*HEADER    DE NOVO PROTEIN                         25-OCT-17   6BET              
*TITLE     SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN12_SS                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: H(DPR)(DVA)CIP(DPR)E(DLY)VC(DGL);                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_TAXID: 9606                                                 
*KEYWDS    MACROCYCLE, DE NOVO, DE NOVO PROTEIN                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.D.SHORTRIDGE,P.HOSSEINZADEH,F.PARDO-AVILA,G.VARANI,D.BAKER          
*REVDAT   1   27-DEC-17 6BET    0                                                
# Restraints file 1: 12mer_noe.tbl
 assign ( resid  1 and name HB#  ) ( resid  1 and name HN   ) 3.5 1.2 1.2
 assign ( resid  3 and name HA   ) ( resid  4 and name HN   ) 3.5 1.2 1.2
 assign ( resid  4 and name HA   ) ( resid  5 and name HN   ) 3.5 1.2 1.2
 assign ( resid  5 and name HB#  ) ( resid  5 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HA   ) ( resid  6 and name HB1  ) 3.5 1.2 1.2
 assign ( resid  6 and name HA   ) ( resid  7 and name HD1  ) 3.5 1.2 1.2
 assign ( resid  6 and name HA   ) ( resid  7 and name HD2  ) 3.5 1.2 1.2
 assign ( resid  6 and name HD2  ) ( resid  6 and name HD1  ) 3.5 1.2 1.2
 assign ( resid  8 and name HA   ) ( resid  8 and name HN   ) 3.5 1.2 1.2
 assign ( resid  9 and name HA   ) ( resid  9 and name HN   ) 3.5 1.2 1.2
 assign ( resid 10 and name HA   ) ( resid 11 and name HN   ) 3.5 1.2 1.2
 assign ( resid 10 and name HG#  ) ( resid 10 and name HA   ) 3.5 1.2 1.2
 assign ( resid 11 and name HA   ) ( resid 12 and name HN   ) 3.5 1.2 1.2
 assign ( resid 12 and name HA   ) ( resid  1 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HA   ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  1 and name HB#  ) ( resid  1 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  1 and name HB#  ) ( resid  2 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  1 and name HE1  ) ( resid  1 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  2 and name HA   ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HD1  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HD2  ) ( resid  2 and name HB#  ) 4.5 1.6 1.6
 assign ( resid  2 and name HD2  ) ( resid  2 and name HG#  ) 4.5 1.6 1.6
 assign ( resid  2 and name HD2  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HA   ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HA   ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB#  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB#  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HB#  ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HG1# ) ( resid  1 and name HB#  ) 4.5 1.6 1.6
 assign ( resid  3 and name HG1# ) ( resid  3 and name HA   ) 4.5 1.6 1.6
 assign ( resid  3 and name HG1# ) ( resid 11 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  3 and name HG2# ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HG2# ) ( resid  3 and name HA   ) 4.5 1.6 1.6
 assign ( resid  3 and name HN   ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HA   ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HA   ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HB1  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HB1  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HB2  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HB2  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HA   ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD1# ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD1# ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG1# ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG1# ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG2# ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG2# ) ( resid  6 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  5 and name HG2# ) ( resid  6 and name HD2  ) 4.5 1.6 1.6
 assign ( resid  5 and name HG2# ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG2# ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HN   ) ( resid 11 and name HA   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  6 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  6 and name HD1  ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  6 and name HG1  ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  6 and name HG2  ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HD1  ) ( resid  5 and name HA   ) 4.5 1.6 1.6
 assign ( resid  6 and name HD2  ) ( resid  5 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HA   ) ( resid  7 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  7 and name HA   ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD1  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  7 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  7 and name HG1  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  7 and name HG2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB1  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB1  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HG#  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HB#  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HD#  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HE#  ) ( resid  9 and name HA   ) 4.5 1.6 1.6
 assign ( resid  9 and name HG#  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HA   ) ( resid 10 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HB#  ) ( resid 10 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HB#  ) ( resid 11 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HG#  ) ( resid  1 and name HB#  ) 4.5 1.6 1.6
 assign ( resid 10 and name HG#  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HG#  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HG#  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HG#  ) ( resid 11 and name HB1  ) 4.5 1.6 1.6
 assign ( resid 10 and name HG#  ) ( resid 11 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HG#  ) ( resid 12 and name HG#  ) 4.5 1.6 1.6
 assign ( resid 10 and name HG#  ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HN   ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid 10 and name HN   ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid 11 and name HA   ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid 11 and name HA   ) ( resid 11 and name HN   ) 4.5 1.6 1.6
 assign ( resid 11 and name HB1  ) ( resid 11 and name HN   ) 4.5 1.6 1.6
 assign ( resid 11 and name HB1  ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid 11 and name HB2  ) ( resid 11 and name HN   ) 4.5 1.6 1.6
 assign ( resid 11 and name HB2  ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid 11 and name HN   ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid 12 and name HA   ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid 12 and name HB1  ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid 12 and name HB2  ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid 12 and name HG#  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid 12 and name HG#  ) ( resid 12 and name HN   ) 4.5 1.6 1.6
 assign ( resid 12 and name HN   ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid 12 and name HN   ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid 12 and name HN   ) ( resid  4 and name HA   ) 4.5 1.6 1.6
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   HIS   1           H1       HIS   1  38.980  25.800  36.130
    2    HA   HIS   1           HA       HIS   1  41.590  25.760  36.370
    3    HB2  HIS   1           HB2      HIS   1  39.780  25.320  38.130
    4    HB3  HIS   1           HB1      HIS   1  39.860  23.610  37.700
    5    HD1  HIS   1           HD1      HIS   1  41.960  22.310  38.790
    6    HD2  HIS   1           HD2      HIS   1  41.980  26.600  39.080
    7    HE1  HIS   1           HE1      HIS   1  43.700  23.010  40.550
    8    HE2  HIS   1           HE2      HIS   1  43.650  25.490  40.780
    9    HA   DPR   2           HA       DPR   2  42.970  21.840  34.890
   10    HB2  DPR   2           HB1      DPR   2  45.700  22.340  34.620
   11    HB3  DPR   2           HB2      DPR   2  44.920  22.420  36.190
   12    HG2  DPR   2           HG1      DPR   2  45.370  24.870  34.470
   13    HG3  DPR   2           HG2      DPR   2  45.950  24.550  36.180
   14    HD2  DPR   2           HD1      DPR   2  43.660  25.810  35.530
   15    HD3  DPR   2           HD2      DPR   2  43.670  24.830  36.990
   16    H    DVA   3           H        DVA   3  42.050  24.220  33.070
   17    HA   DVA   3           HA       DVA   3  42.710  22.920  30.460
   18    HB   DVA   3           HB       DVA   3  43.190  25.140  29.650
   19   HG11  DVA   3          1HG1      DVA   3  43.350  27.170  30.970
   20   HG12  DVA   3          2HG1      DVA   3  42.990  26.210  32.450
   21   HG13  DVA   3          3HG1      DVA   3  41.760  26.510  31.270
   22   HG21  DVA   3          1HG2      DVA   3  44.900  24.690  32.070
   23   HG22  DVA   3          2HG2      DVA   3  45.300  25.330  30.430
   24   HG23  DVA   3          3HG2      DVA   3  44.980  23.660  30.600
   25    H    CYS   4           H        CYS   4  41.470  23.360  28.720
   26    HA   CYS   4           HA       CYS   4  38.810  23.440  29.630
   27    HB2  CYS   4           HB2      CYS   4  39.190  25.900  28.830
   28    HB3  CYS   4           HB1      CYS   4  39.620  25.320  27.250
   29    H    ILE   5           H        ILE   5  37.340  22.480  28.430
   30    HA   ILE   5           HA       ILE   5  38.320  20.960  26.080
   31    HB   ILE   5           HB       ILE   5  36.430  19.990  28.160
   32   HG12  ILE   5          2HG1      ILE   5  38.830  19.940  28.890
   33   HG13  ILE   5          1HG1      ILE   5  38.050  18.400  28.770
   34   HG21  ILE   5          1HG2      ILE   5  36.530  17.820  26.890
   35   HG22  ILE   5          2HG2      ILE   5  37.290  18.860  25.570
   36   HG23  ILE   5          3HG2      ILE   5  35.630  19.150  26.270
   37   HD11  ILE   5           HD1      ILE   5  39.660  19.530  26.460
   38   HD12  ILE   5           HD2      ILE   5  39.380  17.870  26.860
   39   HD13  ILE   5           HD3      ILE   5  40.540  18.680  27.880
   40    HA   PRO   6           HA       PRO   6  34.830  23.560  24.730
   41    HB2  PRO   6           HB2      PRO   6  35.240  23.440  22.070
   42    HB3  PRO   6           HB1      PRO   6  36.100  24.440  23.280
   43    HG2  PRO   6           HG2      PRO   6  37.020  21.890  21.910
   44    HG3  PRO   6           HG1      PRO   6  37.960  23.330  22.090
   45    HD2  PRO   6           HD2      PRO   6  38.180  21.400  24.060
   46    HD3  PRO   6           HD1      PRO   6  38.230  23.110  24.440
   47    HA   DPR   7           HA       DPR   7  32.390  20.270  22.430
   48    HB2  DPR   7           HB1      DPR   7  29.920  21.350  22.950
   49    HB3  DPR   7           HB2      DPR   7  31.050  21.620  21.570
   50    HG2  DPR   7           HG1      DPR   7  30.680  23.340  24.060
   51    HG3  DPR   7           HG2      DPR   7  30.680  23.970  22.440
   52    HD2  DPR   7           HD1      DPR   7  32.810  23.950  24.030
   53    HD3  DPR   7           HD2      DPR   7  33.150  23.700  22.340
   54    H    GLU   8           H        GLU   8  32.250  18.490  23.780
   55    HA   GLU   8           HA       GLU   8  30.720  18.670  26.290
   56    HB2  GLU   8           HB2      GLU   8  30.710  16.770  24.530
   57    HB3  GLU   8           HB1      GLU   8  32.220  16.210  25.240
   58    HG2  GLU   8           HG2      GLU   8  31.210  16.180  27.490
   59    HG3  GLU   8           HG1      GLU   8  29.700  16.770  26.750
   60    H    DLY   9           H        DLY   9  31.540  19.930  27.770
   61    HA   DLY   9           HA       DLY   9  34.350  19.720  28.410
   62    HB2  DLY   9           HB1      DLY   9  33.780  19.490  30.850
   63    HB3  DLY   9           HB2      DLY   9  33.510  18.010  29.910
   64    HG2  DLY   9           HG1      DLY   9  31.320  18.080  29.970
   65    HG3  DLY   9           HG2      DLY   9  31.130  19.780  30.500
   66    HD2  DLY   9           HD1      DLY   9  31.970  19.280  32.650
   67    HD3  DLY   9           HD2      DLY   9  32.680  17.760  32.080
   68    HE2  DLY   9           HE1      DLY   9  30.470  16.790  31.570
   69    HE3  DLY   9           HE2      DLY   9  29.590  18.160  32.050
   70    HZ1  DLY   9           HZ1      DLY   9  29.380  16.710  33.720
   71    HZ2  DLY   9           HZ2      DLY   9  30.110  18.080  34.210
   72    HZ3  DLY   9           HZ3      DLY   9  31.010  16.710  34.080
   73    H    VAL  10           H        VAL  10  34.970  21.180  30.140
   74    HA   VAL  10           HA       VAL  10  33.380  23.670  30.230
   75    HB   VAL  10           HB       VAL  10  33.930  23.870  32.580
   76   HG11  VAL  10          1HG1      VAL  10  31.940  22.860  33.230
   77   HG12  VAL  10          2HG1      VAL  10  31.890  21.700  31.850
   78   HG13  VAL  10          3HG1      VAL  10  31.830  23.320  31.500
   79   HG21  VAL  10          1HG2      VAL  10  34.290  20.930  32.620
   80   HG22  VAL  10          2HG2      VAL  10  34.110  22.070  33.950
   81   HG23  VAL  10          3HG2      VAL  10  35.660  22.080  32.880
   82    H    CYS  11           H        CYS  11  34.620  25.570  30.970
   83    HA   CYS  11           HA       CYS  11  37.540  25.370  30.490
   84    HB2  CYS  11           HB2      CYS  11  35.660  27.680  30.130
   85    HB3  CYS  11           HB1      CYS  11  37.450  27.920  30.110
   86    H    DGL  12           H        DGU  12  38.870  26.260  31.840
   87    HA   DGL  12           HA       DGU  12  37.810  26.550  34.610
   88    HB2  DGL  12           HB1      DGU  12  37.930  28.660  33.320
   89    HB3  DGL  12           HB2      DGU  12  39.690  28.560  33.350
   90    HG2  DGL  12           HG1      DGU  12  39.780  28.850  35.610
   91    HG3  DGL  12           HG2      DGU  12  37.970  28.750  35.880
  Start of MODEL    2
    1    H1   HIS   1           H1       HIS   1  38.965  24.634  35.771
    2    HA   HIS   1           HA       HIS   1  41.627  25.291  36.755
    3    HB2  HIS   1           HB2      HIS   1  39.752  24.147  38.050
    4    HB3  HIS   1           HB1      HIS   1  40.174  22.716  37.261
    5    HD1  HIS   1           HD1      HIS   1  43.093  22.065  37.835
    6    HD2  HIS   1           HD2      HIS   1  41.026  25.093  39.949
    7    HE1  HIS   1           HE1      HIS   1  44.481  22.575  39.932
    8    HE2  HIS   1           HE2      HIS   1  43.182  24.270  41.259
    9    HA   DPR   2           HA       DPR   2  43.548  21.937  34.407
   10    HB2  DPR   2           HB1      DPR   2  45.977  23.203  33.748
   11    HB3  DPR   2           HB2      DPR   2  45.589  22.568  35.345
   12    HG2  DPR   2           HG1      DPR   2  45.253  25.374  34.257
   13    HG3  DPR   2           HG2      DPR   2  46.079  24.845  35.806
   14    HD2  DPR   2           HD1      DPR   2  43.429  25.719  35.658
   15    HD3  DPR   2           HD2      DPR   2  43.915  24.490  36.815
   16    H    DVA   3           H        DVA   3  42.558  25.074  32.978
   17    HA   DVA   3           HA       DVA   3  42.924  23.949  30.273
   18    HB   DVA   3           HB       DVA   3  43.001  26.210  29.463
   19   HG11  DVA   3          1HG1      DVA   3  43.059  28.084  30.759
   20   HG12  DVA   3          2HG1      DVA   3  42.771  27.189  32.276
   21   HG13  DVA   3          3HG1      DVA   3  41.495  27.128  31.001
   22   HG21  DVA   3          1HG2      DVA   3  44.788  25.715  31.801
   23   HG22  DVA   3          2HG2      DVA   3  45.303  26.707  30.442
   24   HG23  DVA   3          3HG2      DVA   3  44.988  25.023  30.179
   25    H    CYS   4           H        CYS   4  41.426  23.967  28.723
   26    HA   CYS   4           HA       CYS   4  38.657  23.850  29.851
   27    HB2  CYS   4           HB2      CYS   4  39.061  25.925  28.577
   28    HB3  CYS   4           HB1      CYS   4  39.181  24.864  27.105
   29    H    ILE   5           H        ILE   5  37.331  22.644  28.088
   30    HA   ILE   5           HA       ILE   5  38.816  20.871  26.214
   31    HB   ILE   5           HB       ILE   5  36.649  20.101  28.100
   32   HG12  ILE   5          2HG1      ILE   5  38.981  19.827  28.997
   33   HG13  ILE   5          1HG1      ILE   5  38.230  18.288  28.774
   34   HG21  ILE   5          1HG2      ILE   5  36.588  17.980  27.142
   35   HG22  ILE   5          2HG2      ILE   5  37.797  18.279  25.924
   36   HG23  ILE   5          3HG2      ILE   5  36.177  19.097  25.792
   37   HD11  ILE   5           HD1      ILE   5  40.546  18.473  28.292
   38   HD12  ILE   5           HD2      ILE   5  40.329  19.438  26.892
   39   HD13  ILE   5           HD3      ILE   5  39.602  17.794  26.876
   40    HA   PRO   6           HA       PRO   6  35.699  22.924  23.825
   41    HB2  PRO   6           HB2      PRO   6  36.180  21.305  21.407
   42    HB3  PRO   6           HB1      PRO   6  36.771  22.863  21.620
   43    HG2  PRO   6           HG2      PRO   6  38.394  20.478  21.680
   44    HG3  PRO   6           HG1      PRO   6  38.706  22.133  22.321
   45    HD2  PRO   6           HD2      PRO   6  37.668  19.623  23.717
   46    HD3  PRO   6           HD1      PRO   6  38.929  20.641  24.300
   47    HA   DPR   7           HA       DPR   7  32.607  19.686  22.254
   48    HB2  DPR   7           HB1      DPR   7  30.399  21.093  22.295
   49    HB3  DPR   7           HB2      DPR   7  31.477  21.056  20.926
   50    HG2  DPR   7           HG1      DPR   7  31.208  23.266  23.038
   51    HG3  DPR   7           HG2      DPR   7  31.557  23.263  21.276
   52    HD2  DPR   7           HD1      DPR   7  33.673  23.467  23.117
   53    HD3  DPR   7           HD2      DPR   7  33.704  22.875  21.402
   54    H    GLU   8           H        GLU   8  31.628  18.283  23.931
   55    HA   GLU   8           HA       GLU   8  30.152  19.580  26.034
   56    HB2  GLU   8           HB2      GLU   8  29.382  17.512  24.894
   57    HB3  GLU   8           HB1      GLU   8  30.761  16.651  25.697
   58    HG2  GLU   8           HG2      GLU   8  29.831  17.052  27.871
   59    HG3  GLU   8           HG1      GLU   8  28.718  18.196  27.263
   60    H    DLY   9           H        DLY   9  31.394  20.715  27.450
   61    HA   DLY   9           HA       DLY   9  33.675  19.725  28.860
   62    HB2  DLY   9           HB1      DLY   9  32.458  19.472  30.991
   63    HB3  DLY   9           HB2      DLY   9  32.318  18.172  29.783
   64    HG2  DLY   9           HG1      DLY   9  30.096  18.921  29.228
   65    HG3  DLY   9           HG2      DLY   9  30.254  20.235  30.476
   66    HD2  DLY   9           HD1      DLY   9  30.792  18.150  32.119
   67    HD3  DLY   9           HD2      DLY   9  30.267  17.176  30.968
   68    HE2  DLY   9           HE1      DLY   9  28.329  17.560  32.308
   69    HE3  DLY   9           HE2      DLY   9  27.947  18.785  31.096
   70    HZ1  DLY   9           HZ1      DLY   9  28.937  20.390  32.656
   71    HZ2  DLY   9           HZ2      DLY   9  29.329  19.148  33.669
   72    HZ3  DLY   9           HZ3      DLY   9  27.797  19.582  33.363
   73    H    VAL  10           H        VAL  10  34.368  21.189  30.568
   74    HA   VAL  10           HA       VAL  10  33.202  23.915  30.412
   75    HB   VAL  10           HB       VAL  10  33.170  24.205  32.725
   76   HG11  VAL  10          1HG1      VAL  10  31.086  23.164  31.579
   77   HG12  VAL  10          2HG1      VAL  10  31.144  23.006  33.252
   78   HG13  VAL  10          3HG1      VAL  10  31.589  21.641  32.293
   79   HG21  VAL  10          1HG2      VAL  10  33.532  22.479  34.320
   80   HG22  VAL  10          2HG2      VAL  10  35.089  22.641  33.380
   81   HG23  VAL  10          3HG2      VAL  10  33.873  21.382  32.984
   82    H    CYS  11           H        CYS  11  34.472  25.602  31.003
   83    HA   CYS  11           HA       CYS  11  37.394  25.065  30.934
   84    HB2  CYS  11           HB2      CYS  11  36.037  27.760  30.753
   85    HB3  CYS  11           HB1      CYS  11  37.702  27.249  30.419
   86    H    DGL  12           H        DGU  12  38.786  25.766  32.439
   87    HA   DGL  12           HA       DGU  12  37.972  26.423  35.128
   88    HB2  DGL  12           HB1      DGU  12  39.781  28.256  33.591
   89    HB3  DGL  12           HB2      DGU  12  39.374  28.345  35.217
   90    HG2  DGL  12           HG1      DGU  12  36.899  28.864  34.632
   91    HG3  DGL  12           HG2      DGU  12  37.416  29.005  32.898
  Start of MODEL    3
    1    H1   HIS   1           H1       HIS   1  38.903  24.557  36.225
    2    HA   HIS   1           HA       HIS   1  41.630  24.828  36.538
    3    HB2  HIS   1           HB2      HIS   1  39.950  23.768  37.955
    4    HB3  HIS   1           HB1      HIS   1  39.961  22.290  36.983
    5    HD1  HIS   1           HD1      HIS   1  42.442  21.030  37.032
    6    HD2  HIS   1           HD2      HIS   1  41.856  24.209  39.682
    7    HE1  HIS   1           HE1      HIS   1  44.159  20.756  38.819
    8    HE2  HIS   1           HE2      HIS   1  43.858  22.619  40.550
    9    HA   DPR   2           HA       DPR   2  43.529  21.809  33.634
   10    HB2  DPR   2           HB1      DPR   2  45.258  24.011  33.026
   11    HB3  DPR   2           HB2      DPR   2  45.725  22.490  33.568
   12    HG2  DPR   2           HG1      DPR   2  45.805  24.797  35.181
   13    HG3  DPR   2           HG2      DPR   2  45.584  23.154  35.850
   14    HD2  DPR   2           HD1      DPR   2  43.653  25.428  35.347
   15    HD3  DPR   2           HD2      DPR   2  43.564  24.127  36.566
   16    H    DVA   3           H        DVA   3  42.771  25.212  32.809
   17    HA   DVA   3           HA       DVA   3  42.978  24.668  29.905
   18    HB   DVA   3           HB       DVA   3  42.501  26.901  29.627
   19   HG11  DVA   3          1HG1      DVA   3  42.465  28.616  31.342
   20   HG12  DVA   3          2HG1      DVA   3  42.196  27.385  32.523
   21   HG13  DVA   3          3HG1      DVA   3  41.052  27.657  31.120
   22   HG21  DVA   3          1HG2      DVA   3  44.631  26.290  31.691
   23   HG22  DVA   3          2HG2      DVA   3  44.694  27.703  30.555
   24   HG23  DVA   3          3HG2      DVA   3  44.898  26.059  30.007
   25    H    CYS   4           H        CYS   4  41.423  24.096  28.682
   26    HA   CYS   4           HA       CYS   4  38.700  24.042  29.668
   27    HB2  CYS   4           HB2      CYS   4  38.917  26.309  28.920
   28    HB3  CYS   4           HB1      CYS   4  39.162  25.849  27.265
   29    H    ILE   5           H        ILE   5  37.440  22.610  28.917
   30    HA   ILE   5           HA       ILE   5  38.614  20.559  27.134
   31    HB   ILE   5           HB       ILE   5  36.064  20.270  28.685
   32   HG12  ILE   5          2HG1      ILE   5  37.765  20.452  30.310
   33   HG13  ILE   5          1HG1      ILE   5  37.250  18.817  30.128
   34   HG21  ILE   5          1HG2      ILE   5  36.468  17.749  28.346
   35   HG22  ILE   5          2HG2      ILE   5  37.805  18.227  27.242
   36   HG23  ILE   5          3HG2      ILE   5  36.098  18.596  26.926
   37   HD11  ILE   5           HD1      ILE   5  39.744  18.921  30.486
   38   HD12  ILE   5           HD2      ILE   5  39.894  19.946  29.019
   39   HD13  ILE   5           HD3      ILE   5  39.326  18.286  28.958
   40    HA   PRO   6           HA       PRO   6  36.289  22.386  24.045
   41    HB2  PRO   6           HB2      PRO   6  36.980  20.051  22.324
   42    HB3  PRO   6           HB1      PRO   6  37.402  21.840  22.062
   43    HG2  PRO   6           HG2      PRO   6  39.290  20.142  22.791
   44    HG3  PRO   6           HG1      PRO   6  39.183  21.795  23.496
   45    HD2  PRO   6           HD2      PRO   6  38.335  19.244  24.826
   46    HD3  PRO   6           HD1      PRO   6  39.312  20.637  25.298
   47    HA   DPR   7           HA       DPR   7  32.910  19.640  22.590
   48    HB2  DPR   7           HB1      DPR   7  30.958  21.659  22.558
   49    HB3  DPR   7           HB2      DPR   7  31.797  21.126  21.096
   50    HG2  DPR   7           HG1      DPR   7  32.397  23.542  22.642
   51    HG3  DPR   7           HG2      DPR   7  32.666  23.271  20.907
   52    HD2  DPR   7           HD1      DPR   7  34.560  23.360  22.785
   53    HD3  DPR   7           HD2      DPR   7  34.887  22.335  21.442
   54    H    GLU   8           H        GLU   8  31.388  18.797  23.885
   55    HA   GLU   8           HA       GLU   8  30.055  20.026  26.087
   56    HB2  GLU   8           HB2      GLU   8  29.075  18.069  24.724
   57    HB3  GLU   8           HB1      GLU   8  30.429  17.111  25.254
   58    HG2  GLU   8           HG2      GLU   8  29.822  17.160  27.506
   59    HG3  GLU   8           HG1      GLU   8  28.713  18.462  27.277
   60    H    DLY   9           H        DLY   9  31.300  20.908  27.718
   61    HA   DLY   9           HA       DLY   9  33.679  19.823  28.401
   62    HB2  DLY   9           HB1      DLY   9  33.210  19.223  30.796
   63    HB3  DLY   9           HB2      DLY   9  32.695  18.122  29.615
   64    HG2  DLY   9           HG1      DLY   9  30.456  18.732  29.681
   65    HG3  DLY   9           HG2      DLY   9  30.780  20.156  30.646
   66    HD2  DLY   9           HD1      DLY   9  31.299  18.997  32.646
   67    HD3  DLY   9           HD2      DLY   9  31.373  17.388  31.991
   68    HE2  DLY   9           HE1      DLY   9  28.874  17.640  31.308
   69    HE3  DLY   9           HE2      DLY   9  29.015  19.195  32.128
   70    HZ1  DLY   9           HZ1      DLY   9  28.152  17.660  33.608
   71    HZ2  DLY   9           HZ2      DLY   9  29.734  17.966  34.078
   72    HZ3  DLY   9           HZ3      DLY   9  29.274  16.533  33.332
   73    H    VAL  10           H        VAL  10  34.649  21.387  29.928
   74    HA   VAL  10           HA       VAL  10  33.359  23.956  30.507
   75    HB   VAL  10           HB       VAL  10  34.020  23.773  32.908
   76   HG11  VAL  10          1HG1      VAL  10  31.716  23.461  32.354
   77   HG12  VAL  10          2HG1      VAL  10  32.003  22.343  33.648
   78   HG13  VAL  10          3HG1      VAL  10  32.048  21.661  32.080
   79   HG21  VAL  10          1HG2      VAL  10  34.548  22.038  34.042
   80   HG22  VAL  10          2HG2      VAL  10  35.666  21.888  32.660
   81   HG23  VAL  10          3HG2      VAL  10  34.313  20.840  32.648
   82    H    CYS  11           H        CYS  11  34.560  25.465  31.174
   83    HA   CYS  11           HA       CYS  11  37.482  25.230  30.815
   84    HB2  CYS  11           HB2      CYS  11  36.057  27.798  30.898
   85    HB3  CYS  11           HB1      CYS  11  37.706  27.444  30.354
   86    H    DGL  12           H        DGU  12  38.912  26.123  32.431
   87    HA   DGL  12           HA       DGU  12  37.641  26.045  35.061
   88    HB2  DGL  12           HB1      DGU  12  39.160  28.521  34.275
   89    HB3  DGL  12           HB2      DGU  12  38.501  28.070  35.870
   90    HG2  DGL  12           HG1      DGU  12  36.277  28.075  34.976
   91    HG3  DGL  12           HG2      DGU  12  36.849  28.726  33.454
  Start of MODEL    4
    1    H1   HIS   1           H1       HIS   1  38.970  24.653  36.279
    2    HA   HIS   1           HA       HIS   1  41.656  25.690  36.484
    3    HB2  HIS   1           HB2      HIS   1  40.518  24.731  38.449
    4    HB3  HIS   1           HB1      HIS   1  40.347  23.127  37.645
    5    HD1  HIS   1           HD1      HIS   1  43.019  21.920  37.313
    6    HD2  HIS   1           HD2      HIS   1  42.502  25.205  39.860
    7    HE1  HIS   1           HE1      HIS   1  45.036  21.982  38.813
    8    HE2  HIS   1           HE2      HIS   1  44.682  24.023  40.429
    9    HA   DPR   2           HA       DPR   2  43.791  22.370  34.561
   10    HB2  DPR   2           HB1      DPR   2  45.685  24.485  33.738
   11    HB3  DPR   2           HB2      DPR   2  46.156  22.990  34.461
   12    HG2  DPR   2           HG1      DPR   2  46.262  25.137  36.029
   13    HG3  DPR   2           HG2      DPR   2  45.485  23.662  36.597
   14    HD2  DPR   2           HD1      DPR   2  44.096  25.987  35.227
   15    HD3  DPR   2           HD2      DPR   2  43.718  25.409  36.787
   16    H    DVA   3           H        DVA   3  42.273  24.666  32.981
   17    HA   DVA   3           HA       DVA   3  43.059  23.765  30.145
   18    HB   DVA   3           HB       DVA   3  43.037  25.788  29.286
   19   HG11  DVA   3          1HG1      DVA   3  42.448  27.938  30.424
   20   HG12  DVA   3          2HG1      DVA   3  41.862  27.057  31.825
   21   HG13  DVA   3          3HG1      DVA   3  41.064  26.851  30.254
   22   HG21  DVA   3          1HG2      DVA   3  45.007  25.365  30.490
   23   HG22  DVA   3          2HG2      DVA   3  44.281  26.126  31.950
   24   HG23  DVA   3          3HG2      DVA   3  44.629  27.053  30.408
   25    H    CYS   4           H        CYS   4  41.418  23.351  28.853
   26    HA   CYS   4           HA       CYS   4  38.680  23.762  29.706
   27    HB2  CYS   4           HB2      CYS   4  39.294  25.940  28.720
   28    HB3  CYS   4           HB1      CYS   4  39.640  25.129  27.195
   29    H    ILE   5           H        ILE   5  37.417  22.313  28.767
   30    HA   ILE   5           HA       ILE   5  38.303  20.263  26.886
   31    HB   ILE   5           HB       ILE   5  35.975  20.281  28.748
   32   HG12  ILE   5          2HG1      ILE   5  37.883  20.444  30.008
   33   HG13  ILE   5          1HG1      ILE   5  37.260  18.830  30.202
   34   HG21  ILE   5          1HG2      ILE   5  37.355  18.265  26.778
   35   HG22  ILE   5          2HG2      ILE   5  35.792  18.933  26.718
   36   HG23  ILE   5          3HG2      ILE   5  36.158  17.742  28.043
   37   HD11  ILE   5           HD1      ILE   5  39.660  18.647  30.026
   38   HD12  ILE   5           HD2      ILE   5  39.641  19.621  28.451
   39   HD13  ILE   5           HD3      ILE   5  38.970  17.969  28.577
   40    HA   PRO   6           HA       PRO   6  35.737  22.934  24.344
   41    HB2  PRO   6           HB2      PRO   6  35.997  21.626  21.959
   42    HB3  PRO   6           HB1      PRO   6  37.233  22.708  22.553
   43    HG2  PRO   6           HG2      PRO   6  37.022  19.694  22.761
   44    HG3  PRO   6           HG1      PRO   6  38.562  20.608  22.434
   45    HD2  PRO   6           HD2      PRO   6  38.030  19.797  24.924
   46    HD3  PRO   6           HD1      PRO   6  38.827  21.384  24.562
   47    HA   DPR   7           HA       DPR   7  32.428  20.422  22.475
   48    HB2  DPR   7           HB1      DPR   7  30.428  22.288  22.519
   49    HB3  DPR   7           HB2      DPR   7  31.531  21.913  21.165
   50    HG2  DPR   7           HG1      DPR   7  31.768  24.048  23.342
   51    HG3  DPR   7           HG2      DPR   7  32.043  24.334  21.623
   52    HD2  DPR   7           HD1      DPR   7  34.046  23.960  23.408
   53    HD3  DPR   7           HD2      DPR   7  34.054  23.112  21.765
   54    H    GLU   8           H        GLU   8  32.305  18.972  23.920
   55    HA   GLU   8           HA       GLU   8  30.279  19.140  26.011
   56    HB2  GLU   8           HB2      GLU   8  30.181  17.396  24.219
   57    HB3  GLU   8           HB1      GLU   8  31.690  16.826  24.889
   58    HG2  GLU   8           HG2      GLU   8  30.740  16.475  27.112
   59    HG3  GLU   8           HG1      GLU   8  29.133  16.886  26.413
   60    H    DLY   9           H        DLY   9  31.460  20.451  27.251
   61    HA   DLY   9           HA       DLY   9  33.818  19.529  28.738
   62    HB2  DLY   9           HB1      DLY   9  32.551  19.729  30.817
   63    HB3  DLY   9           HB2      DLY   9  32.324  18.186  29.916
   64    HG2  DLY   9           HG1      DLY   9  30.169  18.754  29.162
   65    HG3  DLY   9           HG2      DLY   9  30.277  20.373  29.993
   66    HD2  DLY   9           HD1      DLY   9  30.503  19.292  32.168
   67    HD3  DLY   9           HD2      DLY   9  30.351  17.688  31.381
   68    HE2  DLY   9           HE1      DLY   9  28.128  18.412  30.589
   69    HE3  DLY   9           HE2      DLY   9  28.187  19.889  31.494
   70    HZ1  DLY   9           HZ1      DLY   9  28.314  17.274  32.689
   71    HZ2  DLY   9           HZ2      DLY   9  27.036  18.163  32.657
   72    HZ3  DLY   9           HZ3      DLY   9  28.279  18.721  33.565
   73    H    VAL  10           H        VAL  10  34.463  21.193  30.288
   74    HA   VAL  10           HA       VAL  10  33.421  23.917  29.699
   75    HB   VAL  10           HB       VAL  10  33.353  24.343  32.100
   76   HG11  VAL  10          1HG1      VAL  10  31.398  23.274  32.796
   77   HG12  VAL  10          2HG1      VAL  10  31.616  21.866  31.778
   78   HG13  VAL  10          3HG1      VAL  10  31.184  23.476  31.070
   79   HG21  VAL  10          1HG2      VAL  10  33.926  21.398  32.450
   80   HG22  VAL  10          2HG2      VAL  10  33.584  22.620  33.779
   81   HG23  VAL  10          3HG2      VAL  10  35.000  22.768  32.973
   82    H    CYS  11           H        CYS  11  34.698  25.727  30.324
   83    HA   CYS  11           HA       CYS  11  37.624  25.234  30.499
   84    HB2  CYS  11           HB2      CYS  11  36.120  27.801  30.313
   85    HB3  CYS  11           HB1      CYS  11  37.868  27.462  30.307
   86    H    DGL  12           H        DGU  12  38.810  25.591  32.343
   87    HA   DGL  12           HA       DGU  12  37.556  25.484  34.842
   88    HB2  DGL  12           HB1      DGU  12  38.034  27.697  35.738
   89    HB3  DGL  12           HB2      DGU  12  36.748  27.542  34.594
   90    HG2  DGL  12           HG1      DGU  12  38.598  28.376  32.801
   91    HG3  DGL  12           HG2      DGU  12  39.437  28.897  34.297
  Start of MODEL    5
    1    H1   HIS   1           H1       HIS   1  39.087  25.346  35.594
    2    HA   HIS   1           HA       HIS   1  41.762  26.660  36.179
    3    HB2  HIS   1           HB2      HIS   1  40.320  24.708  37.925
    4    HB3  HIS   1           HB1      HIS   1  41.857  25.545  38.223
    5    HD1  HIS   1           HD1      HIS   1  41.920  27.954  38.916
    6    HD2  HIS   1           HD2      HIS   1  38.184  26.193  38.192
    7    HE1  HIS   1           HE1      HIS   1  40.164  29.521  40.074
    8    HE2  HIS   1           HE2      HIS   1  37.852  28.469  39.505
    9    HA   DPR   2           HA       DPR   2  43.612  22.529  35.113
   10    HB2  DPR   2           HB1      DPR   2  45.811  23.427  34.058
   11    HB3  DPR   2           HB2      DPR   2  45.487  23.781  35.800
   12    HG2  DPR   2           HG1      DPR   2  45.044  25.735  33.471
   13    HG3  DPR   2           HG2      DPR   2  45.962  25.975  34.990
   14    HD2  DPR   2           HD1      DPR   2  43.293  26.657  34.795
   15    HD3  DPR   2           HD2      DPR   2  43.835  26.025  36.266
   16    H    DVA   3           H        DVA   3  42.228  24.601  33.105
   17    HA   DVA   3           HA       DVA   3  42.778  23.036  30.606
   18    HB   DVA   3           HB       DVA   3  42.611  25.253  29.347
   19   HG11  DVA   3          1HG1      DVA   3  43.038  27.307  30.437
   20   HG12  DVA   3          2HG1      DVA   3  42.907  26.616  32.068
   21   HG13  DVA   3          3HG1      DVA   3  41.481  26.654  30.986
   22   HG21  DVA   3          1HG2      DVA   3  44.828  24.094  29.712
   23   HG22  DVA   3          2HG2      DVA   3  44.988  24.853  31.266
   24   HG23  DVA   3          3HG2      DVA   3  44.911  25.831  29.818
   25    H    CYS   4           H        CYS   4  41.399  22.968  28.864
   26    HA   CYS   4           HA       CYS   4  38.555  23.417  29.438
   27    HB2  CYS   4           HB2      CYS   4  39.511  25.583  28.611
   28    HB3  CYS   4           HB1      CYS   4  39.747  24.751  27.066
   29    H    ILE   5           H        ILE   5  37.108  22.280  28.241
   30    HA   ILE   5           HA       ILE   5  38.106  20.234  26.264
   31    HB   ILE   5           HB       ILE   5  35.708  20.232  27.991
   32   HG12  ILE   5          2HG1      ILE   5  37.437  19.894  29.596
   33   HG13  ILE   5          1HG1      ILE   5  36.710  18.404  29.135
   34   HG21  ILE   5          1HG2      ILE   5  37.068  18.207  26.078
   35   HG22  ILE   5          2HG2      ILE   5  35.418  19.025  25.967
   36   HG23  ILE   5          3HG2      ILE   5  35.705  17.905  27.220
   37   HD11  ILE   5           HD1      ILE   5  39.307  19.218  28.013
   38   HD12  ILE   5           HD2      ILE   5  38.468  17.701  27.767
   39   HD13  ILE   5           HD3      ILE   5  39.096  17.995  29.391
   40    HA   PRO   6           HA       PRO   6  35.348  23.330  24.059
   41    HB2  PRO   6           HB2      PRO   6  36.543  22.102  21.661
   42    HB3  PRO   6           HB1      PRO   6  36.140  23.758  21.991
   43    HG2  PRO   6           HG2      PRO   6  38.618  22.791  22.182
   44    HG3  PRO   6           HG1      PRO   6  38.125  23.968  23.499
   45    HD2  PRO   6           HD2      PRO   6  38.184  20.949  23.475
   46    HD3  PRO   6           HD1      PRO   6  38.940  22.083  24.681
   47    HA   DPR   7           HA       DPR   7  32.909  20.020  22.046
   48    HB2  DPR   7           HB1      DPR   7  30.822  21.492  20.921
   49    HB3  DPR   7           HB2      DPR   7  32.487  21.344  20.137
   50    HG2  DPR   7           HG1      DPR   7  31.387  23.449  22.053
   51    HG3  DPR   7           HG2      DPR   7  32.033  23.738  20.387
   52    HD2  DPR   7           HD1      DPR   7  33.422  23.887  22.785
   53    HD3  DPR   7           HD2      DPR   7  34.283  23.406  21.312
   54    H    GLU   8           H        GLU   8  32.734  19.666  24.369
   55    HA   GLU   8           HA       GLU   8  30.774  21.153  25.922
   56    HB2  GLU   8           HB2      GLU   8  29.192  19.455  26.350
   57    HB3  GLU   8           HB1      GLU   8  29.196  19.735  24.735
   58    HG2  GLU   8           HG2      GLU   8  30.810  17.551  24.616
   59    HG3  GLU   8           HG1      GLU   8  30.328  17.268  26.209
   60    H    DLY   9           H        DLY   9  31.297  20.972  27.961
   61    HA   DLY   9           HA       DLY   9  33.320  19.038  28.791
   62    HB2  DLY   9           HB1      DLY   9  32.038  18.512  30.726
   63    HB3  DLY   9           HB2      DLY   9  30.867  18.534  29.392
   64    HG2  DLY   9           HG1      DLY   9  30.132  20.767  30.591
   65    HG3  DLY   9           HG2      DLY   9  31.348  20.433  31.770
   66    HD2  DLY   9           HD1      DLY   9  29.504  19.566  32.756
   67    HD3  DLY   9           HD2      DLY   9  30.353  18.130  32.122
   68    HE2  DLY   9           HE1      DLY   9  28.751  18.110  30.217
   69    HE3  DLY   9           HE2      DLY   9  27.958  19.502  30.925
   70    HZ1  DLY   9           HZ1      DLY   9  26.758  17.572  31.670
   71    HZ2  DLY   9           HZ2      DLY   9  27.676  18.023  32.956
   72    HZ3  DLY   9           HZ3      DLY   9  28.211  16.823  31.947
   73    H    VAL  10           H        VAL  10  34.024  19.574  31.117
   74    HA   VAL  10           HA       VAL  10  33.666  22.042  32.201
   75    HB   VAL  10           HB       VAL  10  35.544  21.469  33.811
   76   HG11  VAL  10          1HG1      VAL  10  33.149  20.910  34.151
   77   HG12  VAL  10          2HG1      VAL  10  34.172  19.465  34.591
   78   HG13  VAL  10          3HG1      VAL  10  33.343  19.495  33.098
   79   HG21  VAL  10          1HG2      VAL  10  36.484  19.221  33.790
   80   HG22  VAL  10          2HG2      VAL  10  37.124  20.242  32.541
   81   HG23  VAL  10          3HG2      VAL  10  35.947  19.058  32.143
   82    H    CYS  11           H        CYS  11  35.069  23.816  32.553
   83    HA   CYS  11           HA       CYS  11  37.535  24.199  31.183
   84    HB2  CYS  11           HB2      CYS  11  35.431  24.706  29.513
   85    HB3  CYS  11           HB1      CYS  11  35.056  25.942  30.498
   86    H    DGL  12           H        DGU  12  38.772  25.748  32.037
   87    HA   DGL  12           HA       DGU  12  37.712  26.994  34.487
   88    HB2  DGL  12           HB1      DGU  12  39.214  28.413  32.287
   89    HB3  DGL  12           HB2      DGU  12  39.202  29.071  33.857
   90    HG2  DGL  12           HG1      DGU  12  36.567  28.500  33.705
   91    HG3  DGL  12           HG2      DGU  12  36.869  28.639  31.952
  Start of MODEL    6
    1    H1   HIS   1           H1       HIS   1  39.126  24.627  35.928
    2    HA   HIS   1           HA       HIS   1  41.698  26.140  36.256
    3    HB2  HIS   1           HB2      HIS   1  40.511  24.100  38.171
    4    HB3  HIS   1           HB1      HIS   1  42.016  25.057  38.365
    5    HD1  HIS   1           HD1      HIS   1  41.462  27.800  38.454
    6    HD2  HIS   1           HD2      HIS   1  38.309  25.082  39.162
    7    HE1  HIS   1           HE1      HIS   1  39.713  29.086  39.790
    8    HE2  HIS   1           HE2      HIS   1  37.710  27.565  40.014
    9    HA   DPR   2           HA       DPR   2  43.628  22.348  35.210
   10    HB2  DPR   2           HB1      DPR   2  45.620  24.040  33.544
   11    HB3  DPR   2           HB2      DPR   2  45.881  22.872  34.873
   12    HG2  DPR   2           HG1      DPR   2  45.941  25.634  35.064
   13    HG3  DPR   2           HG2      DPR   2  45.779  24.469  36.390
   14    HD2  DPR   2           HD1      DPR   2  43.697  26.275  35.018
   15    HD3  DPR   2           HD2      DPR   2  43.836  25.718  36.652
   16    H    DVA   3           H        DVA   3  42.318  24.634  32.870
   17    HA   DVA   3           HA       DVA   3  42.807  22.763  30.707
   18    HB   DVA   3           HB       DVA   3  43.173  24.587  29.335
   19   HG11  DVA   3          1HG1      DVA   3  42.903  26.962  30.084
   20   HG12  DVA   3          2HG1      DVA   3  42.472  26.352  31.673
   21   HG13  DVA   3          3HG1      DVA   3  41.295  26.205  30.511
   22   HG21  DVA   3          1HG2      DVA   3  45.127  24.135  30.675
   23   HG22  DVA   3          2HG2      DVA   3  44.546  25.151  31.964
   24   HG23  DVA   3          3HG2      DVA   3  44.936  25.916  30.487
   25    H    CYS   4           H        CYS   4  41.295  22.999  28.876
   26    HA   CYS   4           HA       CYS   4  38.460  23.295  29.563
   27    HB2  CYS   4           HB2      CYS   4  39.448  25.621  29.011
   28    HB3  CYS   4           HB1      CYS   4  39.495  25.010  27.378
   29    H    ILE   5           H        ILE   5  37.309  21.896  28.515
   30    HA   ILE   5           HA       ILE   5  38.350  20.757  25.932
   31    HB   ILE   5           HB       ILE   5  36.105  19.728  27.632
   32   HG12  ILE   5          2HG1      ILE   5  38.118  19.448  29.013
   33   HG13  ILE   5          1HG1      ILE   5  37.750  17.905  28.258
   34   HG21  ILE   5          1HG2      ILE   5  37.699  18.196  25.485
   35   HG22  ILE   5          2HG2      ILE   5  36.180  19.037  25.245
   36   HG23  ILE   5          3HG2      ILE   5  36.245  17.673  26.349
   37   HD11  ILE   5           HD1      ILE   5  39.886  19.805  27.486
   38   HD12  ILE   5           HD2      ILE   5  39.520  18.384  26.577
   39   HD13  ILE   5           HD3      ILE   5  40.044  18.117  28.213
   40    HA   PRO   6           HA       PRO   6  34.919  23.394  24.228
   41    HB2  PRO   6           HB2      PRO   6  35.966  22.214  21.657
   42    HB3  PRO   6           HB1      PRO   6  35.526  23.897  21.964
   43    HG2  PRO   6           HG2      PRO   6  38.075  23.164  21.852
   44    HG3  PRO   6           HG1      PRO   6  37.576  24.326  23.066
   45    HD2  PRO   6           HD2      PRO   6  38.255  21.395  23.495
   46    HD3  PRO   6           HD1      PRO   6  38.470  22.690  24.607
   47    HA   DPR   7           HA       DPR   7  32.545  20.206  22.134
   48    HB2  DPR   7           HB1      DPR   7  30.304  21.465  21.479
   49    HB3  DPR   7           HB2      DPR   7  31.946  21.940  20.725
   50    HG2  DPR   7           HG1      DPR   7  30.541  23.212  23.215
   51    HG3  DPR   7           HG2      DPR   7  31.224  24.057  21.763
   52    HD2  DPR   7           HD1      DPR   7  32.571  23.710  23.984
   53    HD3  DPR   7           HD2      DPR   7  33.344  23.793  22.359
   54    H    GLU   8           H        GLU   8  33.059  19.646  24.467
   55    HA   GLU   8           HA       GLU   8  31.154  20.384  26.386
   56    HB2  GLU   8           HB2      GLU   8  30.427  18.024  27.047
   57    HB3  GLU   8           HB1      GLU   8  29.655  18.887  25.713
   58    HG2  GLU   8           HG2      GLU   8  30.745  17.599  23.988
   59    HG3  GLU   8           HG1      GLU   8  31.615  16.801  25.252
   60    H    DLY   9           H        DLY   9  32.021  20.302  28.481
   61    HA   DLY   9           HA       DLY   9  34.225  18.525  29.083
   62    HB2  DLY   9           HB1      DLY   9  33.146  17.263  30.686
   63    HB3  DLY   9           HB2      DLY   9  32.198  17.109  29.158
   64    HG2  DLY   9           HG1      DLY   9  30.600  18.882  30.251
   65    HG3  DLY   9           HG2      DLY   9  31.476  18.521  31.710
   66    HD2  DLY   9           HD1      DLY   9  29.649  17.025  31.735
   67    HD3  DLY   9           HD2      DLY   9  30.896  15.994  31.060
   68    HE2  DLY   9           HE1      DLY   9  29.966  16.515  28.647
   69    HE3  DLY   9           HE2      DLY   9  29.011  17.756  29.498
   70    HZ1  DLY   9           HZ1      DLY   9  27.745  15.971  28.960
   71    HZ2  DLY   9           HZ2      DLY   9  27.685  16.416  30.515
   72    HZ3  DLY   9           HZ3      DLY   9  28.441  15.034  30.079
   73    H    VAL  10           H        VAL  10  35.237  18.724  30.847
   74    HA   VAL  10           HA       VAL  10  34.779  20.780  32.838
   75    HB   VAL  10           HB       VAL  10  37.091  20.304  33.622
   76   HG11  VAL  10          1HG1      VAL  10  35.022  18.843  33.993
   77   HG12  VAL  10          2HG1      VAL  10  36.614  18.233  34.411
   78   HG13  VAL  10          3HG1      VAL  10  35.839  17.690  32.889
   79   HG21  VAL  10          1HG2      VAL  10  38.622  18.820  32.507
   80   HG22  VAL  10          2HG2      VAL  10  38.224  20.010  31.328
   81   HG23  VAL  10          3HG2      VAL  10  37.343  18.534  31.246
   82    H    CYS  11           H        CYS  11  35.294  22.863  32.806
   83    HA   CYS  11           HA       CYS  11  37.475  23.873  31.172
   84    HB2  CYS  11           HB2      CYS  11  35.389  24.036  29.844
   85    HB3  CYS  11           HB1      CYS  11  34.761  25.121  31.048
   86    H    DGL  12           H        DGU  12  38.551  25.414  32.185
   87    HA   DGL  12           HA       DGU  12  37.555  26.061  34.863
   88    HB2  DGL  12           HB1      DGU  12  38.937  27.930  32.921
   89    HB3  DGL  12           HB2      DGU  12  38.617  28.354  34.609
   90    HG2  DGL  12           HG1      DGU  12  36.317  28.253  34.095
   91    HG3  DGL  12           HG2      DGU  12  36.529  27.930  32.345
  Start of MODEL    7
    1    H1   HIS   1           H1       HIS   1  38.584  26.359  35.813
    2    HA   HIS   1           HA       HIS   1  41.380  26.810  36.153
    3    HB2  HIS   1           HB2      HIS   1  39.299  25.189  37.619
    4    HB3  HIS   1           HB1      HIS   1  41.022  25.167  38.085
    5    HD1  HIS   1           HD1      HIS   1  41.041  28.515  37.254
    6    HD2  HIS   1           HD2      HIS   1  38.918  26.262  40.174
    7    HE1  HIS   1           HE1      HIS   1  40.536  30.128  39.053
    8    HE2  HIS   1           HE2      HIS   1  39.304  28.779  40.924
    9    HA   DPR   2           HA       DPR   2  42.561  22.456  35.582
   10    HB2  DPR   2           HB1      DPR   2  45.255  22.891  35.057
   11    HB3  DPR   2           HB2      DPR   2  44.552  23.092  36.680
   12    HG2  DPR   2           HG1      DPR   2  45.238  25.201  34.500
   13    HG3  DPR   2           HG2      DPR   2  45.465  25.131  36.320
   14    HD2  DPR   2           HD1      DPR   2  43.445  26.341  34.696
   15    HD3  DPR   2           HD2      DPR   2  43.280  26.051  36.459
   16    H    DVA   3           H        DVA   3  42.013  24.530  32.970
   17    HA   DVA   3           HA       DVA   3  43.086  22.531  30.973
   18    HB   DVA   3           HB       DVA   3  43.551  24.611  29.632
   19   HG11  DVA   3          1HG1      DVA   3  43.806  26.028  32.229
   20   HG12  DVA   3          2HG1      DVA   3  42.331  26.116  31.503
   21   HG13  DVA   3          3HG1      DVA   3  43.808  26.692  30.571
   22   HG21  DVA   3          1HG2      DVA   3  45.778  25.210  30.578
   23   HG22  DVA   3          2HG2      DVA   3  45.453  23.538  30.380
   24   HG23  DVA   3          3HG2      DVA   3  45.245  24.303  32.055
   25    H    CYS   4           H        CYS   4  41.908  22.679  28.968
   26    HA   CYS   4           HA       CYS   4  39.202  23.534  29.238
   27    HB2  CYS   4           HB2      CYS   4  40.865  25.356  28.364
   28    HB3  CYS   4           HB1      CYS   4  40.898  24.517  26.978
   29    H    ILE   5           H        ILE   5  37.738  22.350  28.220
   30    HA   ILE   5           HA       ILE   5  38.368  20.975  25.695
   31    HB   ILE   5           HB       ILE   5  36.724  19.990  28.020
   32   HG12  ILE   5          2HG1      ILE   5  39.036  19.665  28.430
   33   HG13  ILE   5          1HG1      ILE   5  38.343  18.053  28.220
   34   HG21  ILE   5          1HG2      ILE   5  37.145  19.043  25.125
   35   HG22  ILE   5          2HG2      ILE   5  35.636  19.279  25.963
   36   HG23  ILE   5          3HG2      ILE   5  36.671  17.916  26.413
   37   HD11  ILE   5           HD1      ILE   5  40.551  18.118  27.259
   38   HD12  ILE   5           HD2      ILE   5  40.049  19.517  26.272
   39   HD13  ILE   5           HD3      ILE   5  39.360  17.913  25.979
   40    HA   PRO   6           HA       PRO   6  34.867  23.736  25.401
   41    HB2  PRO   6           HB2      PRO   6  35.225  24.259  22.578
   42    HB3  PRO   6           HB1      PRO   6  35.667  25.311  23.933
   43    HG2  PRO   6           HG2      PRO   6  37.477  23.731  22.223
   44    HG3  PRO   6           HG1      PRO   6  37.883  24.827  23.433
   45    HD2  PRO   6           HD2      PRO   6  37.895  21.880  23.597
   46    HD3  PRO   6           HD1      PRO   6  38.441  23.227  24.723
   47    HA   DPR   7           HA       DPR   7  31.835  21.380  22.676
   48    HB2  DPR   7           HB1      DPR   7  29.732  22.335  23.936
   49    HB3  DPR   7           HB2      DPR   7  30.393  23.162  22.482
   50    HG2  DPR   7           HG1      DPR   7  30.652  24.142  25.269
   51    HG3  DPR   7           HG2      DPR   7  30.609  25.048  23.850
   52    HD2  DPR   7           HD1      DPR   7  32.864  24.326  25.133
   53    HD3  DPR   7           HD2      DPR   7  32.870  24.773  23.348
   54    H    GLU   8           H        GLU   8  31.295  19.321  23.516
   55    HA   GLU   8           HA       GLU   8  30.282  19.228  26.145
   56    HB2  GLU   8           HB2      GLU   8  31.163  16.952  24.211
   57    HB3  GLU   8           HB1      GLU   8  30.391  16.692  25.714
   58    HG2  GLU   8           HG2      GLU   8  28.465  18.260  24.786
   59    HG3  GLU   8           HG1      GLU   8  29.101  17.890  23.242
   60    H    DLY   9           H        DLY   9  31.315  19.555  27.796
   61    HA   DLY   9           HA       DLY   9  34.286  19.020  28.319
   62    HB2  DLY   9           HB1      DLY   9  33.958  18.078  30.293
   63    HB3  DLY   9           HB2      DLY   9  33.376  16.974  29.080
   64    HG2  DLY   9           HG1      DLY   9  31.091  17.636  29.736
   65    HG3  DLY   9           HG2      DLY   9  31.553  18.793  30.836
   66    HD2  DLY   9           HD1      DLY   9  30.811  16.645  31.869
   67    HD3  DLY   9           HD2      DLY   9  32.432  17.121  32.390
   68    HE2  DLY   9           HE1      DLY   9  32.043  14.660  31.949
   69    HE3  DLY   9           HE2      DLY   9  33.377  15.276  31.035
   70    HZ1  DLY   9           HZ1      DLY   9  32.017  15.233  29.075
   71    HZ2  DLY   9           HZ2      DLY   9  30.640  15.281  29.899
   72    HZ3  DLY   9           HZ3      DLY   9  31.622  13.930  29.873
   73    H    VAL  10           H        VAL  10  35.091  20.106  29.964
   74    HA   VAL  10           HA       VAL  10  33.695  22.477  30.637
   75    HB   VAL  10           HB       VAL  10  34.713  22.333  33.070
   76   HG11  VAL  10          1HG1      VAL  10  32.391  22.240  32.787
   77   HG12  VAL  10          2HG1      VAL  10  33.024  21.287  34.108
   78   HG13  VAL  10          3HG1      VAL  10  32.472  20.435  32.636
   79   HG21  VAL  10          1HG2      VAL  10  35.502  20.320  33.860
   80   HG22  VAL  10          2HG2      VAL  10  36.209  20.377  32.396
   81   HG23  VAL  10          3HG2      VAL  10  34.656  19.375  32.525
   82    H    CYS  11           H        CYS  11  34.978  24.190  31.200
   83    HA   CYS  11           HA       CYS  11  37.897  24.114  30.752
   84    HB2  CYS  11           HB2      CYS  11  36.602  24.847  28.629
   85    HB3  CYS  11           HB1      CYS  11  35.751  26.006  29.595
   86    H    DGL  12           H        DGU  12  39.140  25.771  31.747
   87    HA   DGL  12           HA       DGU  12  37.715  27.384  33.847
   88    HB2  DGL  12           HB1      DGU  12  39.591  28.394  31.734
   89    HB3  DGL  12           HB2      DGU  12  39.062  29.295  33.129
   90    HG2  DGL  12           HG1      DGU  12  36.731  28.947  32.357
   91    HG3  DGL  12           HG2      DGU  12  37.409  28.283  30.793
  Start of MODEL    8
    1    H1   HIS   1           H1       HIS   1  39.507  25.272  35.355
    2    HA   HIS   1           HA       HIS   1  42.010  26.926  35.292
    3    HB2  HIS   1           HB2      HIS   1  40.688  25.954  37.792
    4    HB3  HIS   1           HB1      HIS   1  42.378  26.382  37.649
    5    HD1  HIS   1           HD1      HIS   1  42.806  29.168  37.258
    6    HD2  HIS   1           HD2      HIS   1  38.944  27.788  38.412
    7    HE1  HIS   1           HE1      HIS   1  41.451  31.143  37.928
    8    HE2  HIS   1           HE2      HIS   1  39.155  30.312  38.711
    9    HA   DPR   2           HA       DPR   2  43.600  22.663  35.389
   10    HB2  DPR   2           HB1      DPR   2  46.145  23.319  34.226
   11    HB3  DPR   2           HB2      DPR   2  45.696  23.363  35.984
   12    HG2  DPR   2           HG1      DPR   2  45.648  25.495  33.791
   13    HG3  DPR   2           HG2      DPR   2  46.446  25.721  35.371
   14    HD2  DPR   2           HD1      DPR   2  43.978  26.724  34.907
   15    HD3  DPR   2           HD2      DPR   2  44.318  26.038  36.448
   16    H    DVA   3           H        DVA   3  42.248  24.633  32.989
   17    HA   DVA   3           HA       DVA   3  42.944  22.708  31.018
   18    HB   DVA   3           HB       DVA   3  43.111  24.623  29.260
   19   HG11  DVA   3          1HG1      DVA   3  43.600  26.314  31.745
   20   HG12  DVA   3          2HG1      DVA   3  42.208  26.382  30.695
   21   HG13  DVA   3          3HG1      DVA   3  43.777  26.827  29.985
   22   HG21  DVA   3          1HG2      DVA   3  45.283  24.429  31.356
   23   HG22  DVA   3          2HG2      DVA   3  45.513  25.010  29.802
   24   HG23  DVA   3          3HG2      DVA   3  44.833  23.339  29.949
   25    H    CYS   4           H        CYS   4  41.311  22.728  29.023
   26    HA   CYS   4           HA       CYS   4  38.710  23.404  29.819
   27    HB2  CYS   4           HB2      CYS   4  39.742  25.472  29.036
   28    HB3  CYS   4           HB1      CYS   4  40.144  24.900  27.435
   29    H    ILE   5           H        ILE   5  37.194  22.496  28.487
   30    HA   ILE   5           HA       ILE   5  38.128  20.414  26.634
   31    HB   ILE   5           HB       ILE   5  35.781  19.820  28.418
   32   HG12  ILE   5          2HG1      ILE   5  38.648  19.151  28.901
   33   HG13  ILE   5          1HG1      ILE   5  37.608  20.040  29.898
   34   HG21  ILE   5          1HG2      ILE   5  36.030  17.588  27.355
   35   HG22  ILE   5          2HG2      ILE   5  37.506  18.224  26.576
   36   HG23  ILE   5          3HG2      ILE   5  35.847  18.822  26.177
   37   HD11  ILE   5           HD1      ILE   5  37.583  17.856  30.793
   38   HD12  ILE   5           HD2      ILE   5  37.298  17.071  29.213
   39   HD13  ILE   5           HD3      ILE   5  36.002  17.928  29.920
   40    HA   PRO   6           HA       PRO   6  35.671  23.379  24.496
   41    HB2  PRO   6           HB2      PRO   6  36.193  22.540  21.881
   42    HB3  PRO   6           HB1      PRO   6  37.276  23.561  22.940
   43    HG2  PRO   6           HG2      PRO   6  37.634  20.672  22.386
   44    HG3  PRO   6           HG1      PRO   6  38.816  22.003  22.507
   45    HD2  PRO   6           HD2      PRO   6  38.521  20.526  24.768
   46    HD3  PRO   6           HD1      PRO   6  38.594  22.233  24.784
   47    HA   DPR   7           HA       DPR   7  32.720  21.014  21.749
   48    HB2  DPR   7           HB1      DPR   7  30.755  22.797  21.384
   49    HB3  DPR   7           HB2      DPR   7  32.316  22.938  20.640
   50    HG2  DPR   7           HG1      DPR   7  31.391  24.540  23.170
   51    HG3  DPR   7           HG2      DPR   7  32.237  24.965  21.621
   52    HD2  DPR   7           HD1      DPR   7  33.260  24.090  24.197
   53    HD3  DPR   7           HD2      DPR   7  34.187  24.359  22.648
   54    H    GLU   8           H        GLU   8  32.898  20.003  24.046
   55    HA   GLU   8           HA       GLU   8  30.522  20.430  25.744
   56    HB2  GLU   8           HB2      GLU   8  30.377  18.370  23.932
   57    HB3  GLU   8           HB1      GLU   8  31.174  17.529  25.216
   58    HG2  GLU   8           HG2      GLU   8  29.519  18.358  26.904
   59    HG3  GLU   8           HG1      GLU   8  28.618  19.143  25.552
   60    H    DLY   9           H        DLY   9  30.845  20.041  27.870
   61    HA   DLY   9           HA       DLY   9  33.477  18.949  28.696
   62    HB2  DLY   9           HB1      DLY   9  30.692  18.437  29.698
   63    HB3  DLY   9           HB2      DLY   9  32.174  18.162  30.725
   64    HG2  DLY   9           HG1      DLY   9  33.010  16.511  29.380
   65    HG3  DLY   9           HG2      DLY   9  32.054  16.896  27.990
   66    HD2  DLY   9           HD1      DLY   9  31.355  15.231  30.255
   67    HD3  DLY   9           HD2      DLY   9  31.062  15.019  28.526
   68    HE2  DLY   9           HE1      DLY   9  29.343  17.029  28.761
   69    HE3  DLY   9           HE2      DLY   9  29.394  16.532  30.502
   70    HZ1  DLY   9           HZ1      DLY   9  28.834  14.239  29.185
   71    HZ2  DLY   9           HZ2      DLY   9  28.080  15.350  28.245
   72    HZ3  DLY   9           HZ3      DLY   9  27.717  15.253  29.700
   73    H    VAL  10           H        VAL  10  34.424  19.853  30.595
   74    HA   VAL  10           HA       VAL  10  33.244  22.311  31.630
   75    HB   VAL  10           HB       VAL  10  35.016  21.983  33.332
   76   HG11  VAL  10          1HG1      VAL  10  32.535  21.258  33.628
   77   HG12  VAL  10          2HG1      VAL  10  33.780  20.667  34.792
   78   HG13  VAL  10          3HG1      VAL  10  33.185  19.610  33.469
   79   HG21  VAL  10          1HG2      VAL  10  35.934  19.782  33.776
   80   HG22  VAL  10          2HG2      VAL  10  36.467  20.433  32.312
   81   HG23  VAL  10          3HG2      VAL  10  35.192  19.095  32.274
   82    H    CYS  11           H        CYS  11  34.725  24.128  32.332
   83    HA   CYS  11           HA       CYS  11  37.178  24.282  30.813
   84    HB2  CYS  11           HB2      CYS  11  35.240  24.851  29.235
   85    HB3  CYS  11           HB1      CYS  11  35.024  26.278  30.348
   86    H    DGL  12           H        DGU  12  38.588  25.322  32.072
   87    HA   DGL  12           HA       DGU  12  37.759  26.681  34.439
   88    HB2  DGL  12           HB1      DGU  12  37.302  28.417  32.691
   89    HB3  DGL  12           HB2      DGU  12  38.933  28.191  32.274
   90    HG2  DGL  12           HG1      DGU  12  39.838  29.371  34.194
   91    HG3  DGL  12           HG2      DGU  12  38.337  28.982  35.099
  Start of MODEL    9
    1    H1   HIS   1           H1       HIS   1  38.831  26.363  35.511
    2    HA   HIS   1           HA       HIS   1  41.723  26.811  35.991
    3    HB2  HIS   1           HB2      HIS   1  39.579  25.369  37.429
    4    HB3  HIS   1           HB1      HIS   1  41.271  25.393  38.054
    5    HD1  HIS   1           HD1      HIS   1  39.580  28.655  36.868
    6    HD2  HIS   1           HD2      HIS   1  40.813  26.484  40.190
    7    HE1  HIS   1           HE1      HIS   1  39.063  30.169  38.883
    8    HE2  HIS   1           HE2      HIS   1  40.059  28.989  40.879
    9    HA   DPR   2           HA       DPR   2  42.348  22.557  35.468
   10    HB2  DPR   2           HB1      DPR   2  45.156  23.180  34.572
   11    HB3  DPR   2           HB2      DPR   2  44.542  22.086  35.820
   12    HG2  DPR   2           HG1      DPR   2  45.681  24.436  36.142
   13    HG3  DPR   2           HG2      DPR   2  44.354  23.913  37.275
   14    HD2  DPR   2           HD1      DPR   2  44.271  25.889  35.038
   15    HD3  DPR   2           HD2      DPR   2  43.393  25.878  36.624
   16    H    DVA   3           H        DVA   3  41.852  24.455  32.904
   17    HA   DVA   3           HA       DVA   3  42.560  22.547  30.786
   18    HB   DVA   3           HB       DVA   3  43.514  24.210  29.482
   19   HG11  DVA   3          1HG1      DVA   3  44.287  26.413  30.355
   20   HG12  DVA   3          2HG1      DVA   3  43.430  25.937  31.977
   21   HG13  DVA   3          3HG1      DVA   3  42.558  26.306  30.527
   22   HG21  DVA   3          1HG2      DVA   3  45.108  24.018  32.067
   23   HG22  DVA   3          2HG2      DVA   3  45.638  24.334  30.405
   24   HG23  DVA   3          3HG2      DVA   3  44.846  22.791  30.759
   25    H    CYS   4           H        CYS   4  41.633  22.970  28.627
   26    HA   CYS   4           HA       CYS   4  38.774  23.640  29.023
   27    HB2  CYS   4           HB2      CYS   4  40.441  25.384  27.614
   28    HB3  CYS   4           HB1      CYS   4  39.961  24.285  26.388
   29    H    ILE   5           H        ILE   5  37.555  22.263  28.311
   30    HA   ILE   5           HA       ILE   5  38.453  20.656  25.970
   31    HB   ILE   5           HB       ILE   5  36.662  19.720  28.125
   32   HG12  ILE   5          2HG1      ILE   5  39.327  18.687  27.212
   33   HG13  ILE   5          1HG1      ILE   5  39.083  19.699  28.556
   34   HG21  ILE   5          1HG2      ILE   5  36.519  17.513  26.581
   35   HG22  ILE   5          2HG2      ILE   5  37.296  18.510  25.416
   36   HG23  ILE   5          3HG2      ILE   5  35.773  19.065  25.980
   37   HD11  ILE   5           HD1      ILE   5  39.220  17.456  29.295
   38   HD12  ILE   5           HD2      ILE   5  37.940  16.869  28.219
   39   HD13  ILE   5           HD3      ILE   5  37.561  18.011  29.600
   40    HA   PRO   6           HA       PRO   6  35.524  23.674  24.749
   41    HB2  PRO   6           HB2      PRO   6  36.368  23.187  21.893
   42    HB3  PRO   6           HB1      PRO   6  36.360  24.772  22.872
   43    HG2  PRO   6           HG2      PRO   6  38.683  23.422  22.388
   44    HG3  PRO   6           HG1      PRO   6  38.309  24.354  23.914
   45    HD2  PRO   6           HD2      PRO   6  38.318  21.402  23.306
   46    HD3  PRO   6           HD1      PRO   6  38.863  22.201  24.734
   47    HA   DPR   7           HA       DPR   7  32.231  21.355  22.615
   48    HB2  DPR   7           HB1      DPR   7  30.233  22.924  23.497
   49    HB3  DPR   7           HB2      DPR   7  31.134  23.332  22.007
   50    HG2  DPR   7           HG1      DPR   7  31.377  24.501  24.737
   51    HG3  DPR   7           HG2      DPR   7  31.350  25.348  23.172
   52    HD2  DPR   7           HD1      DPR   7  33.561  24.603  24.594
   53    HD3  DPR   7           HD2      DPR   7  33.772  24.902  22.887
   54    H    GLU   8           H        GLU   8  31.658  19.699  23.822
   55    HA   GLU   8           HA       GLU   8  30.235  19.990  26.380
   56    HB2  GLU   8           HB2      GLU   8  29.519  18.656  24.490
   57    HB3  GLU   8           HB1      GLU   8  31.085  17.661  24.688
   58    HG2  GLU   8           HG2      GLU   8  30.003  17.074  26.951
   59    HG3  GLU   8           HG1      GLU   8  28.619  17.933  26.463
   60    H    DLY   9           H        DLY   9  31.456  19.964  28.179
   61    HA   DLY   9           HA       DLY   9  34.103  18.820  28.492
   62    HB2  DLY   9           HB1      DLY   9  31.808  18.272  30.429
   63    HB3  DLY   9           HB2      DLY   9  33.420  17.629  30.615
   64    HG2  DLY   9           HG1      DLY   9  32.995  16.014  28.674
   65    HG3  DLY   9           HG2      DLY   9  31.492  16.832  28.406
   66    HD2  DLY   9           HD1      DLY   9  32.021  15.370  30.975
   67    HD3  DLY   9           HD2      DLY   9  31.129  14.805  29.459
   68    HE2  DLY   9           HE1      DLY   9  29.830  16.956  30.031
   69    HE3  DLY   9           HE2      DLY   9  30.576  16.772  31.714
   70    HZ1  DLY   9           HZ1      DLY   9  29.066  14.661  30.544
   71    HZ2  DLY   9           HZ2      DLY   9  28.398  15.794  31.541
   72    HZ3  DLY   9           HZ3      DLY   9  29.500  14.668  32.029
   73    H    VAL  10           H        VAL  10  35.347  19.888  30.071
   74    HA   VAL  10           HA       VAL  10  33.850  21.985  31.504
   75    HB   VAL  10           HB       VAL  10  35.549  21.484  33.358
   76   HG11  VAL  10          1HG1      VAL  10  34.128  18.880  32.517
   77   HG12  VAL  10          2HG1      VAL  10  33.148  20.172  33.068
   78   HG13  VAL  10          3HG1      VAL  10  34.476  19.390  34.096
   79   HG21  VAL  10          1HG2      VAL  10  36.813  19.387  33.393
   80   HG22  VAL  10          2HG2      VAL  10  37.352  20.430  32.179
   81   HG23  VAL  10          3HG2      VAL  10  36.385  19.122  31.646
   82    H    CYS  11           H        CYS  11  34.799  23.876  31.493
   83    HA   CYS  11           HA       CYS  11  37.753  24.274  30.941
   84    HB2  CYS  11           HB2      CYS  11  36.115  24.680  29.004
   85    HB3  CYS  11           HB1      CYS  11  35.639  26.134  29.847
   86    H    DGL  12           H        DGU  12  38.722  26.068  31.652
   87    HA   DGL  12           HA       DGU  12  37.662  27.090  34.188
   88    HB2  DGL  12           HB1      DGU  12  38.862  28.731  31.909
   89    HB3  DGL  12           HB2      DGU  12  38.948  29.267  33.574
   90    HG2  DGL  12           HG1      DGU  12  36.571  28.993  33.984
   91    HG3  DGL  12           HG2      DGU  12  36.298  28.485  32.338
  Start of MODEL   10
    1    H1   HIS   1           H1       HIS   1  39.100  27.049  35.063
    2    HA   HIS   1           HA       HIS   1  41.367  26.615  35.777
    3    HB2  HIS   1           HB2      HIS   1  39.309  26.400  37.339
    4    HB3  HIS   1           HB1      HIS   1  39.671  24.739  37.347
    5    HD1  HIS   1           HD1      HIS   1  41.957  27.854  37.796
    6    HD2  HIS   1           HD2      HIS   1  41.172  24.075  39.385
    7    HE1  HIS   1           HE1      HIS   1  43.764  27.550  39.507
    8    HE2  HIS   1           HE2      HIS   1  43.378  25.216  40.475
    9    HA   DPR   2           HA       DPR   2  43.045  22.406  35.257
   10    HB2  DPR   2           HB1      DPR   2  45.527  23.022  34.679
   11    HB3  DPR   2           HB2      DPR   2  44.966  23.351  36.295
   12    HG2  DPR   2           HG1      DPR   2  45.589  25.339  34.251
   13    HG3  DPR   2           HG2      DPR   2  45.577  25.374  36.011
   14    HD2  DPR   2           HD1      DPR   2  43.344  26.235  34.194
   15    HD3  DPR   2           HD2      DPR   2  43.377  26.170  36.034
   16    H    DVA   3           H        DVA   3  42.064  24.511  32.853
   17    HA   DVA   3           HA       DVA   3  42.926  22.670  30.738
   18    HB   DVA   3           HB       DVA   3  43.354  24.208  29.108
   19   HG11  DVA   3          1HG1      DVA   3  43.646  26.561  29.749
   20   HG12  DVA   3          2HG1      DVA   3  42.822  26.296  31.336
   21   HG13  DVA   3          3HG1      DVA   3  41.945  26.069  29.775
   22   HG21  DVA   3          1HG2      DVA   3  45.179  23.341  30.371
   23   HG22  DVA   3          2HG2      DVA   3  44.932  24.527  31.607
   24   HG23  DVA   3          3HG2      DVA   3  45.365  25.071  29.908
   25    H    CYS   4           H        CYS   4  41.380  22.321  29.173
   26    HA   CYS   4           HA       CYS   4  38.660  23.297  29.557
   27    HB2  CYS   4           HB2      CYS   4  40.086  25.319  28.594
   28    HB3  CYS   4           HB1      CYS   4  40.296  24.355  27.183
   29    H    ILE   5           H        ILE   5  37.310  22.239  28.438
   30    HA   ILE   5           HA       ILE   5  38.060  20.235  26.334
   31    HB   ILE   5           HB       ILE   5  35.988  19.982  28.543
   32   HG12  ILE   5          2HG1      ILE   5  38.667  18.706  28.265
   33   HG13  ILE   5          1HG1      ILE   5  38.217  19.968  29.361
   34   HG21  ILE   5          1HG2      ILE   5  35.575  17.815  27.539
   35   HG22  ILE   5          2HG2      ILE   5  37.178  17.778  26.788
   36   HG23  ILE   5          3HG2      ILE   5  35.827  18.810  26.126
   37   HD11  ILE   5           HD1      ILE   5  37.939  18.227  30.764
   38   HD12  ILE   5           HD2      ILE   5  37.431  17.116  29.433
   39   HD13  ILE   5           HD3      ILE   5  36.333  18.398  30.214
   40    HA   PRO   6           HA       PRO   6  35.421  23.778  25.130
   41    HB2  PRO   6           HB2      PRO   6  35.951  24.028  22.442
   42    HB3  PRO   6           HB1      PRO   6  36.783  24.700  23.835
   43    HG2  PRO   6           HG2      PRO   6  37.504  22.154  22.307
   44    HG3  PRO   6           HG1      PRO   6  38.656  23.376  22.826
   45    HD2  PRO   6           HD2      PRO   6  38.354  21.152  24.293
   46    HD3  PRO   6           HD1      PRO   6  38.591  22.752  25.092
   47    HA   DPR   7           HA       DPR   7  32.331  22.149  22.418
   48    HB2  DPR   7           HB1      DPR   7  29.937  22.601  23.764
   49    HB3  DPR   7           HB2      DPR   7  30.945  23.827  22.935
   50    HG2  DPR   7           HG1      DPR   7  30.993  23.134  25.872
   51    HG3  DPR   7           HG2      DPR   7  30.931  24.728  25.074
   52    HD2  DPR   7           HD1      DPR   7  33.351  23.596  26.004
   53    HD3  DPR   7           HD2      DPR   7  33.282  24.674  24.626
   54    H    GLU   8           H        GLU   8  33.379  20.556  25.073
   55    HA   GLU   8           HA       GLU   8  31.181  18.483  25.108
   56    HB2  GLU   8           HB2      GLU   8  34.127  18.038  24.651
   57    HB3  GLU   8           HB1      GLU   8  32.951  16.777  24.957
   58    HG2  GLU   8           HG2      GLU   8  31.892  17.085  22.922
   59    HG3  GLU   8           HG1      GLU   8  32.761  18.631  22.502
   60    H    DLY   9           H        DLY   9  32.511  20.668  26.938
   61    HA   DLY   9           HA       DLY   9  32.644  19.016  29.403
   62    HB2  DLY   9           HB1      DLY   9  30.336  19.580  28.530
   63    HB3  DLY   9           HB2      DLY   9  30.647  21.265  29.003
   64    HG2  DLY   9           HG1      DLY   9  31.033  20.607  31.302
   65    HG3  DLY   9           HG2      DLY   9  30.750  18.889  30.728
   66    HD2  DLY   9           HD1      DLY   9  28.807  21.221  30.958
   67    HD3  DLY   9           HD2      DLY   9  28.861  19.737  31.949
   68    HE2  DLY   9           HE1      DLY   9  28.499  18.422  29.821
   69    HE3  DLY   9           HE2      DLY   9  28.090  19.891  28.968
   70    HZ1  DLY   9           HZ1      DLY   9  26.383  20.315  30.676
   71    HZ2  DLY   9           HZ2      DLY   9  26.495  18.609  31.001
   72    HZ3  DLY   9           HZ3      DLY   9  26.114  19.242  29.571
   73    H    VAL  10           H        VAL  10  33.722  19.694  31.084
   74    HA   VAL  10           HA       VAL  10  33.666  22.326  31.821
   75    HB   VAL  10           HB       VAL  10  35.305  21.838  33.517
   76   HG11  VAL  10          1HG1      VAL  10  34.304  19.976  34.691
   77   HG12  VAL  10          2HG1      VAL  10  33.248  19.562  33.389
   78   HG13  VAL  10          3HG1      VAL  10  33.113  21.183  34.153
   79   HG21  VAL  10          1HG2      VAL  10  36.441  19.892  33.899
   80   HG22  VAL  10          2HG2      VAL  10  36.782  20.189  32.111
   81   HG23  VAL  10          3HG2      VAL  10  35.614  19.004  32.607
   82    H    CYS  11           H        CYS  11  34.948  23.877  31.964
   83    HA   CYS  11           HA       CYS  11  37.619  24.189  30.726
   84    HB2  CYS  11           HB2      CYS  11  35.867  24.548  28.779
   85    HB3  CYS  11           HB1      CYS  11  35.236  25.809  29.888
   86    H    DGL  12           H        DGU  12  38.781  25.741  31.429
   87    HA   DGL  12           HA       DGU  12  37.845  27.388  33.648
   88    HB2  DGL  12           HB1      DGU  12  39.722  28.333  31.446
   89    HB3  DGL  12           HB2      DGU  12  39.460  29.182  32.957
   90    HG2  DGL  12           HG1      DGU  12  37.001  29.075  32.529
   91    HG3  DGL  12           HG2      DGU  12  37.141  28.620  31.030
  Start of MODEL   11
    1    H1   HIS   1           H1       HIS   1  38.784  25.556  35.162
    2    HA   HIS   1           HA       HIS   1  41.353  26.314  36.275
    3    HB2  HIS   1           HB2      HIS   1  39.617  26.121  38.046
    4    HB3  HIS   1           HB1      HIS   1  39.226  24.558  37.483
    5    HD1  HIS   1           HD1      HIS   1  42.174  26.513  39.063
    6    HD2  HIS   1           HD2      HIS   1  40.805  22.619  38.462
    7    HE1  HIS   1           HE1      HIS   1  43.779  24.968  40.450
    8    HE2  HIS   1           HE2      HIS   1  42.754  22.582  40.227
    9    HA   DPR   2           HA       DPR   2  42.104  21.916  35.335
   10    HB2  DPR   2           HB1      DPR   2  44.881  21.951  34.737
   11    HB3  DPR   2           HB2      DPR   2  44.085  22.240  36.324
   12    HG2  DPR   2           HG1      DPR   2  44.949  24.357  34.254
   13    HG3  DPR   2           HG2      DPR   2  45.624  24.103  35.738
   14    HD2  DPR   2           HD1      DPR   2  43.301  25.772  35.517
   15    HD3  DPR   2           HD2      DPR   2  43.571  24.727  36.892
   16    H    DVA   3           H        DVA   3  42.009  24.442  33.135
   17    HA   DVA   3           HA       DVA   3  42.773  22.911  30.613
   18    HB   DVA   3           HB       DVA   3  43.182  25.149  29.598
   19   HG11  DVA   3          1HG1      DVA   3  42.279  26.617  31.470
   20   HG12  DVA   3          2HG1      DVA   3  43.989  26.837  30.987
   21   HG13  DVA   3          3HG1      DVA   3  43.568  25.987  32.535
   22   HG21  DVA   3          1HG2      DVA   3  44.961  23.583  30.201
   23   HG22  DVA   3          2HG2      DVA   3  45.060  24.336  31.849
   24   HG23  DVA   3          3HG2      DVA   3  45.468  25.254  30.403
   25    H    CYS   4           H        CYS   4  41.648  23.070  28.866
   26    HA   CYS   4           HA       CYS   4  38.757  23.798  29.122
   27    HB2  CYS   4           HB2      CYS   4  39.875  25.895  28.896
   28    HB3  CYS   4           HB1      CYS   4  40.634  25.305  27.333
   29    H    ILE   5           H        ILE   5  38.009  22.096  28.601
   30    HA   ILE   5           HA       ILE   5  38.546  21.032  25.828
   31    HB   ILE   5           HB       ILE   5  36.702  20.021  28.033
   32   HG12  ILE   5          2HG1      ILE   5  39.016  18.620  26.646
   33   HG13  ILE   5          1HG1      ILE   5  39.107  19.610  28.070
   34   HG21  ILE   5          1HG2      ILE   5  36.895  18.842  25.219
   35   HG22  ILE   5          2HG2      ILE   5  35.525  19.722  25.870
   36   HG23  ILE   5          3HG2      ILE   5  36.035  18.198  26.614
   37   HD11  ILE   5           HD1      ILE   5  37.507  18.179  29.244
   38   HD12  ILE   5           HD2      ILE   5  38.972  17.269  28.780
   39   HD13  ILE   5           HD3      ILE   5  37.577  16.959  27.867
   40    HA   PRO   6           HA       PRO   6  35.051  23.896  24.828
   41    HB2  PRO   6           HB2      PRO   6  35.760  23.121  21.965
   42    HB3  PRO   6           HB1      PRO   6  35.456  24.717  22.670
   43    HG2  PRO   6           HG2      PRO   6  37.848  23.917  22.104
   44    HG3  PRO   6           HG1      PRO   6  37.647  24.842  23.547
   45    HD2  PRO   6           HD2      PRO   6  37.986  21.883  23.342
   46    HD3  PRO   6           HD1      PRO   6  38.732  23.044  24.452
   47    HA   DPR   7           HA       DPR   7  32.363  20.714  22.801
   48    HB2  DPR   7           HB1      DPR   7  29.811  21.809  23.307
   49    HB3  DPR   7           HB2      DPR   7  30.754  22.265  21.956
   50    HG2  DPR   7           HG1      DPR   7  30.865  23.861  24.615
   51    HG3  DPR   7           HG2      DPR   7  30.619  24.366  22.910
   52    HD2  DPR   7           HD1      DPR   7  33.041  24.481  24.216
   53    HD3  DPR   7           HD2      DPR   7  32.911  23.975  22.479
   54    H    GLU   8           H        GLU   8  31.302  19.241  23.867
   55    HA   GLU   8           HA       GLU   8  30.385  19.311  26.577
   56    HB2  GLU   8           HB2      GLU   8  29.599  17.630  24.868
   57    HB3  GLU   8           HB1      GLU   8  31.168  16.860  24.980
   58    HG2  GLU   8           HG2      GLU   8  30.895  16.582  27.454
   59    HG3  GLU   8           HG1      GLU   8  29.305  17.235  27.374
   60    H    DLY   9           H        DLY   9  31.534  19.616  28.280
   61    HA   DLY   9           HA       DLY   9  34.355  19.337  28.337
   62    HB2  DLY   9           HB1      DLY   9  34.229  17.684  30.304
   63    HB3  DLY   9           HB2      DLY   9  33.503  16.999  28.846
   64    HG2  DLY   9           HG1      DLY   9  31.227  17.618  30.001
   65    HG3  DLY   9           HG2      DLY   9  32.145  18.113  31.372
   66    HD2  DLY   9           HD1      DLY   9  31.518  16.142  31.920
   67    HD3  DLY   9           HD2      DLY   9  33.212  15.807  31.337
   68    HE2  DLY   9           HE1      DLY   9  32.371  15.212  29.175
   69    HE3  DLY   9           HE2      DLY   9  30.741  15.021  29.826
   70    HZ1  DLY   9           HZ1      DLY   9  31.528  13.274  31.164
   71    HZ2  DLY   9           HZ2      DLY   9  33.099  13.847  30.879
   72    HZ3  DLY   9           HZ3      DLY   9  32.299  13.104  29.644
   73    H    VAL  10           H        VAL  10  35.295  20.353  29.863
   74    HA   VAL  10           HA       VAL  10  33.810  22.470  31.243
   75    HB   VAL  10           HB       VAL  10  36.214  21.194  32.377
   76   HG11  VAL  10          1HG1      VAL  10  34.132  23.019  33.508
   77   HG12  VAL  10          2HG1      VAL  10  35.967  23.269  33.288
   78   HG13  VAL  10          3HG1      VAL  10  35.322  22.267  34.573
   79   HG21  VAL  10          1HG2      VAL  10  33.235  20.579  32.982
   80   HG22  VAL  10          2HG2      VAL  10  34.609  20.096  34.038
   81   HG23  VAL  10          3HG2      VAL  10  34.530  19.439  32.461
   82    H    CYS  11           H        CYS  11  34.931  24.578  31.472
   83    HA   CYS  11           HA       CYS  11  37.645  24.717  30.491
   84    HB2  CYS  11           HB2      CYS  11  35.907  25.270  28.670
   85    HB3  CYS  11           HB1      CYS  11  35.419  26.680  29.639
   86    H    DGL  12           H        DGU  12  38.976  25.901  31.634
   87    HA   DGL  12           HA       DGU  12  37.846  27.144  34.019
   88    HB2  DGL  12           HB1      DGU  12  38.489  29.004  32.244
   89    HB3  DGL  12           HB2      DGU  12  40.121  28.483  32.347
   90    HG2  DGL  12           HG1      DGU  12  40.119  29.188  34.820
   91    HG3  DGL  12           HG2      DGU  12  38.535  29.701  34.545
  Start of MODEL   12
    1    H1   HIS   1           H1       HIS   1  38.692  25.167  34.533
    2    HA   HIS   1           HA       HIS   1  40.981  25.928  36.373
    3    HB2  HIS   1           HB2      HIS   1  39.013  24.995  37.653
    4    HB3  HIS   1           HB1      HIS   1  38.904  23.691  36.519
    5    HD1  HIS   1           HD1      HIS   1  40.965  24.910  39.620
    6    HD2  HIS   1           HD2      HIS   1  40.878  21.755  36.803
    7    HE1  HIS   1           HE1      HIS   1  42.330  23.126  40.587
    8    HE2  HIS   1           HE2      HIS   1  42.414  21.209  38.820
    9    HA   DPR   2           HA       DPR   2  43.326  22.221  35.095
   10    HB2  DPR   2           HB1      DPR   2  45.331  24.331  34.420
   11    HB3  DPR   2           HB2      DPR   2  45.513  22.690  35.263
   12    HG2  DPR   2           HG1      DPR   2  45.522  25.061  36.595
   13    HG3  DPR   2           HG2      DPR   2  44.647  23.756  37.311
   14    HD2  DPR   2           HD1      DPR   2  43.677  26.062  35.578
   15    HD3  DPR   2           HD2      DPR   2  42.980  25.344  37.070
   16    H    DVA   3           H        DVA   3  42.310  24.829  32.847
   17    HA   DVA   3           HA       DVA   3  43.136  23.106  30.691
   18    HB   DVA   3           HB       DVA   3  43.721  25.125  29.397
   19   HG11  DVA   3          1HG1      DVA   3  42.296  26.750  30.507
   20   HG12  DVA   3          2HG1      DVA   3  43.934  27.363  30.351
   21   HG13  DVA   3          3HG1      DVA   3  43.361  26.759  31.893
   22   HG21  DVA   3          1HG2      DVA   3  45.789  25.738  30.625
   23   HG22  DVA   3          2HG2      DVA   3  45.450  24.060  30.892
   24   HG23  DVA   3          3HG2      DVA   3  45.025  25.339  32.169
   25    H    CYS   4           H        CYS   4  41.735  22.921  28.895
   26    HA   CYS   4           HA       CYS   4  39.060  23.589  29.411
   27    HB2  CYS   4           HB2      CYS   4  40.530  25.559  28.204
   28    HB3  CYS   4           HB1      CYS   4  40.446  24.515  26.809
   29    H    ILE   5           H        ILE   5  37.578  22.578  28.338
   30    HA   ILE   5           HA       ILE   5  38.512  20.434  26.491
   31    HB   ILE   5           HB       ILE   5  36.298  19.894  28.382
   32   HG12  ILE   5          2HG1      ILE   5  39.222  19.121  28.797
   33   HG13  ILE   5          1HG1      ILE   5  38.137  20.195  29.808
   34   HG21  ILE   5          1HG2      ILE   5  36.846  18.766  25.995
   35   HG22  ILE   5          2HG2      ILE   5  36.381  17.782  27.390
   36   HG23  ILE   5          3HG2      ILE   5  38.074  17.899  26.856
   37   HD11  ILE   5           HD1      ILE   5  37.576  17.349  29.453
   38   HD12  ILE   5           HD2      ILE   5  36.657  18.538  30.305
   39   HD13  ILE   5           HD3      ILE   5  38.374  18.368  30.831
   40    HA   PRO   6           HA       PRO   6  35.230  23.517  25.331
   41    HB2  PRO   6           HB2      PRO   6  36.301  23.045  22.525
   42    HB3  PRO   6           HB1      PRO   6  35.911  24.596  23.218
   43    HG2  PRO   6           HG2      PRO   6  38.446  23.834  22.923
   44    HG3  PRO   6           HG1      PRO   6  37.819  24.568  24.472
   45    HD2  PRO   6           HD2      PRO   6  38.203  21.646  23.782
   46    HD3  PRO   6           HD1      PRO   6  38.870  22.416  25.231
   47    HA   DPR   7           HA       DPR   7  32.297  21.085  22.704
   48    HB2  DPR   7           HB1      DPR   7  30.111  22.393  23.372
   49    HB3  DPR   7           HB2      DPR   7  31.216  22.976  22.087
   50    HG2  DPR   7           HG1      DPR   7  31.027  24.062  24.810
   51    HG3  DPR   7           HG2      DPR   7  31.323  24.996  23.282
   52    HD2  DPR   7           HD1      DPR   7  33.305  24.204  24.998
   53    HD3  DPR   7           HD2      DPR   7  33.620  24.427  23.203
   54    H    GLU   8           H        GLU   8  31.046  19.445  23.486
   55    HA   GLU   8           HA       GLU   8  30.109  19.265  26.047
   56    HB2  GLU   8           HB2      GLU   8  29.423  17.667  24.371
   57    HB3  GLU   8           HB1      GLU   8  31.013  16.993  24.214
   58    HG2  GLU   8           HG2      GLU   8  30.728  16.314  26.789
   59    HG3  GLU   8           HG1      GLU   8  29.020  16.748  26.535
   60    H    DLY   9           H        DLY   9  31.249  20.009  27.610
   61    HA   DLY   9           HA       DLY   9  33.939  19.329  28.153
   62    HB2  DLY   9           HB1      DLY   9  33.579  18.256  30.325
   63    HB3  DLY   9           HB2      DLY   9  33.263  17.233  28.954
   64    HG2  DLY   9           HG1      DLY   9  30.757  17.795  29.460
   65    HG3  DLY   9           HG2      DLY   9  31.430  18.575  30.903
   66    HD2  DLY   9           HD1      DLY   9  32.281  16.336  31.654
   67    HD3  DLY   9           HD2      DLY   9  32.086  15.691  30.066
   68    HE2  DLY   9           HE1      DLY   9  29.610  15.870  30.256
   69    HE3  DLY   9           HE2      DLY   9  29.713  16.417  31.793
   70    HZ1  DLY   9           HZ1      DLY   9  30.736  13.797  30.912
   71    HZ2  DLY   9           HZ2      DLY   9  29.500  13.987  31.976
   72    HZ3  DLY   9           HZ3      DLY   9  31.031  14.313  32.418
   73    H    VAL  10           H        VAL  10  34.662  20.377  29.912
   74    HA   VAL  10           HA       VAL  10  33.279  22.741  30.794
   75    HB   VAL  10           HB       VAL  10  34.203  22.446  33.120
   76   HG11  VAL  10          1HG1      VAL  10  32.505  21.199  33.805
   77   HG12  VAL  10          2HG1      VAL  10  32.748  19.894  32.687
   78   HG13  VAL  10          3HG1      VAL  10  31.930  21.451  32.162
   79   HG21  VAL  10          1HG2      VAL  10  36.149  21.112  32.539
   80   HG22  VAL  10          2HG2      VAL  10  35.183  19.807  32.029
   81   HG23  VAL  10          3HG2      VAL  10  35.006  20.254  33.721
   82    H    CYS  11           H        CYS  11  34.784  24.576  31.596
   83    HA   CYS  11           HA       CYS  11  37.594  24.258  30.752
   84    HB2  CYS  11           HB2      CYS  11  36.165  25.207  28.934
   85    HB3  CYS  11           HB1      CYS  11  35.875  26.651  30.001
   86    H    DGL  12           H        DGU  12  38.828  25.877  31.767
   87    HA   DGL  12           HA       DGU  12  37.865  27.642  33.929
   88    HB2  DGL  12           HB1      DGU  12  39.825  28.112  31.685
   89    HB3  DGL  12           HB2      DGU  12  39.924  29.052  33.130
   90    HG2  DGL  12           HG1      DGU  12  37.390  29.732  32.548
   91    HG3  DGL  12           HG2      DGU  12  37.528  28.555  31.285
  Start of MODEL   13
    1    H1   HIS   1           H1       HIS   1  38.957  24.646  35.423
    2    HA   HIS   1           HA       HIS   1  41.459  25.790  36.491
    3    HB2  HIS   1           HB2      HIS   1  39.955  25.346  38.449
    4    HB3  HIS   1           HB1      HIS   1  39.760  23.716  37.973
    5    HD1  HIS   1           HD1      HIS   1  42.576  25.885  39.512
    6    HD2  HIS   1           HD2      HIS   1  41.832  21.964  38.145
    7    HE1  HIS   1           HE1      HIS   1  44.412  24.518  40.419
    8    HE2  HIS   1           HE2      HIS   1  44.090  22.164  39.532
    9    HA   DPR   2           HA       DPR   2  43.171  21.999  34.827
   10    HB2  DPR   2           HB1      DPR   2  45.850  22.612  34.602
   11    HB3  DPR   2           HB2      DPR   2  44.953  22.238  36.061
   12    HG2  DPR   2           HG1      DPR   2  45.761  24.962  34.709
   13    HG3  DPR   2           HG2      DPR   2  45.885  24.505  36.395
   14    HD2  DPR   2           HD1      DPR   2  43.788  25.929  35.335
   15    HD3  DPR   2           HD2      DPR   2  43.731  25.016  36.895
   16    H    DVA   3           H        DVA   3  42.151  24.499  33.155
   17    HA   DVA   3           HA       DVA   3  43.083  23.240  30.604
   18    HB   DVA   3           HB       DVA   3  43.159  25.306  29.478
   19   HG11  DVA   3          1HG1      DVA   3  41.560  26.739  30.690
   20   HG12  DVA   3          2HG1      DVA   3  43.122  27.524  30.775
   21   HG13  DVA   3          3HG1      DVA   3  42.579  26.627  32.176
   22   HG21  DVA   3          1HG2      DVA   3  45.058  26.287  30.200
   23   HG22  DVA   3          2HG2      DVA   3  45.204  24.495  30.706
   24   HG23  DVA   3          3HG2      DVA   3  44.938  25.835  31.821
   25    H    CYS   4           H        CYS   4  41.474  23.839  28.766
   26    HA   CYS   4           HA       CYS   4  38.708  23.285  29.749
   27    HB2  CYS   4           HB2      CYS   4  39.130  25.635  29.442
   28    HB3  CYS   4           HB1      CYS   4  39.625  25.347  27.794
   29    H    ILE   5           H        ILE   5  37.444  22.390  28.317
   30    HA   ILE   5           HA       ILE   5  38.521  21.081  25.870
   31    HB   ILE   5           HB       ILE   5  36.572  20.102  27.987
   32   HG12  ILE   5          2HG1      ILE   5  37.899  17.985  27.970
   33   HG13  ILE   5          1HG1      ILE   5  39.170  18.813  27.109
   34   HG21  ILE   5          1HG2      ILE   5  35.654  19.514  25.855
   35   HG22  ILE   5          2HG2      ILE   5  36.237  18.034  26.597
   36   HG23  ILE   5          3HG2      ILE   5  37.167  18.860  25.253
   37   HD11  ILE   5           HD1      ILE   5  38.181  20.120  29.603
   38   HD12  ILE   5           HD2      ILE   5  39.667  20.404  28.801
   39   HD13  ILE   5           HD3      ILE   5  39.625  18.869  29.565
   40    HA   PRO   6           HA       PRO   6  35.027  23.421  24.596
   41    HB2  PRO   6           HB2      PRO   6  35.366  23.235  21.761
   42    HB3  PRO   6           HB1      PRO   6  36.099  24.497  22.907
   43    HG2  PRO   6           HG2      PRO   6  37.220  21.790  21.950
   44    HG3  PRO   6           HG1      PRO   6  38.059  23.253  21.836
   45    HD2  PRO   6           HD2      PRO   6  38.553  21.647  23.838
   46    HD3  PRO   6           HD1      PRO   6  38.301  23.405  24.216
   47    HA   DPR   7           HA       DPR   7  32.578  20.225  22.671
   48    HB2  DPR   7           HB1      DPR   7  30.026  21.249  22.809
   49    HB3  DPR   7           HB2      DPR   7  31.080  21.843  21.659
   50    HG2  DPR   7           HG1      DPR   7  30.584  23.173  24.268
   51    HG3  DPR   7           HG2      DPR   7  30.903  23.985  22.673
   52    HD2  DPR   7           HD1      DPR   7  32.789  23.540  24.716
   53    HD3  DPR   7           HD2      DPR   7  33.073  23.984  23.070
   54    H    GLU   8           H        GLU   8  31.277  18.484  23.700
   55    HA   GLU   8           HA       GLU   8  30.539  19.035  26.489
   56    HB2  GLU   8           HB2      GLU   8  29.333  17.503  25.262
   57    HB3  GLU   8           HB1      GLU   8  30.767  16.457  24.932
   58    HG2  GLU   8           HG2      GLU   8  30.877  15.772  27.394
   59    HG3  GLU   8           HG1      GLU   8  29.352  16.758  27.530
   60    H    DLY   9           H        DLY   9  31.714  19.109  28.235
   61    HA   DLY   9           HA       DLY   9  34.650  18.543  28.184
   62    HB2  DLY   9           HB1      DLY   9  34.502  17.089  29.959
   63    HB3  DLY   9           HB2      DLY   9  33.364  16.500  28.761
   64    HG2  DLY   9           HG1      DLY   9  31.584  17.224  30.107
   65    HG3  DLY   9           HG2      DLY   9  32.602  18.081  31.285
   66    HD2  DLY   9           HD1      DLY   9  33.707  15.759  31.763
   67    HD3  DLY   9           HD2      DLY   9  32.395  15.128  30.709
   68    HE2  DLY   9           HE1      DLY   9  30.678  16.138  32.147
   69    HE3  DLY   9           HE2      DLY   9  31.944  16.844  33.186
   70    HZ1  DLY   9           HZ1      DLY   9  32.548  14.543  33.743
   71    HZ2  DLY   9           HZ2      DLY   9  31.450  13.978  32.791
   72    HZ3  DLY   9           HZ3      DLY   9  31.018  14.779  34.092
   73    H    VAL  10           H        VAL  10  35.712  19.188  30.170
   74    HA   VAL  10           HA       VAL  10  34.132  21.072  31.835
   75    HB   VAL  10           HB       VAL  10  35.650  20.845  33.544
   76   HG11  VAL  10          1HG1      VAL  10  35.331  18.467  34.111
   77   HG12  VAL  10          2HG1      VAL  10  35.515  18.153  32.399
   78   HG13  VAL  10          3HG1      VAL  10  34.065  19.135  33.006
   79   HG21  VAL  10          1HG2      VAL  10  37.900  20.894  32.774
   80   HG22  VAL  10          2HG2      VAL  10  37.657  19.424  31.770
   81   HG23  VAL  10          3HG2      VAL  10  37.582  19.412  33.535
   82    H    CYS  11           H        CYS  11  35.047  23.163  32.520
   83    HA   CYS  11           HA       CYS  11  37.361  24.149  30.955
   84    HB2  CYS  11           HB2      CYS  11  34.822  24.668  29.848
   85    HB3  CYS  11           HB1      CYS  11  34.930  25.856  31.143
   86    H    DGL  12           H        DGU  12  38.760  24.980  32.370
   87    HA   DGL  12           HA       DGU  12  37.808  26.462  34.624
   88    HB2  DGL  12           HB1      DGU  12  39.188  27.655  32.299
   89    HB3  DGL  12           HB2      DGU  12  39.450  28.397  33.964
   90    HG2  DGL  12           HG1      DGU  12  36.953  28.669  33.905
   91    HG3  DGL  12           HG2      DGU  12  37.016  27.971  32.207
  Start of MODEL   14
    1    H1   HIS   1           H1       HIS   1  38.615  25.650  34.611
    2    HA   HIS   1           HA       HIS   1  41.284  26.191  35.825
    3    HB2  HIS   1           HB2      HIS   1  39.404  26.203  37.351
    4    HB3  HIS   1           HB1      HIS   1  39.069  24.458  37.099
    5    HD1  HIS   1           HD1      HIS   1  42.040  26.731  38.351
    6    HD2  HIS   1           HD2      HIS   1  40.825  22.728  37.902
    7    HE1  HIS   1           HE1      HIS   1  43.603  25.288  39.769
    8    HE2  HIS   1           HE2      HIS   1  42.839  22.951  39.781
    9    HA   DPR   2           HA       DPR   2  42.128  21.898  34.809
   10    HB2  DPR   2           HB1      DPR   2  44.841  22.060  34.113
   11    HB3  DPR   2           HB2      DPR   2  44.195  21.879  35.725
   12    HG2  DPR   2           HG1      DPR   2  45.173  24.386  34.338
   13    HG3  DPR   2           HG2      DPR   2  45.443  23.859  35.950
   14    HD2  DPR   2           HD1      DPR   2  43.500  25.697  35.254
   15    HD3  DPR   2           HD2      DPR   2  43.437  24.767  36.739
   16    H    DVA   3           H        DVA   3  42.562  24.735  32.966
   17    HA   DVA   3           HA       DVA   3  43.194  23.352  30.448
   18    HB   DVA   3           HB       DVA   3  43.241  25.656  29.458
   19   HG11  DVA   3          1HG1      DVA   3  41.890  26.870  31.222
   20   HG12  DVA   3          2HG1      DVA   3  43.370  27.639  30.666
   21   HG13  DVA   3          3HG1      DVA   3  43.188  26.756  32.277
   22   HG21  DVA   3          1HG2      DVA   3  45.417  24.413  30.364
   23   HG22  DVA   3          2HG2      DVA   3  45.209  25.335  31.751
   24   HG23  DVA   3          3HG2      DVA   3  45.459  26.138  30.149
   25    H    CYS   4           H        CYS   4  41.845  23.218  28.867
   26    HA   CYS   4           HA       CYS   4  39.089  23.934  29.348
   27    HB2  CYS   4           HB2      CYS   4  40.633  25.463  27.788
   28    HB3  CYS   4           HB1      CYS   4  40.143  24.253  26.545
   29    H    ILE   5           H        ILE   5  37.489  22.515  28.559
   30    HA   ILE   5           HA       ILE   5  38.479  20.552  26.562
   31    HB   ILE   5           HB       ILE   5  36.310  19.989  28.571
   32   HG12  ILE   5          2HG1      ILE   5  38.798  18.573  28.211
   33   HG13  ILE   5          1HG1      ILE   5  38.578  19.882  29.468
   34   HG21  ILE   5          1HG2      ILE   5  37.125  18.610  26.089
   35   HG22  ILE   5          2HG2      ILE   5  35.542  18.962  26.754
   36   HG23  ILE   5          3HG2      ILE   5  36.523  17.589  27.405
   37   HD11  ILE   5           HD1      ILE   5  36.721  18.413  30.532
   38   HD12  ILE   5           HD2      ILE   5  38.384  17.854  30.662
   39   HD13  ILE   5           HD3      ILE   5  37.310  17.239  29.308
   40    HA   PRO   6           HA       PRO   6  36.005  23.509  24.792
   41    HB2  PRO   6           HB2      PRO   6  36.492  22.212  22.175
   42    HB3  PRO   6           HB1      PRO   6  36.755  23.980  22.581
   43    HG2  PRO   6           HG2      PRO   6  38.697  22.182  22.304
   44    HG3  PRO   6           HG1      PRO   6  38.869  23.516  23.498
   45    HD2  PRO   6           HD2      PRO   6  38.472  20.643  24.081
   46    HD3  PRO   6           HD1      PRO   6  38.986  22.014  25.101
   47    HA   DPR   7           HA       DPR   7  32.088  21.871  22.966
   48    HB2  DPR   7           HB1      DPR   7  30.302  23.277  24.263
   49    HB3  DPR   7           HB2      DPR   7  31.373  23.999  23.057
   50    HG2  DPR   7           HG1      DPR   7  31.950  24.020  26.070
   51    HG3  DPR   7           HG2      DPR   7  31.701  25.394  24.951
   52    HD2  DPR   7           HD1      DPR   7  34.135  24.193  25.624
   53    HD3  DPR   7           HD2      DPR   7  33.935  24.830  23.989
   54    H    GLU   8           H        GLU   8  31.350  19.999  23.677
   55    HA   GLU   8           HA       GLU   8  30.318  19.442  26.099
   56    HB2  GLU   8           HB2      GLU   8  29.777  18.173  24.181
   57    HB3  GLU   8           HB1      GLU   8  31.452  17.475  24.220
   58    HG2  GLU   8           HG2      GLU   8  29.844  15.788  24.975
   59    HG3  GLU   8           HG1      GLU   8  31.020  16.090  26.101
   60    H    DLY   9           H        DLY   9  31.709  20.172  27.827
   61    HA   DLY   9           HA       DLY   9  34.167  19.213  28.398
   62    HB2  DLY   9           HB1      DLY   9  33.959  17.615  30.096
   63    HB3  DLY   9           HB2      DLY   9  33.036  17.028  28.724
   64    HG2  DLY   9           HG1      DLY   9  30.970  18.027  29.682
   65    HG3  DLY   9           HG2      DLY   9  31.898  18.107  31.276
   66    HD2  DLY   9           HD1      DLY   9  32.300  15.714  31.074
   67    HD3  DLY   9           HD2      DLY   9  31.309  15.655  29.535
   68    HE2  DLY   9           HE1      DLY   9  29.427  16.585  30.856
   69    HE3  DLY   9           HE2      DLY   9  30.360  16.129  32.316
   70    HZ1  DLY   9           HZ1      DLY   9  29.684  14.269  30.105
   71    HZ2  DLY   9           HZ2      DLY   9  28.793  14.304  31.368
   72    HZ3  DLY   9           HZ3      DLY   9  30.418  13.894  31.435
   73    H    VAL  10           H        VAL  10  35.002  20.303  30.032
   74    HA   VAL  10           HA       VAL  10  33.421  22.463  31.240
   75    HB   VAL  10           HB       VAL  10  34.806  22.266  33.284
   76   HG11  VAL  10          1HG1      VAL  10  33.110  20.614  34.449
   77   HG12  VAL  10          2HG1      VAL  10  32.588  20.093  32.878
   78   HG13  VAL  10          3HG1      VAL  10  32.321  21.759  33.318
   79   HG21  VAL  10          1HG2      VAL  10  34.855  19.289  32.836
   80   HG22  VAL  10          2HG2      VAL  10  35.495  20.112  34.299
   81   HG23  VAL  10          3HG2      VAL  10  36.240  20.236  32.713
   82    H    CYS  11           H        CYS  11  34.733  24.225  31.755
   83    HA   CYS  11           HA       CYS  11  37.620  24.185  31.008
   84    HB2  CYS  11           HB2      CYS  11  36.315  24.444  28.984
   85    HB3  CYS  11           HB1      CYS  11  35.626  26.012  29.682
   86    H    DGL  12           H        DGU  12  38.774  25.677  31.836
   87    HA   DGL  12           HA       DGU  12  37.760  27.608  33.798
   88    HB2  DGL  12           HB1      DGU  12  39.570  28.261  31.427
   89    HB3  DGL  12           HB2      DGU  12  39.199  29.280  32.854
   90    HG2  DGL  12           HG1      DGU  12  36.741  29.494  31.865
   91    HG3  DGL  12           HG2      DGU  12  37.278  28.506  30.660
  Start of MODEL   15
    1    H1   HIS   1           H1       HIS   1  38.850  25.312  34.995
    2    HA   HIS   1           HA       HIS   1  41.210  25.574  36.863
    3    HB2  HIS   1           HB2      HIS   1  39.306  25.125  38.114
    4    HB3  HIS   1           HB1      HIS   1  38.825  23.710  37.255
    5    HD1  HIS   1           HD1      HIS   1  41.431  24.807  39.623
    6    HD2  HIS   1           HD2      HIS   1  40.304  21.458  37.339
    7    HE1  HIS   1           HE1      HIS   1  42.924  22.913  40.433
    8    HE2  HIS   1           HE2      HIS   1  42.280  20.880  39.005
    9    HA   DPR   2           HA       DPR   2  43.328  21.999  35.139
   10    HB2  DPR   2           HB1      DPR   2  45.378  23.341  33.955
   11    HB3  DPR   2           HB2      DPR   2  45.251  22.620  35.568
   12    HG2  DPR   2           HG1      DPR   2  44.999  25.463  34.713
   13    HG3  DPR   2           HG2      DPR   2  45.646  24.844  36.275
   14    HD2  DPR   2           HD1      DPR   2  43.111  26.003  35.977
   15    HD3  DPR   2           HD2      DPR   2  43.539  24.697  37.163
   16    H    DVA   3           H        DVA   3  42.400  24.773  33.140
   17    HA   DVA   3           HA       DVA   3  42.902  23.041  30.783
   18    HB   DVA   3           HB       DVA   3  43.257  25.241  29.550
   19   HG11  DVA   3          1HG1      DVA   3  43.491  26.710  32.234
   20   HG12  DVA   3          2HG1      DVA   3  41.944  26.589  31.429
   21   HG13  DVA   3          3HG1      DVA   3  43.393  27.219  30.535
   22   HG21  DVA   3          1HG2      DVA   3  45.127  23.923  30.671
   23   HG22  DVA   3          2HG2      DVA   3  45.018  24.992  32.027
   24   HG23  DVA   3          3HG2      DVA   3  45.458  25.729  30.460
   25    H    CYS   4           H        CYS   4  41.851  23.392  28.786
   26    HA   CYS   4           HA       CYS   4  38.983  23.761  29.435
   27    HB2  CYS   4           HB2      CYS   4  39.823  25.792  29.182
   28    HB3  CYS   4           HB1      CYS   4  40.516  25.569  27.564
   29    H    ILE   5           H        ILE   5  37.497  22.833  28.204
   30    HA   ILE   5           HA       ILE   5  38.403  21.139  25.977
   31    HB   ILE   5           HB       ILE   5  36.447  20.565  28.253
   32   HG12  ILE   5          2HG1      ILE   5  38.010  18.341  28.314
   33   HG13  ILE   5          1HG1      ILE   5  39.131  19.452  27.630
   34   HG21  ILE   5          1HG2      ILE   5  36.143  18.308  27.149
   35   HG22  ILE   5          2HG2      ILE   5  37.144  18.981  25.787
   36   HG23  ILE   5          3HG2      ILE   5  35.520  19.628  26.217
   37   HD11  ILE   5           HD1      ILE   5  37.720  19.873  30.243
   38   HD12  ILE   5           HD2      ILE   5  38.959  20.985  29.390
   39   HD13  ILE   5           HD3      ILE   5  39.350  19.334  30.026
   40    HA   PRO   6           HA       PRO   6  35.099  23.566  24.159
   41    HB2  PRO   6           HB2      PRO   6  35.254  22.805  21.588
   42    HB3  PRO   6           HB1      PRO   6  36.390  23.977  22.305
   43    HG2  PRO   6           HG2      PRO   6  37.027  21.082  21.866
   44    HG3  PRO   6           HG1      PRO   6  38.017  22.597  21.681
   45    HD2  PRO   6           HD2      PRO   6  38.196  20.912  23.741
   46    HD3  PRO   6           HD1      PRO   6  38.383  22.751  23.925
   47    HA   DPR   7           HA       DPR   7  32.290  20.289  22.419
   48    HB2  DPR   7           HB1      DPR   7  29.924  21.532  22.806
   49    HB3  DPR   7           HB2      DPR   7  30.985  21.968  21.483
   50    HG2  DPR   7           HG1      DPR   7  30.883  23.419  24.192
   51    HG3  DPR   7           HG2      DPR   7  30.634  24.075  22.513
   52    HD2  DPR   7           HD1      DPR   7  32.861  24.002  24.070
   53    HD3  DPR   7           HD2      DPR   7  33.109  23.902  22.299
   54    H    GLU   8           H        GLU   8  31.011  18.715  23.825
   55    HA   GLU   8           HA       GLU   8  30.114  19.136  26.345
   56    HB2  GLU   8           HB2      GLU   8  29.760  17.295  24.659
   57    HB3  GLU   8           HB1      GLU   8  31.274  16.648  25.241
   58    HG2  GLU   8           HG2      GLU   8  30.510  16.526  27.478
   59    HG3  GLU   8           HG1      GLU   8  28.985  17.307  27.139
   60    H    DLY   9           H        DLY   9  31.203  19.900  28.118
   61    HA   DLY   9           HA       DLY   9  33.992  19.631  28.177
   62    HB2  DLY   9           HB1      DLY   9  34.428  18.455  30.206
   63    HB3  DLY   9           HB2      DLY   9  33.652  17.465  28.974
   64    HG2  DLY   9           HG1      DLY   9  31.422  17.774  30.151
   65    HG3  DLY   9           HG2      DLY   9  32.353  18.625  31.418
   66    HD2  DLY   9           HD1      DLY   9  33.852  16.733  31.579
   67    HD3  DLY   9           HD2      DLY   9  33.133  15.817  30.287
   68    HE2  DLY   9           HE1      DLY   9  32.379  14.961  32.511
   69    HE3  DLY   9           HE2      DLY   9  30.997  15.806  31.771
   70    HZ1  DLY   9           HZ1      DLY   9  31.703  16.353  34.189
   71    HZ2  DLY   9           HZ2      DLY   9  31.217  17.544  33.250
   72    HZ3  DLY   9           HZ3      DLY   9  32.834  17.291  33.424
   73    H    VAL  10           H        VAL  10  34.985  20.784  29.804
   74    HA   VAL  10           HA       VAL  10  33.609  23.154  31.055
   75    HB   VAL  10           HB       VAL  10  34.530  22.866  33.180
   76   HG11  VAL  10          1HG1      VAL  10  32.893  21.269  34.049
   77   HG12  VAL  10          2HG1      VAL  10  32.632  20.685  32.441
   78   HG13  VAL  10          3HG1      VAL  10  32.159  22.407  32.849
   79   HG21  VAL  10          1HG2      VAL  10  35.053  20.582  34.177
   80   HG22  VAL  10          2HG2      VAL  10  36.200  21.046  32.922
   81   HG23  VAL  10          3HG2      VAL  10  34.878  20.007  32.466
   82    H    CYS  11           H        CYS  11  34.880  24.880  31.643
   83    HA   CYS  11           HA       CYS  11  37.722  24.801  30.764
   84    HB2  CYS  11           HB2      CYS  11  35.652  25.736  29.133
   85    HB3  CYS  11           HB1      CYS  11  35.635  26.984  30.316
   86    H    DGL  12           H        DGU  12  39.068  25.753  31.980
   87    HA   DGL  12           HA       DGU  12  37.945  27.254  34.238
   88    HB2  DGL  12           HB1      DGU  12  40.129  28.600  32.665
   89    HB3  DGL  12           HB2      DGU  12  39.081  29.238  33.964
   90    HG2  DGL  12           HG1      DGU  12  37.178  29.444  32.721
   91    HG3  DGL  12           HG2      DGU  12  37.992  28.582  31.328
  Start of MODEL   16
    1    H1   HIS   1           H1       HIS   1  38.745  26.641  35.392
    2    HA   HIS   1           HA       HIS   1  40.863  25.554  36.318
    3    HB2  HIS   1           HB2      HIS   1  38.696  25.576  37.653
    4    HB3  HIS   1           HB1      HIS   1  38.257  24.022  36.902
    5    HD1  HIS   1           HD1      HIS   1  40.488  25.649  39.419
    6    HD2  HIS   1           HD2      HIS   1  39.680  21.921  37.784
    7    HE1  HIS   1           HE1      HIS   1  41.747  23.914  40.930
    8    HE2  HIS   1           HE2      HIS   1  41.122  21.606  39.952
    9    HA   DPR   2           HA       DPR   2  41.485  21.327  34.844
   10    HB2  DPR   2           HB1      DPR   2  44.107  21.151  34.969
   11    HB3  DPR   2           HB2      DPR   2  43.148  21.375  36.499
   12    HG2  DPR   2           HG1      DPR   2  44.558  23.480  34.958
   13    HG3  DPR   2           HG2      DPR   2  44.716  23.180  36.765
   14    HD2  DPR   2           HD1      DPR   2  42.936  25.013  35.706
   15    HD3  DPR   2           HD2      DPR   2  42.590  23.975  37.161
   16    H    DVA   3           H        DVA   3  41.819  24.128  33.061
   17    HA   DVA   3           HA       DVA   3  42.861  22.705  30.625
   18    HB   DVA   3           HB       DVA   3  43.682  25.043  30.031
   19   HG11  DVA   3          1HG1      DVA   3  43.883  26.717  31.693
   20   HG12  DVA   3          2HG1      DVA   3  43.384  25.642  33.001
   21   HG13  DVA   3          3HG1      DVA   3  42.207  26.120  31.730
   22   HG21  DVA   3          1HG2      DVA   3  45.688  24.976  31.259
   23   HG22  DVA   3          2HG2      DVA   3  45.360  23.373  30.763
   24   HG23  DVA   3          3HG2      DVA   3  45.071  23.737  32.419
   25    H    CYS   4           H        CYS   4  41.788  23.273  28.822
   26    HA   CYS   4           HA       CYS   4  38.995  23.919  29.392
   27    HB2  CYS   4           HB2      CYS   4  39.801  26.157  29.082
   28    HB3  CYS   4           HB1      CYS   4  40.661  25.643  27.622
   29    H    ILE   5           H        ILE   5  37.845  22.536  28.104
   30    HA   ILE   5           HA       ILE   5  38.839  21.819  25.369
   31    HB   ILE   5           HB       ILE   5  38.669  20.289  27.259
   32   HG12  ILE   5          2HG1      ILE   5  37.508  19.329  24.639
   33   HG13  ILE   5          1HG1      ILE   5  39.161  19.928  24.734
   34   HG21  ILE   5          1HG2      ILE   5  36.456  20.601  28.001
   35   HG22  ILE   5          2HG2      ILE   5  36.469  18.978  27.280
   36   HG23  ILE   5          3HG2      ILE   5  35.758  20.149  26.325
   37   HD11  ILE   5           HD1      ILE   5  39.477  18.020  26.524
   38   HD12  ILE   5           HD2      ILE   5  38.981  17.461  24.933
   39   HD13  ILE   5           HD3      ILE   5  37.787  17.602  26.203
   40    HA   PRO   6           HA       PRO   6  34.985  23.943  24.014
   41    HB2  PRO   6           HB2      PRO   6  34.699  22.789  21.532
   42    HB3  PRO   6           HB1      PRO   6  35.850  24.099  21.824
   43    HG2  PRO   6           HG2      PRO   6  36.266  21.085  21.920
   44    HG3  PRO   6           HG1      PRO   6  37.190  22.373  20.969
   45    HD2  PRO   6           HD2      PRO   6  38.100  21.398  23.350
   46    HD3  PRO   6           HD1      PRO   6  38.129  23.200  22.906
   47    HA   DPR   7           HA       DPR   7  31.924  21.034  23.216
   48    HB2  DPR   7           HB1      DPR   7  30.137  22.584  24.893
   49    HB3  DPR   7           HB2      DPR   7  29.822  21.936  23.242
   50    HG2  DPR   7           HG1      DPR   7  30.519  24.476  23.499
   51    HG3  DPR   7           HG2      DPR   7  31.451  23.531  22.288
   52    HD2  DPR   7           HD1      DPR   7  32.363  24.199  25.007
   53    HD3  DPR   7           HD2      DPR   7  33.243  24.338  23.427
   54    H    GLU   8           H        GLU   8  32.389  19.016  24.343
   55    HA   GLU   8           HA       GLU   8  30.784  18.519  26.729
   56    HB2  GLU   8           HB2      GLU   8  32.481  16.663  25.115
   57    HB3  GLU   8           HB1      GLU   8  31.388  16.201  26.442
   58    HG2  GLU   8           HG2      GLU   8  29.444  16.896  25.201
   59    HG3  GLU   8           HG1      GLU   8  30.332  17.217  23.837
   60    H    DLY   9           H        DLY   9  32.271  19.962  27.772
   61    HA   DLY   9           HA       DLY   9  34.668  19.037  29.064
   62    HB2  DLY   9           HB1      DLY   9  33.779  18.794  31.414
   63    HB3  DLY   9           HB2      DLY   9  33.552  17.533  30.295
   64    HG2  DLY   9           HG1      DLY   9  31.299  17.675  30.176
   65    HG3  DLY   9           HG2      DLY   9  31.234  19.317  30.734
   66    HD2  DLY   9           HD1      DLY   9  32.099  18.451  33.034
   67    HD3  DLY   9           HD2      DLY   9  31.786  16.800  32.386
   68    HE2  DLY   9           HE1      DLY   9  29.719  17.409  33.601
   69    HE3  DLY   9           HE2      DLY   9  29.494  17.457  31.823
   70    HZ1  DLY   9           HZ1      DLY   9  30.117  19.585  33.778
   71    HZ2  DLY   9           HZ2      DLY   9  28.736  19.308  33.053
   72    HZ3  DLY   9           HZ3      DLY   9  30.039  19.922  32.133
   73    H    VAL  10           H        VAL  10  35.412  20.306  30.925
   74    HA   VAL  10           HA       VAL  10  34.038  22.946  31.284
   75    HB   VAL  10           HB       VAL  10  36.233  21.732  32.869
   76   HG11  VAL  10          1HG1      VAL  10  36.303  24.047  33.439
   77   HG12  VAL  10          2HG1      VAL  10  35.307  23.299  34.588
   78   HG13  VAL  10          3HG1      VAL  10  34.548  24.238  33.257
   79   HG21  VAL  10          1HG2      VAL  10  33.230  21.836  33.453
   80   HG22  VAL  10          2HG2      VAL  10  34.474  21.338  34.581
   81   HG23  VAL  10          3HG2      VAL  10  34.330  20.392  33.121
   82    H    CYS  11           H        CYS  11  34.900  24.759  31.163
   83    HA   CYS  11           HA       CYS  11  37.588  25.147  29.935
   84    HB2  CYS  11           HB2      CYS  11  35.668  25.827  28.512
   85    HB3  CYS  11           HB1      CYS  11  35.580  27.201  29.741
   86    H    DGL  12           H        DGU  12  38.954  25.891  31.453
   87    HA   DGL  12           HA       DGU  12  37.958  27.564  33.784
   88    HB2  DGL  12           HB1      DGU  12  40.244  28.044  31.827
   89    HB3  DGL  12           HB2      DGU  12  40.218  28.891  33.256
   90    HG2  DGL  12           HG1      DGU  12  37.944  29.845  32.750
   91    HG3  DGL  12           HG2      DGU  12  37.799  28.742  31.387
  Start of MODEL   17
    1    H1   HIS   1           H1       HIS   1  38.699  25.244  34.449
    2    HA   HIS   1           HA       HIS   1  41.186  25.994  35.901
    3    HB2  HIS   1           HB2      HIS   1  39.372  25.646  37.627
    4    HB3  HIS   1           HB1      HIS   1  38.880  24.180  36.840
    5    HD1  HIS   1           HD1      HIS   1  41.193  25.637  39.374
    6    HD2  HIS   1           HD2      HIS   1  40.517  21.992  37.342
    7    HE1  HIS   1           HE1      HIS   1  42.412  23.866  40.680
    8    HE2  HIS   1           HE2      HIS   1  42.128  21.699  39.401
    9    HA   DPR   2           HA       DPR   2  42.928  21.885  34.790
   10    HB2  DPR   2           HB1      DPR   2  45.373  23.530  34.592
   11    HB3  DPR   2           HB2      DPR   2  45.054  21.928  35.422
   12    HG2  DPR   2           HG1      DPR   2  45.467  24.243  36.690
   13    HG3  DPR   2           HG2      DPR   2  44.264  22.985  37.269
   14    HD2  DPR   2           HD1      DPR   2  43.725  25.551  35.672
   15    HD3  DPR   2           HD2      DPR   2  42.911  24.975  37.053
   16    H    DVA   3           H        DVA   3  42.426  24.637  32.981
   17    HA   DVA   3           HA       DVA   3  43.035  23.022  30.607
   18    HB   DVA   3           HB       DVA   3  42.866  25.119  29.158
   19   HG11  DVA   3          1HG1      DVA   3  41.870  26.715  30.703
   20   HG12  DVA   3          2HG1      DVA   3  43.409  27.224  30.175
   21   HG13  DVA   3          3HG1      DVA   3  43.208  26.537  31.838
   22   HG21  DVA   3          1HG2      DVA   3  45.301  25.272  31.009
   23   HG22  DVA   3          2HG2      DVA   3  45.083  25.815  29.434
   24   HG23  DVA   3          3HG2      DVA   3  45.058  24.003  29.769
   25    H    CYS   4           H        CYS   4  41.416  22.964  28.898
   26    HA   CYS   4           HA       CYS   4  38.596  23.231  29.771
   27    HB2  CYS   4           HB2      CYS   4  39.351  25.631  29.230
   28    HB3  CYS   4           HB1      CYS   4  39.984  25.079  27.745
   29    H    ILE   5           H        ILE   5  37.420  21.918  28.683
   30    HA   ILE   5           HA       ILE   5  38.435  20.642  26.236
   31    HB   ILE   5           HB       ILE   5  38.389  19.032  27.815
   32   HG12  ILE   5          2HG1      ILE   5  36.777  17.511  26.425
   33   HG13  ILE   5          1HG1      ILE   5  36.408  19.016  25.513
   34   HG21  ILE   5          1HG2      ILE   5  35.432  19.514  28.078
   35   HG22  ILE   5          2HG2      ILE   5  36.589  19.681  29.287
   36   HG23  ILE   5          3HG2      ILE   5  36.152  18.021  28.604
   37   HD11  ILE   5           HD1      ILE   5  38.738  19.154  25.000
   38   HD12  ILE   5           HD2      ILE   5  38.128  17.553  24.521
   39   HD13  ILE   5           HD3      ILE   5  39.031  17.668  26.090
   40    HA   PRO   6           HA       PRO   6  35.329  23.591  25.173
   41    HB2  PRO   6           HB2      PRO   6  35.901  23.801  22.436
   42    HB3  PRO   6           HB1      PRO   6  36.543  24.790  23.768
   43    HG2  PRO   6           HG2      PRO   6  37.649  22.367  22.180
   44    HG3  PRO   6           HG1      PRO   6  38.539  23.769  22.830
   45    HD2  PRO   6           HD2      PRO   6  38.439  21.255  24.044
   46    HD3  PRO   6           HD1      PRO   6  38.756  22.737  24.933
   47    HA   DPR   7           HA       DPR   7  32.379  21.561  22.430
   48    HB2  DPR   7           HB1      DPR   7  30.459  23.005  24.175
   49    HB3  DPR   7           HB2      DPR   7  30.435  22.662  22.476
   50    HG2  DPR   7           HG1      DPR   7  31.337  25.230  23.422
   51    HG3  DPR   7           HG2      DPR   7  32.188  24.421  22.031
   52    HD2  DPR   7           HD1      DPR   7  32.678  24.030  25.028
   53    HD3  DPR   7           HD2      DPR   7  33.806  24.626  23.746
   54    H    GLU   8           H        GLU   8  33.274  20.588  25.401
   55    HA   GLU   8           HA       GLU   8  31.447  18.232  25.057
   56    HB2  GLU   8           HB2      GLU   8  34.522  18.261  25.122
   57    HB3  GLU   8           HB1      GLU   8  33.378  16.916  25.403
   58    HG2  GLU   8           HG2      GLU   8  32.340  16.933  23.432
   59    HG3  GLU   8           HG1      GLU   8  33.225  18.343  22.830
   60    H    DLY   9           H        DLY   9  32.051  20.547  27.081
   61    HA   DLY   9           HA       DLY   9  33.173  19.125  29.327
   62    HB2  DLY   9           HB1      DLY   9  31.237  19.017  30.867
   63    HB3  DLY   9           HB2      DLY   9  30.977  18.187  29.389
   64    HG2  DLY   9           HG1      DLY   9  29.798  20.231  28.522
   65    HG3  DLY   9           HG2      DLY   9  29.755  20.870  30.134
   66    HD2  DLY   9           HD1      DLY   9  28.740  18.416  30.622
   67    HD3  DLY   9           HD2      DLY   9  28.277  18.658  28.864
   68    HE2  DLY   9           HE1      DLY   9  27.690  21.021  29.829
   69    HE3  DLY   9           HE2      DLY   9  27.422  20.080  31.314
   70    HZ1  DLY   9           HZ1      DLY   9  25.808  18.788  30.348
   71    HZ2  DLY   9           HZ2      DLY   9  26.148  19.246  28.834
   72    HZ3  DLY   9           HZ3      DLY   9  25.371  20.297  29.863
   73    H    VAL  10           H        VAL  10  34.045  20.050  30.967
   74    HA   VAL  10           HA       VAL  10  33.405  22.745  31.862
   75    HB   VAL  10           HB       VAL  10  35.308  22.440  33.247
   76   HG11  VAL  10          1HG1      VAL  10  34.197  21.236  34.949
   77   HG12  VAL  10          2HG1      VAL  10  33.443  20.173  33.791
   78   HG13  VAL  10          3HG1      VAL  10  32.877  21.859  33.852
   79   HG21  VAL  10          1HG2      VAL  10  36.452  20.341  33.544
   80   HG22  VAL  10          2HG2      VAL  10  36.300  20.347  31.832
   81   HG23  VAL  10          3HG2      VAL  10  35.078  19.452  32.757
   82    H    CYS  11           H        CYS  11  34.858  24.529  32.154
   83    HA   CYS  11           HA       CYS  11  37.034  24.458  30.372
   84    HB2  CYS  11           HB2      CYS  11  35.001  25.474  29.170
   85    HB3  CYS  11           HB1      CYS  11  35.154  26.885  30.198
   86    H    DGL  12           H        DGU  12  38.868  25.932  31.115
   87    HA   DGL  12           HA       DGU  12  38.235  27.534  33.533
   88    HB2  DGL  12           HB1      DGU  12  40.237  28.065  31.378
   89    HB3  DGL  12           HB2      DGU  12  40.069  28.960  32.980
   90    HG2  DGL  12           HG1      DGU  12  38.044  28.828  30.663
   91    HG3  DGL  12           HG2      DGU  12  39.224  30.010  30.853
  Start of MODEL   18
    1    H1   HIS   1           H1       HIS   1  38.535  25.446  34.413
    2    HA   HIS   1           HA       HIS   1  40.807  25.701  36.262
    3    HB2  HIS   1           HB2      HIS   1  38.642  25.723  37.438
    4    HB3  HIS   1           HB1      HIS   1  38.378  24.034  36.806
    5    HD1  HIS   1           HD1      HIS   1  40.989  26.062  38.858
    6    HD2  HIS   1           HD2      HIS   1  39.516  22.137  38.278
    7    HE1  HIS   1           HE1      HIS   1  42.474  24.468  40.262
    8    HE2  HIS   1           HE2      HIS   1  41.533  22.217  39.936
    9    HA   DPR   2           HA       DPR   2  41.389  21.295  34.811
   10    HB2  DPR   2           HB1      DPR   2  44.126  21.295  34.867
   11    HB3  DPR   2           HB2      DPR   2  43.043  21.397  36.337
   12    HG2  DPR   2           HG1      DPR   2  44.439  23.626  34.777
   13    HG3  DPR   2           HG2      DPR   2  44.594  23.276  36.487
   14    HD2  DPR   2           HD1      DPR   2  42.822  25.066  35.367
   15    HD3  DPR   2           HD2      DPR   2  42.314  24.205  36.915
   16    H    DVA   3           H        DVA   3  41.713  24.163  32.940
   17    HA   DVA   3           HA       DVA   3  42.762  22.585  30.685
   18    HB   DVA   3           HB       DVA   3  43.871  24.517  29.805
   19   HG11  DVA   3          1HG1      DVA   3  42.812  26.407  31.092
   20   HG12  DVA   3          2HG1      DVA   3  44.535  26.280  31.368
   21   HG13  DVA   3          3HG1      DVA   3  43.375  25.814  32.570
   22   HG21  DVA   3          1HG2      DVA   3  45.074  22.759  30.920
   23   HG22  DVA   3          2HG2      DVA   3  44.839  23.464  32.548
   24   HG23  DVA   3          3HG2      DVA   3  45.883  24.265  31.343
   25    H    CYS   4           H        CYS   4  41.626  22.729  28.914
   26    HA   CYS   4           HA       CYS   4  39.107  24.196  28.953
   27    HB2  CYS   4           HB2      CYS   4  41.104  25.659  27.825
   28    HB3  CYS   4           HB1      CYS   4  40.798  24.465  26.606
   29    H    ILE   5           H        ILE   5  37.627  22.879  27.865
   30    HA   ILE   5           HA       ILE   5  38.479  21.441  25.453
   31    HB   ILE   5           HB       ILE   5  38.969  19.586  26.785
   32   HG12  ILE   5          2HG1      ILE   5  36.776  18.148  26.533
   33   HG13  ILE   5          1HG1      ILE   5  36.143  19.563  25.830
   34   HG21  ILE   5          1HG2      ILE   5  37.626  18.757  28.627
   35   HG22  ILE   5          2HG2      ILE   5  36.707  20.356  28.536
   36   HG23  ILE   5          3HG2      ILE   5  38.442  20.160  28.922
   37   HD11  ILE   5           HD1      ILE   5  38.008  19.533  24.064
   38   HD12  ILE   5           HD2      ILE   5  36.969  18.050  24.043
   39   HD13  ILE   5           HD3      ILE   5  38.613  18.020  24.658
   40    HA   PRO   6           HA       PRO   6  34.707  23.812  25.489
   41    HB2  PRO   6           HB2      PRO   6  35.039  23.701  22.528
   42    HB3  PRO   6           HB1      PRO   6  34.695  25.084  23.645
   43    HG2  PRO   6           HG2      PRO   6  37.121  24.778  22.600
   44    HG3  PRO   6           HG1      PRO   6  37.032  25.120  24.340
   45    HD2  PRO   6           HD2      PRO   6  37.238  22.388  23.070
   46    HD3  PRO   6           HD1      PRO   6  38.229  23.253  24.416
   47    HA   DPR   7           HA       DPR   7  31.410  21.369  23.115
   48    HB2  DPR   7           HB1      DPR   7  29.919  22.273  25.526
   49    HB3  DPR   7           HB2      DPR   7  29.425  22.208  23.892
   50    HG2  DPR   7           HG1      DPR   7  30.106  24.571  25.100
   51    HG3  DPR   7           HG2      DPR   7  30.622  24.170  23.407
   52    HD2  DPR   7           HD1      DPR   7  32.217  23.801  25.929
   53    HD3  DPR   7           HD2      DPR   7  32.789  24.595  24.436
   54    H    GLU   8           H        GLU   8  33.408  20.352  25.285
   55    HA   GLU   8           HA       GLU   8  32.016  17.758  25.928
   56    HB2  GLU   8           HB2      GLU   8  34.477  18.250  24.323
   57    HB3  GLU   8           HB1      GLU   8  34.002  16.759  25.008
   58    HG2  GLU   8           HG2      GLU   8  31.693  16.930  23.908
   59    HG3  GLU   8           HG1      GLU   8  32.336  18.285  22.892
   60    H    DLY   9           H        DLY   9  32.233  19.790  27.772
   61    HA   DLY   9           HA       DLY   9  34.632  19.152  29.519
   62    HB2  DLY   9           HB1      DLY   9  33.512  18.352  31.187
   63    HB3  DLY   9           HB2      DLY   9  32.665  17.535  29.863
   64    HG2  DLY   9           HG1      DLY   9  30.820  19.193  30.013
   65    HG3  DLY   9           HG2      DLY   9  31.631  19.808  31.530
   66    HD2  DLY   9           HD1      DLY   9  31.338  17.545  32.462
   67    HD3  DLY   9           HD2      DLY   9  30.480  17.027  30.954
   68    HE2  DLY   9           HE1      DLY   9  29.520  18.975  32.956
   69    HE3  DLY   9           HE2      DLY   9  28.866  17.447  32.595
   70    HZ1  DLY   9           HZ1      DLY   9  28.809  19.607  30.640
   71    HZ2  DLY   9           HZ2      DLY   9  27.594  19.097  31.470
   72    HZ3  DLY   9           HZ3      DLY   9  28.290  18.131  30.281
   73    H    VAL  10           H        VAL  10  34.916  20.718  31.184
   74    HA   VAL  10           HA       VAL  10  33.633  23.320  30.448
   75    HB   VAL  10           HB       VAL  10  33.975  23.923  32.815
   76   HG11  VAL  10          1HG1      VAL  10  31.813  21.994  32.041
   77   HG12  VAL  10          2HG1      VAL  10  31.732  23.552  31.560
   78   HG13  VAL  10          3HG1      VAL  10  31.686  23.417  33.318
   79   HG21  VAL  10          1HG2      VAL  10  35.032  22.208  33.966
   80   HG22  VAL  10          2HG2      VAL  10  33.993  20.931  33.270
   81   HG23  VAL  10          3HG2      VAL  10  33.374  22.089  34.436
   82    H    CYS  11           H        CYS  11  34.967  25.012  30.267
   83    HA   CYS  11           HA       CYS  11  37.877  24.558  30.450
   84    HB2  CYS  11           HB2      CYS  11  36.591  25.267  28.407
   85    HB3  CYS  11           HB1      CYS  11  36.085  26.686  29.007
   86    H    DGL  12           H        DGU  12  39.129  26.286  31.276
   87    HA   DGL  12           HA       DGU  12  37.967  27.687  33.567
   88    HB2  DGL  12           HB1      DGU  12  38.774  29.110  31.776
   89    HB3  DGL  12           HB2      DGU  12  40.304  28.384  31.682
   90    HG2  DGL  12           HG1      DGU  12  40.810  29.052  34.125
   91    HG3  DGL  12           HG2      DGU  12  39.270  29.899  34.139
  Start of MODEL   19
    1    H1   HIS   1           H1       HIS   1  38.406  25.006  33.990
    2    HA   HIS   1           HA       HIS   1  39.975  24.643  36.556
    3    HB2  HIS   1           HB2      HIS   1  37.479  24.306  36.742
    4    HB3  HIS   1           HB1      HIS   1  37.535  22.955  35.721
    5    HD1  HIS   1           HD1      HIS   1  38.840  23.978  39.075
    6    HD2  HIS   1           HD2      HIS   1  38.452  20.622  36.647
    7    HE1  HIS   1           HE1      HIS   1  39.644  21.938  40.433
    8    HE2  HIS   1           HE2      HIS   1  39.312  19.844  39.012
    9    HA   DPR   2           HA       DPR   2  41.458  20.778  34.567
   10    HB2  DPR   2           HB1      DPR   2  44.230  20.980  34.636
   11    HB3  DPR   2           HB2      DPR   2  43.229  20.776  36.118
   12    HG2  DPR   2           HG1      DPR   2  44.292  23.299  35.103
   13    HG3  DPR   2           HG2      DPR   2  44.209  22.624  36.760
   14    HD2  DPR   2           HD1      DPR   2  42.400  24.537  35.752
   15    HD3  DPR   2           HD2      DPR   2  41.959  23.355  36.999
   16    H    DVA   3           H        DVA   3  41.829  23.760  33.200
   17    HA   DVA   3           HA       DVA   3  42.648  22.770  30.521
   18    HB   DVA   3           HB       DVA   3  43.726  24.652  30.014
   19   HG11  DVA   3          1HG1      DVA   3  44.229  26.590  31.587
   20   HG12  DVA   3          2HG1      DVA   3  43.071  25.889  32.666
   21   HG13  DVA   3          3HG1      DVA   3  42.451  26.358  31.048
   22   HG21  DVA   3          1HG2      DVA   3  44.864  22.909  31.562
   23   HG22  DVA   3          2HG2      DVA   3  44.692  24.046  32.817
   24   HG23  DVA   3          3HG2      DVA   3  45.712  24.460  31.342
   25    H    CYS   4           H        CYS   4  41.685  23.285  28.680
   26    HA   CYS   4           HA       CYS   4  39.101  24.263  29.194
   27    HB2  CYS   4           HB2      CYS   4  40.456  26.337  28.898
   28    HB3  CYS   4           HB1      CYS   4  41.006  25.775  27.364
   29    H    ILE   5           H        ILE   5  37.519  23.843  27.354
   30    HA   ILE   5           HA       ILE   5  38.551  22.111  25.240
   31    HB   ILE   5           HB       ILE   5  38.876  20.745  27.016
   32   HG12  ILE   5          2HG1      ILE   5  37.511  18.682  26.518
   33   HG13  ILE   5          1HG1      ILE   5  36.325  19.704  25.701
   34   HG21  ILE   5          1HG2      ILE   5  37.453  21.600  28.748
   35   HG22  ILE   5          2HG2      ILE   5  37.191  19.949  28.601
   36   HG23  ILE   5          3HG2      ILE   5  36.033  21.236  27.982
   37   HD11  ILE   5           HD1      ILE   5  39.174  19.063  24.846
   38   HD12  ILE   5           HD2      ILE   5  38.234  20.267  24.043
   39   HD13  ILE   5           HD3      ILE   5  37.557  18.689  24.050
   40    HA   PRO   6           HA       PRO   6  34.515  23.572  23.834
   41    HB2  PRO   6           HB2      PRO   6  34.962  22.123  21.348
   42    HB3  PRO   6           HB1      PRO   6  34.638  23.852  21.594
   43    HG2  PRO   6           HG2      PRO   6  37.235  22.951  20.976
   44    HG3  PRO   6           HG1      PRO   6  36.765  24.396  21.958
   45    HD2  PRO   6           HD2      PRO   6  37.417  21.498  22.614
   46    HD3  PRO   6           HD1      PRO   6  38.170  23.014  23.357
   47    HA   DPR   7           HA       DPR   7  31.411  20.322  23.483
   48    HB2  DPR   7           HB1      DPR   7  29.596  21.135  25.277
   49    HB3  DPR   7           HB2      DPR   7  29.953  21.962  23.824
   50    HG2  DPR   7           HG1      DPR   7  31.253  22.455  26.553
   51    HG3  DPR   7           HG2      DPR   7  30.525  23.759  25.542
   52    HD2  DPR   7           HD1      DPR   7  33.050  23.529  25.377
   53    HD3  DPR   7           HD2      DPR   7  32.141  23.696  23.835
   54    H    GLU   8           H        GLU   8  33.738  19.447  24.780
   55    HA   GLU   8           HA       GLU   8  32.536  17.464  26.441
   56    HB2  GLU   8           HB2      GLU   8  35.228  17.825  25.248
   57    HB3  GLU   8           HB1      GLU   8  35.026  16.442  26.175
   58    HG2  GLU   8           HG2      GLU   8  32.792  16.282  24.416
   59    HG3  GLU   8           HG1      GLU   8  34.051  17.046  23.500
   60    H    DLY   9           H        DLY   9  32.616  20.170  27.850
   61    HA   DLY   9           HA       DLY   9  34.399  19.476  30.116
   62    HB2  DLY   9           HB1      DLY   9  31.439  20.128  30.473
   63    HB3  DLY   9           HB2      DLY   9  32.626  19.864  31.658
   64    HG2  DLY   9           HG1      DLY   9  32.832  17.518  30.823
   65    HG3  DLY   9           HG2      DLY   9  31.448  17.804  29.778
   66    HD2  DLY   9           HD1      DLY   9  30.066  18.463  31.670
   67    HD3  DLY   9           HD2      DLY   9  31.287  18.077  32.812
   68    HE2  DLY   9           HE1      DLY   9  31.230  15.678  32.436
   69    HE3  DLY   9           HE2      DLY   9  30.086  16.089  31.066
   70    HZ1  DLY   9           HZ1      DLY   9  29.015  15.488  33.244
   71    HZ2  DLY   9           HZ2      DLY   9  28.628  16.966  32.758
   72    HZ3  DLY   9           HZ3      DLY   9  29.691  16.773  33.952
   73    H    VAL  10           H        VAL  10  34.658  21.248  31.571
   74    HA   VAL  10           HA       VAL  10  33.631  23.823  30.604
   75    HB   VAL  10           HB       VAL  10  34.244  24.682  32.903
   76   HG11  VAL  10          1HG1      VAL  10  32.059  23.930  32.093
   77   HG12  VAL  10          2HG1      VAL  10  32.160  23.712  33.849
   78   HG13  VAL  10          3HG1      VAL  10  32.276  22.310  32.692
   79   HG21  VAL  10          1HG2      VAL  10  35.828  22.673  33.487
   80   HG22  VAL  10          2HG2      VAL  10  34.451  21.697  33.613
   81   HG23  VAL  10          3HG2      VAL  10  34.686  23.096  34.741
   82    H    CYS  11           H        CYS  11  34.799  25.792  30.685
   83    HA   CYS  11           HA       CYS  11  37.727  25.449  30.132
   84    HB2  CYS  11           HB2      CYS  11  36.132  26.542  28.522
   85    HB3  CYS  11           HB1      CYS  11  35.907  27.847  29.591
   86    H    DGL  12           H        DGU  12  39.182  25.989  31.681
   87    HA   DGL  12           HA       DGU  12  38.503  27.739  33.927
   88    HB2  DGL  12           HB1      DGU  12  41.065  27.586  32.374
   89    HB3  DGL  12           HB2      DGU  12  40.688  28.571  33.766
   90    HG2  DGL  12           HG1      DGU  12  38.872  29.689  32.753
   91    HG3  DGL  12           HG2      DGU  12  39.359  29.095  31.156
  Start of MODEL   20
    1    H1   HIS   1           H1       HIS   1  37.879  25.498  34.373
    2    HA   HIS   1           HA       HIS   1  40.071  25.090  36.340
    3    HB2  HIS   1           HB2      HIS   1  37.695  25.047  37.010
    4    HB3  HIS   1           HB1      HIS   1  37.430  23.642  35.997
    5    HD1  HIS   1           HD1      HIS   1  38.880  24.625  39.279
    6    HD2  HIS   1           HD2      HIS   1  38.927  21.272  36.651
    7    HE1  HIS   1           HE1      HIS   1  40.032  22.645  40.489
    8    HE2  HIS   1           HE2      HIS   1  39.731  20.598  38.908
    9    HA   DPR   2           HA       DPR   2  41.431  21.275  34.749
   10    HB2  DPR   2           HB1      DPR   2  44.173  22.297  35.023
   11    HB3  DPR   2           HB2      DPR   2  43.391  20.925  35.926
   12    HG2  DPR   2           HG1      DPR   2  44.175  23.314  36.893
   13    HG3  DPR   2           HG2      DPR   2  42.770  22.387  37.560
   14    HD2  DPR   2           HD1      DPR   2  42.403  24.862  35.891
   15    HD3  DPR   2           HD2      DPR   2  41.532  24.100  37.267
   16    H    DVA   3           H        DVA   3  41.762  24.132  32.971
   17    HA   DVA   3           HA       DVA   3  42.949  22.599  30.699
   18    HB   DVA   3           HB       DVA   3  43.919  24.617  29.895
   19   HG11  DVA   3          1HG1      DVA   3  43.657  26.877  31.059
   20   HG12  DVA   3          2HG1      DVA   3  42.738  26.076  32.331
   21   HG13  DVA   3          3HG1      DVA   3  42.226  26.240  30.577
   22   HG21  DVA   3          1HG2      DVA   3  44.550  24.476  32.880
   23   HG22  DVA   3          2HG2      DVA   3  45.427  25.422  31.676
   24   HG23  DVA   3          3HG2      DVA   3  45.313  23.645  31.532
   25    H    CYS   4           H        CYS   4  41.874  22.764  28.714
   26    HA   CYS   4           HA       CYS   4  39.243  24.205  28.845
   27    HB2  CYS   4           HB2      CYS   4  41.357  25.528  28.196
   28    HB3  CYS   4           HB1      CYS   4  41.252  24.727  26.684
   29    H    ILE   5           H        ILE   5  37.770  22.712  28.272
   30    HA   ILE   5           HA       ILE   5  38.168  21.631  25.488
   31    HB   ILE   5           HB       ILE   5  39.078  20.081  26.905
   32   HG12  ILE   5          2HG1      ILE   5  37.515  18.050  26.511
   33   HG13  ILE   5          1HG1      ILE   5  36.310  19.133  25.981
   34   HG21  ILE   5          1HG2      ILE   5  38.263  20.341  29.175
   35   HG22  ILE   5          2HG2      ILE   5  37.799  18.820  28.555
   36   HG23  ILE   5          3HG2      ILE   5  36.541  20.013  28.553
   37   HD11  ILE   5           HD1      ILE   5  37.884  19.919  24.060
   38   HD12  ILE   5           HD2      ILE   5  37.652  18.207  24.106
   39   HD13  ILE   5           HD3      ILE   5  39.115  18.800  24.767
   40    HA   PRO   6           HA       PRO   6  34.269  23.861  26.079
   41    HB2  PRO   6           HB2      PRO   6  34.920  24.516  23.253
   42    HB3  PRO   6           HB1      PRO   6  34.206  25.560  24.512
   43    HG2  PRO   6           HG2      PRO   6  36.798  25.851  23.860
   44    HG3  PRO   6           HG1      PRO   6  36.377  25.796  25.582
   45    HD2  PRO   6           HD2      PRO   6  37.366  23.494  23.834
   46    HD3  PRO   6           HD1      PRO   6  37.969  23.987  25.461
   47    HA   DPR   7           HA       DPR   7  31.703  21.500  23.315
   48    HB2  DPR   7           HB1      DPR   7  29.431  21.419  24.560
   49    HB3  DPR   7           HB2      DPR   7  30.225  22.953  24.062
   50    HG2  DPR   7           HG1      DPR   7  30.214  21.793  26.790
   51    HG3  DPR   7           HG2      DPR   7  29.792  23.399  26.309
   52    HD2  DPR   7           HD1      DPR   7  32.364  22.726  27.093
   53    HD3  DPR   7           HD2      DPR   7  32.060  24.063  25.856
   54    H    GLU   8           H        GLU   8  33.535  20.116  25.393
   55    HA   GLU   8           HA       GLU   8  31.922  17.740  25.996
   56    HB2  GLU   8           HB2      GLU   8  34.659  17.324  24.729
   57    HB3  GLU   8           HB1      GLU   8  33.377  16.235  25.174
   58    HG2  GLU   8           HG2      GLU   8  31.865  16.999  23.711
   59    HG3  GLU   8           HG1      GLU   8  32.956  18.324  23.128
   60    H    DLY   9           H        DLY   9  32.818  19.906  27.567
   61    HA   DLY   9           HA       DLY   9  34.788  19.120  29.464
   62    HB2  DLY   9           HB1      DLY   9  31.823  19.118  30.172
   63    HB3  DLY   9           HB2      DLY   9  33.163  19.017  31.351
   64    HG2  DLY   9           HG1      DLY   9  33.828  16.829  30.462
   65    HG3  DLY   9           HG2      DLY   9  32.208  16.837  29.661
   66    HD2  DLY   9           HD1      DLY   9  31.197  17.285  31.995
   67    HD3  DLY   9           HD2      DLY   9  32.753  17.198  32.608
   68    HE2  DLY   9           HE1      DLY   9  32.990  14.742  31.747
   69    HE3  DLY   9           HE2      DLY   9  31.353  14.838  31.257
   70    HZ1  DLY   9           HZ1      DLY   9  30.921  15.476  33.623
   71    HZ2  DLY   9           HZ2      DLY   9  32.516  15.221  33.980
   72    HZ3  DLY   9           HZ3      DLY   9  31.464  14.014  33.468
   73    H    VAL  10           H        VAL  10  35.377  20.963  30.518
   74    HA   VAL  10           HA       VAL  10  33.844  23.508  30.245
   75    HB   VAL  10           HB       VAL  10  34.342  23.950  32.618
   76   HG11  VAL  10          1HG1      VAL  10  32.447  21.535  32.332
   77   HG12  VAL  10          2HG1      VAL  10  32.219  23.160  31.883
   78   HG13  VAL  10          3HG1      VAL  10  32.463  22.719  33.607
   79   HG21  VAL  10          1HG2      VAL  10  36.141  22.195  32.792
   80   HG22  VAL  10          2HG2      VAL  10  34.867  20.990  32.781
   81   HG23  VAL  10          3HG2      VAL  10  34.975  22.134  34.169
   82    H    CYS  11           H        CYS  11  35.206  25.360  30.431
   83    HA   CYS  11           HA       CYS  11  38.121  24.917  30.207
   84    HB2  CYS  11           HB2      CYS  11  37.043  25.626  28.026
   85    HB3  CYS  11           HB1      CYS  11  36.472  27.044  28.833
   86    H    DGL  12           H        DGU  12  39.257  25.766  31.744
   87    HA   DGL  12           HA       DGU  12  38.176  27.714  33.674
   88    HB2  DGL  12           HB1      DGU  12  40.889  28.256  32.158
   89    HB3  DGL  12           HB2      DGU  12  40.179  28.963  33.594
   90    HG2  DGL  12           HG1      DGU  12  38.893  29.108  30.926
   91    HG3  DGL  12           HG2      DGU  12  40.065  30.276  31.589