3  -9.838  -3.744   7.912
   31    HA   PRO   4           HA       PRO   4  -3.285  -4.040  -1.988
   32    HB2  PRO   4           HB2      PRO   4  -5.912  -5.487  -1.964
   33    HB3  PRO   4           HB1      PRO   4  -4.347  -6.003  -2.628
   34    HG2  PRO   4           HG2      PRO   4  -5.173  -7.006  -0.355
   35    HG3  PRO   4           HG1      PRO   4  -3.475  -6.516  -0.547
   36    HD2  PRO   4           HD2      PRO   4  -5.678  -5.145   0.922
   37    HD3  PRO   4           HD1      PRO   4  -3.958  -5.277   1.334
   38    HA   PRO   5           HA       PRO   5  -5.425  -1.007  -4.474
   39    HB2  PRO   5           HB2      PRO   5  -5.807  -3.069  -6.597
   40    HB3  PRO   5           HB1      PRO   5  -5.068  -1.460  -6.705
   41    HG2  PRO   5           HG2      PRO   5  -3.553  -3.612  -6.725
   42    HG3  PRO   5           HG1      PRO   5  -3.060  -2.165  -5.820
   43    HD2  PRO   5           HD2      PRO   5  -4.198  -4.730  -4.798
   44    HD3  PRO   5           HD1      PRO   5  -2.929  -3.698  -4.108
   45    H    GLY   6           HN       GLY   6  -7.408  -0.260  -4.268
   46    HA2  GLY   6           HA2      GLY   6  -9.714  -1.919  -4.953
   47    HA3  GLY   6           HA1      GLY   6  -9.635  -1.293  -3.311
   48    H    PHE   7           HN       PHE   7 -10.423   0.672  -2.916
   49    HA   PHE   7           HA       PHE   7 -10.521   2.741  -4.924
   50    HB2  PHE   7           HB2      PHE   7 -12.615   1.170  -5.174
   51    HB3  PHE   7           HB1      PHE   7 -13.192   2.034  -3.755
   52    HD1  PHE   7           HD1      PHE   7 -13.811   4.366  -3.884
   53    HD2  PHE   7           HD2      PHE   7 -12.387   2.284  -7.312
   54    HE1  PHE   7           HE1      PHE   7 -14.631   6.185  -5.325
   55    HE2  PHE   7           HE2      PHE   7 -13.203   4.099  -8.759
   56    HZ   PHE   7           HZ       PHE   7 -14.326   6.052  -7.766
   57    H    SER   8           HN       SER   8 -11.144   1.611  -1.703
   58    HA   SER   8           HA       SER   8 -11.532   4.304  -0.663
   59    HB2  SER   8           HB2      SER   8 -11.634   1.643   0.771
   60    HB3  SER   8           HB1      SER   8 -12.035   3.207   1.476
   61    HG   SER   8           HG       SER   8 -13.331   2.082  -0.784
   62    HA   PRO   9           HA       PRO   9  -7.452   2.884   1.708
   63    HB2  PRO   9           HB2      PRO   9  -6.108   1.267  -0.376
   64    HB3  PRO   9           HB1      PRO   9  -6.253   0.965   1.365
   65    HG2  PRO   9           HG2      PRO   9  -7.602  -0.504  -0.374
   66    HG3  PRO   9           HG1      PRO   9  -8.329  -0.012   1.170
   67    HD2  PRO   9           HD2      PRO   9  -8.743   1.154  -1.559
   68    HD3  PRO   9           HD1      PRO   9  -9.941   0.771  -0.307
   69    H    LEU  10           HN       LEU  10  -5.750   4.240   1.694
   70    HA   LEU  10           HA       LEU  10  -5.246   5.783  -0.747
   71    HB2  LEU  10           HB2      LEU  10  -4.579   6.307   2.154
   72    HB3  LEU  10           HB1      LEU  10  -4.053   7.340   0.839
   73    HG   LEU  10           HG       LEU  10  -6.654   7.421   0.320
   74   HD11  LEU  10          HD11      LEU  10  -6.565   6.891   3.288
   75   HD12  LEU  10          HD12      LEU  10  -7.299   5.851   2.066
   76   HD13  LEU  10          HD13      LEU  10  -7.969   7.452   2.381
   77   HD21  LEU  10          HD21      LEU  10  -5.300   8.995   2.505
   78   HD22  LEU  10          HD22      LEU  10  -6.776   9.468   1.665
   79   HD23  LEU  10          HD23      LEU  10  -5.256   9.351   0.778
   80    H    CYS  11           HN       CYS  11  -2.981   6.406  -1.242
   81    HA   CYS  11           HA       CYS  11  -1.038   4.363  -0.400
   82    HB2  CYS  11           HB2      CYS  11  -1.666   5.282  -3.197
   83    HB3  CYS  11           HB1      CYS  11  -0.142   4.499  -2.790
   84    H    THR  12           HN       THR  12   1.182   4.927  -0.572
   85    HA   THR  12           HA       THR  12   1.710   7.701  -0.003
   86    HB   THR  12           HB       THR  12   4.032   6.805   0.461
   87    HG1  THR  12           HG1      THR  12   2.976   4.225   0.583
   88   HG21  THR  12          HG21      THR  12   1.746   5.537   1.987
   89   HG22  THR  12          HG22      THR  12   2.413   7.142   2.284
   90   HG23  THR  12          HG23      THR  12   3.398   5.709   2.580
   91    H    LYS  13           HN       LYS  13   3.363   5.287  -1.979
   92    HA   LYS  13           HA       LYS  13   3.498   7.048  -4.282
   93    HB2  LYS  13           HB2      LYS  13   5.939   6.213  -2.730
   94    HB3  LYS  13           HB1      LYS  13   6.038   6.542  -4.451
   95    HG2  LYS  13           HG2      LYS  13   5.196   8.809  -4.060
   96    HG3  LYS  13           HG1      LYS  13   5.118   8.472  -2.329
   97    HD2  LYS  13           HD2      LYS  13   7.534   8.096  -2.290
   98    HD3  LYS  13           HD1      LYS  13   7.615   8.409  -4.024
   99    HE2  LYS  13           HE2      LYS  13   6.794  10.686  -3.645
  100    HE3  LYS  13           HE1      LYS  13   6.722  10.369  -1.912
  101    HZ1  LYS  13           HZ1      LYS  13   8.732  11.561  -2.511
  102    HZ2  LYS  13           HZ2      LYS  13   9.182  10.326  -3.575
  103    HZ3  LYS  13           HZ3      LYS  13   9.113  10.025  -1.912
  104    H    SER  14           HN       SER  14   3.047   4.080  -2.971
  105    HA   SER  14           HA       SER  14   2.598   2.028  -3.792
  106    HB2  SER  14           HB2      SER  14   1.706   3.220  -5.808
  107    HB3  SER  14           HB1      SER  14   3.288   3.018  -6.560
  108    HG   SER  14           HG       SER  14   2.109   0.731  -5.512
  109    H    ILE  15           HN       ILE  15   5.533   3.443  -5.078
  110    HA   ILE  15           HA       ILE  15   7.097   1.189  -4.183
  111    HB   ILE  15           HB       ILE  15   6.350   0.402  -6.412
  112   HG12  ILE  15          HG12      ILE  15   8.737   0.174  -7.464
  113   HG13  ILE  15          HG11      ILE  15   9.267   0.943  -5.975
  114   HG21  ILE  15          HG21      ILE  15   7.140   1.462  -8.478
  115   HG22  ILE  15          HG22      ILE  15   7.776   2.808  -7.532
  116   HG23  ILE  15          HG23      ILE  15   6.040   2.498  -7.568
  117   HD11  ILE  15          HD11      ILE  15   9.465  -1.396  -5.674
  118   HD12  ILE  15          HD12      ILE  15   7.838  -1.682  -6.291
  119   HD13  ILE  15          HD13      ILE  15   8.062  -0.884  -4.735
  120    HA   PRO  16           HA       PRO  16   9.449   0.688  -3.785
  121    HB2  PRO  16           HB2      PRO  16  10.586   2.184  -1.492
  122    HB3  PRO  16           HB1      PRO  16  11.321   0.918  -2.495
  123    HG2  PRO  16           HG2      PRO  16  12.089   3.421  -2.762
  124    HG3  PRO  16           HG1      PRO  16  11.871   2.386  -4.192
  125    HD2  PRO  16           HD2      PRO  16  10.044   4.493  -3.101
  126    HD3  PRO  16           HD1      PRO  16  10.522   4.179  -4.783
  127    HA   PRO  17           HA       PRO  17   7.170   1.451   0.561
  128    HB2  PRO  17           HB2      PRO  17   5.228   3.409   0.450
  129    HB3  PRO  17           HB1      PRO  17   6.856   3.661   1.111
  130    HG2  PRO  17           HG2      PRO  17   5.817   4.312  -1.620
  131    HG3  PRO  17           HG1      PRO  17   6.824   5.302  -0.540
  132    HD2  PRO  17           HD2      PRO  17   7.920   3.986  -2.560
  133    HD3  PRO  17           HD1      PRO  17   8.743   4.072  -0.989
  134    H    ILE  18           HN       ILE  18   4.465   1.722   0.939
  135    HA   ILE  18           HA       ILE  18   3.197   0.147  -1.203
  136    HB   ILE  18           HB       ILE  18   2.587  -0.394   1.709
  137   HG12  ILE  18          HG12      ILE  18   4.305  -2.393   0.402
  138   HG13  ILE  18          HG11      ILE  18   5.108  -0.858   0.715
  139   HG21  ILE  18          HG21      ILE  18   0.976  -1.228   0.076
  140   HG22  ILE  18          HG22      ILE  18   1.807  -2.571   0.859
  141   HG23  ILE  18          HG23      ILE  18   2.257  -2.090  -0.777
  142   HD11  ILE  18          HD11      ILE  18   3.695  -2.564   2.753
  143   HD12  ILE  18          HD12      ILE  18   4.486  -1.020   3.072
  144   HD13  ILE  18          HD13      ILE  18   5.440  -2.410   2.547
  Start of MODEL   14
    1    H    CYS   1           HN       CYS   1   0.995  -0.394  -0.932
    2    HA   CYS   1           HA       CYS   1  -0.947   1.755  -0.611
    3    HB2  CYS   1           HB2      CYS   1   0.357   1.292  -3.112
    4    HB3  CYS   1           HB1      CYS   1  -1.328   0.809  -3.269
    5    H    LYS   2           HN       LYS   2  -3.113   1.124  -0.864
    6    HA   LYS   2           HA       LYS   2  -4.927  -0.192  -0.590
    7    HB2  LYS   2           HB2      LYS   2  -3.304  -2.239  -2.120
    8    HB3  LYS   2           HB1      LYS   2  -5.016  -2.391  -1.752
    9    HG2  LYS   2           HG2      LYS   2  -5.430  -0.316  -3.046
   10    HG3  LYS   2           HG1      LYS   2  -3.722  -0.291  -3.484
   11    HD2  LYS   2           HD2      LYS   2  -3.968  -2.475  -4.563
   12    HD3  LYS   2           HD1      LYS   2  -5.675  -2.506  -4.118
   13    HE2  LYS   2           HE2      LYS   2  -6.061  -0.501  -5.465
   14    HE3  LYS   2           HE1      LYS   2  -4.354  -0.467  -5.906
   15    HZ1  LYS   2           HZ1      LYS   2  -4.630  -2.611  -6.988
   16    HZ2  LYS   2           HZ2      LYS   2  -5.695  -1.472  -7.643
   17    HZ3  LYS   2           HZ3      LYS   2  -6.268  -2.641  -6.564
   18    H    ARG   3           HN       ARG   3  -5.383  -0.670   1.412
   19    HA   ARG   3           HA       ARG   3  -4.019  -2.935   2.689
   20    HB2  ARG   3           HB2      ARG   3  -4.549  -0.223   3.874
   21    HB3  ARG   3           HB1      ARG   3  -4.330  -1.638   4.891
   22    HG2  ARG   3           HG2      ARG   3  -2.114  -1.994   3.889
   23    HG3  ARG   3           HG1      ARG   3  -2.339  -0.539   2.916
   24    HD2  ARG   3           HD2      ARG   3  -2.512   0.803   4.945
   25    HD3  ARG   3           HD1      ARG   3  -2.329  -0.648   5.930
   26    HE   ARG   3           HE       ARG   3  -0.143  -0.361   4.147
   27   HH11  ARG   3          HH11      ARG   3  -1.402   0.952   7.151
   28   HH12  ARG   3          HH12      ARG   3   0.160   1.424   7.733
   29   HH21  ARG   3          HH21      ARG   3   1.890   0.265   4.928
   30   HH22  ARG   3          HH22      ARG   3   2.021   1.035   6.475
   31    HA   PRO   4           HA       PRO   4  -8.510  -2.643   4.656
   32    HB2  PRO   4           HB2      PRO   4 -10.352  -1.214   3.177
   33    HB3  PRO   4           HB1      PRO   4  -9.496  -0.569   4.590
   34    HG2  PRO   4           HG2      PRO   4  -8.904  -0.190   1.695
   35    HG3  PRO   4           HG1      PRO   4  -8.862   0.990   3.021
   36    HD2  PRO   4           HD2      PRO   4  -6.618  -0.096   2.067
   37    HD3  PRO   4           HD1      PRO   4  -6.814   0.257   3.795
   38    HA   PRO   5           HA       PRO   5 -10.060  -5.858   1.954
   39    HB2  PRO   5           HB2      PRO   5 -12.862  -5.333   2.725
   40    HB3  PRO   5           HB1      PRO   5 -11.875  -6.782   2.991
   41    HG2  PRO   5           HG2      PRO   5 -12.535  -5.187   5.009
   42    HG3  PRO   5           HG1      PRO   5 -10.942  -5.970   4.926
   43    HD2  PRO   5           HD2      PRO   5 -11.688  -3.146   4.267
   44    HD3  PRO   5           HD1      PRO   5 -10.284  -3.763   5.162
   45    H    GLY   6           HN       GLY   6 -11.324  -2.684   1.597
   46    HA2  GLY   6           HA2      GLY   6 -11.307  -2.249  -0.981
   47    HA3  GLY   6           HA1      GLY   6 -12.688  -3.332  -0.917
   48    H    PHE   7           HN       PHE   7 -11.432  -0.229   0.190
   49    HA   PHE   7           HA       PHE   7 -14.184   0.772   0.319
   50    HB2  PHE   7           HB2      PHE   7 -12.997   0.366   2.603
   51    HB3  PHE   7           HB1      PHE   7 -12.089   1.817   2.198
   52    HD1  PHE   7           HD1      PHE   7 -15.354   0.471   3.131
   53    HD2  PHE   7           HD2      PHE   7 -13.162   3.986   2.156
   54    HE1  PHE   7           HE1      PHE   7 -17.184   1.853   4.021
   55    HE2  PHE   7           HE2      PHE   7 -14.988   5.376   3.044
   56    HZ   PHE   7           HZ       PHE   7 -17.002   4.310   3.979
   57    H    SER   8           HN       SER   8 -10.853   1.966   0.467
   58    HA   SER   8           HA       SER   8 -11.228   3.546  -1.921
   59    HB2  SER   8           HB2      SER   8 -10.709   4.836   0.779
   60    HB3  SER   8           HB1      SER   8 -10.431   5.668  -0.751
   61    HG   SER   8           HG       SER   8 -12.756   4.961  -1.143
   62    HA   PRO   9           HA       PRO   9  -6.777   2.749  -1.998
   63    HB2  PRO   9           HB2      PRO   9  -5.977   4.936  -3.644
   64    HB3  PRO   9           HB1      PRO   9  -6.478   3.325  -4.183
   65    HG2  PRO   9           HG2      PRO   9  -7.860   5.644  -4.718
   66    HG3  PRO   9           HG1      PRO   9  -8.565   4.015  -4.732
   67    HD2  PRO   9           HD2      PRO   9  -8.613   6.079  -2.558
   68    HD3  PRO   9           HD1      PRO   9  -9.931   5.045  -3.157
   69    H    LEU  10           HN       LEU  10  -5.103   3.038  -0.670
   70    HA   LEU  10           HA       LEU  10  -4.393   5.745   0.228
   71    HB2  LEU  10           HB2      LEU  10  -4.767   3.325   1.996
   72    HB3  LEU  10           HB1      LEU  10  -3.963   4.793   2.515
   73    HG   LEU  10           HG       LEU  10  -6.266   5.888   1.741
   74   HD11  LEU  10          HD11      LEU  10  -7.043   3.089   2.551
   75   HD12  LEU  10          HD12      LEU  10  -7.250   3.804   0.952
   76   HD13  LEU  10          HD13      LEU  10  -8.150   4.444   2.327
   77   HD21  LEU  10          HD21      LEU  10  -7.008   5.734   4.075
   78   HD22  LEU  10          HD22      LEU  10  -5.284   6.087   3.952
   79   HD23  LEU  10          HD23      LEU  10  -5.824   4.459   4.359
   80    H    CYS  11           HN       CYS  11  -2.230   6.128   0.467
   81    HA   CYS  11           HA       CYS  11  -0.401   3.860   0.098
   82    HB2  CYS  11           HB2      CYS  11  -0.848   5.979  -1.759
   83    HB3  CYS  11           HB1      CYS  11   0.775   6.161  -1.104
   84    H    THR  12           HN       THR  12   0.196   3.773   2.210
   85    HA   THR  12           HA       THR  12   1.397   6.133   3.452
   86    HB   THR  12           HB       THR  12   1.470   4.452   5.449
   87    HG1  THR  12           HG1      THR  12  -0.817   3.333   4.299
   88   HG21  THR  12          HG21      THR  12  -0.815   5.112   6.107
   89   HG22  THR  12          HG22      THR  12  -1.147   5.597   4.445
   90   HG23  THR  12          HG23      THR  12   0.061   6.465   5.391
   91    H    LYS  13           HN       LYS  13   3.439   5.919   4.549
   92    HA   LYS  13           HA       LYS  13   5.655   5.471   4.623
   93    HB2  LYS  13           HB2      LYS  13   4.679   2.661   4.073
   94    HB3  LYS  13           HB1      LYS  13   6.370   3.042   4.358
   95    HG2  LYS  13           HG2      LYS  13   5.805   3.910   6.572
   96    HG3  LYS  13           HG1      LYS  13   4.105   3.527   6.284
   97    HD2  LYS  13           HD2      LYS  13   4.679   1.157   6.066
   98    HD3  LYS  13           HD1      LYS  13   6.378   1.541   6.348
   99    HE2  LYS  13           HE2      LYS  13   5.810   2.397   8.570
  100    HE3  LYS  13           HE1      LYS  13   4.113   2.013   8.285
  101    HZ1  LYS  13           HZ1      LYS  13   4.711  -0.323   8.103
  102    HZ2  LYS  13           HZ2      LYS  13   5.198   0.302   9.597
  103    HZ3  LYS  13           HZ3      LYS  13   6.339   0.047   8.377
  104    H    SER  14           HN       SER  14   6.425   6.679   3.030
  105    HA   SER  14           HA       SER  14   6.376   5.785   0.269
  106    HB2  SER  14           HB2      SER  14   5.932   8.159   0.925
  107    HB3  SER  14           HB1      SER  14   7.622   8.293   1.413
  108    HG   SER  14           HG       SER  14   7.540   9.014  -0.661
  109    H    ILE  15           HN       ILE  15   8.334   4.917   2.736
  110    HA   ILE  15           HA       ILE  15  10.577   4.463   0.924
  111    HB   ILE  15           HB       ILE  15  11.222   6.478   2.099
  112   HG12  ILE  15          HG12      ILE  15  13.308   5.549   3.363
  113   HG13  ILE  15          HG11      ILE  15  12.749   3.985   2.783
  114   HG21  ILE  15          HG21      ILE  15   9.897   6.320   4.110
  115   HG22  ILE  15          HG22      ILE  15  11.596   6.562   4.521
  116   HG23  ILE  15          HG23      ILE  15  10.870   4.963   4.678
  117   HD11  ILE  15          HD11      ILE  15  13.447   6.360   1.067
  118   HD12  ILE  15          HD12      ILE  15  12.884   4.793   0.482
  119   HD13  ILE  15          HD13      ILE  15  14.436   4.920   1.311
  120    HA   PRO  16           HA       PRO  16  10.158   2.820  -0.159
  121    HB2  PRO  16           HB2      PRO  16   8.937   0.201  -0.441
  122    HB3  PRO  16           HB1      PRO  16  10.543   0.718  -0.979
  123    HG2  PRO  16           HG2      PRO  16  10.136  -1.105   0.999
  124    HG3  PRO  16           HG1      PRO  16  11.575  -0.072   0.883
  125    HD2  PRO  16           HD2      PRO  16   9.144   0.274   2.596
  126    HD3  PRO  16           HD1      PRO  16  10.856   0.502   3.011
  127    HA   PRO  17           HA       PRO  17   5.722   3.643  -0.296
  128    HB2  PRO  17           HB2      PRO  17   5.200   2.852  -3.031
  129    HB3  PRO  17           HB1      PRO  17   5.439   4.485  -2.384
  130    HG2  PRO  17           HG2      PRO  17   7.209   3.321  -4.081
  131    HG3  PRO  17           HG1      PRO  17   7.690   4.497  -2.840
  132    HD2  PRO  17           HD2      PRO  17   7.809   1.496  -2.735
  133    HD3  PRO  17           HD1      PRO  17   9.061   2.685  -2.300
  134    H    ILE  18           HN       ILE  18   3.814   2.795   0.202
  135    HA   ILE  18           HA       ILE  18   3.185   0.029  -0.584
  136    HB   ILE  18           HB       ILE  18   2.858   1.223   2.188
  137   HG12  ILE  18          HG12      ILE  18   5.129   0.454   1.825
  138   HG13  ILE  18          HG11      ILE  18   4.320  -0.647   2.927
  139   HG21  ILE  18          HG21      ILE  18   1.902  -0.927   2.902
  140   HG22  ILE  18          HG22      ILE  18   1.902  -1.474   1.225
  141   HG23  ILE  18          HG23      ILE  18   0.892  -0.112   1.707
  142   HD11  ILE  18          HD11      ILE  18   5.074  -1.108   0.052
  143   HD12  ILE  18          HD12      ILE  18   3.939  -2.149   0.909
  144   HD13  ILE  18          HD13      ILE  18   5.599  -1.994   1.484
  Start of MODEL   15
    1    H    CYS   1           HN       CYS   1   0.941  -0.470  -1.145
    2    HA   CYS   1           HA       CYS   1  -0.979   1.715  -0.973
    3    HB2  CYS   1           HB2      CYS   1  -0.128   0.556  -3.639
    4    HB3  CYS   1           HB1      CYS   1  -1.499   1.633  -3.399
    5    H    LYS   2           HN       LYS   2  -3.078   1.086  -1.018
    6    HA   LYS   2           HA       LYS   2  -4.901  -0.222  -0.732
    7    HB2  LYS   2           HB2      LYS   2  -3.516  -1.909  -2.823
    8    HB3  LYS   2           HB1      LYS   2  -5.151  -2.213  -2.252
    9    HG2  LYS   2           HG2      LYS   2  -5.824   0.014  -3.043
   10    HG3  LYS   2           HG1      LYS   2  -4.187   0.278  -3.648
   11    HD2  LYS   2           HD2      LYS   2  -4.422  -1.613  -5.163
   12    HD3  LYS   2           HD1      LYS   2  -6.037  -1.938  -4.530
   13    HE2  LYS   2           HE2      LYS   2  -6.808   0.223  -5.344
   14    HE3  LYS   2           HE1      LYS   2  -5.187   0.595  -5.932
   15    HZ1  LYS   2           HZ1      LYS   2  -5.357  -1.272  -7.459
   16    HZ2  LYS   2           HZ2      LYS   2  -6.620  -0.178  -7.715
   17    HZ3  LYS   2           HZ3      LYS   2  -6.910  -1.626  -6.892
   18    H    ARG   3           HN       ARG   3  -5.252  -1.128   1.149
   19    HA   ARG   3           HA       ARG   3  -3.957  -3.680   1.776
   20    HB2  ARG   3           HB2      ARG   3  -3.087  -1.406   2.993
   21    HB3  ARG   3           HB1      ARG   3  -4.339  -1.925   4.115
   22    HG2  ARG   3           HG2      ARG   3  -3.258  -4.117   4.296
   23    HG3  ARG   3           HG1      ARG   3  -1.990  -3.571   3.198
   24    HD2  ARG   3           HD2      ARG   3  -1.100  -3.317   5.363
   25    HD3  ARG   3           HD1      ARG   3  -1.562  -1.696   4.851
   26    HE   ARG   3           HE       ARG   3  -3.715  -2.791   6.243
   27   HH11  ARG   3          HH11      ARG   3  -0.427  -1.774   6.940
   28   HH12  ARG   3          HH12      ARG   3  -0.776  -1.384   8.591
   29   HH21  ARG   3          HH21      ARG   3  -4.149  -2.273   8.407
   30   HH22  ARG   3          HH22      ARG   3  -2.881  -1.667   9.420
   31    HA   PRO   4           HA       PRO   4  -8.128  -3.601   4.095
   32    HB2  PRO   4           HB2      PRO   4  -9.593  -1.168   3.850
   33    HB3  PRO   4           HB1      PRO   4  -8.762  -1.777   5.289
   34    HG2  PRO   4           HG2      PRO   4  -8.045   0.498   3.905
   35    HG3  PRO   4           HG1      PRO   4  -6.982  -0.418   4.990
   36    HD2  PRO   4           HD2      PRO   4  -7.141  -0.486   2.006
   37    HD3  PRO   4           HD1      PRO   4  -5.715  -0.552   3.062
   38    HA   PRO   5           HA       PRO   5 -10.465  -4.395   0.318
   39    HB2  PRO   5           HB2      PRO   5 -12.204  -6.223   1.282
   40    HB3  PRO   5           HB1      PRO   5 -10.490  -6.596   1.016
   41    HG2  PRO   5           HG2      PRO   5 -11.913  -5.986   3.556
   42    HG3  PRO   5           HG1      PRO   5 -10.629  -7.167   3.234
   43    HD2  PRO   5           HD2      PRO   5 -10.210  -4.707   4.393
   44    HD3  PRO   5           HD1      PRO   5  -8.972  -5.634   3.525
   45    H    GLY   6           HN       GLY   6 -11.683  -2.781   3.047
   46    HA2  GLY   6           HA2      GLY   6 -14.246  -2.257   1.662
   47    HA3  GLY   6           HA1      GLY   6 -14.117  -2.355   3.408
   48    H    PHE   7           HN       PHE   7 -11.732  -0.735   1.390
   49    HA   PHE   7           HA       PHE   7 -12.824   1.896   2.053
   50    HB2  PHE   7           HB2      PHE   7 -10.180   0.834   2.997
   51    HB3  PHE   7           HB1      PHE   7 -10.357   2.551   2.660
   52    HD1  PHE   7           HD1      PHE   7 -11.425  -0.214   4.832
   53    HD2  PHE   7           HD2      PHE   7 -11.657   3.969   4.079
   54    HE1  PHE   7           HE1      PHE   7 -12.389   0.130   7.068
   55    HE2  PHE   7           HE2      PHE   7 -12.624   4.320   6.314
   56    HZ   PHE   7           HZ       PHE   7 -12.990   2.400   7.812
   57    H    SER   8           HN       SER   8 -11.429   3.667   0.983
   58    HA   SER   8           HA       SER   8 -11.249   3.064  -1.800
   59    HB2  SER   8           HB2      SER   8 -10.792   5.543  -0.136
   60    HB3  SER   8           HB1      SER   8 -10.460   5.539  -1.868
   61    HG   SER   8           HG       SER   8 -12.911   4.501  -1.133
   62    HA   PRO   9           HA       PRO   9  -6.799   2.407  -2.048
   63    HB2  PRO   9           HB2      PRO   9  -6.256   4.037  -4.387
   64    HB3  PRO   9           HB1      PRO   9  -6.452   2.278  -4.293
   65    HG2  PRO   9           HG2      PRO   9  -8.212   3.870  -5.580
   66    HG3  PRO   9           HG1      PRO   9  -8.681   2.354  -4.783
   67    HD2  PRO   9           HD2      PRO   9  -8.895   5.166  -3.757
   68    HD3  PRO   9           HD1      PRO   9 -10.121   3.875  -3.753
   69    H    LEU  10           HN       LEU  10  -5.300   3.148  -0.744
   70    HA   LEU  10           HA       LEU  10  -4.371   5.925  -0.967
   71    HB2  LEU  10           HB2      LEU  10  -5.118   4.482   1.577
   72    HB3  LEU  10           HB1      LEU  10  -4.112   5.917   1.559
   73    HG   LEU  10           HG       LEU  10  -6.192   6.899   0.207
   74   HD11  LEU  10          HD11      LEU  10  -8.292   6.074   1.150
   75   HD12  LEU  10          HD12      LEU  10  -7.415   4.789   1.982
   76   HD13  LEU  10          HD13      LEU  10  -7.464   4.824   0.219
   77   HD21  LEU  10          HD21      LEU  10  -7.016   7.795   2.337
   78   HD22  LEU  10          HD22      LEU  10  -5.257   7.845   2.235
   79   HD23  LEU  10          HD23      LEU  10  -6.050   6.603   3.204
   80    H    CYS  11           HN       CYS  11  -2.186   6.254  -0.132
   81    HA   CYS  11           HA       CYS  11  -0.621   3.775   0.075
   82    HB2  CYS  11           HB2      CYS  11   0.176   6.206  -1.542
   83    HB3  CYS  11           HB1      CYS  11   1.150   4.758  -1.312
   84    H    THR  12           HN       THR  12   0.002   3.761   2.119
   85    HA   THR  12           HA       THR  12   0.990   6.193   3.401
   86    HB   THR  12           HB       THR  12   1.039   4.552   5.420
   87    HG1  THR  12           HG1      THR  12  -1.033   3.219   4.083
   88   HG21  THR  12          HG21      THR  12  -0.535   6.426   5.225
   89   HG22  THR  12          HG22      THR  12  -1.340   5.008   5.894
   90   HG23  THR  12          HG23      THR  12  -1.586   5.444   4.204
   91    H    LYS  13           HN       LYS  13   2.970   6.134   4.606
   92    HA   LYS  13           HA       LYS  13   5.202   5.837   4.824
   93    HB2  LYS  13           HB2      LYS  13   4.441   2.961   4.285
   94    HB3  LYS  13           HB1      LYS  13   6.087   3.453   4.650
   95    HG2  LYS  13           HG2      LYS  13   5.342   4.335   6.809
   96    HG3  LYS  13           HG1      LYS  13   3.693   3.828   6.440
   97    HD2  LYS  13           HD2      LYS  13   4.434   1.500   6.320
   98    HD3  LYS  13           HD1      LYS  13   6.087   2.006   6.674
   99    HE2  LYS  13           HE2      LYS  13   5.351   2.877   8.840
  100    HE3  LYS  13           HE1      LYS  13   3.702   2.366   8.486
  101    HZ1  LYS  13           HZ1      LYS  13   4.837   0.770   9.897
  102    HZ2  LYS  13           HZ2      LYS  13   6.050   0.565   8.739
  103    HZ3  LYS  13           HZ3      LYS  13   4.469   0.076   8.399
  104    H    SER  14           HN       SER  14   5.986   7.066   3.255
  105    HA   SER  14           HA       SER  14   6.028   6.381   0.493
  106    HB2  SER  14           HB2      SER  14   7.565   8.505   1.996
  107    HB3  SER  14           HB1      SER  14   7.439   8.394   0.241
  108    HG   SER  14           HG       SER  14   5.004   8.334   0.944
  109    H    ILE  15           HN       ILE  15   8.067   5.421   3.059
  110    HA   ILE  15           HA       ILE  15   9.922   4.256   1.142
  111    HB   ILE  15           HB       ILE  15  11.018   6.338   1.749
  112   HG12  ILE  15          HG12      ILE  15  13.120   5.278   2.953
  113   HG13  ILE  15          HG11      ILE  15  12.257   3.774   2.652
  114   HG21  ILE  15          HG21      ILE  15  10.907   5.427   4.617
  115   HG22  ILE  15          HG22      ILE  15  10.046   6.793   3.910
  116   HG23  ILE  15          HG23      ILE  15  11.805   6.822   4.019
  117   HD11  ILE  15          HD11      ILE  15  13.859   4.241   0.891
  118   HD12  ILE  15          HD12      ILE  15  13.074   5.786   0.569
  119   HD13  ILE  15          HD13      ILE  15  12.211   4.279   0.264
  120    HA   PRO  16           HA       PRO  16  10.046   2.395   0.485
  121    HB2  PRO  16           HB2      PRO  16   8.652  -0.165   0.685
  122    HB3  PRO  16           HB1      PRO  16  10.327   0.141   0.200
  123    HG2  PRO  16           HG2      PRO  16   9.683  -1.129   2.492
  124    HG3  PRO  16           HG1      PRO  16  11.143  -0.135   2.310
  125    HD2  PRO  16           HD2      PRO  16   8.525   0.585   3.579
  126    HD3  PRO  16           HD1      PRO  16  10.178   0.900   4.150
  127    HA   PRO  17           HA       PRO  17   5.752   3.338  -0.556
  128    HB2  PRO  17           HB2      PRO  17   5.624   2.040  -3.132
  129    HB3  PRO  17           HB1      PRO  17   5.912   3.754  -2.783
  130    HG2  PRO  17           HG2      PRO  17   7.810   2.137  -3.879
  131    HG3  PRO  17           HG1      PRO  17   8.197   3.532  -2.850
  132    HD2  PRO  17           HD2      PRO  17   8.021   0.629  -2.099
  133    HD3  PRO  17           HD1      PRO  17   9.294   1.814  -1.711
  134    H    ILE  18           HN       ILE  18   3.798   2.630  -0.039
  135    HA   ILE  18           HA       ILE  18   3.046  -0.160  -0.571
  136    HB   ILE  18           HB       ILE  18   2.667   1.278   2.073
  137   HG12  ILE  18          HG12      ILE  18   4.900   0.356   1.900
  138   HG13  ILE  18          HG11      ILE  18   3.971  -0.616   3.028
  139   HG21  ILE  18          HG21      ILE  18   1.600  -1.430   1.272
  140   HG22  ILE  18          HG22      ILE  18   0.649   0.021   1.590
  141   HG23  ILE  18          HG23      ILE  18   1.548  -0.749   2.899
  142   HD11  ILE  18          HD11      ILE  18   5.243  -2.133   1.758
  143   HD12  ILE  18          HD12      ILE  18   4.850  -1.324   0.242
  144   HD13  ILE  18          HD13      ILE  18   3.610  -2.238   1.101
  Start of MODEL   16
    1    H    CYS   1           HN       CYS   1   0.975  -0.394  -1.388
    2    HA   CYS   1           HA       CYS   1  -1.093   1.617  -1.021
    3    HB2  CYS   1           HB2      CYS   1   0.005   2.181  -3.211
    4    HB3  CYS   1           HB1      CYS   1  -0.466   0.591  -3.802
    5    H    LYS   2           HN       LYS   2  -3.244   0.802  -1.564
    6    HA   LYS   2           HA       LYS   2  -4.937  -0.700  -1.450
    7    HB2  LYS   2           HB2      LYS   2  -2.882  -2.545  -2.675
    8    HB3  LYS   2           HB1      LYS   2  -4.535  -3.044  -2.346
    9    HG2  LYS   2           HG2      LYS   2  -5.361  -1.285  -3.833
   10    HG3  LYS   2           HG1      LYS   2  -3.699  -0.796  -4.170
   11    HD2  LYS   2           HD2      LYS   2  -3.237  -3.006  -5.111
   12    HD3  LYS   2           HD1      LYS   2  -4.893  -3.505  -4.763
   13    HE2  LYS   2           HE2      LYS   2  -4.226  -1.153  -6.519
   14    HE3  LYS   2           HE1      LYS   2  -4.409  -2.789  -7.145
   15    HZ1  LYS   2           HZ1      LYS   2  -6.456  -1.522  -7.352
   16    HZ2  LYS   2           HZ2      LYS   2  -6.496  -1.260  -5.682
   17    HZ3  LYS   2           HZ3      LYS   2  -6.670  -2.826  -6.297
   18    H    ARG   3           HN       ARG   3  -5.827  -1.656   0.232
   19    HA   ARG   3           HA       ARG   3  -4.133  -3.205   2.079
   20    HB2  ARG   3           HB2      ARG   3  -6.039  -0.954   2.699
   21    HB3  ARG   3           HB1      ARG   3  -5.637  -2.158   3.912
   22    HG2  ARG   3           HG2      ARG   3  -3.272  -1.566   3.714
   23    HG3  ARG   3           HG1      ARG   3  -3.683  -0.354   2.498
   24    HD2  ARG   3           HD2      ARG   3  -5.058   0.827   4.141
   25    HD3  ARG   3           HD1      ARG   3  -4.654  -0.388   5.354
   26    HE   ARG   3           HE       ARG   3  -2.274   0.690   4.336
   27   HH11  ARG   3          HH11      ARG   3  -4.985   1.705   6.327
   28   HH12  ARG   3          HH12      ARG   3  -4.052   2.873   7.202
   29   HH21  ARG   3          HH21      ARG   3  -1.075   2.224   5.494
   30   HH22  ARG   3          HH22      ARG   3  -1.840   3.167   6.729
   31    HA   PRO   4           HA       PRO   4  -7.039  -6.585   2.230
   32    HB2  PRO   4           HB2      PRO   4  -7.828  -6.193   5.001
   33    HB3  PRO   4           HB1      PRO   4  -6.854  -7.486   4.289
   34    HG2  PRO   4           HG2      PRO   4  -5.975  -5.124   5.727
   35    HG3  PRO   4           HG1      PRO   4  -5.064  -6.571   5.275
   36    HD2  PRO   4           HD2      PRO   4  -4.632  -4.122   4.166
   37    HD3  PRO   4           HD1      PRO   4  -4.302  -5.648   3.330
   38    HA   PRO   5           HA       PRO   5 -11.229  -4.518   3.457
   39    HB2  PRO   5           HB2      PRO   5 -10.772  -1.715   4.139
   40    HB3  PRO   5           HB1      PRO   5 -11.558  -2.977   5.104
   41    HG2  PRO   5           HG2      PRO   5  -9.190  -1.909   5.794
   42    HG3  PRO   5           HG1      PRO   5  -9.618  -3.597   6.140
   43    HD2  PRO   5           HD2      PRO   5  -7.927  -2.505   3.921
   44    HD3  PRO   5           HD1      PRO   5  -7.637  -3.906   4.970
   45    H    GLY   6           HN       GLY   6 -12.714  -3.429   2.109
   46    HA2  GLY   6           HA2      GLY   6 -11.490  -2.268  -0.295
   47    HA3  GLY   6           HA1      GLY   6 -13.101  -2.960  -0.192
   48    H    PHE   7           HN       PHE   7 -11.515  -0.494   1.823
   49    HA   PHE   7           HA       PHE   7 -13.379   1.537   0.827
   50    HB2  PHE   7           HB2      PHE   7 -13.016   0.787   3.735
   51    HB3  PHE   7           HB1      PHE   7 -13.747   2.301   3.213
   52    HD1  PHE   7           HD1      PHE   7 -14.176  -1.316   3.479
   53    HD2  PHE   7           HD2      PHE   7 -15.946   2.336   2.198
   54    HE1  PHE   7           HE1      PHE   7 -16.361  -2.435   3.320
   55    HE2  PHE   7           HE2      PHE   7 -18.134   1.223   2.037
   56    HZ   PHE   7           HZ       PHE   7 -18.344  -1.165   2.599
   57    H    SER   8           HN       SER   8 -12.609   3.617   0.860
   58    HA   SER   8           HA       SER   8 -11.054   5.269   0.646
   59    HB2  SER   8           HB2      SER   8  -9.806   5.825   2.691
   60    HB3  SER   8           HB1      SER   8 -11.485   5.421   3.041
   61    HG   SER   8           HG       SER   8  -9.410   3.507   3.211
   62    HA   PRO   9           HA       PRO   9  -7.378   2.286  -0.265
   63    HB2  PRO   9           HB2      PRO   9  -8.151   2.192  -3.091
   64    HB3  PRO   9           HB1      PRO   9  -7.833   0.850  -1.976
   65    HG2  PRO   9           HG2      PRO   9 -10.290   1.358  -2.898
   66    HG3  PRO   9           HG1      PRO   9 -10.006   0.741  -1.257
   67    HD2  PRO   9           HD2      PRO   9 -10.547   3.552  -2.141
   68    HD3  PRO   9           HD1      PRO   9 -11.262   2.640  -0.793
   69    H    LEU  10           HN       LEU  10  -5.608   3.441  -0.404
   70    HA   LEU  10           HA       LEU  10  -5.265   5.415  -2.549
   71    HB2  LEU  10           HB2      LEU  10  -4.740   5.896   0.392
   72    HB3  LEU  10           HB1      LEU  10  -4.130   6.933  -0.882
   73    HG   LEU  10           HG       LEU  10  -7.074   6.441  -0.730
   74   HD11  LEU  10          HD11      LEU  10  -5.562   8.366   1.031
   75   HD12  LEU  10          HD12      LEU  10  -6.470   6.952   1.568
   76   HD13  LEU  10          HD13      LEU  10  -7.313   8.314   0.831
   77   HD21  LEU  10          HD21      LEU  10  -5.392   8.831  -1.481
   78   HD22  LEU  10          HD22      LEU  10  -7.150   8.735  -1.580
   79   HD23  LEU  10          HD23      LEU  10  -6.151   7.704  -2.604
   80    H    CYS  11           HN       CYS  11  -2.808   6.218  -2.408
   81    HA   CYS  11           HA       CYS  11  -1.087   3.884  -1.877
   82    HB2  CYS  11           HB2      CYS  11  -0.868   5.720  -4.275
   83    HB3  CYS  11           HB1      CYS  11   0.183   4.360  -3.917
   84    H    THR  12           HN       THR  12   0.396   4.390  -0.427
   85    HA   THR  12           HA       THR  12   1.238   7.160  -0.060
   86    HB   THR  12           HB       THR  12   2.380   6.044   1.999
   87    HG1  THR  12           HG1      THR  12   0.274   4.214   1.901
   88   HG21  THR  12          HG21      THR  12   0.308   6.314   3.315
   89   HG22  THR  12          HG22      THR  12  -0.628   6.323   1.821
   90   HG23  THR  12          HG23      THR  12   0.511   7.628   2.155
   91    H    LYS  13           HN       LYS  13   3.435   7.732   0.072
   92    HA   LYS  13           HA       LYS  13   5.338   5.762  -0.949
   93    HB2  LYS  13           HB2      LYS  13   6.420   7.586  -2.318
   94    HB3  LYS  13           HB1      LYS  13   4.875   7.001  -2.905
   95    HG2  LYS  13           HG2      LYS  13   3.771   8.984  -1.971
   96    HG3  LYS  13           HG1      LYS  13   5.328   9.568  -1.381
   97    HD2  LYS  13           HD2      LYS  13   6.163   9.660  -3.681
   98    HD3  LYS  13           HD1      LYS  13   4.605   9.076  -4.270
   99    HE2  LYS  13           HE2      LYS  13   3.514  11.063  -3.354
  100    HE3  LYS  13           HE1      LYS  13   5.069  11.645  -2.759
  101    HZ1  LYS  13           HZ1      LYS  13   5.857  11.753  -5.043
  102    HZ2  LYS  13           HZ2      LYS  13   4.472  12.703  -4.844
  103    HZ3  LYS  13           HZ3      LYS  13   4.362  11.199  -5.610
  104    H    SER  14           HN       SER  14   5.803   5.578   1.309
  105    HA   SER  14           HA       SER  14   7.278   7.780   2.512
  106    HB2  SER  14           HB2      SER  14   6.485   5.100   3.665
  107    HB3  SER  14           HB1      SER  14   7.283   6.394   4.558
  108    HG   SER  14           HG       SER  14   5.454   7.450   4.675
  109    H    ILE  15           HN       ILE  15   8.077   4.389   2.956
  110    HA   ILE  15           HA       ILE  15  10.295   4.220   1.261
  111    HB   ILE  15           HB       ILE  15  11.347   5.925   2.629
  112   HG12  ILE  15          HG12      ILE  15  13.324   4.471   3.597
  113   HG13  ILE  15          HG11      ILE  15  12.493   3.166   2.759
  114   HG21  ILE  15          HG21      ILE  15  10.946   4.123   5.009
  115   HG22  ILE  15          HG22      ILE  15  10.166   5.677   4.716
  116   HG23  ILE  15          HG23      ILE  15  11.906   5.604   4.995
  117   HD11  ILE  15          HD11      ILE  15  14.252   4.121   1.387
  118   HD12  ILE  15          HD12      ILE  15  13.498   5.712   1.505
  119   HD13  ILE  15          HD13      ILE  15  12.669   4.402   0.663
  120    HA   PRO  16           HA       PRO  16   9.994   2.777  -0.012
  121    HB2  PRO  16           HB2      PRO  16   8.806   0.278  -0.794
  122    HB3  PRO  16           HB1      PRO  16  10.491   0.779  -0.996
  123    HG2  PRO  16           HG2      PRO  16   9.674  -1.268   0.636
  124    HG3  PRO  16           HG1      PRO  16  11.187  -0.363   0.832
  125    HD2  PRO  16           HD2      PRO  16   8.586  -0.021   2.274
  126    HD3  PRO  16           HD1      PRO  16  10.247   0.026   2.911
  127    HA   PRO  17           HA       PRO  17   5.601   3.661  -0.632
  128    HB2  PRO  17           HB2      PRO  17   5.306   2.744  -3.378
  129    HB3  PRO  17           HB1      PRO  17   5.449   4.406  -2.780
  130    HG2  PRO  17           HG2      PRO  17   7.388   3.246  -4.265
  131    HG3  PRO  17           HG1      PRO  17   7.742   4.448  -3.005
  132    HD2  PRO  17           HD2      PRO  17   7.889   1.454  -2.846
  133    HD3  PRO  17           HD1      PRO  17   9.077   2.666  -2.311
  134    H    ILE  18           HN       ILE  18   3.691   2.811  -0.130
  135    HA   ILE  18           HA       ILE  18   3.080   0.047  -0.928
  136    HB   ILE  18           HB       ILE  18   2.665   1.226   1.835
  137   HG12  ILE  18          HG12      ILE  18   4.959   0.505   1.544
  138   HG13  ILE  18          HG11      ILE  18   4.138  -0.623   2.610
  139   HG21  ILE  18          HG21      ILE  18   1.789  -1.487   0.837
  140   HG22  ILE  18          HG22      ILE  18   0.738  -0.146   1.287
  141   HG23  ILE  18          HG23      ILE  18   1.723  -0.943   2.513
  142   HD11  ILE  18          HD11      ILE  18   3.865  -2.130   0.590
  143   HD12  ILE  18          HD12      ILE  18   5.508  -1.916   1.193
  144   HD13  ILE  18          HD13      ILE  18   4.979  -1.049  -0.248
  Start of MODEL   17
    1    H    CYS   1           HN       CYS   1   1.049  -0.777  -1.159
    2    HA   CYS   1           HA       CYS   1  -1.219   0.984  -1.647
    3    HB2  CYS   1           HB2      CYS   1   0.447  -0.220  -3.838
    4    HB3  CYS   1           HB1      CYS   1  -1.276   0.037  -4.083
    5    H    LYS   2           HN       LYS   2  -3.156  -0.106  -2.162
    6    HA   LYS   2           HA       LYS   2  -4.745  -1.703  -1.974
    7    HB2  LYS   2           HB2      LYS   2  -2.489  -3.560  -2.754
    8    HB3  LYS   2           HB1      LYS   2  -4.169  -4.058  -2.617
    9    HG2  LYS   2           HG2      LYS   2  -4.767  -2.421  -4.363
   10    HG3  LYS   2           HG1      LYS   2  -3.058  -2.015  -4.531
   11    HD2  LYS   2           HD2      LYS   2  -2.569  -4.326  -5.165
   12    HD3  LYS   2           HD1      LYS   2  -4.274  -4.742  -4.982
   13    HE2  LYS   2           HE2      LYS   2  -4.845  -3.153  -6.757
   14    HE3  LYS   2           HE1      LYS   2  -3.141  -2.742  -6.937
   15    HZ1  LYS   2           HZ1      LYS   2  -4.328  -5.425  -7.404
   16    HZ2  LYS   2           HZ2      LYS   2  -2.695  -5.026  -7.584
   17    HZ3  LYS   2           HZ3      LYS   2  -3.850  -4.335  -8.607
   18    H    ARG   3           HN       ARG   3  -5.660  -2.183  -0.143
   19    HA   ARG   3           HA       ARG   3  -4.166  -3.700   1.892
   20    HB2  ARG   3           HB2      ARG   3  -5.872  -1.239   2.294
   21    HB3  ARG   3           HB1      ARG   3  -5.456  -2.322   3.611
   22    HG2  ARG   3           HG2      ARG   3  -3.266  -1.190   1.938
   23    HG3  ARG   3           HG1      ARG   3  -4.045  -0.163   3.143
   24    HD2  ARG   3           HD2      ARG   3  -3.531  -1.826   4.875
   25    HD3  ARG   3           HD1      ARG   3  -2.736  -2.833   3.666
   26    HE   ARG   3           HE       ARG   3  -1.497  -0.376   3.525
   27   HH11  ARG   3          HH11      ARG   3  -1.925  -2.816   6.017
   28   HH12  ARG   3          HH12      ARG   3  -0.444  -2.419   6.821
   29   HH21  ARG   3          HH21      ARG   3   0.437   0.126   4.595
   30   HH22  ARG   3          HH22      ARG   3   0.892  -0.754   6.016
   31    HA   PRO   4           HA       PRO   4  -7.451  -6.678   2.178
   32    HB2  PRO   4           HB2      PRO   4  -7.983  -6.244   4.996
   33    HB3  PRO   4           HB1      PRO   4  -7.211  -7.626   4.208
   34    HG2  PRO   4           HG2      PRO   4  -5.980  -5.444   5.641
   35    HG3  PRO   4           HG1      PRO   4  -5.256  -6.942   5.041
   36    HD2  PRO   4           HD2      PRO   4  -4.730  -4.437   4.027
   37    HD3  PRO   4           HD1      PRO   4  -4.476  -5.956   3.154
   38    HA   PRO   5           HA       PRO   5 -11.229  -4.123   3.691
   39    HB2  PRO   5           HB2      PRO   5 -10.456  -1.466   4.555
   40    HB3  PRO   5           HB1      PRO   5 -11.225  -2.749   5.504
   41    HG2  PRO   5           HG2      PRO   5  -8.702  -1.875   5.967
   42    HG3  PRO   5           HG1      PRO   5  -9.247  -3.526   6.319
   43    HD2  PRO   5           HD2      PRO   5  -7.704  -2.519   3.957
   44    HD3  PRO   5           HD1      PRO   5  -7.446  -3.983   4.926
   45    H    GLY   6           HN       GLY   6 -12.500  -3.292   2.142
   46    HA2  GLY   6           HA2      GLY   6 -11.254  -1.595   0.087
   47    HA3  GLY   6           HA1      GLY   6 -12.694  -2.578  -0.130
   48    H    PHE   7           HN       PHE   7 -11.844  -0.180   2.359
   49    HA   PHE   7           HA       PHE   7 -14.028   1.543   1.430
   50    HB2  PHE   7           HB2      PHE   7 -13.657   0.539   4.253
   51    HB3  PHE   7           HB1      PHE   7 -14.666   1.922   3.851
   52    HD1  PHE   7           HD1      PHE   7 -16.770   1.631   2.689
   53    HD2  PHE   7           HD2      PHE   7 -14.326  -1.709   3.675
   54    HE1  PHE   7           HE1      PHE   7 -18.662   0.120   2.247
   55    HE2  PHE   7           HE2      PHE   7 -16.213  -3.226   3.232
   56    HZ   PHE   7           HZ       PHE   7 -18.384  -2.310   2.516
   57    H    SER   8           HN       SER   8 -10.958   1.166   2.951
   58    HA   SER   8           HA       SER   8 -10.558   4.086   2.905
   59    HB2  SER   8           HB2      SER   8  -9.657   2.198   5.096
   60    HB3  SER   8           HB1      SER   8  -9.234   3.907   4.988
   61    HG   SER   8           HG       SER   8 -11.150   4.420   5.702
   62    HA   PRO   9           HA       PRO   9  -6.878   1.605   1.065
   63    HB2  PRO   9           HB2      PRO   9  -7.750   1.983  -1.678
   64    HB3  PRO   9           HB1      PRO   9  -7.465   0.462  -0.814
   65    HG2  PRO   9           HG2      PRO   9  -9.922   1.255  -1.619
   66    HG3  PRO   9           HG1      PRO   9  -9.644   0.243  -0.186
   67    HD2  PRO   9           HD2      PRO   9 -10.132   3.194  -0.339
   68    HD3  PRO   9           HD1      PRO   9 -10.833   1.993   0.768
   69    H    LEU  10           HN       LEU  10  -5.171   2.887   1.052
   70    HA   LEU  10           HA       LEU  10  -5.129   5.271  -0.663
   71    HB2  LEU  10           HB2      LEU  10  -4.411   5.152   2.263
   72    HB3  LEU  10           HB1      LEU  10  -3.830   6.424   1.207
   73    HG   LEU  10           HG       LEU  10  -6.445   6.659   0.703
   74   HD11  LEU  10          HD11      LEU  10  -6.328   5.628   3.534
   75   HD12  LEU  10          HD12      LEU  10  -7.106   4.829   2.169
   76   HD13  LEU  10          HD13      LEU  10  -7.729   6.369   2.762
   77   HD21  LEU  10          HD21      LEU  10  -5.016   7.801   3.100
   78   HD22  LEU  10          HD22      LEU  10  -6.490   8.449   2.381
   79   HD23  LEU  10          HD23      LEU  10  -4.986   8.446   1.458
   80    H    CYS  11           HN       CYS  11  -2.924   6.073  -1.088
   81    HA   CYS  11           HA       CYS  11  -0.858   4.001  -0.802
   82    HB2  CYS  11           HB2      CYS  11  -1.698   5.454  -3.301
   83    HB3  CYS  11           HB1      CYS  11  -0.085   4.769  -3.142
   84    H    THR  12           HN       THR  12   0.658   4.820   0.446
   85    HA   THR  12           HA       THR  12   1.380   7.649   0.241
   86    HB   THR  12           HB       THR  12   2.662   6.978   2.424
   87    HG1  THR  12           HG1      THR  12   0.553   5.192   2.821
   88   HG21  THR  12          HG21      THR  12   0.663   7.540   3.763
   89   HG22  THR  12          HG22      THR  12  -0.354   7.246   2.353
   90   HG23  THR  12          HG23      THR  12   0.801   8.580   2.345
   91    H    LYS  13           HN       LYS  13   3.679   8.191   0.438
   92    HA   LYS  13           HA       LYS  13   5.444   6.118  -0.673
   93    HB2  LYS  13           HB2      LYS  13   5.360   9.051  -1.397
   94    HB3  LYS  13           HB1      LYS  13   6.650   7.960  -1.876
   95    HG2  LYS  13           HG2      LYS  13   5.136   6.660  -3.206
   96    HG3  LYS  13           HG1      LYS  13   3.754   7.589  -2.618
   97    HD2  LYS  13           HD2      LYS  13   4.675   9.604  -3.670
   98    HD3  LYS  13           HD1      LYS  13   6.047   8.665  -4.261
   99    HE2  LYS  13           HE2      LYS  13   4.522   7.263  -5.564
  100    HE3  LYS  13           HE1      LYS  13   3.152   8.200  -4.971
  101    HZ1  LYS  13           HZ1      LYS  13   4.073  10.158  -6.049
  102    HZ2  LYS  13           HZ2      LYS  13   3.822   8.920  -7.173
  103    HZ3  LYS  13           HZ3      LYS  13   5.384   9.254  -6.622
  104    H    SER  14           HN       SER  14   5.809   5.762   1.636
  105    HA   SER  14           HA       SER  14   7.356   7.736   3.068
  106    HB2  SER  14           HB2      SER  14   6.596   4.909   3.827
  107    HB3  SER  14           HB1      SER  14   7.389   6.068   4.895
  108    HG   SER  14           HG       SER  14   5.523   7.434   4.555
  109    H    ILE  15           HN       ILE  15   8.224   4.333   3.063
  110    HA   ILE  15           HA       ILE  15  10.458   4.467   1.369
  111    HB   ILE  15           HB       ILE  15  11.452   5.962   2.999
  112   HG12  ILE  15          HG12      ILE  15  13.475   4.477   3.731
  113   HG13  ILE  15          HG11      ILE  15  12.675   3.229   2.783
  114   HG21  ILE  15          HG21      ILE  15  11.992   5.291   5.293
  115   HG22  ILE  15          HG22      ILE  15  11.072   3.804   5.065
  116   HG23  ILE  15          HG23      ILE  15  10.253   5.365   5.004
  117   HD11  ILE  15          HD11      ILE  15  14.375   4.373   1.483
  118   HD12  ILE  15          HD12      ILE  15  13.572   5.917   1.766
  119   HD13  ILE  15          HD13      ILE  15  12.770   4.669   0.812
  120    HA   PRO  16           HA       PRO  16   9.726   3.333  -0.034
  121    HB2  PRO  16           HB2      PRO  16   8.721   1.005  -1.285
  122    HB3  PRO  16           HB1      PRO  16  10.396   1.577  -1.335
  123    HG2  PRO  16           HG2      PRO  16   9.494  -0.783  -0.133
  124    HG3  PRO  16           HG1      PRO  16  11.085  -0.030   0.083
  125    HD2  PRO  16           HD2      PRO  16   8.678   0.111   1.838
  126    HD3  PRO  16           HD1      PRO  16  10.400   0.070   2.276
  127    HA   PRO  17           HA       PRO  17   5.227   3.910  -0.143
  128    HB2  PRO  17           HB2      PRO  17   4.752   3.035  -2.912
  129    HB3  PRO  17           HB1      PRO  17   4.618   4.659  -2.216
  130    HG2  PRO  17           HG2      PRO  17   6.579   4.076  -3.930
  131    HG3  PRO  17           HG1      PRO  17   6.871   5.136  -2.532
  132    HD2  PRO  17           HD2      PRO  17   7.468   2.208  -2.823
  133    HD3  PRO  17           HD1      PRO  17   8.530   3.514  -2.248
  134    H    ILE  18           HN       ILE  18   3.115   2.984  -0.152
  135    HA   ILE  18           HA       ILE  18   3.003   0.062  -0.489
  136    HB   ILE  18           HB       ILE  18   1.903   1.623   1.868
  137   HG12  ILE  18          HG12      ILE  18   4.281   1.232   2.128
  138   HG13  ILE  18          HG11      ILE  18   3.406   0.192   3.240
  139   HG21  ILE  18          HG21      ILE  18   1.127  -0.519   2.791
  140   HG22  ILE  18          HG22      ILE  18   1.588  -1.323   1.291
  141   HG23  ILE  18          HG23      ILE  18   0.310  -0.108   1.282
  142   HD11  ILE  18          HD11      ILE  18   3.724  -1.663   1.540
  143   HD12  ILE  18          HD12      ILE  18   5.174  -1.099   2.369
  144   HD13  ILE  18          HD13      ILE  18   4.849  -0.582   0.716
  Start of MODEL   18
    1    H    CYS   1           HN       CYS   1   1.450  -0.564  -0.169
    2    HA   CYS   1           HA       CYS   1  -0.447   1.311  -1.340
    3    HB2  CYS   1           HB2      CYS   1   1.035   1.016  -3.216
    4    HB3  CYS   1           HB1      CYS   1   1.086  -0.726  -2.975
    5    H    LYS   2           HN       LYS   2  -2.500   0.505  -1.498
    6    HA   LYS   2           HA       LYS   2  -4.325  -0.745  -1.030
    7    HB2  LYS   2           HB2      LYS   2  -2.452  -2.977  -1.809
    8    HB3  LYS   2           HB1      LYS   2  -4.136  -3.262  -1.394
    9    HG2  LYS   2           HG2      LYS   2  -4.831  -1.780  -3.218
   10    HG3  LYS   2           HG1      LYS   2  -3.137  -1.522  -3.641
   11    HD2  LYS   2           HD2      LYS   2  -2.885  -3.914  -4.096
   12    HD3  LYS   2           HD1      LYS   2  -4.574  -4.177  -3.661
   13    HE2  LYS   2           HE2      LYS   2  -3.723  -2.313  -5.866
   14    HE3  LYS   2           HE1      LYS   2  -4.057  -4.021  -6.137
   15    HZ1  LYS   2           HZ1      LYS   2  -5.981  -2.038  -5.044
   16    HZ2  LYS   2           HZ2      LYS   2  -6.303  -3.676  -5.308
   17    HZ3  LYS   2           HZ3      LYS   2  -5.989  -2.656  -6.620
   18    H    ARG   3           HN       ARG   3  -5.132  -0.780   0.918
   19    HA   ARG   3           HA       ARG   3  -3.971  -2.540   2.946
   20    HB2  ARG   3           HB2      ARG   3  -4.155   0.397   3.099
   21    HB3  ARG   3           HB1      ARG   3  -4.769  -0.448   4.513
   22    HG2  ARG   3           HG2      ARG   3  -2.104  -1.213   3.424
   23    HG3  ARG   3           HG1      ARG   3  -2.256   0.279   4.353
   24    HD2  ARG   3           HD2      ARG   3  -3.233  -0.992   6.213
   25    HD3  ARG   3           HD1      ARG   3  -3.056  -2.479   5.284
   26    HE   ARG   3           HE       ARG   3  -0.546  -1.318   5.407
   27   HH11  ARG   3          HH11      ARG   3  -2.852  -2.634   7.706
   28   HH12  ARG   3          HH12      ARG   3  -1.627  -3.110   8.836
   29   HH21  ARG   3          HH21      ARG   3   1.038  -1.950   6.899
   30   HH22  ARG   3          HH22      ARG   3   0.572  -2.721   8.379
   31    HA   PRO   4           HA       PRO   4  -8.627  -1.884   4.042
   32    HB2  PRO   4           HB2      PRO   4  -9.931  -0.355   1.940
   33    HB3  PRO   4           HB1      PRO   4  -9.799   0.032   3.664
   34    HG2  PRO   4           HG2      PRO   4  -8.565   1.474   1.743
   35    HG3  PRO   4           HG1      PRO   4  -7.917   1.285   3.385
   36    HD2  PRO   4           HD2      PRO   4  -7.146  -0.171   0.882
   37    HD3  PRO   4           HD1      PRO   4  -6.109   0.530   2.141
   38    HA   PRO   5           HA       PRO   5 -10.215  -5.211   1.536
   39    HB2  PRO   5           HB2      PRO   5 -12.951  -4.949   1.807
   40    HB3  PRO   5           HB1      PRO   5 -11.889  -5.696   3.015
   41    HG2  PRO   5           HG2      PRO   5 -13.018  -2.945   2.946
   42    HG3  PRO   5           HG1      PRO   5 -12.803  -4.045   4.321
   43    HD2  PRO   5           HD2      PRO   5 -11.127  -1.996   3.886
   44    HD3  PRO   5           HD1      PRO   5 -10.562  -3.545   4.546
   45    H    GLY   6           HN       GLY   6 -11.292  -1.998   0.813
   46    HA2  GLY   6           HA2      GLY   6 -10.986  -1.629  -1.713
   47    HA3  GLY   6           HA1      GLY   6 -12.239  -2.851  -1.846
   48    H    PHE   7           HN       PHE   7 -11.793   0.060   0.177
   49    HA   PHE   7           HA       PHE   7 -14.226   1.206  -0.962
   50    HB2  PHE   7           HB2      PHE   7 -13.783   0.618   1.951
   51    HB3  PHE   7           HB1      PHE   7 -14.861   1.912   1.441
   52    HD1  PHE   7           HD1      PHE   7 -14.334  -1.712   1.513
   53    HD2  PHE   7           HD2      PHE   7 -16.974   1.433   0.402
   54    HE1  PHE   7           HE1      PHE   7 -16.151  -3.345   1.227
   55    HE2  PHE   7           HE2      PHE   7 -18.797  -0.194   0.114
   56    HZ   PHE   7           HZ       PHE   7 -18.387  -2.586   0.525
   57    H    SER   8           HN       SER   8 -11.383   1.641   1.025
   58    HA   SER   8           HA       SER   8 -11.173   4.434   0.114
   59    HB2  SER   8           HB2      SER   8 -12.082   4.351   2.441
   60    HB3  SER   8           HB1      SER   8 -10.611   3.523   2.950
   61    HG   SER   8           HG       SER   8 -10.520   6.013   1.621
   62    HA   PRO   9           HA       PRO   9  -7.041   1.982   0.054
   63    HB2  PRO   9           HB2      PRO   9  -7.234   1.376  -2.776
   64    HB3  PRO   9           HB1      PRO   9  -7.102   0.249  -1.416
   65    HG2  PRO   9           HG2      PRO   9  -9.320   0.442  -2.946
   66    HG3  PRO   9           HG1      PRO   9  -9.357  -0.019  -1.232
   67    HD2  PRO   9           HD2      PRO   9  -9.906   2.651  -2.476
   68    HD3  PRO   9           HD1      PRO   9 -10.816   1.789  -1.214
   69    H    LEU  10           HN       LEU  10  -5.285   3.159  -0.191
   70    HA   LEU  10           HA       LEU  10  -5.060   5.041  -2.438
   71    HB2  LEU  10           HB2      LEU  10  -4.525   5.608   0.477
   72    HB3  LEU  10           HB1      LEU  10  -3.871   6.597  -0.811
   73    HG   LEU  10           HG       LEU  10  -6.450   6.707  -1.506
   74   HD11  LEU  10          HD11      LEU  10  -7.211   5.270   0.310
   75   HD12  LEU  10          HD12      LEU  10  -7.851   6.903   0.484
   76   HD13  LEU  10          HD13      LEU  10  -6.505   6.373   1.491
   77   HD21  LEU  10          HD21      LEU  10  -5.141   8.379   0.634
   78   HD22  LEU  10          HD22      LEU  10  -6.564   8.840  -0.300
   79   HD23  LEU  10          HD23      LEU  10  -5.013   8.621  -1.109
   80    H    CYS  11           HN       CYS  11  -3.109   5.054  -3.422
   81    HA   CYS  11           HA       CYS  11  -0.890   3.620  -2.124
   82    HB2  CYS  11           HB2      CYS  11  -1.785   3.342  -4.996
   83    HB3  CYS  11           HB1      CYS  11  -0.291   2.674  -4.346
   84    H    THR  12           HN       THR  12   1.159   4.341  -2.532
   85    HA   THR  12           HA       THR  12   1.377   6.990  -3.715
   86    HB   THR  12           HB       THR  12   3.692   6.831  -2.554
   87    HG1  THR  12           HG1      THR  12   2.435   5.089  -0.766
   88   HG21  THR  12          HG21      THR  12   1.148   6.973  -0.917
   89   HG22  THR  12          HG22      THR  12   1.892   8.317  -1.782
   90   HG23  THR  12          HG23      THR  12   2.723   7.585  -0.410
   91    H    LYS  13           HN       LYS  13   3.488   4.165  -3.446
   92    HA   LYS  13           HA       LYS  13   3.945   4.074  -6.313
   93    HB2  LYS  13           HB2      LYS  13   6.110   4.796  -4.347
   94    HB3  LYS  13           HB1      LYS  13   6.495   3.998  -5.863
   95    HG2  LYS  13           HG2      LYS  13   5.490   5.841  -7.100
   96    HG3  LYS  13           HG1      LYS  13   5.072   6.638  -5.583
   97    HD2  LYS  13           HD2      LYS  13   7.453   6.774  -5.008
   98    HD3  LYS  13           HD1      LYS  13   7.864   5.990  -6.534
   99    HE2  LYS  13           HE2      LYS  13   6.306   8.561  -6.384
  100    HE3  LYS  13           HE1      LYS  13   8.066   8.517  -6.471
  101    HZ1  LYS  13           HZ1      LYS  13   6.210   7.362  -8.485
  102    HZ2  LYS  13           HZ2      LYS  13   7.898   7.339  -8.573
  103    HZ3  LYS  13           HZ3      LYS  13   7.069   8.811  -8.654
  104    H    SER  14           HN       SER  14   3.405   2.542  -3.478
  105    HA   SER  14           HA       SER  14   3.236   0.382  -2.842
  106    HB2  SER  14           HB2      SER  14   4.392  -0.387  -5.527
  107    HB3  SER  14           HB1      SER  14   3.584  -1.469  -4.394
  108    HG   SER  14           HG       SER  14   1.706  -0.728  -5.020
  109    H    ILE  15           HN       ILE  15   6.293   1.037  -4.444
  110    HA   ILE  15           HA       ILE  15   7.756   0.169  -2.094
  111    HB   ILE  15           HB       ILE  15   7.518  -1.927  -3.392
  112   HG12  ILE  15          HG12      ILE  15  10.083  -2.339  -3.761
  113   HG13  ILE  15          HG11      ILE  15  10.249  -0.749  -3.029
  114   HG21  ILE  15          HG21      ILE  15   9.009  -0.513  -5.595
  115   HG22  ILE  15          HG22      ILE  15   7.336  -1.071  -5.642
  116   HG23  ILE  15          HG23      ILE  15   8.653  -2.241  -5.544
  117   HD11  ILE  15          HD11      ILE  15   9.026  -3.209  -1.806
  118   HD12  ILE  15          HD12      ILE  15   8.945  -1.605  -1.078
  119   HD13  ILE  15          HD13      ILE  15  10.509  -2.384  -1.323
  120    HA   PRO  16           HA       PRO  16   9.996   0.455  -1.158
  121    HB2  PRO  16           HB2      PRO  16  10.494   3.224  -0.219
  122    HB3  PRO  16           HB1      PRO  16  11.509   1.777  -0.073
  123    HG2  PRO  16           HG2      PRO  16  12.167   3.678  -1.768
  124    HG3  PRO  16           HG1      PRO  16  12.338   1.968  -2.220
  125    HD2  PRO  16           HD2      PRO  16  10.188   3.908  -2.985
  126    HD3  PRO  16           HD1      PRO  16  11.050   2.729  -3.995
  127    HA   PRO  17           HA       PRO  17   6.712   3.305   1.290
  128    HB2  PRO  17           HB2      PRO  17   4.662   4.153  -0.378
  129    HB3  PRO  17           HB1      PRO  17   6.005   5.171   0.174
  130    HG2  PRO  17           HG2      PRO  17   5.708   3.686  -2.409
  131    HG3  PRO  17           HG1      PRO  17   6.295   5.341  -2.123
  132    HD2  PRO  17           HD2      PRO  17   8.009   3.379  -2.574
  133    HD3  PRO  17           HD1      PRO  17   8.360   4.612  -1.345
  134    H    ILE  18           HN       ILE  18   3.847   3.099   0.624
  135    HA   ILE  18           HA       ILE  18   3.523   0.175   0.473
  136    HB   ILE  18           HB       ILE  18   2.182   2.029   2.465
  137   HG12  ILE  18          HG12      ILE  18   4.470   1.572   3.137
  138   HG13  ILE  18          HG11      ILE  18   3.371   0.713   4.202
  139   HG21  ILE  18          HG21      ILE  18   0.608   0.301   1.817
  140   HG22  ILE  18          HG22      ILE  18   1.158   0.034   3.471
  141   HG23  ILE  18          HG23      ILE  18   1.802  -0.952   2.157
  142   HD11  ILE  18          HD11      ILE  18   3.830  -1.352   2.822
  143   HD12  ILE  18          HD12      ILE  18   5.190  -0.737   3.761
  144   HD13  ILE  18          HD13      ILE  18   5.109  -0.432   2.026
  Start of MODEL   19
    1    H    CYS   1           HN       CYS   1   1.370  -0.629  -1.214
    2    HA   CYS   1           HA       CYS   1  -0.771   1.274  -1.725
    3    HB2  CYS   1           HB2      CYS   1   0.919   0.083  -3.881
    4    HB3  CYS   1           HB1      CYS   1  -0.806   0.260  -4.181
    5    H    LYS   2           HN       LYS   2  -2.766   0.306  -2.294
    6    HA   LYS   2           HA       LYS   2  -4.451  -1.198  -2.146
    7    HB2  LYS   2           HB2      LYS   2  -2.286  -3.181  -2.869
    8    HB3  LYS   2           HB1      LYS   2  -3.992  -3.592  -2.755
    9    HG2  LYS   2           HG2      LYS   2  -4.482  -1.953  -4.527
   10    HG3  LYS   2           HG1      LYS   2  -2.756  -1.612  -4.662
   11    HD2  LYS   2           HD2      LYS   2  -2.341  -3.947  -5.273
   12    HD3  LYS   2           HD1      LYS   2  -4.065  -4.295  -5.125
   13    HE2  LYS   2           HE2      LYS   2  -3.662  -4.000  -7.431
   14    HE3  LYS   2           HE1      LYS   2  -4.440  -2.514  -6.886
   15    HZ1  LYS   2           HZ1      LYS   2  -2.568  -2.051  -8.338
   16    HZ2  LYS   2           HZ2      LYS   2  -1.520  -2.886  -7.306
   17    HZ3  LYS   2           HZ3      LYS   2  -2.263  -1.461  -6.782
   18    H    ARG   3           HN       ARG   3  -5.449  -1.654  -0.341
   19    HA   ARG   3           HA       ARG   3  -4.073  -3.219   1.733
   20    HB2  ARG   3           HB2      ARG   3  -5.624  -0.654   2.076
   21    HB3  ARG   3           HB1      ARG   3  -5.344  -1.758   3.414
   22    HG2  ARG   3           HG2      ARG   3  -2.932  -1.498   3.129
   23    HG3  ARG   3           HG1      ARG   3  -3.210  -0.395   1.781
   24    HD2  ARG   3           HD2      ARG   3  -4.393   1.135   3.286
   25    HD3  ARG   3           HD1      ARG   3  -4.102   0.032   4.631
   26    HE   ARG   3           HE       ARG   3  -1.636   0.653   3.487
   27   HH11  ARG   3          HH11      ARG   3  -4.168   2.319   5.261
   28   HH12  ARG   3          HH12      ARG   3  -3.081   3.480   5.947
   29   HH21  ARG   3          HH21      ARG   3  -0.232   2.183   4.396
   30   HH22  ARG   3          HH22      ARG   3  -0.855   3.402   5.457
   31    HA   PRO   4           HA       PRO   4  -7.777  -5.720   1.938
   32    HB2  PRO   4           HB2      PRO   4  -7.786  -5.616   4.897
   33    HB3  PRO   4           HB1      PRO   4  -7.583  -7.012   3.823
   34    HG2  PRO   4           HG2      PRO   4  -5.544  -6.069   5.230
   35    HG3  PRO   4           HG1      PRO   4  -5.324  -6.681   3.577
   36    HD2  PRO   4           HD2      PRO   4  -5.499  -3.847   4.526
   37    HD3  PRO   4           HD1      PRO   4  -4.391  -4.575   3.346
   38    HA   PRO   5           HA       PRO   5 -11.481  -3.273   2.564
   39    HB2  PRO   5           HB2      PRO   5 -12.775  -5.514   4.026
   40    HB3  PRO   5           HB1      PRO   5 -13.296  -4.681   2.550
   41    HG2  PRO   5           HG2      PRO   5 -12.330  -7.135   2.429
   42    HG3  PRO   5           HG1      PRO   5 -11.925  -5.932   1.187
   43    HD2  PRO   5           HD2      PRO   5 -10.268  -6.899   3.482
   44    HD3  PRO   5           HD1      PRO   5  -9.789  -6.558   1.807
   45    H    GLY   6           HN       GLY   6 -12.695  -2.088   4.076
   46    HA2  GLY   6           HA2      GLY   6 -13.416  -1.813   6.422
   47    HA3  GLY   6           HA1      GLY   6 -11.813  -2.360   6.886
   48    H    PHE   7           HN       PHE   7 -10.668  -0.730   4.609
   49    HA   PHE   7           HA       PHE   7 -10.990   1.968   5.742
   50    HB2  PHE   7           HB2      PHE   7  -8.409   0.523   5.114
   51    HB3  PHE   7           HB1      PHE   7  -8.497   2.265   5.346
   52    HD1  PHE   7           HD1      PHE   7  -8.678  -1.003   6.970
   53    HD2  PHE   7           HD2      PHE   7  -8.898   3.210   7.538
   54    HE1  PHE   7           HE1      PHE   7  -8.440  -1.321   9.398
   55    HE2  PHE   7           HE2      PHE   7  -8.660   2.898   9.966
   56    HZ   PHE   7           HZ       PHE   7  -8.431   0.630  10.900
   57    H    SER   8           HN       SER   8 -10.064   3.682   4.257
   58    HA   SER   8           HA       SER   8 -11.139   3.298   1.626
   59    HB2  SER   8           HB2      SER   8  -9.895   5.638   3.077
   60    HB3  SER   8           HB1      SER   8 -10.339   5.749   1.374
   61    HG   SER   8           HG       SER   8 -12.234   6.234   2.144
   62    HA   PRO   9           HA       PRO   9  -7.224   2.558  -0.477
   63    HB2  PRO   9           HB2      PRO   9  -7.626   4.307  -2.753
   64    HB3  PRO   9           HB1      PRO   9  -7.854   2.552  -2.663
   65    HG2  PRO   9           HG2      PRO   9  -9.905   4.275  -3.023
   66    HG3  PRO   9           HG1      PRO   9 -10.079   2.722  -2.180
   67    HD2  PRO   9           HD2      PRO   9  -9.708   5.464  -1.020
   68    HD3  PRO   9           HD1      PRO   9 -10.882   4.205  -0.569
   69    H    LEU  10           HN       LEU  10  -5.359   3.229   0.323
   70    HA   LEU  10           HA       LEU  10  -4.408   5.936  -0.290
   71    HB2  LEU  10           HB2      LEU  10  -4.317   4.618   2.427
   72    HB3  LEU  10           HB1      LEU  10  -3.371   6.030   2.001
   73    HG   LEU  10           HG       LEU  10  -5.796   6.975   1.377
   74   HD11  LEU  10          HD11      LEU  10  -6.312   5.011   3.607
   75   HD12  LEU  10          HD12      LEU  10  -6.970   4.924   1.973
   76   HD13  LEU  10          HD13      LEU  10  -7.433   6.249   3.038
   77   HD21  LEU  10          HD21      LEU  10  -4.214   8.029   2.884
   78   HD22  LEU  10          HD22      LEU  10  -4.614   6.866   4.149
   79   HD23  LEU  10          HD23      LEU  10  -5.828   8.020   3.596
   80    H    CYS  11           HN       CYS  11  -2.149   6.141  -0.456
   81    HA   CYS  11           HA       CYS  11  -0.623   3.630  -0.415
   82    HB2  CYS  11           HB2      CYS  11  -0.844   5.627  -2.649
   83    HB3  CYS  11           HB1      CYS  11   0.608   4.650  -2.472
   84    H    THR  12           HN       THR  12   0.088   4.409   1.664
   85    HA   THR  12           HA       THR  12   2.491   6.004   1.437
   86    HB   THR  12           HB       THR  12   0.998   7.768   1.928
   87    HG1  THR  12           HG1      THR  12   2.043   7.184   4.489
   88   HG21  THR  12          HG21      THR  12  -0.054   6.155   4.269
   89   HG22  THR  12          HG22      THR  12  -0.939   6.526   2.788
   90   HG23  THR  12          HG23      THR  12  -0.500   7.822   3.901
   91    H    LYS  13           HN       LYS  13   3.761   6.045   3.385
   92    HA   LYS  13           HA       LYS  13   3.380   4.376   5.612
   93    HB2  LYS  13           HB2      LYS  13   3.748   2.656   3.681
   94    HB3  LYS  13           HB1      LYS  13   5.431   3.145   3.779
   95    HG2  LYS  13           HG2      LYS  13   4.992   2.632   6.368
   96    HG3  LYS  13           HG1      LYS  13   3.810   1.533   5.656
   97    HD2  LYS  13           HD2      LYS  13   5.618   0.590   4.238
   98    HD3  LYS  13           HD1      LYS  13   6.771   1.630   5.072
   99    HE2  LYS  13           HE2      LYS  13   6.929  -0.474   6.124
  100    HE3  LYS  13           HE1      LYS  13   5.997   0.542   7.221
  101    HZ1  LYS  13           HZ1      LYS  13   3.970  -0.477   6.385
  102    HZ2  LYS  13           HZ2      LYS  13   5.016  -1.652   7.005
  103    HZ3  LYS  13           HZ3      LYS  13   4.866  -1.454   5.332
  104    H    SER  14           HN       SER  14   6.470   4.370   3.990
  105    HA   SER  14           HA       SER  14   7.453   6.812   5.091
  106    HB2  SER  14           HB2      SER  14   7.508   5.315   7.113
  107    HB3  SER  14           HB1      SER  14   8.622   4.262   6.241
  108    HG   SER  14           HG       SER  14   9.031   6.847   7.256
  109    H    ILE  15           HN       ILE  15   8.865   3.663   4.338
  110    HA   ILE  15           HA       ILE  15   9.685   4.175   1.729
  111    HB   ILE  15           HB       ILE  15  11.187   5.875   2.712
  112   HG12  ILE  15          HG12      ILE  15  13.436   4.754   1.867
  113   HG13  ILE  15          HG11      ILE  15  12.331   3.508   1.296
  114   HG21  ILE  15          HG21      ILE  15  11.591   4.950   4.902
  115   HG22  ILE  15          HG22      ILE  15  13.123   5.254   4.080
  116   HG23  ILE  15          HG23      ILE  15  12.498   3.609   4.199
  117   HD11  ILE  15          HD11      ILE  15  12.805   5.113  -0.452
  118   HD12  ILE  15          HD12      ILE  15  12.240   6.430   0.575
  119   HD13  ILE  15          HD13      ILE  15  11.108   5.199   0.017
  120    HA   PRO  16           HA       PRO  16  10.276   3.011   0.023
  121    HB2  PRO  16           HB2      PRO  16   9.089   0.475  -0.877
  122    HB3  PRO  16           HB1      PRO  16  10.553   1.283  -1.461
  123    HG2  PRO  16           HG2      PRO  16  10.654  -1.022  -0.104
  124    HG3  PRO  16           HG1      PRO  16  11.915   0.221   0.039
  125    HD2  PRO  16           HD2      PRO  16   9.621  -0.346   1.884
  126    HD3  PRO  16           HD1      PRO  16  11.330  -0.047   2.274
  127    HA   PRO  17           HA       PRO  17   5.825   3.792   0.118
  128    HB2  PRO  17           HB2      PRO  17   5.196   3.220  -2.680
  129    HB3  PRO  17           HB1      PRO  17   5.309   4.791  -1.864
  130    HG2  PRO  17           HG2      PRO  17   7.108   4.041  -3.722
  131    HG3  PRO  17           HG1      PRO  17   7.562   5.034  -2.318
  132    HD2  PRO  17           HD2      PRO  17   7.860   2.071  -2.701
  133    HD3  PRO  17           HD1      PRO  17   9.058   3.254  -2.126
  134    H    ILE  18           HN       ILE  18   3.618   3.002  -0.056
  135    HA   ILE  18           HA       ILE  18   3.382   0.101  -0.504
  136    HB   ILE  18           HB       ILE  18   2.275   1.646   1.862
  137   HG12  ILE  18          HG12      ILE  18   4.616   1.109   2.192
  138   HG13  ILE  18          HG11      ILE  18   3.639   0.094   3.239
  139   HG21  ILE  18          HG21      ILE  18   1.348  -0.475   2.691
  140   HG22  ILE  18          HG22      ILE  18   1.818  -1.261   1.184
  141   HG23  ILE  18          HG23      ILE  18   0.611   0.025   1.168
  142   HD11  ILE  18          HD11      ILE  18   5.131  -0.700   0.750
  143   HD12  ILE  18          HD12      ILE  18   3.917  -1.733   1.502
  144   HD13  ILE  18          HD13      ILE  18   5.364  -1.277   2.402
  Start of MODEL   20
    1    H    CYS   1           HN       CYS   1   0.930  -0.739  -1.175
    2    HA   CYS   1           HA       CYS   1  -0.982   1.414  -1.524
    3    HB2  CYS   1           HB2      CYS   1   0.325   0.071  -3.805
    4    HB3  CYS   1           HB1      CYS   1  -1.429   0.196  -3.906
    5    H    LYS   2           HN       LYS   2  -3.147   0.720  -1.794
    6    HA   LYS   2           HA       LYS   2  -4.985  -0.531  -1.387
    7    HB2  LYS   2           HB2      LYS   2  -3.159  -2.827  -2.105
    8    HB3  LYS   2           HB1      LYS   2  -4.856  -3.047  -1.704
    9    HG2  LYS   2           HG2      LYS   2  -5.487  -1.612  -3.580
   10    HG3  LYS   2           HG1      LYS   2  -3.783  -1.393  -3.982
   11    HD2  LYS   2           HD2      LYS   2  -3.568  -3.806  -4.360
   12    HD3  LYS   2           HD1      LYS   2  -5.274  -4.018  -3.966
   13    HE2  LYS   2           HE2      LYS   2  -5.160  -3.997  -6.320
   14    HE3  LYS   2           HE1      LYS   2  -5.770  -2.409  -5.859
   15    HZ1  LYS   2           HZ1      LYS   2  -2.958  -3.037  -6.589
   16    HZ2  LYS   2           HZ2      LYS   2  -3.542  -1.514  -6.145
   17    HZ3  LYS   2           HZ3      LYS   2  -4.080  -2.240  -7.573
   18    H    ARG   3           HN       ARG   3  -5.703  -0.411   0.587
   19    HA   ARG   3           HA       ARG   3  -4.467  -2.060   2.686
   20    HB2  ARG   3           HB2      ARG   3  -5.133   0.853   2.713
   21    HB3  ARG   3           HB1      ARG   3  -5.310  -0.062   4.204
   22    HG2  ARG   3           HG2      ARG   3  -2.942  -0.785   3.967
   23    HG3  ARG   3           HG1      ARG   3  -2.802   0.301   2.582
   24    HD2  ARG   3           HD2      ARG   3  -3.191   2.213   3.929
   25    HD3  ARG   3           HD1      ARG   3  -3.699   1.227   5.301
   26    HE   ARG   3           HE       ARG   3  -0.979   0.795   4.411
   27   HH11  ARG   3          HH11      ARG   3  -3.052   2.567   6.624
   28   HH12  ARG   3          HH12      ARG   3  -1.765   2.923   7.727
   29   HH21  ARG   3          HH21      ARG   3   0.689   1.264   5.875
   30   HH22  ARG   3          HH22      ARG   3   0.351   2.185   7.301
   31    HA   PRO   4           HA       PRO   4  -8.530  -3.633   3.725
   32    HB2  PRO   4           HB2      PRO   4  -8.162  -2.713   6.539
   33    HB3  PRO   4           HB1      PRO   4  -8.540  -4.334   5.925
   34    HG2  PRO   4           HG2      PRO   4  -6.131  -3.797   6.838
   35    HG3  PRO   4           HG1      PRO   4  -6.345  -4.793   5.383
   36    HD2  PRO   4           HD2      PRO   4  -5.521  -1.928   5.600
   37    HD3  PRO   4           HD1      PRO   4  -4.920  -3.201   4.517
   38    HA   PRO   5           HA       PRO   5 -11.594  -0.369   3.726
   39    HB2  PRO   5           HB2      PRO   5 -13.240  -1.827   5.721
   40    HB3  PRO   5           HB1      PRO   5 -13.654  -1.316   4.074
   41    HG2  PRO   5           HG2      PRO   5 -13.223  -3.866   4.622
   42    HG3  PRO   5           HG1      PRO   5 -12.658  -3.147   3.101
   43    HD2  PRO   5           HD2      PRO   5 -11.097  -3.805   5.567
   44    HD3  PRO   5           HD1      PRO   5 -10.663  -4.030   3.861
   45    H    GLY   6           HN       GLY   6 -11.673   1.550   4.677
   46    HA2  GLY   6           HA2      GLY   6 -11.700   1.756   7.603
   47    HA3  GLY   6           HA1      GLY   6 -10.412   2.572   6.726
   48    H    PHE   7           HN       PHE   7 -10.827   4.459   5.641
   49    HA   PHE   7           HA       PHE   7 -13.573   5.489   5.715
   50    HB2  PHE   7           HB2      PHE   7 -11.952   6.373   7.559
   51    HB3  PHE   7           HB1      PHE   7 -11.253   7.315   6.249
   52    HD1  PHE   7           HD1      PHE   7 -12.488   9.127   5.220
   53    HD2  PHE   7           HD2      PHE   7 -14.168   6.848   8.399
   54    HE1  PHE   7           HE1      PHE   7 -14.222  10.844   5.531
   55    HE2  PHE   7           HE2      PHE   7 -15.906   8.562   8.713
   56    HZ   PHE   7           HZ       PHE   7 -15.935  10.562   7.278
   57    H    SER   8           HN       SER   8 -10.334   6.002   4.411
   58    HA   SER   8           HA       SER   8 -11.485   6.520   1.783
   59    HB2  SER   8           HB2      SER   8 -10.040   8.511   1.444
   60    HB3  SER   8           HB1      SER   8 -11.125   8.743   2.814
   61    HG   SER   8           HG       SER   8  -8.382   8.019   2.919
   62    HA   PRO   9           HA       PRO   9  -7.865   4.102   0.557
   63    HB2  PRO   9           HB2      PRO   9  -7.317   5.407  -1.956
   64    HB3  PRO   9           HB1      PRO   9  -8.252   3.927  -1.680
   65    HG2  PRO   9           HG2      PRO   9  -9.353   6.230  -2.610
   66    HG3  PRO   9           HG1      PRO   9 -10.249   5.021  -1.667
   67    HD2  PRO   9           HD2      PRO   9  -8.959   7.565  -0.733
   68    HD3  PRO   9           HD1      PRO   9 -10.588   6.937  -0.380
   69    H    LEU  10           HN       LEU  10  -5.737   4.012   0.965
   70    HA   LEU  10           HA       LEU  10  -4.084   6.419   0.618
   71    HB2  LEU  10           HB2      LEU  10  -4.221   4.697   3.096
   72    HB3  LEU  10           HB1      LEU  10  -2.940   5.851   2.786
   73    HG   LEU  10           HG       LEU  10  -5.007   7.518   2.551
   74   HD11  LEU  10          HD11      LEU  10  -6.004   5.410   4.465
   75   HD12  LEU  10          HD12      LEU  10  -6.707   5.804   2.895
   76   HD13  LEU  10          HD13      LEU  10  -6.733   6.993   4.196
   77   HD21  LEU  10          HD21      LEU  10  -3.142   7.797   4.078
   78   HD22  LEU  10          HD22      LEU  10  -3.823   6.584   5.162
   79   HD23  LEU  10          HD23      LEU  10  -4.666   8.113   4.907
   80    H    CYS  11           HN       CYS  11  -1.873   6.035   0.252
   81    HA   CYS  11           HA       CYS  11  -1.124   3.235  -0.217
   82    HB2  CYS  11           HB2      CYS  11  -1.095   5.501  -2.144
   83    HB3  CYS  11           HB1      CYS  11   0.262   4.383  -2.205
   84    H    THR  12           HN       THR  12  -0.266   3.825   2.026
   85    HA   THR  12           HA       THR  12   2.579   4.189   1.790
   86    HB   THR  12           HB       THR  12   1.455   6.015   3.870
   87    HG1  THR  12           HG1      THR  12   1.712   6.799   1.130
   88   HG21  THR  12          HG21      THR  12   3.493   7.295   3.311
   89   HG22  THR  12          HG22      THR  12   3.840   6.173   1.994
   90   HG23  THR  12          HG23      THR  12   3.881   5.611   3.665
   91    H    LYS  13           HN       LYS  13   3.732   3.500   3.612
   92    HA   LYS  13           HA       LYS  13   2.207   2.329   5.818
   93    HB2  LYS  13           HB2      LYS  13   2.932   0.662   3.925
   94    HB3  LYS  13           HB1      LYS  13   4.520   0.811   4.657
   95    HG2  LYS  13           HG2      LYS  13   3.616   0.020   6.786
   96    HG3  LYS  13           HG1      LYS  13   2.015  -0.116   6.058
   97    HD2  LYS  13           HD2      LYS  13   2.899  -1.758   4.456
   98    HD3  LYS  13           HD1      LYS  13   4.484  -1.635   5.220
   99    HE2  LYS  13           HE2      LYS  13   3.532  -2.442   7.325
  100    HE3  LYS  13           HE1      LYS  13   1.947  -2.561   6.561
  101    HZ1  LYS  13           HZ1      LYS  13   3.052  -4.705   6.641
  102    HZ2  LYS  13           HZ2      LYS  13   4.366  -4.093   5.769
  103    HZ3  LYS  13           HZ3      LYS  13   2.846  -4.207   5.038
  104    H    SER  14           HN       SER  14   5.548   2.600   4.703
  105    HA   SER  14           HA       SER  14   6.336   4.409   6.766
  106    HB2  SER  14           HB2      SER  14   6.316   2.236   8.029
  107    HB3  SER  14           HB1      SER  14   7.536   1.630   6.910
  108    HG   SER  14           HG       SER  14   8.353   3.985   7.832
  109    H    ILE  15           HN       ILE  15   8.045   1.846   5.048
  110    HA   ILE  15           HA       ILE  15   8.994   3.316   2.881
  111    HB   ILE  15           HB       ILE  15  10.259   4.627   4.561
  112   HG12  ILE  15          HG12      ILE  15  12.652   4.034   3.581
  113   HG13  ILE  15          HG11      ILE  15  11.701   3.032   2.491
  114   HG21  ILE  15          HG21      ILE  15  11.674   2.055   5.234
  115   HG22  ILE  15          HG22      ILE  15  10.604   2.978   6.289
  116   HG23  ILE  15          HG23      ILE  15  12.151   3.661   5.786
  117   HD11  ILE  15          HD11      ILE  15  11.413   6.002   2.889
  118   HD12  ILE  15          HD12      ILE  15  10.413   5.012   1.826
  119   HD13  ILE  15          HD13      ILE  15  12.138   5.192   1.502
  120    HA   PRO  16           HA       PRO  16   9.953   2.898   0.939
  121    HB2  PRO  16           HB2      PRO  16   9.049   0.787  -0.914
  122    HB3  PRO  16           HB1      PRO  16  10.477   1.828  -1.026
  123    HG2  PRO  16           HG2      PRO  16  10.695  -0.784  -0.547
  124    HG3  PRO  16           HG1      PRO  16  11.794   0.399   0.195
  125    HD2  PRO  16           HD2      PRO  16   9.387  -0.932   1.390
  126    HD3  PRO  16           HD1      PRO  16  11.008  -0.708   2.086
  127    HA   PRO  17           HA       PRO  17   5.489   3.578   0.642
  128    HB2  PRO  17           HB2      PRO  17   5.246   3.573  -2.298
  129    HB3  PRO  17           HB1      PRO  17   5.008   4.910  -1.154
  130    HG2  PRO  17           HG2      PRO  17   7.119   4.885  -2.786
  131    HG3  PRO  17           HG1      PRO  17   7.262   5.467  -1.112
  132    HD2  PRO  17           HD2      PRO  17   7.990   2.782  -2.237
  133    HD3  PRO  17           HD1      PRO  17   8.940   3.849  -1.178
  134    H    ILE  18           HN       ILE  18   3.390   2.711   0.199
  135    HA   ILE  18           HA       ILE  18   3.344   0.030  -0.993
  136    HB   ILE  18           HB       ILE  18   3.389   0.467   1.717
  137   HG12  ILE  18          HG12      ILE  18   3.928  -1.646   0.651
  138   HG13  ILE  18          HG11      ILE  18   2.808  -1.907   1.974
  139   HG21  ILE  18          HG21      ILE  18   1.208   1.399   1.915
  140   HG22  ILE  18          HG22      ILE  18   1.190  -0.212   2.631
  141   HG23  ILE  18          HG23      ILE  18   0.489   0.050   1.033
  142   HD11  ILE  18          HD11      ILE  18   0.976  -2.113   0.300
  143   HD12  ILE  18          HD12      ILE  18   2.226  -3.347   0.156
  144   HD13  ILE  18          HD13      ILE  18   2.188  -1.995  -0.975