*HEADER    DE NOVO PROTEIN                         06-DEC-06   2E4E              
*TITLE     NMR STRUCTURE OF D4P/K7G MUTANT OF GPM12                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GPM12;                                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CHIGNOLIN;                                                  
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICAL PEPTIDE SYNTHESIS                            
*KEYWDS    BETA-HAIRPIN, MINI-PROTEIN, CHIGNOLIN, B1 DOMAIN OF PROTEIN           
*KEYWDS   2 G, DE NOVO PROTEIN                                                   
*EXPDTA    NMR, 23 STRUCTURES                                                    
*AUTHOR    T.TERADA, D.SATOH, T.MIKAWA, Y.ITO, K.SHIMIZU                         
*REVDAT   1   05-FEB-08 2E4E    0                                                


assign (resid   10 and name HN  )(resid   10 and name HA# ) 2.0 0.5 0.8
assign (resid    1 and name HA# )(resid    2 and name HD# ) 5.0 2.5 1.0
assign (resid    1 and name HA# )(resid    2 and name HN  ) 2.0 0.5 0.8
assign (resid    2 and name HA  )(resid    2 and name HB1 ) 2.5 1.0 1.0
assign (resid    2 and name HA  )(resid    2 and name HB2 ) 2.5 1.0 1.0
assign (resid    2 and name HA  )(resid    2 and name HD# ) 2.0 0.5 0.8
assign (resid    2 and name HA  )(resid    3 and name HN  ) 2.0 0.5 0.8
assign (resid    2 and name HB1 )(resid    2 and name HB2 ) 2.0 0.5 0.8
assign (resid    2 and name HB1 )(resid    2 and name HD# ) 2.0 0.5 0.8
assign (resid    2 and name HB1 )(resid    3 and name HN  ) 3.5 1.5 1.0
assign (resid    2 and name HB2 )(resid    2 and name HD# ) 2.0 0.5 0.8
assign (resid    2 and name HB2 )(resid    2 and name HE# ) 5.0 2.5 1.0
assign (resid    2 and name HB2 )(resid    9 and name HE# ) 2.5 1.0 1.0
assign (resid    2 and name HD# )(resid    3 and name HN  ) 2.5 1.0 1.0
assign (resid    2 and name HD# )(resid    4 and name HA  ) 3.5 1.5 1.0
assign (resid    2 and name HD# )(resid    4 and name HB# ) 2.5 1.0 1.0
assign (resid    2 and name HD# )(resid    4 and name HD1 ) 2.5 1.0 1.0
assign (resid    2 and name HD# )(resid    4 and name HG# ) 5.0 2.5 1.0
assign (resid    2 and name HD# )(resid    9 and name HA  ) 3.5 1.5 1.0
assign (resid    2 and name HE# )(resid    3 and name HB1 ) 5.0 2.5 1.0
assign (resid    2 and name HE# )(resid    3 and name HN  ) 5.0 2.5 1.0
assign (resid    2 and name HE# )(resid    4 and name HA  ) 2.5 1.0 1.0
assign (resid    2 and name HE# )(resid    4 and name HB# ) 3.5 1.5 1.0
assign (resid    2 and name HE# )(resid    4 and name HD1 ) 5.0 2.5 1.0
assign (resid    2 and name HE# )(resid    4 and name HG# ) 2.5 1.0 1.0
assign (resid    2 and name HE# )(resid    7 and name HA1 ) 5.0 2.5 1.0
assign (resid    2 and name HE# )(resid    7 and name HA2 ) 2.5 1.0 1.0
assign (resid    2 and name HE# )(resid    8 and name HA  ) 3.5 1.5 1.0
assign (resid    2 and name HE# )((resid    9 and name HD# ) or (resid    9 and name HZ  )) 2.5 1.0 1.0
assign (resid    2 and name HN  )(resid    2 and name HA  ) 2.0 0.5 0.8
assign (resid    2 and name HN  )(resid    2 and name HB1 ) 2.0 0.5 0.8
assign (resid    2 and name HN  )(resid    2 and name HB2 ) 2.0 0.5 0.8
assign (resid    2 and name HN  )(resid    2 and name HD# ) 3.5 1.5 1.0
assign (resid    2 and name HN  )(resid    3 and name HN  ) 3.5 1.5 1.0
assign (resid    3 and name HA  )(resid    3 and name HB1 ) 2.5 1.0 1.0
assign (resid    3 and name HA  )(resid    3 and name HB2 ) 2.5 1.0 1.0
assign (resid    3 and name HA  )(resid    4 and name HD1 ) 2.0 0.5 0.8
assign (resid    3 and name HA  )(resid    4 and name HD2 ) 2.0 0.5 0.8
assign (resid    3 and name HA  )(resid    5 and name HN  ) 3.5 1.5 1.0
assign (resid    3 and name HB1 )(resid    3 and name HB2 ) 2.0 0.5 0.8
assign (resid    3 and name HB1 )(resid    4 and name HD2 ) 5.0 2.5 1.0
assign (resid    3 and name HB1 )(resid    5 and name HN  ) 3.5 1.5 1.0
assign (resid    3 and name HB1 )(resid    6 and name HN  ) 3.5 1.5 1.0
assign (resid    3 and name HB1 )(resid    8 and name HN  ) 3.5 1.5 1.0
assign (resid    3 and name HN  )(resid    3 and name HA  ) 2.0 0.5 0.8
assign (resid    3 and name HN  )(resid    3 and name HB1 ) 2.0 0.5 0.8
assign (resid    3 and name HN  )(resid    3 and name HB2 ) 2.0 0.5 0.8
assign (resid    3 and name HN  )(resid    4 and name HD1 ) 5.0 2.5 1.0
assign (resid    3 and name HN  )(resid    4 and name HD2 ) 5.0 2.5 1.0
assign (resid    3 and name HN  )(resid    9 and name HA  ) 3.5 1.5 1.0
assign (resid    4 and name HA  )(resid    4 and name HB# ) 2.5 1.0 1.0
assign (resid    4 and name HA  )(resid    4 and name HD1 ) 5.0 2.5 1.0
assign (resid    4 and name HA  )(resid    4 and name HG# ) 2.0 0.5 0.8
assign (resid    4 and name HA  )(resid    5 and name HN  ) 2.5 1.0 1.0
assign (resid    4 and name HA  )(resid    6 and name HN  ) 5.0 2.5 1.0
assign (resid    4 and name HA  )(resid    7 and name HN  ) 2.5 1.0 1.0
assign (resid    4 and name HB# )(resid    4 and name HD1 ) 2.5 1.0 1.0
assign (resid    4 and name HB# )(resid    4 and name HD2 ) 2.0 0.5 0.8
assign (resid    4 and name HB# )(resid    4 and name HG# ) 2.0 0.5 0.8
assign (resid    4 and name HB# )(resid    5 and name HN  ) 2.0 0.5 0.8
assign (resid    4 and name HB# )(resid    7 and name HN  ) 5.0 2.5 1.0
assign (resid    4 and name HD1 )(resid    4 and name HD2 ) 2.0 0.5 0.8
assign (resid    4 and name HD2 )(resid    5 and name HN  ) 2.5 1.0 1.0
assign (resid    4 and name HG# )(resid    4 and name HD1 ) 2.5 1.0 1.0
assign (resid    4 and name HG# )(resid    4 and name HD2 ) 5.0 2.5 1.0
assign (resid    4 and name HG# )(resid    5 and name HN  ) 5.0 2.5 1.0
assign (resid    5 and name HA  )(resid    5 and name HB# ) 2.0 0.5 0.8
assign (resid    5 and name HB# )(resid    6 and name HN  ) 2.5 1.0 1.0
assign (resid    5 and name HB# )(resid    7 and name HN  ) 3.5 1.5 1.0
assign (resid    5 and name HN  )(resid    5 and name HA  ) 2.0 0.5 0.8
assign (resid    5 and name HN  )(resid    5 and name HB# ) 2.0 0.5 0.8
assign (resid    5 and name HN  )(resid    6 and name HG2#) 5.0 2.5 1.0
assign (resid    5 and name HN  )(resid    6 and name HN  ) 2.0 0.5 0.8
assign (resid    6 and name HA  )(resid    6 and name HB  ) 2.5 1.0 1.0
assign (resid    6 and name HA  )(resid    6 and name HG2#) 2.0 0.5 0.8
assign (resid    6 and name HA  )(resid    7 and name HN  ) 2.5 1.0 1.0
assign (resid    6 and name HB  )(resid    6 and name HG2#) 2.0 0.5 0.8
assign (resid    6 and name HB  )(resid    7 and name HN  ) 2.5 1.0 1.0
assign (resid    6 and name HB  )(resid    8 and name HN  ) 3.5 1.5 1.0
assign (resid    6 and name HG2#)(resid    7 and name HN  ) 2.5 1.0 1.0
assign (resid    6 and name HN  )(resid    6 and name HA  ) 2.0 0.5 0.8
assign (resid    6 and name HN  )(resid    6 and name HB  ) 2.0 0.5 0.8
assign (resid    6 and name HN  )(resid    6 and name HG2#) 2.5 1.0 1.0
assign (resid    6 and name HN  )(resid    7 and name HN  ) 2.0 0.5 0.8
assign (resid    7 and name HA1 )(resid    8 and name HN  ) 2.5 1.0 1.0
assign (resid    7 and name HA2 )(resid    8 and name HN  ) 2.0 0.5 0.8
assign (resid    7 and name HN  )(resid    7 and name HA1 ) 2.0 0.5 0.8
assign (resid    7 and name HN  )(resid    7 and name HA2 ) 2.0 0.5 0.8
assign (resid    7 and name HN  )(resid    8 and name HN  ) 2.0 0.5 0.8
assign (resid    8 and name HA  )(resid   10 and name HN  ) 5.0 2.5 1.0
assign (resid    8 and name HA  )(resid    8 and name HB  ) 2.5 1.0 1.0
assign (resid    8 and name HA  )(resid    8 and name HG2#) 2.0 0.5 0.8
assign (resid    8 and name HA  )((resid    9 and name HD# ) or (resid    9 and name HZ  )) 2.5 1.0 1.0
assign (resid    8 and name HA  )(resid    9 and name HN  ) 2.0 0.5 0.8
assign (resid    8 and name HB  )(resid    8 and name HG2#) 2.0 0.5 0.8
assign (resid    8 and name HB  )(resid    9 and name HN  ) 2.0 0.5 0.8
assign (resid    8 and name HG2#)(resid   10 and name HN  ) 5.0 2.5 1.0
assign (resid    8 and name HG2#)(resid    9 and name HN  ) 2.5 1.0 1.0
assign (resid    8 and name HN  )(resid    8 and name HA  ) 2.0 0.5 0.8
assign (resid    8 and name HN  )(resid    8 and name HB  ) 2.0 0.5 0.8
assign (resid    8 and name HN  )(resid    8 and name HG2#) 2.5 1.0 1.0
assign (resid    8 and name HN  )(resid    9 and name HN  ) 2.5 1.0 1.0
assign (resid    9 and name HA  )(resid   10 and name HN  ) 2.0 0.5 0.8
assign (resid    9 and name HA  )(resid    9 and name HB1 ) 2.5 1.0 1.0
assign (resid    9 and name HA  )(resid    9 and name HB2 ) 2.5 1.0 1.0
assign (resid    9 and name HA  )((resid    9 and name HD# ) or (resid    9 and name HZ  )) 2.5 1.0 1.0
assign (resid    9 and name HA  )(resid    9 and name HE# ) 5.0 2.5 1.0
assign (resid    9 and name HB1 )(resid   10 and name HN  ) 3.5 1.5 1.0
assign (resid    9 and name HB1 )(resid    9 and name HB2 ) 2.0 0.5 0.8
assign (resid    9 and name HB1 )((resid    9 and name HD# ) or (resid    9 and name HZ  )) 2.0 0.5 0.8
assign (resid    9 and name HB1 )(resid    9 and name HE# ) 3.5 1.5 1.0
assign (resid    9 and name HB2 )(resid   10 and name HN  ) 2.5 1.0 1.0
assign (resid    9 and name HB2 )((resid    9 and name HD# ) or (resid    9 and name HZ  )) 2.0 0.5 0.8
assign (resid    9 and name HB2 )(resid    9 and name HE# ) 3.5 1.5 1.0
assign (resid    9 and name HN  )(resid   10 and name HN  ) 2.5 1.0 1.0
assign (resid    9 and name HN  )(resid    9 and name HA  ) 2.0 0.5 0.8
assign (resid    9 and name HN  )(resid    9 and name HB1 ) 2.5 1.0 1.0
assign (resid    9 and name HN  )(resid    9 and name HB2 ) 2.5 1.0 1.0
assign (resid    9 and name HN  )((resid    9 and name HD# ) or (resid    9 and name HZ  )) 2.5 1.0 1.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1HT      GLY   1   0.285  -7.516  -0.100
    2    H2   GLY   1           2HT      GLY   1  -0.672  -8.413   0.968
    3    H3   GLY   1           3HT      GLY   1   0.105  -7.010   1.504
    4    HA2  GLY   1           1HA      GLY   1  -1.849  -6.900  -0.703
    5    HA3  GLY   1           2HA      GLY   1  -2.388  -6.890   0.969
    6    H    TYR   2           HN       TYR   2  -0.717  -5.314   2.285
    7    HA   TYR   2           HA       TYR   2  -1.467  -2.720   1.538
    8    HB2  TYR   2           2HB      TYR   2  -0.937  -3.322   3.853
    9    HB3  TYR   2           1HB      TYR   2   0.744  -3.599   3.407
   10    HD1  TYR   2           2HD      TYR   2  -1.860  -1.019   3.800
   11    HD2  TYR   2           1HD      TYR   2   2.284  -1.773   3.207
   12    HE1  TYR   2           2HE      TYR   2  -1.369   1.346   4.257
   13    HE2  TYR   2           1HE      TYR   2   2.788   0.583   3.656
   14    HH   TYR   2           HH       TYR   2   1.827   2.498   4.753
   15    H    ASP   3           HN       ASP   3  -0.588  -1.269   0.228
   16    HA   ASP   3           HA       ASP   3   1.840  -1.941  -1.200
   17    HB2  ASP   3           2HB      ASP   3  -0.413  -1.008  -2.198
   18    HB3  ASP   3           1HB      ASP   3   0.272   0.548  -1.733
   19    HA   PRO   4           HA       PRO   4   3.815   0.802   1.808
   20    HB2  PRO   4           2HB      PRO   4   6.303  -0.334   0.771
   21    HB3  PRO   4           1HB      PRO   4   5.635  -0.376   2.409
   22    HG2  PRO   4           2HG      PRO   4   5.727  -2.584   0.929
   23    HG3  PRO   4           1HG      PRO   4   4.351  -2.218   1.988
   24    HD2  PRO   4           2HD      PRO   4   4.548  -1.746  -1.000
   25    HD3  PRO   4           1HD      PRO   4   3.267  -2.569  -0.074
   26    H    ALA   5           HN       ALA   5   4.769   0.368  -1.552
   27    HA   ALA   5           HA       ALA   5   6.490   2.558  -1.805
   28    HB1  ALA   5           3HB      ALA   5   4.776   1.881  -4.121
   29    HB2  ALA   5           1HB      ALA   5   5.779   0.590  -3.461
   30    HB3  ALA   5           2HB      ALA   5   6.524   2.087  -4.024
   31    H    THR   6           HN       THR   6   3.037   2.330  -2.646
   32    HA   THR   6           HA       THR   6   2.857   5.191  -2.881
   33    HB   THR   6           HB       THR   6   0.957   2.908  -3.365
   34    HG1  THR   6           1HG      THR   6   1.480   3.224  -5.374
   35   HG21  THR   6          23HG      THR   6  -0.252   4.915  -2.465
   36   HG22  THR   6          21HG      THR   6  -0.746   4.352  -4.058
   37   HG23  THR   6          22HG      THR   6   0.288   5.773  -3.907
   38    H    GLY   7           HN       GLY   7   2.083   2.662  -0.630
   39    HA2  GLY   7           2HA      GLY   7   1.626   2.889   1.620
   40    HA3  GLY   7           1HA      GLY   7   1.419   4.613   1.380
   41    H    THR   8           HN       THR   8  -0.247   2.117  -0.430
   42    HA   THR   8           HA       THR   8  -2.749   2.936   0.740
   43    HB   THR   8           HB       THR   8  -2.582   1.605  -1.906
   44    HG1  THR   8           1HG      THR   8  -1.921   4.331  -1.503
   45   HG21  THR   8          23HG      THR   8  -4.091   4.057  -1.656
   46   HG22  THR   8          21HG      THR   8  -4.574   2.822  -0.499
   47   HG23  THR   8          22HG      THR   8  -4.591   2.464  -2.224
   48    H    PHE   9           HN       PHE   9  -3.695   0.626  -0.946
   49    HA   PHE   9           HA       PHE   9  -2.836  -1.621   0.631
   50    HB2  PHE   9           2HB      PHE   9  -5.504  -0.392   0.561
   51    HB3  PHE   9           1HB      PHE   9  -5.444  -2.142   0.612
   52    HD1  PHE   9           1HD      PHE   9  -4.744   0.939   2.442
   53    HD2  PHE   9           2HD      PHE   9  -4.626  -3.312   2.568
   54    HE1  PHE   9           1HE      PHE   9  -4.403   1.026   4.877
   55    HE2  PHE   9           2HE      PHE   9  -4.283  -3.233   5.003
   56    HZ   PHE   9           HZ       PHE   9  -4.173  -1.064   6.161
   57    H    GLY  10           HN       GLY  10  -3.031  -0.480  -2.191
   58    HA2  GLY  10           2HA      GLY  10  -2.703  -2.755  -3.678
   59    HA3  GLY  10           1HA      GLY  10  -4.436  -2.462  -3.711
  Start of MODEL    2
    1    H1   GLY   1           1HT      GLY   1  -0.013  -7.079  -0.621
    2    H2   GLY   1           2HT      GLY   1  -0.579  -8.385   0.293
    3    H3   GLY   1           3HT      GLY   1   0.422  -7.224   1.008
    4    HA2  GLY   1           1HA      GLY   1  -2.349  -6.805   0.028
    5    HA3  GLY   1           2HA      GLY   1  -1.840  -6.865   1.709
    6    H    TYR   2           HN       TYR   2  -0.732  -5.113   2.606
    7    HA   TYR   2           HA       TYR   2  -1.476  -2.577   1.695
    8    HB2  TYR   2           2HB      TYR   2  -0.946  -2.973   4.033
    9    HB3  TYR   2           1HB      TYR   2   0.720  -3.366   3.619
   10    HD1  TYR   2           1HD      TYR   2  -1.758  -0.652   3.806
   11    HD2  TYR   2           2HD      TYR   2   2.349  -1.628   3.258
   12    HE1  TYR   2           1HE      TYR   2  -1.162   1.719   4.077
   13    HE2  TYR   2           2HE      TYR   2   2.954   0.732   3.526
   14    HH   TYR   2           HH       TYR   2   1.321   2.910   4.903
   15    H    ASP   3           HN       ASP   3  -0.622  -1.224   0.271
   16    HA   ASP   3           HA       ASP   3   1.786  -1.971  -1.141
   17    HB2  ASP   3           2HB      ASP   3  -0.453  -1.019  -2.141
   18    HB3  ASP   3           1HB      ASP   3   0.257   0.536  -1.721
   19    HA   PRO   4           HA       PRO   4   3.879   0.790   1.774
   20    HB2  PRO   4           2HB      PRO   4   6.314  -0.390   0.644
   21    HB3  PRO   4           1HB      PRO   4   5.727  -0.383   2.313
   22    HG2  PRO   4           2HG      PRO   4   5.713  -2.632   0.904
   23    HG3  PRO   4           1HG      PRO   4   4.379  -2.207   1.996
   24    HD2  PRO   4           2HD      PRO   4   4.487  -1.826  -1.010
   25    HD3  PRO   4           1HD      PRO   4   3.223  -2.596  -0.018
   26    H    ALA   5           HN       ALA   5   4.702   0.334  -1.617
   27    HA   ALA   5           HA       ALA   5   6.436   2.499  -1.950
   28    HB1  ALA   5           3HB      ALA   5   4.564   1.745  -4.143
   29    HB2  ALA   5           1HB      ALA   5   5.737   0.560  -3.571
   30    HB3  ALA   5           2HB      ALA   5   6.288   2.110  -4.208
   31    H    THR   6           HN       THR   6   2.941   2.330  -2.607
   32    HA   THR   6           HA       THR   6   2.806   5.201  -2.819
   33    HB   THR   6           HB       THR   6   0.876   2.951  -3.319
   34    HG1  THR   6           1HG      THR   6   2.183   3.315  -5.034
   35   HG21  THR   6          23HG      THR   6  -0.873   4.364  -3.827
   36   HG22  THR   6          21HG      THR   6   0.152   5.796  -3.835
   37   HG23  THR   6          22HG      THR   6  -0.251   5.009  -2.311
   38    H    GLY   7           HN       GLY   7   2.069   2.652  -0.592
   39    HA2  GLY   7           2HA      GLY   7   1.687   2.852   1.675
   40    HA3  GLY   7           1HA      GLY   7   1.451   4.577   1.465
   41    H    THR   8           HN       THR   8  -0.232   2.133  -0.375
   42    HA   THR   8           HA       THR   8  -2.698   2.787   0.962
   43    HB   THR   8           HB       THR   8  -2.622   1.852  -1.852
   44    HG1  THR   8           1HG      THR   8  -2.035   4.523  -1.114
   45   HG21  THR   8          23HG      THR   8  -4.571   2.815  -0.202
   46   HG22  THR   8          21HG      THR   8  -4.661   2.690  -1.957
   47   HG23  THR   8          22HG      THR   8  -4.161   4.204  -1.205
   48    H    PHE   9           HN       PHE   9  -3.705   0.735  -0.983
   49    HA   PHE   9           HA       PHE   9  -2.830  -1.684   0.351
   50    HB2  PHE   9           2HB      PHE   9  -5.492  -0.514   0.194
   51    HB3  PHE   9           1HB      PHE   9  -5.446  -2.226  -0.192
   52    HD1  PHE   9           1HD      PHE   9  -3.633  -0.158   2.337
   53    HD2  PHE   9           2HD      PHE   9  -6.230  -3.444   1.586
   54    HE1  PHE   9           1HE      PHE   9  -3.610  -0.718   4.730
   55    HE2  PHE   9           2HE      PHE   9  -6.217  -4.007   3.981
   56    HZ   PHE   9           HZ       PHE   9  -4.906  -2.642   5.557
   57    H    GLY  10           HN       GLY  10  -2.821  -0.190  -2.338
   58    HA2  GLY  10           2HA      GLY  10  -2.150  -2.286  -4.010
   59    HA3  GLY  10           1HA      GLY  10  -3.871  -2.021  -4.251
  Start of MODEL    3
    1    H1   GLY   1           1HT      GLY   1  -2.760  -6.313   2.407
    2    H2   GLY   1           2HT      GLY   1  -2.640  -7.921   1.896
    3    H3   GLY   1           3HT      GLY   1  -3.551  -6.815   0.996
    4    HA2  GLY   1           1HA      GLY   1  -0.627  -7.078   1.209
    5    HA3  GLY   1           2HA      GLY   1  -1.622  -6.950  -0.235
    6    H    TYR   2           HN       TYR   2  -0.701  -5.091   2.656
    7    HA   TYR   2           HA       TYR   2  -1.439  -2.571   1.706
    8    HB2  TYR   2           2HB      TYR   2  -0.919  -2.927   4.049
    9    HB3  TYR   2           1HB      TYR   2   0.747  -3.335   3.650
   10    HD1  TYR   2           2HD      TYR   2  -1.719  -0.607   3.779
   11    HD2  TYR   2           1HD      TYR   2   2.389  -1.608   3.278
   12    HE1  TYR   2           2HE      TYR   2  -1.117   1.764   4.023
   13    HE2  TYR   2           1HE      TYR   2   2.999   0.756   3.520
   14    HH   TYR   2           HH       TYR   2   1.077   3.034   4.802
   15    H    ASP   3           HN       ASP   3  -0.589  -1.242   0.261
   16    HA   ASP   3           HA       ASP   3   1.829  -1.997  -1.127
   17    HB2  ASP   3           2HB      ASP   3  -0.372  -1.108  -2.196
   18    HB3  ASP   3           1HB      ASP   3   0.234   0.476  -1.722
   19    HA   PRO   4           HA       PRO   4   3.898   0.799   1.769
   20    HB2  PRO   4           2HB      PRO   4   6.344  -0.368   0.645
   21    HB3  PRO   4           1HB      PRO   4   5.759  -0.350   2.315
   22    HG2  PRO   4           2HG      PRO   4   5.759  -2.612   0.925
   23    HG3  PRO   4           1HG      PRO   4   4.423  -2.188   2.014
   24    HD2  PRO   4           2HD      PRO   4   4.528  -1.836  -0.995
   25    HD3  PRO   4           1HD      PRO   4   3.268  -2.601   0.006
   26    H    ALA   5           HN       ALA   5   4.730   0.343  -1.619
   27    HA   ALA   5           HA       ALA   5   6.443   2.527  -1.957
   28    HB1  ALA   5           3HB      ALA   5   4.542   1.649  -4.102
   29    HB2  ALA   5           1HB      ALA   5   5.873   0.614  -3.587
   30    HB3  ALA   5           2HB      ALA   5   6.205   2.214  -4.252
   31    H    THR   6           HN       THR   6   2.947   2.322  -2.607
   32    HA   THR   6           HA       THR   6   2.778   5.192  -2.815
   33    HB   THR   6           HB       THR   6   0.851   2.927  -3.275
   34    HG1  THR   6           1HG      THR   6   2.166   3.249  -4.997
   35   HG21  THR   6          23HG      THR   6  -0.239   5.038  -2.312
   36   HG22  THR   6          21HG      THR   6  -0.896   4.328  -3.781
   37   HG23  THR   6          22HG      THR   6   0.136   5.753  -3.878
   38    H    GLY   7           HN       GLY   7   2.058   2.623  -0.599
   39    HA2  GLY   7           2HA      GLY   7   1.682   2.793   1.669
   40    HA3  GLY   7           1HA      GLY   7   1.466   4.525   1.484
   41    H    THR   8           HN       THR   8  -0.252   2.123  -0.382
   42    HA   THR   8           HA       THR   8  -2.708   2.800   0.962
   43    HB   THR   8           HB       THR   8  -2.650   1.877  -1.855
   44    HG1  THR   8           1HG      THR   8  -2.028   4.542  -1.127
   45   HG21  THR   8          23HG      THR   8  -4.520   3.042  -0.136
   46   HG22  THR   8          21HG      THR   8  -4.714   2.628  -1.837
   47   HG23  THR   8          22HG      THR   8  -4.152   4.235  -1.379
   48    H    PHE   9           HN       PHE   9  -3.739   0.775  -1.002
   49    HA   PHE   9           HA       PHE   9  -2.876  -1.677   0.265
   50    HB2  PHE   9           2HB      PHE   9  -5.510  -0.437   0.307
   51    HB3  PHE   9           1HB      PHE   9  -5.534  -2.143  -0.109
   52    HD1  PHE   9           1HD      PHE   9  -3.721  -0.010   2.376
   53    HD2  PHE   9           2HD      PHE   9  -6.011  -3.524   1.647
   54    HE1  PHE   9           1HE      PHE   9  -3.556  -0.610   4.757
   55    HE2  PHE   9           2HE      PHE   9  -5.853  -4.126   4.028
   56    HZ   PHE   9           HZ       PHE   9  -4.623  -2.666   5.586
   57    H    GLY  10           HN       GLY  10  -2.998  -0.138  -2.393
   58    HA2  GLY  10           2HA      GLY  10  -2.351  -1.139  -4.478
   59    HA3  GLY  10           1HA      GLY  10  -3.311  -2.546  -4.048
  Start of MODEL    4
    1    H1   GLY   1           1HT      GLY   1  -0.040  -7.574  -0.534
    2    H2   GLY   1           2HT      GLY   1  -0.576  -8.348   0.872
    3    H3   GLY   1           3HT      GLY   1   0.340  -6.929   0.984
    4    HA2  GLY   1           1HA      GLY   1  -2.178  -6.835  -0.510
    5    HA3  GLY   1           2HA      GLY   1  -2.259  -6.892   1.245
    6    H    TYR   2           HN       TYR   2  -0.716  -5.280   2.343
    7    HA   TYR   2           HA       TYR   2  -1.480  -2.688   1.588
    8    HB2  TYR   2           2HB      TYR   2  -0.935  -3.263   3.903
    9    HB3  TYR   2           1HB      TYR   2   0.741  -3.559   3.451
   10    HD1  TYR   2           1HD      TYR   2  -1.842  -0.958   3.835
   11    HD2  TYR   2           2HD      TYR   2   2.292  -1.745   3.215
   12    HE1  TYR   2           1HE      TYR   2  -1.333   1.409   4.261
   13    HE2  TYR   2           2HE      TYR   2   2.815   0.611   3.635
   14    HH   TYR   2           HH       TYR   2   1.803   2.540   4.822
   15    H    ASP   3           HN       ASP   3  -0.606  -1.243   0.267
   16    HA   ASP   3           HA       ASP   3   1.803  -1.934  -1.180
   17    HB2  ASP   3           2HB      ASP   3  -0.449  -0.986  -2.158
   18    HB3  ASP   3           1HB      ASP   3   0.249   0.564  -1.702
   19    HA   PRO   4           HA       PRO   4   3.838   0.796   1.803
   20    HB2  PRO   4           2HB      PRO   4   6.300  -0.364   0.725
   21    HB3  PRO   4           1HB      PRO   4   5.660  -0.397   2.374
   22    HG2  PRO   4           2HG      PRO   4   5.700  -2.611   0.906
   23    HG3  PRO   4           1HG      PRO   4   4.342  -2.219   1.978
   24    HD2  PRO   4           2HD      PRO   4   4.512  -1.759  -1.014
   25    HD3  PRO   4           1HD      PRO   4   3.234  -2.569  -0.072
   26    H    ALA   5           HN       ALA   5   4.744   0.351  -1.570
   27    HA   ALA   5           HA       ALA   5   6.470   2.533  -1.853
   28    HB1  ALA   5           3HB      ALA   5   6.598   1.209  -3.694
   29    HB2  ALA   5           1HB      ALA   5   5.454   2.401  -4.314
   30    HB3  ALA   5           2HB      ALA   5   4.871   0.855  -3.695
   31    H    THR   6           HN       THR   6   2.999   2.324  -2.622
   32    HA   THR   6           HA       THR   6   2.838   5.188  -2.869
   33    HB   THR   6           HB       THR   6   0.932   2.911  -3.357
   34    HG1  THR   6           1HG      THR   6   1.745   3.141  -5.258
   35   HG21  THR   6          23HG      THR   6  -0.241   4.956  -2.417
   36   HG22  THR   6          21HG      THR   6  -0.804   4.321  -3.959
   37   HG23  THR   6          22HG      THR   6   0.221   5.756  -3.917
   38    H    GLY   7           HN       GLY   7   2.083   2.670  -0.607
   39    HA2  GLY   7           2HA      GLY   7   1.645   2.902   1.645
   40    HA3  GLY   7           1HA      GLY   7   1.426   4.625   1.405
   41    H    THR   8           HN       THR   8  -0.232   2.131  -0.405
   42    HA   THR   8           HA       THR   8  -2.733   2.899   0.802
   43    HB   THR   8           HB       THR   8  -2.565   1.678  -1.900
   44    HG1  THR   8           1HG      THR   8  -1.965   4.397  -1.383
   45   HG21  THR   8          23HG      THR   8  -4.124   4.085  -1.506
   46   HG22  THR   8          21HG      THR   8  -4.580   2.764  -0.436
   47   HG23  THR   8          22HG      THR   8  -4.588   2.525  -2.184
   48    H    PHE   9           HN       PHE   9  -3.664   0.646  -0.976
   49    HA   PHE   9           HA       PHE   9  -2.778  -1.650   0.516
   50    HB2  PHE   9           2HB      PHE   9  -5.445  -0.439   0.520
   51    HB3  PHE   9           1HB      PHE   9  -5.397  -2.188   0.441
   52    HD1  PHE   9           1HD      PHE   9  -4.539   0.744   2.477
   53    HD2  PHE   9           2HD      PHE   9  -4.724  -3.505   2.323
   54    HE1  PHE   9           1HE      PHE   9  -4.200   0.645   4.911
   55    HE2  PHE   9           2HE      PHE   9  -4.384  -3.611   4.759
   56    HZ   PHE   9           HZ       PHE   9  -4.122  -1.534   6.055
   57    H    GLY  10           HN       GLY  10  -3.011  -0.397  -2.264
   58    HA2  GLY  10           2HA      GLY  10  -4.375  -2.340  -3.860
   59    HA3  GLY  10           1HA      GLY  10  -3.306  -1.078  -4.456
  Start of MODEL    5
    1    H1   GLY   1           1HT      GLY   1  -3.060  -6.312   1.804
    2    H2   GLY   1           2HT      GLY   1  -2.642  -7.946   1.670
    3    H3   GLY   1           3HT      GLY   1  -3.510  -7.191   0.431
    4    HA2  GLY   1           1HA      GLY   1  -0.670  -7.175   0.981
    5    HA3  GLY   1           2HA      GLY   1  -1.516  -7.006  -0.549
    6    H    TYR   2           HN       TYR   2  -0.649  -5.277   2.413
    7    HA   TYR   2           HA       TYR   2  -1.429  -2.716   1.587
    8    HB2  TYR   2           2HB      TYR   2  -0.903  -3.220   3.918
    9    HB3  TYR   2           1HB      TYR   2   0.780  -3.525   3.491
   10    HD1  TYR   2           1HD      TYR   2  -1.809  -0.917   3.781
   11    HD2  TYR   2           2HD      TYR   2   2.332  -1.717   3.227
   12    HE1  TYR   2           1HE      TYR   2  -1.304   1.461   4.155
   13    HE2  TYR   2           2HE      TYR   2   2.849   0.650   3.596
   14    HH   TYR   2           HH       TYR   2   1.887   2.608   4.637
   15    H    ASP   3           HN       ASP   3  -0.567  -1.295   0.234
   16    HA   ASP   3           HA       ASP   3   1.866  -1.977  -1.174
   17    HB2  ASP   3           2HB      ASP   3  -0.383  -1.069  -2.195
   18    HB3  ASP   3           1HB      ASP   3   0.281   0.498  -1.742
   19    HA   PRO   4           HA       PRO   4   3.846   0.805   1.799
   20    HB2  PRO   4           2HB      PRO   4   6.331  -0.326   0.738
   21    HB3  PRO   4           1HB      PRO   4   5.688  -0.351   2.385
   22    HG2  PRO   4           2HG      PRO   4   5.765  -2.580   0.940
   23    HG3  PRO   4           1HG      PRO   4   4.397  -2.201   2.006
   24    HD2  PRO   4           2HD      PRO   4   4.568  -1.773  -0.991
   25    HD3  PRO   4           1HD      PRO   4   3.298  -2.584  -0.042
   26    H    ALA   5           HN       ALA   5   4.776   0.358  -1.567
   27    HA   ALA   5           HA       ALA   5   6.477   2.556  -1.851
   28    HB1  ALA   5           3HB      ALA   5   4.666   1.284  -3.900
   29    HB2  ALA   5           1HB      ALA   5   6.330   0.824  -3.541
   30    HB3  ALA   5           2HB      ALA   5   5.986   2.398  -4.258
   31    H    THR   6           HN       THR   6   3.009   2.310  -2.622
   32    HA   THR   6           HA       THR   6   2.818   5.172  -2.875
   33    HB   THR   6           HB       THR   6   0.914   2.884  -3.325
   34    HG1  THR   6           1HG      THR   6   1.188   3.385  -5.417
   35   HG21  THR   6          23HG      THR   6  -0.250   4.944  -2.429
   36   HG22  THR   6          21HG      THR   6  -0.806   4.301  -3.970
   37   HG23  THR   6          22HG      THR   6   0.230   5.727  -3.931
   38    H    GLY   7           HN       GLY   7   2.064   2.645  -0.615
   39    HA2  GLY   7           2HA      GLY   7   1.630   2.866   1.640
   40    HA3  GLY   7           1HA      GLY   7   1.434   4.593   1.410
   41    H    THR   8           HN       THR   8  -0.269   2.132  -0.406
   42    HA   THR   8           HA       THR   8  -2.748   2.920   0.831
   43    HB   THR   8           HB       THR   8  -2.626   1.742  -1.889
   44    HG1  THR   8           1HG      THR   8  -1.951   4.435  -1.323
   45   HG21  THR   8          23HG      THR   8  -4.602   2.851  -0.383
   46   HG22  THR   8          21HG      THR   8  -4.642   2.616  -2.128
   47   HG23  THR   8          22HG      THR   8  -4.139   4.168  -1.458
   48    H    PHE   9           HN       PHE   9  -3.737   0.715  -0.966
   49    HA   PHE   9           HA       PHE   9  -2.860  -1.629   0.455
   50    HB2  PHE   9           2HB      PHE   9  -5.507  -0.368   0.551
   51    HB3  PHE   9           1HB      PHE   9  -5.486  -2.118   0.455
   52    HD1  PHE   9           2HD      PHE   9  -4.551   0.785   2.496
   53    HD2  PHE   9           1HD      PHE   9  -4.762  -3.462   2.303
   54    HE1  PHE   9           2HE      PHE   9  -4.148   0.657   4.920
   55    HE2  PHE   9           1HE      PHE   9  -4.359  -3.596   4.726
   56    HZ   PHE   9           HZ       PHE   9  -4.051  -1.534   6.039
   57    H    GLY  10           HN       GLY  10  -3.134  -0.312  -2.288
   58    HA2  GLY  10           2HA      GLY  10  -4.208  -2.640  -3.742
   59    HA3  GLY  10           1HA      GLY  10  -4.122  -1.012  -4.399
  Start of MODEL    6
    1    H1   GLY   1           1HT      GLY   1  -3.541  -6.238   0.837
    2    H2   GLY   1           2HT      GLY   1  -3.156  -7.883   0.907
    3    H3   GLY   1           3HT      GLY   1  -3.488  -7.157  -0.584
    4    HA2  GLY   1           1HA      GLY   1  -1.045  -7.189   0.958
    5    HA3  GLY   1           2HA      GLY   1  -1.273  -7.032  -0.777
    6    H    TYR   2           HN       TYR   2  -0.718  -5.391   2.174
    7    HA   TYR   2           HA       TYR   2  -1.469  -2.781   1.472
    8    HB2  TYR   2           2HB      TYR   2  -0.946  -3.442   3.780
    9    HB3  TYR   2           1HB      TYR   2   0.741  -3.677   3.334
   10    HD1  TYR   2           1HD      TYR   2  -1.916  -1.161   3.782
   11    HD2  TYR   2           2HD      TYR   2   2.243  -1.813   3.174
   12    HE1  TYR   2           1HE      TYR   2  -1.473   1.201   4.301
   13    HE2  TYR   2           2HE      TYR   2   2.698   0.539   3.686
   14    HH   TYR   2           HH       TYR   2   1.492   2.698   3.658
   15    H    ASP   3           HN       ASP   3  -0.572  -1.302   0.203
   16    HA   ASP   3           HA       ASP   3   1.874  -1.958  -1.206
   17    HB2  ASP   3           2HB      ASP   3  -0.368  -1.051  -2.242
   18    HB3  ASP   3           1HB      ASP   3   0.285   0.512  -1.759
   19    HA   PRO   4           HA       PRO   4   3.779   0.805   1.829
   20    HB2  PRO   4           2HB      PRO   4   6.292  -0.303   0.829
   21    HB3  PRO   4           1HB      PRO   4   5.599  -0.358   2.456
   22    HG2  PRO   4           2HG      PRO   4   5.738  -2.561   0.971
   23    HG3  PRO   4           1HG      PRO   4   4.344  -2.210   2.012
   24    HD2  PRO   4           2HD      PRO   4   4.575  -1.733  -0.972
   25    HD3  PRO   4           1HD      PRO   4   3.292  -2.570  -0.064
   26    H    ALA   5           HN       ALA   5   4.782   0.375  -1.516
   27    HA   ALA   5           HA       ALA   5   6.483   2.585  -1.749
   28    HB1  ALA   5           3HB      ALA   5   4.772   1.770  -4.050
   29    HB2  ALA   5           1HB      ALA   5   5.941   0.621  -3.400
   30    HB3  ALA   5           2HB      ALA   5   6.485   2.183  -4.011
   31    H    THR   6           HN       THR   6   3.054   2.311  -2.670
   32    HA   THR   6           HA       THR   6   2.831   5.161  -2.942
   33    HB   THR   6           HB       THR   6   0.948   2.849  -3.353
   34    HG1  THR   6           1HG      THR   6   2.057   2.994  -5.148
   35   HG21  THR   6          23HG      THR   6  -0.247   4.906  -2.523
   36   HG22  THR   6          21HG      THR   6  -0.766   4.252  -4.073
   37   HG23  THR   6          22HG      THR   6   0.266   5.681  -4.019
   38    H    GLY   7           HN       GLY   7   2.090   2.681  -0.630
   39    HA2  GLY   7           2HA      GLY   7   1.630   2.948   1.615
   40    HA3  GLY   7           1HA      GLY   7   1.417   4.667   1.342
   41    H    THR   8           HN       THR   8  -0.239   2.142  -0.430
   42    HA   THR   8           HA       THR   8  -2.748   2.976   0.712
   43    HB   THR   8           HB       THR   8  -2.578   1.567  -1.890
   44    HG1  THR   8           1HG      THR   8  -1.923   4.309  -1.620
   45   HG21  THR   8          23HG      THR   8  -4.712   2.341  -0.940
   46   HG22  THR   8          21HG      THR   8  -4.342   3.036  -2.519
   47   HG23  THR   8          22HG      THR   8  -4.114   3.995  -1.057
   48    H    PHE   9           HN       PHE   9  -3.691   0.628  -0.907
   49    HA   PHE   9           HA       PHE   9  -2.847  -1.573   0.749
   50    HB2  PHE   9           2HB      PHE   9  -5.535  -0.392   0.518
   51    HB3  PHE   9           1HB      PHE   9  -5.425  -2.132   0.699
   52    HD1  PHE   9           2HD      PHE   9  -4.398  -3.106   2.733
   53    HD2  PHE   9           1HD      PHE   9  -5.121   1.069   2.342
   54    HE1  PHE   9           2HE      PHE   9  -4.135  -2.838   5.164
   55    HE2  PHE   9           1HE      PHE   9  -4.859   1.346   4.774
   56    HZ   PHE   9           HZ       PHE   9  -4.366  -0.609   6.188
   57    H    GLY  10           HN       GLY  10  -2.944  -0.527  -2.113
   58    HA2  GLY  10           2HA      GLY  10  -2.603  -1.626  -4.139
   59    HA3  GLY  10           1HA      GLY  10  -3.064  -3.130  -3.355
  Start of MODEL    7
    1    H1   GLY   1           1HT      GLY   1  -3.065  -8.082   0.502
    2    H2   GLY   1           2HT      GLY   1  -3.585  -6.534   0.063
    3    H3   GLY   1           3HT      GLY   1  -3.073  -6.837   1.646
    4    HA2  GLY   1           1HA      GLY   1  -0.828  -7.211   0.927
    5    HA3  GLY   1           2HA      GLY   1  -1.331  -7.040  -0.748
    6    H    TYR   2           HN       TYR   2  -0.701  -5.368   2.253
    7    HA   TYR   2           HA       TYR   2  -1.449  -2.778   1.502
    8    HB2  TYR   2           2HB      TYR   2  -0.927  -3.387   3.820
    9    HB3  TYR   2           1HB      TYR   2   0.760  -3.642   3.382
   10    HD1  TYR   2           1HD      TYR   2  -1.881  -1.099   3.775
   11    HD2  TYR   2           2HD      TYR   2   2.277  -1.793   3.194
   12    HE1  TYR   2           1HE      TYR   2  -1.422   1.271   4.250
   13    HE2  TYR   2           2HE      TYR   2   2.747   0.566   3.663
   14    HH   TYR   2           HH       TYR   2   0.402   2.941   3.690
   15    H    ASP   3           HN       ASP   3  -0.564  -1.314   0.210
   16    HA   ASP   3           HA       ASP   3   1.881  -1.967  -1.199
   17    HB2  ASP   3           2HB      ASP   3  -0.362  -1.064  -2.233
   18    HB3  ASP   3           1HB      ASP   3   0.284   0.500  -1.749
   19    HA   PRO   4           HA       PRO   4   3.798   0.803   1.821
   20    HB2  PRO   4           2HB      PRO   4   6.309  -0.303   0.805
   21    HB3  PRO   4           1HB      PRO   4   5.628  -0.356   2.437
   22    HG2  PRO   4           2HG      PRO   4   5.757  -2.563   0.959
   23    HG3  PRO   4           1HG      PRO   4   4.366  -2.210   2.004
   24    HD2  PRO   4           2HD      PRO   4   4.590  -1.732  -0.980
   25    HD3  PRO   4           1HD      PRO   4   3.311  -2.574  -0.071
   26    H    ALA   5           HN       ALA   5   4.783   0.376  -1.529
   27    HA   ALA   5           HA       ALA   5   6.481   2.589  -1.769
   28    HB1  ALA   5           3HB      ALA   5   4.753   1.204  -3.814
   29    HB2  ALA   5           1HB      ALA   5   6.465   0.936  -3.490
   30    HB3  ALA   5           2HB      ALA   5   5.932   2.454  -4.211
   31    H    THR   6           HN       THR   6   3.046   2.311  -2.669
   32    HA   THR   6           HA       THR   6   2.814   5.161  -2.933
   33    HB   THR   6           HB       THR   6   0.922   2.850  -3.322
   34    HG1  THR   6           1HG      THR   6   1.342   3.136  -5.381
   35   HG21  THR   6          23HG      THR   6   0.254   5.669  -4.042
   36   HG22  THR   6          21HG      THR   6  -0.235   4.948  -2.511
   37   HG23  THR   6          22HG      THR   6  -0.788   4.247  -4.029
   38    H    GLY   7           HN       GLY   7   2.079   2.664  -0.631
   39    HA2  GLY   7           2HA      GLY   7   1.632   2.914   1.616
   40    HA3  GLY   7           1HA      GLY   7   1.429   4.638   1.361
   41    H    THR   8           HN       THR   8  -0.247   2.141  -0.429
   42    HA   THR   8           HA       THR   8  -2.748   2.975   0.734
   43    HB   THR   8           HB       THR   8  -2.597   1.612  -1.893
   44    HG1  THR   8           1HG      THR   8  -1.922   4.346  -1.588
   45   HG21  THR   8          23HG      THR   8  -4.578   2.532  -2.237
   46   HG22  THR   8          21HG      THR   8  -4.036   4.112  -1.676
   47   HG23  THR   8          22HG      THR   8  -4.561   2.897  -0.513
   48    H    PHE   9           HN       PHE   9  -3.713   0.665  -0.925
   49    HA   PHE   9           HA       PHE   9  -2.869  -1.582   0.663
   50    HB2  PHE   9           2HB      PHE   9  -5.537  -0.348   0.553
   51    HB3  PHE   9           1HB      PHE   9  -5.471  -2.098   0.641
   52    HD1  PHE   9           2HD      PHE   9  -4.547  -3.214   2.616
   53    HD2  PHE   9           1HD      PHE   9  -4.913   1.020   2.420
   54    HE1  PHE   9           2HE      PHE   9  -4.224  -3.079   5.051
   55    HE2  PHE   9           1HE      PHE   9  -4.589   1.165   4.854
   56    HZ   PHE   9           HZ       PHE   9  -4.244  -0.885   6.174
   57    H    GLY  10           HN       GLY  10  -3.035  -0.455  -2.166
   58    HA2  GLY  10           2HA      GLY  10  -2.479  -2.014  -4.000
   59    HA3  GLY  10           1HA      GLY  10  -3.841  -2.984  -3.461
  Start of MODEL    8
    1    H1   GLY   1           1HT      GLY   1  -1.152  -8.172  -0.506
    2    H2   GLY   1           2HT      GLY   1  -0.717  -6.672  -1.153
    3    H3   GLY   1           3HT      GLY   1  -2.336  -7.157  -1.162
    4    HA2  GLY   1           1HA      GLY   1  -2.666  -6.716   1.030
    5    HA3  GLY   1           2HA      GLY   1  -0.980  -7.016   1.423
    6    H    TYR   2           HN       TYR   2  -0.758  -5.109   2.592
    7    HA   TYR   2           HA       TYR   2  -1.508  -2.558   1.708
    8    HB2  TYR   2           2HB      TYR   2  -0.963  -2.979   4.040
    9    HB3  TYR   2           1HB      TYR   2   0.699  -3.372   3.610
   10    HD1  TYR   2           1HD      TYR   2  -1.774  -0.654   3.833
   11    HD2  TYR   2           2HD      TYR   2   2.326  -1.636   3.256
   12    HE1  TYR   2           1HE      TYR   2  -1.173   1.713   4.114
   13    HE2  TYR   2           2HE      TYR   2   2.939   0.721   3.536
   14    HH   TYR   2           HH       TYR   2   0.626   3.237   3.536
   15    H    ASP   3           HN       ASP   3  -0.651  -1.200   0.289
   16    HA   ASP   3           HA       ASP   3   1.745  -1.958  -1.140
   17    HB2  ASP   3           2HB      ASP   3  -0.492  -0.996  -2.134
   18    HB3  ASP   3           1HB      ASP   3   0.222   0.555  -1.706
   19    HA   PRO   4           HA       PRO   4   3.866   0.779   1.775
   20    HB2  PRO   4           2HB      PRO   4   6.287  -0.412   0.631
   21    HB3  PRO   4           1HB      PRO   4   5.707  -0.408   2.303
   22    HG2  PRO   4           2HG      PRO   4   5.672  -2.650   0.886
   23    HG3  PRO   4           1HG      PRO   4   4.345  -2.222   1.986
   24    HD2  PRO   4           2HD      PRO   4   4.445  -1.832  -1.020
   25    HD3  PRO   4           1HD      PRO   4   3.179  -2.596  -0.027
   26    H    ALA   5           HN       ALA   5   4.673   0.333  -1.621
   27    HA   ALA   5           HA       ALA   5   6.423   2.489  -1.947
   28    HB1  ALA   5           3HB      ALA   5   6.483   1.209  -3.811
   29    HB2  ALA   5           1HB      ALA   5   5.291   2.380  -4.375
   30    HB3  ALA   5           2HB      ALA   5   4.764   0.822  -3.737
   31    H    THR   6           HN       THR   6   2.929   2.339  -2.622
   32    HA   THR   6           HA       THR   6   2.807   5.211  -2.823
   33    HB   THR   6           HB       THR   6   0.874   2.967  -3.334
   34    HG1  THR   6           1HG      THR   6   1.034   3.682  -5.417
   35   HG21  THR   6          23HG      THR   6  -0.878   4.384  -3.834
   36   HG22  THR   6          21HG      THR   6   0.145   5.820  -3.814
   37   HG23  THR   6          22HG      THR   6  -0.262   5.003  -2.305
   38    H    GLY   7           HN       GLY   7   2.085   2.671  -0.589
   39    HA2  GLY   7           2HA      GLY   7   1.707   2.878   1.678
   40    HA3  GLY   7           1HA      GLY   7   1.455   4.599   1.459
   41    H    THR   8           HN       THR   8  -0.209   2.147  -0.377
   42    HA   THR   8           HA       THR   8  -2.678   2.769   0.971
   43    HB   THR   8           HB       THR   8  -2.593   1.848  -1.851
   44    HG1  THR   8           1HG      THR   8  -2.072   4.528  -1.092
   45   HG21  THR   8          23HG      THR   8  -4.573   2.706  -0.211
   46   HG22  THR   8          21HG      THR   8  -4.641   2.683  -1.972
   47   HG23  THR   8          22HG      THR   8  -4.183   4.161  -1.126
   48    H    PHE   9           HN       PHE   9  -3.644   0.702  -1.001
   49    HA   PHE   9           HA       PHE   9  -2.754  -1.702   0.350
   50    HB2  PHE   9           2HB      PHE   9  -5.426  -0.562   0.169
   51    HB3  PHE   9           1HB      PHE   9  -5.359  -2.274  -0.214
   52    HD1  PHE   9           1HD      PHE   9  -3.629  -0.152   2.334
   53    HD2  PHE   9           2HD      PHE   9  -6.103  -3.526   1.552
   54    HE1  PHE   9           1HE      PHE   9  -3.621  -0.708   4.729
   55    HE2  PHE   9           2HE      PHE   9  -6.102  -4.085   3.948
   56    HZ   PHE   9           HZ       PHE   9  -4.860  -2.675   5.540
   57    H    GLY  10           HN       GLY  10  -2.737  -0.217  -2.343
   58    HA2  GLY  10           2HA      GLY  10  -2.041  -1.027  -4.434
   59    HA3  GLY  10           1HA      GLY  10  -2.556  -2.635  -3.946
  Start of MODEL    9
    1    H1   GLY   1           1HT      GLY   1  -3.329  -6.514   0.081
    2    H2   GLY   1           2HT      GLY   1  -2.913  -7.296   1.522
    3    H3   GLY   1           3HT      GLY   1  -2.886  -8.148   0.060
    4    HA2  GLY   1           1HA      GLY   1  -0.677  -7.299   1.075
    5    HA3  GLY   1           2HA      GLY   1  -0.950  -7.200  -0.657
    6    H    TYR   2           HN       TYR   2  -0.547  -5.438   2.282
    7    HA   TYR   2           HA       TYR   2  -1.366  -2.889   1.467
    8    HB2  TYR   2           2HB      TYR   2  -0.885  -3.418   3.806
    9    HB3  TYR   2           1HB      TYR   2   0.817  -3.658   3.416
   10    HD1  TYR   2           1HD      TYR   2  -1.869  -1.148   3.679
   11    HD2  TYR   2           2HD      TYR   2   2.313  -1.791   3.219
   12    HE1  TYR   2           1HE      TYR   2  -1.459   1.240   4.102
   13    HE2  TYR   2           2HE      TYR   2   2.734   0.587   3.637
   14    HH   TYR   2           HH       TYR   2   0.354   2.924   3.542
   15    H    ASP   3           HN       ASP   3  -0.505  -1.426   0.158
   16    HA   ASP   3           HA       ASP   3   1.983  -2.027  -1.194
   17    HB2  ASP   3           2HB      ASP   3  -0.268  -1.182  -2.265
   18    HB3  ASP   3           1HB      ASP   3   0.345   0.401  -1.793
   19    HA   PRO   4           HA       PRO   4   3.790   0.810   1.832
   20    HB2  PRO   4           2HB      PRO   4   6.339  -0.248   0.857
   21    HB3  PRO   4           1HB      PRO   4   5.641  -0.298   2.482
   22    HG2  PRO   4           2HG      PRO   4   5.835  -2.517   1.030
   23    HG3  PRO   4           1HG      PRO   4   4.425  -2.184   2.055
   24    HD2  PRO   4           2HD      PRO   4   4.675  -1.738  -0.933
   25    HD3  PRO   4           1HD      PRO   4   3.402  -2.593  -0.028
   26    H    ALA   5           HN       ALA   5   4.838   0.378  -1.500
   27    HA   ALA   5           HA       ALA   5   6.476   2.637  -1.735
   28    HB1  ALA   5           3HB      ALA   5   6.591   2.133  -3.945
   29    HB2  ALA   5           1HB      ALA   5   4.855   1.862  -4.087
   30    HB3  ALA   5           2HB      ALA   5   5.887   0.618  -3.382
   31    H    THR   6           HN       THR   6   3.057   2.253  -2.658
   32    HA   THR   6           HA       THR   6   2.750   5.082  -3.004
   33    HB   THR   6           HB       THR   6   0.889   2.724  -3.261
   34    HG1  THR   6           1HG      THR   6   2.047   2.769  -5.050
   35   HG21  THR   6          23HG      THR   6  -0.853   4.044  -3.972
   36   HG22  THR   6          21HG      THR   6   0.172   5.462  -4.185
   37   HG23  THR   6          22HG      THR   6  -0.240   4.909  -2.564
   38    H    GLY   7           HN       GLY   7   2.043   2.639  -0.623
   39    HA2  GLY   7           2HA      GLY   7   1.611   2.940   1.619
   40    HA3  GLY   7           1HA      GLY   7   1.439   4.661   1.333
   41    H    THR   8           HN       THR   8  -0.312   2.176  -0.398
   42    HA   THR   8           HA       THR   8  -2.770   3.031   0.840
   43    HB   THR   8           HB       THR   8  -2.684   1.794  -1.859
   44    HG1  THR   8           1HG      THR   8  -2.013   4.504  -1.378
   45   HG21  THR   8          23HG      THR   8  -4.630   2.974  -0.354
   46   HG22  THR   8          21HG      THR   8  -4.695   2.674  -2.089
   47   HG23  THR   8          22HG      THR   8  -4.163   4.244  -1.483
   48    H    PHE   9           HN       PHE   9  -3.804   0.799  -0.903
   49    HA   PHE   9           HA       PHE   9  -2.960  -1.515   0.589
   50    HB2  PHE   9           2HB      PHE   9  -5.619  -0.252   0.550
   51    HB3  PHE   9           1HB      PHE   9  -5.562  -2.004   0.595
   52    HD1  PHE   9           1HD      PHE   9  -4.572  -3.170   2.522
   53    HD2  PHE   9           2HD      PHE   9  -5.007   1.062   2.448
   54    HE1  PHE   9           1HE      PHE   9  -4.211  -3.096   4.953
   55    HE2  PHE   9           2HE      PHE   9  -4.650   1.145   4.883
   56    HZ   PHE   9           HZ       PHE   9  -4.250  -0.936   6.138
   57    H    GLY  10           HN       GLY  10  -3.151  -0.288  -2.198
   58    HA2  GLY  10           2HA      GLY  10  -2.818  -2.456  -3.788
   59    HA3  GLY  10           1HA      GLY  10  -4.566  -2.283  -3.729
  Start of MODEL   10
    1    H1   GLY   1           1HT      GLY   1   0.188  -8.511   0.787
    2    H2   GLY   1           2HT      GLY   1  -0.560  -7.874   2.165
    3    H3   GLY   1           3HT      GLY   1   0.699  -7.026   1.418
    4    HA2  GLY   1           1HA      GLY   1  -1.006  -7.280  -0.629
    5    HA3  GLY   1           2HA      GLY   1  -2.112  -7.163   0.732
    6    H    TYR   2           HN       TYR   2  -0.472  -5.469   2.349
    7    HA   TYR   2           HA       TYR   2  -1.304  -2.954   1.463
    8    HB2  TYR   2           2HB      TYR   2  -0.845  -3.417   3.817
    9    HB3  TYR   2           1HB      TYR   2   0.863  -3.650   3.457
   10    HD1  TYR   2           2HD      TYR   2  -1.849  -1.163   3.632
   11    HD2  TYR   2           1HD      TYR   2   2.344  -1.772   3.227
   12    HE1  TYR   2           2HE      TYR   2  -1.467   1.238   4.003
   13    HE2  TYR   2           1HE      TYR   2   2.737   0.619   3.593
   14    HH   TYR   2           HH       TYR   2   1.655   2.536   4.577
   15    H    ASP   3           HN       ASP   3  -0.454  -1.505   0.133
   16    HA   ASP   3           HA       ASP   3   2.060  -2.085  -1.175
   17    HB2  ASP   3           2HB      ASP   3  -0.186  -1.290  -2.290
   18    HB3  ASP   3           1HB      ASP   3   0.389   0.309  -1.825
   19    HA   PRO   4           HA       PRO   4   3.793   0.809   1.840
   20    HB2  PRO   4           2HB      PRO   4   6.368  -0.204   0.882
   21    HB3  PRO   4           1HB      PRO   4   5.666  -0.251   2.505
   22    HG2  PRO   4           2HG      PRO   4   5.905  -2.482   1.081
   23    HG3  PRO   4           1HG      PRO   4   4.482  -2.163   2.092
   24    HD2  PRO   4           2HD      PRO   4   4.743  -1.745  -0.899
   25    HD3  PRO   4           1HD      PRO   4   3.480  -2.614   0.009
   26    H    ALA   5           HN       ALA   5   4.877   0.387  -1.485
   27    HA   ALA   5           HA       ALA   5   6.452   2.692  -1.711
   28    HB1  ALA   5           3HB      ALA   5   6.426   0.864  -3.366
   29    HB2  ALA   5           1HB      ALA   5   6.200   2.448  -4.108
   30    HB3  ALA   5           2HB      ALA   5   4.818   1.376  -3.879
   31    H    THR   6           HN       THR   6   3.057   2.198  -2.669
   32    HA   THR   6           HA       THR   6   2.648   4.996  -3.080
   33    HB   THR   6           HB       THR   6   0.832   2.589  -3.169
   34    HG1  THR   6           1HG      THR   6   1.098   2.722  -5.304
   35   HG21  THR   6          23HG      THR   6  -0.949   3.825  -3.861
   36   HG22  THR   6          21HG      THR   6   0.044   5.209  -4.314
   37   HG23  THR   6          22HG      THR   6  -0.264   4.865  -2.614
   38    H    GLY   7           HN       GLY   7   2.020   2.612  -0.609
   39    HA2  GLY   7           2HA      GLY   7   1.622   2.957   1.631
   40    HA3  GLY   7           1HA      GLY   7   1.467   4.675   1.316
   41    H    THR   8           HN       THR   8  -0.348   2.215  -0.365
   42    HA   THR   8           HA       THR   8  -2.764   3.051   0.963
   43    HB   THR   8           HB       THR   8  -2.753   1.989  -1.811
   44    HG1  THR   8           1HG      THR   8  -2.390   4.152  -2.557
   45   HG21  THR   8          23HG      THR   8  -4.668   3.035  -0.187
   46   HG22  THR   8          21HG      THR   8  -4.769   2.882  -1.940
   47   HG23  THR   8          22HG      THR   8  -4.235   4.398  -1.215
   48    H    PHE   9           HN       PHE   9  -3.872   0.939  -0.883
   49    HA   PHE   9           HA       PHE   9  -3.017  -1.466   0.452
   50    HB2  PHE   9           2HB      PHE   9  -5.663  -0.182   0.537
   51    HB3  PHE   9           1HB      PHE   9  -5.628  -1.933   0.462
   52    HD1  PHE   9           2HD      PHE   9  -4.657  -3.243   2.294
   53    HD2  PHE   9           1HD      PHE   9  -4.974   0.995   2.509
   54    HE1  PHE   9           2HE      PHE   9  -4.264  -3.341   4.721
   55    HE2  PHE   9           1HE      PHE   9  -4.583   0.905   4.937
   56    HZ   PHE   9           HZ       PHE   9  -4.227  -1.265   6.045
   57    H    GLY  10           HN       GLY  10  -3.253  -0.073  -2.257
   58    HA2  GLY  10           2HA      GLY  10  -3.103  -2.300  -3.906
   59    HA3  GLY  10           1HA      GLY  10  -4.780  -1.776  -3.940
  Start of MODEL   11
    1    H1   GLY   1           1HT      GLY   1  -3.008  -7.096  -0.500
    2    H2   GLY   1           2HT      GLY   1  -3.036  -6.865   1.175
    3    H3   GLY   1           3HT      GLY   1  -2.623  -8.375   0.537
    4    HA2  GLY   1           1HA      GLY   1  -0.611  -7.368   1.219
    5    HA3  GLY   1           2HA      GLY   1  -0.660  -7.331  -0.537
    6    H    TYR   2           HN       TYR   2  -0.441  -5.495   2.326
    7    HA   TYR   2           HA       TYR   2  -1.294  -2.977   1.454
    8    HB2  TYR   2           2HB      TYR   2  -0.838  -3.445   3.807
    9    HB3  TYR   2           1HB      TYR   2   0.870  -3.676   3.449
   10    HD1  TYR   2           2HD      TYR   2  -1.844  -1.189   3.618
   11    HD2  TYR   2           1HD      TYR   2   2.354  -1.795   3.240
   12    HE1  TYR   2           2HE      TYR   2  -1.466   1.209   4.004
   13    HE2  TYR   2           1HE      TYR   2   2.741   0.596   3.621
   14    HH   TYR   2           HH       TYR   2   0.806   2.580   4.991
   15    H    ASP   3           HN       ASP   3  -0.447  -1.521   0.130
   16    HA   ASP   3           HA       ASP   3   2.071  -2.091  -1.177
   17    HB2  ASP   3           2HB      ASP   3  -0.177  -1.301  -2.292
   18    HB3  ASP   3           1HB      ASP   3   0.391   0.299  -1.823
   19    HA   PRO   4           HA       PRO   4   3.788   0.798   1.852
   20    HB2  PRO   4           2HB      PRO   4   6.369  -0.199   0.891
   21    HB3  PRO   4           1HB      PRO   4   5.666  -0.253   2.513
   22    HG2  PRO   4           2HG      PRO   4   5.916  -2.480   1.086
   23    HG3  PRO   4           1HG      PRO   4   4.491  -2.170   2.099
   24    HD2  PRO   4           2HD      PRO   4   4.749  -1.748  -0.891
   25    HD3  PRO   4           1HD      PRO   4   3.490  -2.621   0.016
   26    H    ALA   5           HN       ALA   5   4.881   0.386  -1.471
   27    HA   ALA   5           HA       ALA   5   6.435   2.707  -1.694
   28    HB1  ALA   5           3HB      ALA   5   5.110   0.858  -3.587
   29    HB2  ALA   5           1HB      ALA   5   6.790   1.387  -3.504
   30    HB3  ALA   5           2HB      ALA   5   5.565   2.446  -4.207
   31    H    THR   6           HN       THR   6   3.050   2.169  -2.671
   32    HA   THR   6           HA       THR   6   2.609   4.955  -3.116
   33    HB   THR   6           HB       THR   6   0.827   2.520  -3.152
   34    HG1  THR   6           1HG      THR   6   0.909   2.857  -5.372
   35   HG21  THR   6          23HG      THR   6  -0.999   3.698  -3.738
   36   HG22  THR   6          21HG      THR   6  -0.066   5.045  -4.386
   37   HG23  THR   6          22HG      THR   6  -0.254   4.861  -2.645
   38    H    GLY   7           HN       GLY   7   2.029   2.619  -0.590
   39    HA2  GLY   7           2HA      GLY   7   1.631   2.997   1.642
   40    HA3  GLY   7           1HA      GLY   7   1.475   4.709   1.301
   41    H    THR   8           HN       THR   8  -0.343   2.229  -0.339
   42    HA   THR   8           HA       THR   8  -2.756   3.062   0.995
   43    HB   THR   8           HB       THR   8  -2.746   2.036  -1.795
   44    HG1  THR   8           1HG      THR   8  -2.092   4.707  -1.109
   45   HG21  THR   8          23HG      THR   8  -4.765   2.922  -1.913
   46   HG22  THR   8          21HG      THR   8  -4.241   4.428  -1.160
   47   HG23  THR   8          22HG      THR   8  -4.668   3.045  -0.158
   48    H    PHE   9           HN       PHE   9  -3.863   0.969  -0.878
   49    HA   PHE   9           HA       PHE   9  -3.003  -1.448   0.428
   50    HB2  PHE   9           2HB      PHE   9  -5.654  -0.175   0.526
   51    HB3  PHE   9           1HB      PHE   9  -5.612  -1.925   0.425
   52    HD1  PHE   9           2HD      PHE   9  -4.656  -3.259   2.242
   53    HD2  PHE   9           1HD      PHE   9  -4.962   0.977   2.514
   54    HE1  PHE   9           2HE      PHE   9  -4.271  -3.392   4.669
   55    HE2  PHE   9           1HE      PHE   9  -4.577   0.852   4.942
   56    HZ   PHE   9           HZ       PHE   9  -4.232  -1.334   6.021
   57    H    GLY  10           HN       GLY  10  -3.247  -0.018  -2.263
   58    HA2  GLY  10           2HA      GLY  10  -3.264  -2.347  -3.880
   59    HA3  GLY  10           1HA      GLY  10  -4.788  -1.486  -4.049
  Start of MODEL   12
    1    H1   GLY   1           1HT      GLY   1  -1.636  -7.660   2.250
    2    H2   GLY   1           2HT      GLY   1  -2.848  -8.064   1.143
    3    H3   GLY   1           3HT      GLY   1  -2.816  -6.522   1.838
    4    HA2  GLY   1           1HA      GLY   1  -0.409  -7.308   0.416
    5    HA3  GLY   1           2HA      GLY   1  -1.838  -7.069  -0.579
    6    H    TYR   2           HN       TYR   2  -0.582  -5.418   2.319
    7    HA   TYR   2           HA       TYR   2  -1.395  -2.863   1.504
    8    HB2  TYR   2           2HB      TYR   2  -0.893  -3.394   3.841
    9    HB3  TYR   2           1HB      TYR   2   0.803  -3.641   3.435
   10    HD1  TYR   2           2HD      TYR   2  -1.871  -1.119   3.721
   11    HD2  TYR   2           1HD      TYR   2   2.302  -1.780   3.218
   12    HE1  TYR   2           2HE      TYR   2  -1.447   1.269   4.134
   13    HE2  TYR   2           1HE      TYR   2   2.739   0.597   3.624
   14    HH   TYR   2           HH       TYR   2   0.334   2.945   3.582
   15    H    ASP   3           HN       ASP   3  -0.532  -1.408   0.188
   16    HA   ASP   3           HA       ASP   3   1.943  -2.032  -1.180
   17    HB2  ASP   3           2HB      ASP   3  -0.301  -1.181  -2.252
   18    HB3  ASP   3           1HB      ASP   3   0.308   0.402  -1.776
   19    HA   PRO   4           HA       PRO   4   3.783   0.799   1.834
   20    HB2  PRO   4           2HB      PRO   4   6.321  -0.265   0.835
   21    HB3  PRO   4           1HB      PRO   4   5.637  -0.310   2.466
   22    HG2  PRO   4           2HG      PRO   4   5.811  -2.533   1.018
   23    HG3  PRO   4           1HG      PRO   4   4.409  -2.193   2.050
   24    HD2  PRO   4           2HD      PRO   4   4.640  -1.751  -0.940
   25    HD3  PRO   4           1HD      PRO   4   3.371  -2.602  -0.024
   26    H    ALA   5           HN       ALA   5   4.807   0.371  -1.508
   27    HA   ALA   5           HA       ALA   5   6.444   2.632  -1.743
   28    HB1  ALA   5           3HB      ALA   5   5.887   2.462  -4.202
   29    HB2  ALA   5           1HB      ALA   5   4.817   1.125  -3.777
   30    HB3  ALA   5           2HB      ALA   5   6.548   1.007  -3.458
   31    H    THR   6           HN       THR   6   3.026   2.241  -2.671
   32    HA   THR   6           HA       THR   6   2.705   5.061  -3.034
   33    HB   THR   6           HB       THR   6   0.850   2.695  -3.232
   34    HG1  THR   6           1HG      THR   6   1.337   2.771  -5.269
   35   HG21  THR   6          23HG      THR   6   0.097   5.404  -4.200
   36   HG22  THR   6          21HG      THR   6  -0.263   4.905  -2.551
   37   HG23  THR   6          22HG      THR   6  -0.914   3.990  -3.909
   38    H    GLY   7           HN       GLY   7   2.054   2.656  -0.606
   39    HA2  GLY   7           2HA      GLY   7   1.657   2.988   1.640
   40    HA3  GLY   7           1HA      GLY   7   1.459   4.702   1.329
   41    H    THR   8           HN       THR   8  -0.281   2.205  -0.371
   42    HA   THR   8           HA       THR   8  -2.731   2.988   0.929
   43    HB   THR   8           HB       THR   8  -2.665   1.885  -1.826
   44    HG1  THR   8           1HG      THR   8  -2.071   4.589  -1.226
   45   HG21  THR   8          23HG      THR   8  -4.199   4.276  -1.246
   46   HG22  THR   8          21HG      THR   8  -4.630   2.884  -0.257
   47   HG23  THR   8          22HG      THR   8  -4.686   2.765  -2.015
   48    H    PHE   9           HN       PHE   9  -3.757   0.823  -0.907
   49    HA   PHE   9           HA       PHE   9  -2.874  -1.540   0.484
   50    HB2  PHE   9           2HB      PHE   9  -5.541  -0.312   0.504
   51    HB3  PHE   9           1HB      PHE   9  -5.486  -2.061   0.408
   52    HD1  PHE   9           1HD      PHE   9  -4.815   0.854   2.495
   53    HD2  PHE   9           2HD      PHE   9  -4.653  -3.392   2.261
   54    HE1  PHE   9           1HE      PHE   9  -4.490   0.737   4.931
   55    HE2  PHE   9           2HE      PHE   9  -4.328  -3.518   4.696
   56    HZ   PHE   9           HZ       PHE   9  -4.245  -1.452   6.035
   57    H    GLY  10           HN       GLY  10  -3.079  -0.189  -2.250
   58    HA2  GLY  10           2HA      GLY  10  -4.326  -2.298  -3.829
   59    HA3  GLY  10           1HA      GLY  10  -3.694  -0.781  -4.450
  Start of MODEL   13
    1    H1   GLY   1           1HT      GLY   1  -2.885  -6.721  -1.176
    2    H2   GLY   1           2HT      GLY   1  -3.956  -6.734   0.134
    3    H3   GLY   1           3HT      GLY   1  -3.107  -8.138  -0.276
    4    HA2  GLY   1           1HA      GLY   1  -2.210  -6.952   1.703
    5    HA3  GLY   1           2HA      GLY   1  -1.050  -7.241   0.416
    6    H    TYR   2           HN       TYR   2  -0.582  -5.299   2.304
    7    HA   TYR   2           HA       TYR   2  -1.454  -2.729   1.500
    8    HB2  TYR   2           2HB      TYR   2  -0.576  -3.389   3.785
    9    HB3  TYR   2           1HB      TYR   2   1.039  -3.334   3.078
   10    HD1  TYR   2           2HD      TYR   2  -1.876  -1.356   4.069
   11    HD2  TYR   2           1HD      TYR   2   2.071  -1.209   2.503
   12    HE1  TYR   2           2HE      TYR   2  -1.794   1.066   4.505
   13    HE2  TYR   2           1HE      TYR   2   2.174   1.194   2.936
   14    HH   TYR   2           HH       TYR   2  -0.097   2.817   4.867
   15    H    ASP   3           HN       ASP   3  -0.158  -1.065   0.606
   16    HA   ASP   3           HA       ASP   3   1.972  -2.006  -1.155
   17    HB2  ASP   3           2HB      ASP   3  -0.284  -1.282  -2.198
   18    HB3  ASP   3           1HB      ASP   3   0.229   0.353  -1.795
   19    HA   PRO   4           HA       PRO   4   3.802   0.986   1.906
   20    HB2  PRO   4           2HB      PRO   4   6.160  -0.461   0.815
   21    HB3  PRO   4           1HB      PRO   4   5.793   0.008   2.478
   22    HG2  PRO   4           2HG      PRO   4   5.535  -2.504   1.725
   23    HG3  PRO   4           1HG      PRO   4   4.341  -1.743   2.793
   24    HD2  PRO   4           2HD      PRO   4   4.113  -2.340  -0.157
   25    HD3  PRO   4           1HD      PRO   4   2.874  -2.439   1.119
   26    H    ALA   5           HN       ALA   5   4.510   0.237  -1.440
   27    HA   ALA   5           HA       ALA   5   6.349   2.261  -2.008
   28    HB1  ALA   5           3HB      ALA   5   6.209   0.750  -3.717
   29    HB2  ALA   5           1HB      ALA   5   5.211   2.046  -4.375
   30    HB3  ALA   5           2HB      ALA   5   4.450   0.642  -3.626
   31    H    THR   6           HN       THR   6   2.824   2.270  -2.524
   32    HA   THR   6           HA       THR   6   2.885   5.139  -2.878
   33    HB   THR   6           HB       THR   6   0.852   2.989  -3.389
   34    HG1  THR   6           1HG      THR   6   2.218   3.319  -5.075
   35   HG21  THR   6          23HG      THR   6   0.284   5.902  -3.795
   36   HG22  THR   6          21HG      THR   6  -0.286   4.989  -2.402
   37   HG23  THR   6          22HG      THR   6  -0.798   4.530  -4.022
   38    H    GLY   7           HN       GLY   7   2.018   2.741  -0.556
   39    HA2  GLY   7           2HA      GLY   7   1.632   3.092   1.696
   40    HA3  GLY   7           1HA      GLY   7   1.375   4.795   1.370
   41    H    THR   8           HN       THR   8  -0.241   2.226  -0.342
   42    HA   THR   8           HA       THR   8  -2.744   2.923   0.905
   43    HB   THR   8           HB       THR   8  -2.592   1.791  -1.834
   44    HG1  THR   8           1HG      THR   8  -2.252   3.883  -2.672
   45   HG21  THR   8          23HG      THR   8  -4.197   4.144  -1.385
   46   HG22  THR   8          21HG      THR   8  -4.594   2.824  -0.291
   47   HG23  THR   8          22HG      THR   8  -4.647   2.569  -2.033
   48    H    PHE   9           HN       PHE   9  -3.655   0.705  -0.922
   49    HA   PHE   9           HA       PHE   9  -2.723  -1.600   0.534
   50    HB2  PHE   9           2HB      PHE   9  -5.456  -0.517   0.352
   51    HB3  PHE   9           1HB      PHE   9  -5.272  -2.259   0.396
   52    HD1  PHE   9           2HD      PHE   9  -4.166  -3.331   2.359
   53    HD2  PHE   9           1HD      PHE   9  -5.202   0.796   2.301
   54    HE1  PHE   9           2HE      PHE   9  -3.953  -3.248   4.809
   55    HE2  PHE   9           1HE      PHE   9  -4.994   0.887   4.752
   56    HZ   PHE   9           HZ       PHE   9  -4.369  -1.138   6.008
   57    H    GLY  10           HN       GLY  10  -2.829  -0.312  -2.229
   58    HA2  GLY  10           2HA      GLY  10  -2.566  -2.689  -3.735
   59    HA3  GLY  10           1HA      GLY  10  -4.144  -1.977  -4.039
  Start of MODEL   14
    1    H1   GLY   1           1HT      GLY   1  -2.584  -7.979  -0.331
    2    H2   GLY   1           2HT      GLY   1  -1.158  -7.617  -1.165
    3    H3   GLY   1           3HT      GLY   1  -2.389  -6.463  -1.054
    4    HA2  GLY   1           1HA      GLY   1  -1.954  -6.936   1.534
    5    HA3  GLY   1           2HA      GLY   1  -0.348  -7.196   0.872
    6    H    TYR   2           HN       TYR   2  -0.569  -5.193   2.602
    7    HA   TYR   2           HA       TYR   2  -1.350  -2.689   1.639
    8    HB2  TYR   2           2HB      TYR   2  -0.864  -3.029   3.992
    9    HB3  TYR   2           1HB      TYR   2   0.817  -3.407   3.626
   10    HD1  TYR   2           1HD      TYR   2  -1.701  -0.718   3.689
   11    HD2  TYR   2           2HD      TYR   2   2.436  -1.655   3.298
   12    HE1  TYR   2           1HE      TYR   2  -1.140   1.663   3.948
   13    HE2  TYR   2           2HE      TYR   2   3.002   0.718   3.556
   14    HH   TYR   2           HH       TYR   2   0.609   3.205   3.491
   15    H    ASP   3           HN       ASP   3  -0.506  -1.347   0.201
   16    HA   ASP   3           HA       ASP   3   1.956  -2.045  -1.138
   17    HB2  ASP   3           2HB      ASP   3  -0.267  -1.180  -2.226
   18    HB3  ASP   3           1HB      ASP   3   0.356   0.406  -1.778
   19    HA   PRO   4           HA       PRO   4   3.898   0.785   1.807
   20    HB2  PRO   4           2HB      PRO   4   6.394  -0.306   0.715
   21    HB3  PRO   4           1HB      PRO   4   5.785  -0.309   2.376
   22    HG2  PRO   4           2HG      PRO   4   5.868  -2.567   0.980
   23    HG3  PRO   4           1HG      PRO   4   4.508  -2.185   2.057
   24    HD2  PRO   4           2HD      PRO   4   4.633  -1.831  -0.951
   25    HD3  PRO   4           1HD      PRO   4   3.382  -2.623   0.039
   26    H    ALA   5           HN       ALA   5   4.807   0.359  -1.567
   27    HA   ALA   5           HA       ALA   5   6.426   2.628  -1.856
   28    HB1  ALA   5           3HB      ALA   5   4.879   0.904  -3.725
   29    HB2  ALA   5           1HB      ALA   5   6.611   1.231  -3.659
   30    HB3  ALA   5           2HB      ALA   5   5.510   2.440  -4.319
   31    H    THR   6           HN       THR   6   2.973   2.214  -2.638
   32    HA   THR   6           HA       THR   6   2.627   5.044  -2.967
   33    HB   THR   6           HB       THR   6   0.822   2.647  -3.218
   34    HG1  THR   6           1HG      THR   6   1.112   2.931  -5.304
   35   HG21  THR   6          23HG      THR   6  -1.031   3.857  -3.617
   36   HG22  THR   6          21HG      THR   6  -0.132   5.278  -4.149
   37   HG23  THR   6          22HG      THR   6  -0.270   4.914  -2.430
   38    H    GLY   7           HN       GLY   7   2.049   2.585  -0.576
   39    HA2  GLY   7           2HA      GLY   7   1.674   2.851   1.676
   40    HA3  GLY   7           1HA      GLY   7   1.490   4.576   1.420
   41    H    THR   8           HN       THR   8  -0.314   2.157  -0.323
   42    HA   THR   8           HA       THR   8  -2.714   2.853   1.106
   43    HB   THR   8           HB       THR   8  -2.741   2.095  -1.767
   44    HG1  THR   8           1HG      THR   8  -2.124   4.707  -0.856
   45   HG21  THR   8          23HG      THR   8  -4.604   3.040   0.051
   46   HG22  THR   8          21HG      THR   8  -4.803   2.851  -1.690
   47   HG23  THR   8          22HG      THR   8  -4.263   4.393  -1.025
   48    H    PHE   9           HN       PHE   9  -3.837   0.943  -0.936
   49    HA   PHE   9           HA       PHE   9  -2.974  -1.579   0.186
   50    HB2  PHE   9           2HB      PHE   9  -5.594  -0.318   0.339
   51    HB3  PHE   9           1HB      PHE   9  -5.644  -2.000  -0.163
   52    HD1  PHE   9           1HD      PHE   9  -3.730  -0.039   2.383
   53    HD2  PHE   9           2HD      PHE   9  -6.138  -3.445   1.538
   54    HE1  PHE   9           1HE      PHE   9  -3.524  -0.761   4.726
   55    HE2  PHE   9           2HE      PHE   9  -5.940  -4.171   3.881
   56    HZ   PHE   9           HZ       PHE   9  -4.631  -2.828   5.477
   57    H    GLY  10           HN       GLY  10  -3.128   0.096  -2.386
   58    HA2  GLY  10           2HA      GLY  10  -2.858  -2.045  -4.207
   59    HA3  GLY  10           1HA      GLY  10  -4.460  -1.342  -4.376
  Start of MODEL   15
    1    H1   GLY   1           1HT      GLY   1  -3.068  -7.387  -0.600
    2    H2   GLY   1           2HT      GLY   1  -3.267  -6.453   0.795
    3    H3   GLY   1           3HT      GLY   1  -2.833  -8.082   0.926
    4    HA2  GLY   1           1HA      GLY   1  -0.763  -7.287   1.152
    5    HA3  GLY   1           2HA      GLY   1  -0.842  -7.219  -0.602
    6    H    TYR   2           HN       TYR   2  -0.549  -5.433   2.289
    7    HA   TYR   2           HA       TYR   2  -1.362  -2.887   1.465
    8    HB2  TYR   2           2HB      TYR   2  -0.883  -3.413   3.806
    9    HB3  TYR   2           1HB      TYR   2   0.819  -3.651   3.419
   10    HD1  TYR   2           2HD      TYR   2  -1.871  -1.143   3.673
   11    HD2  TYR   2           1HD      TYR   2   2.313  -1.783   3.225
   12    HE1  TYR   2           2HE      TYR   2  -1.464   1.245   4.097
   13    HE2  TYR   2           1HE      TYR   2   2.731   0.595   3.644
   14    HH   TYR   2           HH       TYR   2   0.404   2.929   3.493
   15    H    ASP   3           HN       ASP   3  -0.500  -1.429   0.151
   16    HA   ASP   3           HA       ASP   3   1.994  -2.033  -1.190
   17    HB2  ASP   3           2HB      ASP   3  -0.253  -1.197  -2.275
   18    HB3  ASP   3           1HB      ASP   3   0.350   0.389  -1.805
   19    HA   PRO   4           HA       PRO   4   3.788   0.816   1.834
   20    HB2  PRO   4           2HB      PRO   4   6.340  -0.238   0.863
   21    HB3  PRO   4           1HB      PRO   4   5.640  -0.285   2.488
   22    HG2  PRO   4           2HG      PRO   4   5.840  -2.509   1.046
   23    HG3  PRO   4           1HG      PRO   4   4.428  -2.174   2.066
   24    HD2  PRO   4           2HD      PRO   4   4.682  -1.739  -0.923
   25    HD3  PRO   4           1HD      PRO   4   3.410  -2.593  -0.016
   26    H    ALA   5           HN       ALA   5   4.842   0.380  -1.497
   27    HA   ALA   5           HA       ALA   5   6.475   2.638  -1.738
   28    HB1  ALA   5           3HB      ALA   5   6.131   0.686  -3.375
   29    HB2  ALA   5           1HB      ALA   5   6.412   2.293  -4.044
   30    HB3  ALA   5           2HB      ALA   5   4.778   1.632  -3.996
   31    H    THR   6           HN       THR   6   3.055   2.252  -2.658
   32    HA   THR   6           HA       THR   6   2.742   5.080  -3.005
   33    HB   THR   6           HB       THR   6   0.882   2.720  -3.252
   34    HG1  THR   6           1HG      THR   6   1.368   2.826  -5.294
   35   HG21  THR   6          23HG      THR   6  -0.859   4.041  -3.963
   36   HG22  THR   6          21HG      THR   6   0.170   5.452  -4.196
   37   HG23  THR   6          22HG      THR   6  -0.238   4.918  -2.567
   38    H    GLY   7           HN       GLY   7   2.043   2.636  -0.625
   39    HA2  GLY   7           2HA      GLY   7   1.616   2.930   1.618
   40    HA3  GLY   7           1HA      GLY   7   1.447   4.652   1.338
   41    H    THR   8           HN       THR   8  -0.311   2.176  -0.400
   42    HA   THR   8           HA       THR   8  -2.767   3.031   0.840
   43    HB   THR   8           HB       THR   8  -2.690   1.795  -1.856
   44    HG1  THR   8           1HG      THR   8  -1.961   4.489  -1.361
   45   HG21  THR   8          23HG      THR   8  -4.226   4.008  -2.007
   46   HG22  THR   8          21HG      THR   8  -4.426   3.548  -0.319
   47   HG23  THR   8          22HG      THR   8  -4.811   2.396  -1.596
   48    H    PHE   9           HN       PHE   9  -3.813   0.807  -0.899
   49    HA   PHE   9           HA       PHE   9  -2.969  -1.513   0.581
   50    HB2  PHE   9           2HB      PHE   9  -5.625  -0.245   0.554
   51    HB3  PHE   9           1HB      PHE   9  -5.572  -1.996   0.588
   52    HD1  PHE   9           1HD      PHE   9  -4.584  -3.179   2.505
   53    HD2  PHE   9           2HD      PHE   9  -5.004   1.055   2.461
   54    HE1  PHE   9           1HE      PHE   9  -4.218  -3.122   4.936
   55    HE2  PHE   9           2HE      PHE   9  -4.641   1.120   4.894
   56    HZ   PHE   9           HZ       PHE   9  -4.247  -0.971   6.136
   57    H    GLY  10           HN       GLY  10  -3.166  -0.274  -2.201
   58    HA2  GLY  10           2HA      GLY  10  -2.658  -1.808  -4.087
   59    HA3  GLY  10           1HA      GLY  10  -4.066  -2.726  -3.578
  Start of MODEL   16
    1    H1   GLY   1           1HT      GLY   1   0.726  -7.095  -0.094
    2    H2   GLY   1           2HT      GLY   1  -0.148  -8.541  -0.034
    3    H3   GLY   1           3HT      GLY   1   0.203  -7.706   1.394
    4    HA2  GLY   1           1HA      GLY   1  -1.774  -7.081  -0.690
    5    HA3  GLY   1           2HA      GLY   1  -1.985  -7.127   1.053
    6    H    TYR   2           HN       TYR   2  -0.569  -5.459   2.243
    7    HA   TYR   2           HA       TYR   2  -1.376  -2.898   1.449
    8    HB2  TYR   2           2HB      TYR   2  -0.893  -3.460   3.785
    9    HB3  TYR   2           1HB      TYR   2   0.809  -3.685   3.389
   10    HD1  TYR   2           1HD      TYR   2  -1.892  -1.191   3.679
   11    HD2  TYR   2           2HD      TYR   2   2.292  -1.810   3.217
   12    HE1  TYR   2           1HE      TYR   2  -1.493   1.192   4.132
   13    HE2  TYR   2           2HE      TYR   2   2.704   0.564   3.666
   14    HH   TYR   2           HH       TYR   2   1.553   2.678   3.601
   15    H    ASP   3           HN       ASP   3  -0.509  -1.433   0.149
   16    HA   ASP   3           HA       ASP   3   1.986  -2.033  -1.194
   17    HB2  ASP   3           2HB      ASP   3  -0.259  -1.193  -2.283
   18    HB3  ASP   3           1HB      ASP   3   0.343   0.391  -1.803
   19    HA   PRO   4           HA       PRO   4   3.766   0.807   1.843
   20    HB2  PRO   4           2HB      PRO   4   6.325  -0.238   0.881
   21    HB3  PRO   4           1HB      PRO   4   5.617  -0.294   2.501
   22    HG2  PRO   4           2HG      PRO   4   5.830  -2.510   1.048
   23    HG3  PRO   4           1HG      PRO   4   4.413  -2.185   2.066
   24    HD2  PRO   4           2HD      PRO   4   4.675  -1.734  -0.921
   25    HD3  PRO   4           1HD      PRO   4   3.402  -2.596  -0.022
   26    H    ALA   5           HN       ALA   5   4.837   0.382  -1.484
   27    HA   ALA   5           HA       ALA   5   6.458   2.656  -1.703
   28    HB1  ALA   5           3HB      ALA   5   5.083   0.844  -3.589
   29    HB2  ALA   5           1HB      ALA   5   6.769   1.362  -3.533
   30    HB3  ALA   5           2HB      ALA   5   5.541   2.428  -4.213
   31    H    THR   6           HN       THR   6   3.059   2.234  -2.677
   32    HA   THR   6           HA       THR   6   2.712   5.048  -3.055
   33    HB   THR   6           HB       THR   6   0.864   2.672  -3.231
   34    HG1  THR   6           1HG      THR   6   1.384   2.699  -5.260
   35   HG21  THR   6          23HG      THR   6  -0.273   4.858  -2.598
   36   HG22  THR   6          21HG      THR   6  -0.875   3.973  -3.996
   37   HG23  THR   6          22HG      THR   6   0.151   5.389  -4.223
   38    H    GLY   7           HN       GLY   7   2.050   2.646  -0.621
   39    HA2  GLY   7           2HA      GLY   7   1.637   2.979   1.618
   40    HA3  GLY   7           1HA      GLY   7   1.456   4.696   1.308
   41    H    THR   8           HN       THR   8  -0.302   2.197  -0.385
   42    HA   THR   8           HA       THR   8  -2.750   3.027   0.891
   43    HB   THR   8           HB       THR   8  -2.690   1.840  -1.830
   44    HG1  THR   8           1HG      THR   8  -2.333   3.965  -2.675
   45   HG21  THR   8          23HG      THR   8  -4.196   4.264  -1.367
   46   HG22  THR   8          21HG      THR   8  -4.633   2.949  -0.280
   47   HG23  THR   8          22HG      THR   8  -4.710   2.710  -2.025
   48    H    PHE   9           HN       PHE   9  -3.792   0.819  -0.877
   49    HA   PHE   9           HA       PHE   9  -2.927  -1.507   0.587
   50    HB2  PHE   9           2HB      PHE   9  -5.597  -0.272   0.534
   51    HB3  PHE   9           1HB      PHE   9  -5.527  -2.023   0.546
   52    HD1  PHE   9           1HD      PHE   9  -4.560  -3.222   2.462
   53    HD2  PHE   9           2HD      PHE   9  -5.014   1.009   2.468
   54    HE1  PHE   9           1HE      PHE   9  -4.233  -3.194   4.901
   55    HE2  PHE   9           2HE      PHE   9  -4.690   1.045   4.908
   56    HZ   PHE   9           HZ       PHE   9  -4.298  -1.059   6.126
   57    H    GLY  10           HN       GLY  10  -3.099  -0.249  -2.188
   58    HA2  GLY  10           2HA      GLY  10  -3.270  -2.752  -3.613
   59    HA3  GLY  10           1HA      GLY  10  -4.549  -1.618  -4.022
  Start of MODEL   17
    1    H1   GLY   1           1HT      GLY   1  -0.614  -6.686  -1.073
    2    H2   GLY   1           2HT      GLY   1  -2.253  -7.094  -1.157
    3    H3   GLY   1           3HT      GLY   1  -1.152  -8.162  -0.443
    4    HA2  GLY   1           1HA      GLY   1  -2.650  -6.670   1.041
    5    HA3  GLY   1           2HA      GLY   1  -0.975  -6.973   1.479
    6    H    TYR   2           HN       TYR   2  -0.770  -5.054   2.631
    7    HA   TYR   2           HA       TYR   2  -1.495  -2.512   1.724
    8    HB2  TYR   2           2HB      TYR   2  -0.950  -2.907   4.058
    9    HB3  TYR   2           1HB      TYR   2   0.709  -3.320   3.631
   10    HD1  TYR   2           1HD      TYR   2  -1.737  -0.579   3.831
   11    HD2  TYR   2           2HD      TYR   2   2.353  -1.601   3.250
   12    HE1  TYR   2           1HE      TYR   2  -1.116   1.784   4.087
   13    HE2  TYR   2           2HE      TYR   2   2.985   0.754   3.506
   14    HH   TYR   2           HH       TYR   2   0.671   3.292   3.525
   15    H    ASP   3           HN       ASP   3  -0.639  -1.170   0.290
   16    HA   ASP   3           HA       ASP   3   1.748  -1.947  -1.142
   17    HB2  ASP   3           2HB      ASP   3  -0.486  -0.974  -2.130
   18    HB3  ASP   3           1HB      ASP   3   0.238   0.576  -1.708
   19    HA   PRO   4           HA       PRO   4   3.899   0.788   1.754
   20    HB2  PRO   4           2HB      PRO   4   6.308  -0.419   0.598
   21    HB3  PRO   4           1HB      PRO   4   5.740  -0.404   2.274
   22    HG2  PRO   4           2HG      PRO   4   5.682  -2.654   0.870
   23    HG3  PRO   4           1HG      PRO   4   4.364  -2.211   1.973
   24    HD2  PRO   4           2HD      PRO   4   4.451  -1.835  -1.035
   25    HD3  PRO   4           1HD      PRO   4   3.186  -2.588  -0.032
   26    H    ALA   5           HN       ALA   5   4.678   0.331  -1.645
   27    HA   ALA   5           HA       ALA   5   6.447   2.460  -2.000
   28    HB1  ALA   5           3HB      ALA   5   5.846   2.342  -4.375
   29    HB2  ALA   5           1HB      ALA   5   4.472   1.313  -3.972
   30    HB3  ALA   5           2HB      ALA   5   6.116   0.740  -3.689
   31    H    THR   6           HN       THR   6   2.936   2.377  -2.575
   32    HA   THR   6           HA       THR   6   2.880   5.260  -2.727
   33    HB   THR   6           HB       THR   6   0.911   3.076  -3.351
   34    HG1  THR   6           1HG      THR   6   1.463   3.515  -5.317
   35   HG21  THR   6          23HG      THR   6  -0.244   5.036  -2.269
   36   HG22  THR   6          21HG      THR   6  -0.783   4.588  -3.885
   37   HG23  THR   6          22HG      THR   6   0.274   5.983  -3.662
   38    H    GLY   7           HN       GLY   7   2.077   2.659  -0.597
   39    HA2  GLY   7           2HA      GLY   7   1.666   2.798   1.673
   40    HA3  GLY   7           1HA      GLY   7   1.429   4.526   1.503
   41    H    THR   8           HN       THR   8  -0.213   2.100  -0.407
   42    HA   THR   8           HA       THR   8  -2.713   2.781   0.852
   43    HB   THR   8           HB       THR   8  -2.572   1.718  -1.911
   44    HG1  THR   8           1HG      THR   8  -1.961   4.414  -1.301
   45   HG21  THR   8          23HG      THR   8  -4.153   3.896  -1.963
   46   HG22  THR   8          21HG      THR   8  -4.354   3.359  -0.298
   47   HG23  THR   8          22HG      THR   8  -4.709   2.257  -1.628
   48    H    PHE   9           HN       PHE   9  -3.668   0.652  -1.032
   49    HA   PHE   9           HA       PHE   9  -2.811  -1.725   0.376
   50    HB2  PHE   9           2HB      PHE   9  -5.454  -0.517   0.296
   51    HB3  PHE   9           1HB      PHE   9  -5.458  -2.236  -0.064
   52    HD1  PHE   9           1HD      PHE   9  -3.667  -0.051   2.393
   53    HD2  PHE   9           2HD      PHE   9  -6.036  -3.526   1.728
   54    HE1  PHE   9           1HE      PHE   9  -3.566  -0.577   4.793
   55    HE2  PHE   9           2HE      PHE   9  -5.940  -4.054   4.129
   56    HZ   PHE   9           HZ       PHE   9  -4.704  -2.579   5.665
   57    H    GLY  10           HN       GLY  10  -2.885  -0.315  -2.356
   58    HA2  GLY  10           2HA      GLY  10  -2.050  -1.799  -4.221
   59    HA3  GLY  10           1HA      GLY  10  -3.528  -2.711  -3.957
  Start of MODEL   18
    1    H1   GLY   1           1HT      GLY   1  -3.356  -6.662  -0.334
    2    H2   GLY   1           2HT      GLY   1  -3.332  -6.694   1.357
    3    H3   GLY   1           3HT      GLY   1  -2.998  -8.101   0.479
    4    HA2  GLY   1           1HA      GLY   1  -0.958  -7.158   1.346
    5    HA3  GLY   1           2HA      GLY   1  -0.985  -7.124  -0.411
    6    H    TYR   2           HN       TYR   2  -0.619  -5.304   2.417
    7    HA   TYR   2           HA       TYR   2  -1.415  -2.752   1.582
    8    HB2  TYR   2           2HB      TYR   2  -0.901  -3.246   3.916
    9    HB3  TYR   2           1HB      TYR   2   0.785  -3.544   3.502
   10    HD1  TYR   2           1HD      TYR   2  -1.818  -0.947   3.762
   11    HD2  TYR   2           2HD      TYR   2   2.335  -1.729   3.248
   12    HE1  TYR   2           1HE      TYR   2  -1.327   1.434   4.134
   13    HE2  TYR   2           2HE      TYR   2   2.836   0.643   3.617
   14    HH   TYR   2           HH       TYR   2   1.868   2.598   4.623
   15    H    ASP   3           HN       ASP   3  -0.558  -1.330   0.226
   16    HA   ASP   3           HA       ASP   3   1.890  -1.994  -1.163
   17    HB2  ASP   3           2HB      ASP   3  -0.357  -1.110  -2.202
   18    HB3  ASP   3           1HB      ASP   3   0.288   0.465  -1.747
   19    HA   PRO   4           HA       PRO   4   3.835   0.806   1.811
   20    HB2  PRO   4           2HB      PRO   4   6.332  -0.307   0.762
   21    HB3  PRO   4           1HB      PRO   4   5.682  -0.334   2.408
   22    HG2  PRO   4           2HG      PRO   4   5.780  -2.565   0.965
   23    HG3  PRO   4           1HG      PRO   4   4.408  -2.193   2.026
   24    HD2  PRO   4           2HD      PRO   4   4.584  -1.772  -0.970
   25    HD3  PRO   4           1HD      PRO   4   3.317  -2.589  -0.021
   26    H    ALA   5           HN       ALA   5   4.777   0.364  -1.553
   27    HA   ALA   5           HA       ALA   5   6.457   2.584  -1.831
   28    HB1  ALA   5           3HB      ALA   5   5.611   2.448  -4.292
   29    HB2  ALA   5           1HB      ALA   5   4.815   0.975  -3.739
   30    HB3  ALA   5           2HB      ALA   5   6.567   1.129  -3.619
   31    H    THR   6           HN       THR   6   3.008   2.288  -2.663
   32    HA   THR   6           HA       THR   6   2.756   5.134  -2.933
   33    HB   THR   6           HB       THR   6   0.863   2.813  -3.270
   34    HG1  THR   6           1HG      THR   6   1.056   3.295  -5.407
   35   HG21  THR   6          23HG      THR   6  -0.880   4.176  -3.898
   36   HG22  THR   6          21HG      THR   6   0.151   5.598  -4.049
   37   HG23  THR   6          22HG      THR   6  -0.249   4.963  -2.455
   38    H    GLY   7           HN       GLY   7   2.052   2.632  -0.621
   39    HA2  GLY   7           2HA      GLY   7   1.658   2.879   1.636
   40    HA3  GLY   7           1HA      GLY   7   1.462   4.604   1.393
   41    H    THR   8           HN       THR   8  -0.276   2.163  -0.398
   42    HA   THR   8           HA       THR   8  -2.730   2.924   0.908
   43    HB   THR   8           HB       THR   8  -2.665   1.839  -1.855
   44    HG1  THR   8           1HG      THR   8  -2.010   4.524  -1.225
   45   HG21  THR   8          23HG      THR   8  -4.616   2.875  -0.278
   46   HG22  THR   8          21HG      THR   8  -4.680   2.734  -2.032
   47   HG23  THR   8          22HG      THR   8  -4.168   4.249  -1.287
   48    H    PHE   9           HN       PHE   9  -3.753   0.779  -0.950
   49    HA   PHE   9           HA       PHE   9  -2.862  -1.607   0.395
   50    HB2  PHE   9           2HB      PHE   9  -5.511  -0.354   0.520
   51    HB3  PHE   9           1HB      PHE   9  -5.489  -2.101   0.367
   52    HD1  PHE   9           2HD      PHE   9  -4.566   0.734   2.509
   53    HD2  PHE   9           1HD      PHE   9  -4.772  -3.504   2.173
   54    HE1  PHE   9           2HE      PHE   9  -4.175   0.527   4.929
   55    HE2  PHE   9           1HE      PHE   9  -4.380  -3.718   4.592
   56    HZ   PHE   9           HZ       PHE   9  -4.082  -1.702   5.974
   57    H    GLY  10           HN       GLY  10  -3.129  -0.212  -2.309
   58    HA2  GLY  10           2HA      GLY  10  -4.493  -2.205  -3.913
   59    HA3  GLY  10           1HA      GLY  10  -3.697  -0.758  -4.514
  Start of MODEL   19
    1    H1   GLY   1           1HT      GLY   1   0.469  -7.462  -0.012
    2    H2   GLY   1           2HT      GLY   1  -0.592  -8.523   0.770
    3    H3   GLY   1           3HT      GLY   1   0.006  -7.171   1.589
    4    HA2  GLY   1           1HA      GLY   1  -1.674  -6.981  -0.844
    5    HA3  GLY   1           2HA      GLY   1  -2.341  -6.969   0.782
    6    H    TYR   2           HN       TYR   2  -0.691  -5.398   2.197
    7    HA   TYR   2           HA       TYR   2  -1.439  -2.806   1.453
    8    HB2  TYR   2           2HB      TYR   2  -0.939  -3.432   3.775
    9    HB3  TYR   2           1HB      TYR   2   0.755  -3.667   3.352
   10    HD1  TYR   2           2HD      TYR   2  -1.913  -1.151   3.731
   11    HD2  TYR   2           1HD      TYR   2   2.257  -1.805   3.201
   12    HE1  TYR   2           2HE      TYR   2  -1.481   1.218   4.236
   13    HE2  TYR   2           1HE      TYR   2   2.702   0.552   3.698
   14    HH   TYR   2           HH       TYR   2   0.774   2.875   3.481
   15    H    ASP   3           HN       ASP   3  -0.552  -1.340   0.168
   16    HA   ASP   3           HA       ASP   3   1.918  -1.978  -1.204
   17    HB2  ASP   3           2HB      ASP   3  -0.326  -1.101  -2.266
   18    HB3  ASP   3           1HB      ASP   3   0.311   0.471  -1.795
   19    HA   PRO   4           HA       PRO   4   3.776   0.819   1.827
   20    HB2  PRO   4           2HB      PRO   4   6.305  -0.275   0.852
   21    HB3  PRO   4           1HB      PRO   4   5.600  -0.327   2.474
   22    HG2  PRO   4           2HG      PRO   4   5.766  -2.537   1.001
   23    HG3  PRO   4           1HG      PRO   4   4.361  -2.192   2.030
   24    HD2  PRO   4           2HD      PRO   4   4.615  -1.724  -0.954
   25    HD3  PRO   4           1HD      PRO   4   3.331  -2.569  -0.053
   26    H    ALA   5           HN       ALA   5   4.809   0.376  -1.507
   27    HA   ALA   5           HA       ALA   5   6.492   2.597  -1.744
   28    HB1  ALA   5           3HB      ALA   5   6.528   2.167  -3.993
   29    HB2  ALA   5           1HB      ALA   5   4.808   1.781  -4.059
   30    HB3  ALA   5           2HB      ALA   5   5.947   0.614  -3.388
   31    H    THR   6           HN       THR   6   3.061   2.295  -2.653
   32    HA   THR   6           HA       THR   6   2.825   5.141  -2.951
   33    HB   THR   6           HB       THR   6   0.942   2.823  -3.336
   34    HG1  THR   6           1HG      THR   6   1.944   4.728  -5.176
   35   HG21  THR   6          23HG      THR   6  -0.260   4.875  -2.536
   36   HG22  THR   6          21HG      THR   6  -0.757   4.233  -4.099
   37   HG23  THR   6          22HG      THR   6   0.280   5.657  -4.020
   38    H    GLY   7           HN       GLY   7   2.071   2.662  -0.636
   39    HA2  GLY   7           2HA      GLY   7   1.616   2.932   1.609
   40    HA3  GLY   7           1HA      GLY   7   1.419   4.653   1.339
   41    H    THR   8           HN       THR   8  -0.272   2.146  -0.429
   42    HA   THR   8           HA       THR   8  -2.762   2.993   0.745
   43    HB   THR   8           HB       THR   8  -2.622   1.621  -1.881
   44    HG1  THR   8           1HG      THR   8  -2.202   3.661  -2.876
   45   HG21  THR   8          23HG      THR   8  -4.107   4.089  -1.661
   46   HG22  THR   8          21HG      THR   8  -4.593   2.878  -0.477
   47   HG23  THR   8          22HG      THR   8  -4.627   2.491  -2.196
   48    H    PHE   9           HN       PHE   9  -3.736   0.666  -0.896
   49    HA   PHE   9           HA       PHE   9  -2.892  -1.555   0.732
   50    HB2  PHE   9           2HB      PHE   9  -5.574  -0.351   0.540
   51    HB3  PHE   9           1HB      PHE   9  -5.475  -2.093   0.707
   52    HD1  PHE   9           2HD      PHE   9  -4.421  -3.085   2.723
   53    HD2  PHE   9           1HD      PHE   9  -5.137   1.093   2.370
   54    HE1  PHE   9           2HE      PHE   9  -4.130  -2.837   5.152
   55    HE2  PHE   9           1HE      PHE   9  -4.846   1.352   4.801
   56    HZ   PHE   9           HZ       PHE   9  -4.343  -0.615   6.195
   57    H    GLY  10           HN       GLY  10  -3.011  -0.487  -2.120
   58    HA2  GLY  10           2HA      GLY  10  -4.024  -2.933  -3.418
   59    HA3  GLY  10           1HA      GLY  10  -3.901  -1.368  -4.209
  Start of MODEL   20
    1    H1   GLY   1           1HT      GLY   1  -3.377  -6.502   0.644
    2    H2   GLY   1           2HT      GLY   1  -2.631  -7.343   1.909
    3    H3   GLY   1           3HT      GLY   1  -2.957  -8.130   0.448
    4    HA2  GLY   1           1HA      GLY   1  -0.568  -7.297   0.954
    5    HA3  GLY   1           2HA      GLY   1  -1.237  -7.154  -0.664
    6    H    TYR   2           HN       TYR   2  -0.548  -5.420   2.316
    7    HA   TYR   2           HA       TYR   2  -1.379  -2.871   1.496
    8    HB2  TYR   2           2HB      TYR   2  -0.891  -3.387   3.836
    9    HB3  TYR   2           1HB      TYR   2   0.807  -3.639   3.442
   10    HD1  TYR   2           2HD      TYR   2  -1.863  -1.110   3.697
   11    HD2  TYR   2           1HD      TYR   2   2.314  -1.781   3.236
   12    HE1  TYR   2           2HE      TYR   2  -1.438   1.276   4.108
   13    HE2  TYR   2           1HE      TYR   2   2.750   0.597   3.641
   14    HH   TYR   2           HH       TYR   2   0.913   2.588   5.074
   15    H    ASP   3           HN       ASP   3  -0.519  -1.419   0.174
   16    HA   ASP   3           HA       ASP   3   1.963  -2.035  -1.181
   17    HB2  ASP   3           2HB      ASP   3  -0.291  -1.185  -2.246
   18    HB3  ASP   3           1HB      ASP   3   0.329   0.398  -1.785
   19    HA   PRO   4           HA       PRO   4   3.791   0.804   1.834
   20    HB2  PRO   4           2HB      PRO   4   6.333  -0.257   0.842
   21    HB3  PRO   4           1HB      PRO   4   5.647  -0.301   2.472
   22    HG2  PRO   4           2HG      PRO   4   5.827  -2.526   1.030
   23    HG3  PRO   4           1HG      PRO   4   4.424  -2.186   2.062
   24    HD2  PRO   4           2HD      PRO   4   4.654  -1.756  -0.930
   25    HD3  PRO   4           1HD      PRO   4   3.387  -2.603  -0.010
   26    H    ALA   5           HN       ALA   5   4.823   0.366  -1.504
   27    HA   ALA   5           HA       ALA   5   6.453   2.629  -1.753
   28    HB1  ALA   5           3HB      ALA   5   4.812   1.131  -3.784
   29    HB2  ALA   5           1HB      ALA   5   6.538   0.978  -3.455
   30    HB3  ALA   5           2HB      ALA   5   5.909   2.446  -4.205
   31    H    THR   6           HN       THR   6   3.028   2.230  -2.650
   32    HA   THR   6           HA       THR   6   2.709   5.052  -3.028
   33    HB   THR   6           HB       THR   6   0.863   2.679  -3.237
   34    HG1  THR   6           1HG      THR   6   1.790   4.492  -5.206
   35   HG21  THR   6          23HG      THR   6   0.066   5.362  -4.222
   36   HG22  THR   6          21HG      THR   6  -0.246   4.911  -2.548
   37   HG23  THR   6          22HG      THR   6  -0.923   3.949  -3.858
   38    H    GLY   7           HN       GLY   7   2.041   2.646  -0.599
   39    HA2  GLY   7           2HA      GLY   7   1.638   2.982   1.644
   40    HA3  GLY   7           1HA      GLY   7   1.452   4.696   1.332
   41    H    THR   8           HN       THR   8  -0.299   2.202  -0.362
   42    HA   THR   8           HA       THR   8  -2.747   2.998   0.934
   43    HB   THR   8           HB       THR   8  -2.681   1.900  -1.826
   44    HG1  THR   8           1HG      THR   8  -2.072   4.598  -1.210
   45   HG21  THR   8          23HG      THR   8  -4.642   2.916  -0.246
   46   HG22  THR   8          21HG      THR   8  -4.708   2.762  -2.000
   47   HG23  THR   8          22HG      THR   8  -4.216   4.289  -1.266
   48    H    PHE   9           HN       PHE   9  -3.780   0.837  -0.906
   49    HA   PHE   9           HA       PHE   9  -2.894  -1.529   0.479
   50    HB2  PHE   9           2HB      PHE   9  -5.563  -0.303   0.511
   51    HB3  PHE   9           1HB      PHE   9  -5.505  -2.052   0.414
   52    HD1  PHE   9           1HD      PHE   9  -4.818   0.863   2.501
   53    HD2  PHE   9           2HD      PHE   9  -4.672  -3.384   2.261
   54    HE1  PHE   9           1HE      PHE   9  -4.476   0.741   4.935
   55    HE2  PHE   9           2HE      PHE   9  -4.330  -3.514   4.693
   56    HZ   PHE   9           HZ       PHE   9  -4.232  -1.450   6.033
   57    H    GLY  10           HN       GLY  10  -3.117  -0.169  -2.251
   58    HA2  GLY  10           2HA      GLY  10  -2.578  -1.476  -4.245
   59    HA3  GLY  10           1HA      GLY  10  -3.798  -2.629  -3.730
  Start of MODEL   21
    1    H1   GLY   1           1HT      GLY   1  -1.400  -7.442  -1.424
    2    H2   GLY   1           2HT      GLY   1  -0.507  -8.202  -0.206
    3    H3   GLY   1           3HT      GLY   1  -0.006  -6.705  -0.811
    4    HA2  GLY   1           1HA      GLY   1  -2.700  -6.754   0.248
    5    HA3  GLY   1           2HA      GLY   1  -1.430  -7.017   1.433
    6    H    TYR   2           HN       TYR   2  -0.701  -5.244   2.383
    7    HA   TYR   2           HA       TYR   2  -1.482  -2.656   1.618
    8    HB2  TYR   2           2HB      TYR   2  -0.930  -3.202   3.932
    9    HB3  TYR   2           1HB      TYR   2   0.741  -3.523   3.476
   10    HD1  TYR   2           2HD      TYR   2  -1.810  -0.886   3.842
   11    HD2  TYR   2           1HD      TYR   2   2.313  -1.729   3.212
   12    HE1  TYR   2           2HE      TYR   2  -1.269   1.479   4.242
   13    HE2  TYR   2           1HE      TYR   2   2.865   0.626   3.604
   14    HH   TYR   2           HH       TYR   2   1.917   2.581   4.727
   15    H    ASP   3           HN       ASP   3  -0.617  -1.224   0.274
   16    HA   ASP   3           HA       ASP   3   1.780  -1.925  -1.186
   17    HB2  ASP   3           2HB      ASP   3  -0.470  -0.966  -2.152
   18    HB3  ASP   3           1HB      ASP   3   0.230   0.583  -1.690
   19    HA   PRO   4           HA       PRO   4   3.858   0.791   1.783
   20    HB2  PRO   4           2HB      PRO   4   6.303  -0.380   0.683
   21    HB3  PRO   4           1HB      PRO   4   5.679  -0.411   2.338
   22    HG2  PRO   4           2HG      PRO   4   5.694  -2.625   0.869
   23    HG3  PRO   4           1HG      PRO   4   4.346  -2.229   1.954
   24    HD2  PRO   4           2HD      PRO   4   4.492  -1.768  -1.039
   25    HD3  PRO   4           1HD      PRO   4   3.219  -2.569  -0.086
   26    H    ALA   5           HN       ALA   5   4.723   0.353  -1.599
   27    HA   ALA   5           HA       ALA   5   6.486   2.498  -1.899
   28    HB1  ALA   5           3HB      ALA   5   6.534   1.171  -3.745
   29    HB2  ALA   5           1HB      ALA   5   5.438   2.419  -4.339
   30    HB3  ALA   5           2HB      ALA   5   4.792   0.895  -3.731
   31    H    THR   6           HN       THR   6   2.996   2.383  -2.597
   32    HA   THR   6           HA       THR   6   2.921   5.266  -2.755
   33    HB   THR   6           HB       THR   6   1.001   3.059  -3.437
   34    HG1  THR   6           1HG      THR   6   2.034   5.208  -4.967
   35   HG21  THR   6          23HG      THR   6   0.314   5.957  -3.718
   36   HG22  THR   6          21HG      THR   6  -0.233   4.967  -2.369
   37   HG23  THR   6          22HG      THR   6  -0.706   4.549  -4.014
   38    H    GLY   7           HN       GLY   7   2.110   2.682  -0.610
   39    HA2  GLY   7           2HA      GLY   7   1.614   2.832   1.638
   40    HA3  GLY   7           1HA      GLY   7   1.396   4.562   1.449
   41    H    THR   8           HN       THR   8  -0.215   2.100  -0.459
   42    HA   THR   8           HA       THR   8  -2.750   2.905   0.647
   43    HB   THR   8           HB       THR   8  -2.508   1.520  -1.966
   44    HG1  THR   8           1HG      THR   8  -1.929   4.276  -1.679
   45   HG21  THR   8          23HG      THR   8  -4.366   2.722  -2.572
   46   HG22  THR   8          21HG      THR   8  -4.047   3.993  -1.394
   47   HG23  THR   8          22HG      THR   8  -4.635   2.424  -0.855
   48    H    PHE   9           HN       PHE   9  -3.644   0.566  -1.021
   49    HA   PHE   9           HA       PHE   9  -2.811  -1.669   0.581
   50    HB2  PHE   9           2HB      PHE   9  -5.458  -0.404   0.547
   51    HB3  PHE   9           1HB      PHE   9  -5.430  -2.156   0.589
   52    HD1  PHE   9           2HD      PHE   9  -4.543   0.900   2.408
   53    HD2  PHE   9           1HD      PHE   9  -4.711  -3.349   2.546
   54    HE1  PHE   9           2HE      PHE   9  -4.165   0.968   4.837
   55    HE2  PHE   9           1HE      PHE   9  -4.331  -3.290   4.976
   56    HZ   PHE   9           HZ       PHE   9  -4.058  -1.127   6.125
   57    H    GLY  10           HN       GLY  10  -3.036  -0.549  -2.249
   58    HA2  GLY  10           2HA      GLY  10  -2.540  -2.045  -4.121
   59    HA3  GLY  10           1HA      GLY  10  -3.798  -3.104  -3.508
  Start of MODEL   22
    1    H1   GLY   1           1HT      GLY   1  -2.221  -8.315   1.432
    2    H2   GLY   1           2HT      GLY   1  -3.226  -6.968   1.255
    3    H3   GLY   1           3HT      GLY   1  -1.904  -6.904   2.309
    4    HA2  GLY   1           1HA      GLY   1  -0.425  -7.278   0.342
    5    HA3  GLY   1           2HA      GLY   1  -1.851  -7.024  -0.651
    6    H    TYR   2           HN       TYR   2  -0.593  -5.409   2.266
    7    HA   TYR   2           HA       TYR   2  -1.396  -2.843   1.474
    8    HB2  TYR   2           2HB      TYR   2  -0.908  -3.402   3.808
    9    HB3  TYR   2           1HB      TYR   2   0.789  -3.648   3.407
   10    HD1  TYR   2           2HD      TYR   2  -1.879  -1.123   3.701
   11    HD2  TYR   2           1HD      TYR   2   2.296  -1.789   3.225
   12    HE1  TYR   2           2HE      TYR   2  -1.453   1.256   4.148
   13    HE2  TYR   2           1HE      TYR   2   2.735   0.582   3.668
   14    HH   TYR   2           HH       TYR   2   0.877   2.557   5.131
   15    H    ASP   3           HN       ASP   3  -0.526  -1.384   0.169
   16    HA   ASP   3           HA       ASP   3   1.952  -2.008  -1.192
   17    HB2  ASP   3           2HB      ASP   3  -0.298  -1.148  -2.257
   18    HB3  ASP   3           1HB      ASP   3   0.330   0.431  -1.792
   19    HA   PRO   4           HA       PRO   4   3.788   0.819   1.828
   20    HB2  PRO   4           2HB      PRO   4   6.327  -0.258   0.850
   21    HB3  PRO   4           1HB      PRO   4   5.629  -0.304   2.474
   22    HG2  PRO   4           2HG      PRO   4   5.807  -2.523   1.021
   23    HG3  PRO   4           1HG      PRO   4   4.401  -2.182   2.049
   24    HD2  PRO   4           2HD      PRO   4   4.646  -1.737  -0.939
   25    HD3  PRO   4           1HD      PRO   4   3.368  -2.584  -0.029
   26    H    ALA   5           HN       ALA   5   4.825   0.376  -1.507
   27    HA   ALA   5           HA       ALA   5   6.482   2.617  -1.752
   28    HB1  ALA   5           3HB      ALA   5   6.584   2.106  -3.957
   29    HB2  ALA   5           1HB      ALA   5   4.841   1.877  -4.099
   30    HB3  ALA   5           2HB      ALA   5   5.843   0.605  -3.400
   31    H    THR   6           HN       THR   6   3.055   2.274  -2.661
   32    HA   THR   6           HA       THR   6   2.778   5.110  -2.977
   33    HB   THR   6           HB       THR   6   0.898   2.775  -3.280
   34    HG1  THR   6           1HG      THR   6   1.926   4.604  -5.184
   35   HG21  THR   6          23HG      THR   6  -0.806   4.153  -4.049
   36   HG22  THR   6          21HG      THR   6   0.239   5.571  -4.093
   37   HG23  THR   6          22HG      THR   6  -0.261   4.892  -2.546
   38    H    GLY   7           HN       GLY   7   2.050   2.643  -0.633
   39    HA2  GLY   7           2HA      GLY   7   1.621   2.919   1.613
   40    HA3  GLY   7           1HA      GLY   7   1.439   4.643   1.344
   41    H    THR   8           HN       THR   8  -0.296   2.162  -0.412
   42    HA   THR   8           HA       THR   8  -2.763   3.007   0.814
   43    HB   THR   8           HB       THR   8  -2.667   1.740  -1.867
   44    HG1  THR   8           1HG      THR   8  -2.266   3.829  -2.776
   45   HG21  THR   8          23HG      THR   8  -4.149   4.195  -1.521
   46   HG22  THR   8          21HG      THR   8  -4.617   2.937  -0.383
   47   HG23  THR   8          22HG      THR   8  -4.676   2.622  -2.116
   48    H    PHE   9           HN       PHE   9  -3.781   0.752  -0.905
   49    HA   PHE   9           HA       PHE   9  -2.928  -1.540   0.618
   50    HB2  PHE   9           2HB      PHE   9  -5.595  -0.297   0.552
   51    HB3  PHE   9           1HB      PHE   9  -5.528  -2.047   0.605
   52    HD1  PHE   9           2HD      PHE   9  -4.573  -3.203   2.546
   53    HD2  PHE   9           1HD      PHE   9  -4.977   1.032   2.446
   54    HE1  PHE   9           2HE      PHE   9  -4.231  -3.117   4.981
   55    HE2  PHE   9           1HE      PHE   9  -4.637   1.127   4.881
   56    HZ   PHE   9           HZ       PHE   9  -4.262  -0.949   6.152
   57    H    GLY  10           HN       GLY  10  -3.117  -0.345  -2.187
   58    HA2  GLY  10           2HA      GLY  10  -3.079  -2.800  -3.603
   59    HA3  GLY  10           1HA      GLY  10  -4.608  -1.977  -3.875
  Start of MODEL   23
    1    H1   GLY   1           1HT      GLY   1  -4.010  -6.702   0.024
    2    H2   GLY   1           2HT      GLY   1  -3.158  -8.065  -0.501
    3    H3   GLY   1           3HT      GLY   1  -2.976  -6.591  -1.311
    4    HA2  GLY   1           1HA      GLY   1  -2.242  -6.955   1.535
    5    HA3  GLY   1           2HA      GLY   1  -1.105  -7.228   0.224
    6    H    TYR   2           HN       TYR   2  -0.624  -5.337   2.192
    7    HA   TYR   2           HA       TYR   2  -1.441  -2.739   1.427
    8    HB2  TYR   2           2HB      TYR   2  -0.595  -3.471   3.713
    9    HB3  TYR   2           1HB      TYR   2   1.025  -3.387   3.024
   10    HD1  TYR   2           1HD      TYR   2  -1.904  -1.462   4.056
   11    HD2  TYR   2           2HD      TYR   2   2.037  -1.235   2.483
   12    HE1  TYR   2           1HE      TYR   2  -1.847   0.950   4.550
   13    HE2  TYR   2           2HE      TYR   2   2.114   1.158   2.974
   14    HH   TYR   2           HH       TYR   2  -0.493   3.003   3.541
   15    H    ASP   3           HN       ASP   3  -0.168  -1.095   0.528
   16    HA   ASP   3           HA       ASP   3   2.015  -2.019  -1.178
   17    HB2  ASP   3           2HB      ASP   3  -0.220  -1.309  -2.275
   18    HB3  ASP   3           1HB      ASP   3   0.270   0.330  -1.856
   19    HA   PRO   4           HA       PRO   4   3.756   0.974   1.929
   20    HB2  PRO   4           2HB      PRO   4   6.152  -0.441   0.878
   21    HB3  PRO   4           1HB      PRO   4   5.745   0.013   2.535
   22    HG2  PRO   4           2HG      PRO   4   5.529  -2.498   1.762
   23    HG3  PRO   4           1HG      PRO   4   4.307  -1.756   2.810
   24    HD2  PRO   4           2HD      PRO   4   4.142  -2.336  -0.146
   25    HD3  PRO   4           1HD      PRO   4   2.879  -2.455   1.103
   26    H    ALA   5           HN       ALA   5   4.553   0.247  -1.405
   27    HA   ALA   5           HA       ALA   5   6.357   2.329  -1.908
   28    HB1  ALA   5           3HB      ALA   5   5.873   1.979  -4.253
   29    HB2  ALA   5           1HB      ALA   5   4.399   1.100  -3.845
   30    HB3  ALA   5           2HB      ALA   5   5.974   0.425  -3.425
   31    H    THR   6           HN       THR   6   2.853   2.210  -2.554
   32    HA   THR   6           HA       THR   6   2.812   5.060  -2.985
   33    HB   THR   6           HB       THR   6   0.826   2.835  -3.348
   34    HG1  THR   6           1HG      THR   6   1.458   3.018  -5.322
   35   HG21  THR   6          23HG      THR   6  -0.303   4.921  -2.472
   36   HG22  THR   6          21HG      THR   6  -0.876   4.276  -4.007
   37   HG23  THR   6          22HG      THR   6   0.184   5.684  -3.982
   38    H    GLY   7           HN       GLY   7   2.016   2.733  -0.557
   39    HA2  GLY   7           2HA      GLY   7   1.652   3.156   1.686
   40    HA3  GLY   7           1HA      GLY   7   1.388   4.847   1.307
   41    H    THR   8           HN       THR   8  -0.253   2.241  -0.314
   42    HA   THR   8           HA       THR   8  -2.728   2.936   0.986
   43    HB   THR   8           HB       THR   8  -2.639   1.843  -1.772
   44    HG1  THR   8           1HG      THR   8  -2.147   4.574  -1.208
   45   HG21  THR   8          23HG      THR   8  -4.236   4.189  -1.244
   46   HG22  THR   8          21HG      THR   8  -4.607   2.846  -0.170
   47   HG23  THR   8          22HG      THR   8  -4.697   2.626  -1.915
   48    H    PHE   9           HN       PHE   9  -3.682   0.744  -0.847
   49    HA   PHE   9           HA       PHE   9  -2.716  -1.579   0.564
   50    HB2  PHE   9           2HB      PHE   9  -5.450  -0.496   0.436
   51    HB3  PHE   9           1HB      PHE   9  -5.272  -2.242   0.424
   52    HD1  PHE   9           2HD      PHE   9  -4.195  -3.389   2.345
   53    HD2  PHE   9           1HD      PHE   9  -5.125   0.763   2.417
   54    HE1  PHE   9           2HE      PHE   9  -3.958  -3.384   4.793
   55    HE2  PHE   9           1HE      PHE   9  -4.892   0.776   4.868
   56    HZ   PHE   9           HZ       PHE   9  -4.308  -1.300   6.059
   57    H    GLY  10           HN       GLY  10  -2.859  -0.255  -2.180
   58    HA2  GLY  10           2HA      GLY  10  -3.921  -2.450  -3.788
   59    HA3  GLY  10           1HA      GLY  10  -3.389  -0.891  -4.398