*HEADER    DE NOVO PROTEIN                         06-SEP-17   6AXI              
*TITLE     PAWL-DERIVED PEPTIDE PLP-2                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ASP-LEU-PHE-VAL-PRO-PRO-ILE-ASP;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SENECIO PINNATIFOLIUS;                          
*SOURCE   4 ORGANISM_TAXID: 904569                                               
*KEYWDS    ORBITIDE, CYCLIC PEPTIDE, PLANT PEPTIDE, BURIED PEPTIDE, DE NOVO      
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.FISHER,J.S.MYLNE,M.J.HOWARD                                         
*REVDAT   1   07-MAR-18 6AXI    0                                                
# Restraints file 1: cyclo-DLFVPPID33A.tbl
 ASSI    (( resid 1    and name  HN  ))   (( resid 1    and name  HB2 ))      6.000     4.200     0.000 peak    22 weight  1.00000E+00 volume  -3.24096E+06 ppm1      8.204 ppm2      2.911
 ASSI    (( resid 1    and name  HN  ))   (( resid 1    and name  HB1 ))      6.000     4.200     0.000 peak    23 weight  1.00000E+00 volume  -1.73824E+05 ppm1      8.204 ppm2      2.686
 ASSI    (( resid 1    and name  HB2 ))   (( resid 1    and name  HA  ))      6.000     4.200     0.000 peak    50 weight  1.00000E+00 volume  -4.74496E+05 ppm1      4.199 ppm2      2.909
 ASSI    (( resid 1    and name  HB1 ))   (( resid 1    and name  HA  ))      6.000     4.200     0.000 peak    51 weight  1.00000E+00 volume  -3.53664E+05 ppm1      4.202 ppm2      2.679
 ASSI    (( resid 1    and name  HN  ))   (( resid 8    and name  HB2 ))      6.000     4.200     0.000 peak    24 weight  1.00000E+00 volume  -1.83821E+06 ppm1      8.204 ppm2      2.602
 ASSI    (( resid 2    and name  HN  ))   (( resid 1    and name  HN  ))      6.000     4.200     0.000 peak     8 weight  1.00000E+00 volume  -4.48768E+05 ppm1      8.203 ppm2      7.471
 ASSI    (( resid 2    and name  HA  ))   (( resid 2    and name  HN  ))      6.000     4.200     0.000 peak    17 weight  1.00000E+00 volume  -3.98144E+05 ppm1      7.473 ppm2      4.202
 ASSI    (( resid 2    and name  HN  ))   (( resid 2    and name  HB2 ))      6.000     4.200     0.000 peak    27 weight  1.00000E+00 volume  -1.99827E+06 ppm1      7.473 ppm2      2.352
 ASSI    (( resid 2    and name  HN  ))   (( resid 2    and name  HB1 ))      6.000     4.200     0.000 peak    40 weight  1.00000E+00 volume  -9.20000E+05 ppm1      7.473 ppm2      1.348
 ASSI    (( resid 2    and name  HA  ))   (( resid 2    and name  HG  ))      6.000     4.200     0.000 peak    44 weight  1.00000E+00 volume  -9.78432E+05 ppm1      4.206 ppm2      1.747
 ASSI    (( resid 2    and name  HA  ))   (  resid 2    and name  HD1#)      6.000     4.200     0.000 peak    70 weight  1.00000E+00 volume  -6.97600E+05 ppm1      4.201 ppm2      0.863
 ASSI    (( resid 2    and name  HA  ))   (( resid 2    and name  HB1 ))      6.000     4.200     0.000 peak    73 weight  1.00000E+00 volume  -3.22131E+06 ppm1      4.197 ppm2      1.353
 ASSI    (( resid 2    and name  HA  ))   (( resid 2    and name  HB2 ))      6.000     4.200     0.000 peak    83 weight  1.00000E+00 volume  -1.10221E+06 ppm1      4.205 ppm2      2.354
 ASSI    (( resid 2    and name  HB2 ))   (( resid 2    and name  HB1 ))      6.000     4.200     0.000 peak    97 weight  1.00000E+00 volume  -9.96672E+05 ppm1      2.356 ppm2      1.350
 ASSI    (  resid 2    and name  HD1#)   (( resid 5    and name  HA  ))      6.000     4.200     0.000 peak   105 weight  1.00000E+00 volume  -3.41120E+05 ppm1      4.854 ppm2      0.869
 ASSI    (( resid 3    and name  HN  ))   (( resid 2    and name  HA  ))      6.000     4.200     0.000 peak     5 weight  1.00000E+00 volume  -4.84250E+06 ppm1      7.900 ppm2      4.199
 ASSI    (( resid 3    and name  HN  ))   (( resid 2    and name  HB2 ))      6.000     4.200     0.000 peak    26 weight  1.00000E+00 volume  -1.20320E+05 ppm1      7.898 ppm2      2.352
 ASSI    (( resid 3    and name  HN  ))   (  resid 2    and name  HD1#)      6.000     4.200     0.000 peak    38 weight  1.00000E+00 volume  -1.32275E+06 ppm1      7.899 ppm2      0.867
 ASSI    (( resid 3    and name  HN  ))   (( resid 2    and name  HB1 ))      6.000     4.200     0.000 peak    39 weight  1.00000E+00 volume  -2.17312E+06 ppm1      7.899 ppm2      1.348
 ASSI    (( resid 3    and name  HA  ))   (( resid 2    and name  HB2 ))      6.000     4.200     0.000 peak    52 weight  1.00000E+00 volume  -3.32288E+05 ppm1      4.289 ppm2      2.344
 ASSI    (( resid 3    and name  HN  ))   (( resid 3    and name  HA  ))      6.000     4.200     0.000 peak    19 weight  1.00000E+00 volume  -2.16832E+05 ppm1      7.898 ppm2      4.286
 ASSI    (( resid 3    and name  HN  ))   (( resid 3    and name  HB2 ))      6.000     4.200     0.000 peak    20 weight  1.00000E+00 volume  -3.21856E+05 ppm1      7.898 ppm2      3.003
 ASSI    (( resid 3    and name  HN  ))   (( resid 3    and name  HB1 ))      6.000     4.200     0.000 peak    21 weight  1.00000E+00 volume  -2.20992E+05 ppm1      7.898 ppm2      2.935
 ASSI    (( resid 3    and name  HA  ))   (( resid 3    and name  HB1 ))      6.000     4.200     0.000 peak    85 weight  1.00000E+00 volume  -3.10963E+06 ppm1      4.285 ppm2      2.929
 ASSI    (( resid 3    and name  HA  ))   (( resid 3    and name  HB2 ))      6.000     4.200     0.000 peak    86 weight  1.00000E+00 volume  -1.70624E+05 ppm1      4.285 ppm2      3.005
 ASSI    (( resid 3    and name  HN  ))   (( resid 4    and name  HN  ))      6.000     4.200     0.000 peak    14 weight  1.00000E+00 volume  -9.04832E+05 ppm1      7.898 ppm2      7.279
 ASSI    (( resid 3    and name  HA  ))   (( resid 4    and name  HB  ))      6.000     4.200     0.000 peak    87 weight  1.00000E+00 volume  -1.51155E+06 ppm1      4.289 ppm2      1.945
 ASSI    (( resid 4    and name  HN  ))   (( resid 2    and name  HB1 ))      6.000     4.200     0.000 peak    41 weight  1.00000E+00 volume  -1.89824E+05 ppm1      7.275 ppm2      1.347
 ASSI    (( resid 4    and name  HN  ))   (( resid 3    and name  HA  ))      6.000     4.200     0.000 peak     6 weight  1.00000E+00 volume  -7.60192E+05 ppm1      7.276 ppm2      4.287
 ASSI    (( resid 4    and name  HN  ))   (( resid 3    and name  HB1 ))      6.000     4.200     0.000 peak    29 weight  1.00000E+00 volume  -1.82336E+05 ppm1      7.276 ppm2      2.935
 ASSI    (( resid 4    and name  HN  ))   (( resid 3    and name  HB2 ))      6.000     4.200     0.000 peak    30 weight  1.00000E+00 volume  -1.34982E+06 ppm1      7.276 ppm2      2.998
 ASSI    (( resid 4    and name  HN  ))   (( resid 4    and name  HA  ))      6.000     4.200     0.000 peak    18 weight  1.00000E+00 volume  -1.29658E+06 ppm1      7.276 ppm2      4.018
 ASSI    (( resid 4    and name  HN  ))   (( resid 4    and name  HB  ))      6.000     4.200     0.000 peak    43 weight  1.00000E+00 volume  -1.42906E+06 ppm1      7.275 ppm2      1.945
 ASSI    (( resid 4    and name  HA  ))   (( resid 5    and name  HA  ))      6.000     4.200     0.000 peak    53 weight  1.00000E+00 volume  -1.37267E+06 ppm1      4.854 ppm2      4.009
 ASSI    (( resid 5    and name  HD2 ))   (  resid 4    and name  HG1#)      6.000     4.200     0.000 peak    72 weight  1.00000E+00 volume  -2.21504E+06 ppm1      3.625 ppm2      0.885
 ASSI    (( resid 5    and name  HA  ))   (( resid 5    and name  HB2 ))      6.000     4.200     0.000 peak    65 weight  1.00000E+00 volume  -4.57728E+05 ppm1      4.854 ppm2      2.322
 ASSI    (( resid 5    and name  HG2 ))   (( resid 5    and name  HA  ))      6.000     4.200     0.000 peak    66 weight  1.00000E+00 volume  -4.68864E+05 ppm1      4.854 ppm2      1.797
 ASSI    (( resid 5    and name  HG2 ))   (( resid 5    and name  HB2 ))      6.000     4.200     0.000 peak    84 weight  1.00000E+00 volume  -1.29110E+07 ppm1      2.321 ppm2      1.786
 ASSI    (( resid 5    and name  HA  ))   (( resid 6    and name  HB1 ))      6.000     4.200     0.000 peak    79 weight  1.00000E+00 volume  -5.05280E+05 ppm1      4.856 ppm2      1.933
 ASSI    (( resid 5    and name  HA  ))   (( resid 6    and name  HG1 ))      6.000     4.200     0.000 peak    80 weight  1.00000E+00 volume  -4.45312E+05 ppm1      4.856 ppm2      1.998
 ASSI    (( resid 6    and name  HD2 ))   (( resid 5    and name  HA  ))      6.000     4.200     0.000 peak    60 weight  1.00000E+00 volume  -4.69722E+06 ppm1      4.854 ppm2      3.564
 ASSI    (( resid 6    and name  HA  ))   (( resid 6    and name  HG2 ))      6.000     4.200     0.000 peak    55 weight  1.00000E+00 volume  -4.97216E+05 ppm1      4.639 ppm2      2.134
 ASSI    (( resid 6    and name  HA  ))   (( resid 6    and name  HD2 ))      6.000     4.200     0.000 peak    64 weight  1.00000E+00 volume  -6.32960E+05 ppm1      4.640 ppm2      3.564
 ASSI    (( resid 6    and name  HA  ))   (( resid 6    and name  HB2 ))      6.000     4.200     0.000 peak    67 weight  1.00000E+00 volume  -6.92352E+05 ppm1      4.636 ppm2      1.773
 ASSI    (( resid 6    and name  HA  ))   (( resid 6    and name  HB1 ))      6.000     4.200     0.000 peak    77 weight  1.00000E+00 volume  -6.34944E+05 ppm1      4.636 ppm2      1.933
 ASSI    (( resid 6    and name  HA  ))   (( resid 6    and name  HG1 ))      6.000     4.200     0.000 peak    78 weight  1.00000E+00 volume  -1.11616E+05 ppm1      4.636 ppm2      1.998
 ASSI    (( resid 7    and name  HN  ))   (( resid 2    and name  HN  ))      6.000     4.200     0.000 peak     7 weight  1.00000E+00 volume  -7.88800E+05 ppm1      7.981 ppm2      7.474
 ASSI    (( resid 7    and name  HN  ))   (( resid 2    and name  HB2 ))      6.000     4.200     0.000 peak    25 weight  1.00000E+00 volume  -1.93920E+05 ppm1      7.981 ppm2      2.354
 ASSI    (( resid 7    and name  HN  ))   (  resid 2    and name  HD1#)      6.000     4.200     0.000 peak    37 weight  1.00000E+00 volume  -1.14675E+06 ppm1      7.981 ppm2      0.867
 ASSI    (( resid 7    and name  HN  ))   (( resid 5    and name  HG2 ))      6.000     4.200     0.000 peak    35 weight  1.00000E+00 volume  -8.51712E+05 ppm1      7.981 ppm2      1.786
 ASSI    (( resid 7    and name  HA  ))   (( resid 5    and name  HG2 ))      6.000     4.200     0.000 peak   114 weight  1.00000E+00 volume  -7.17824E+05 ppm1      4.297 ppm2      1.794
 ASSI    (( resid 7    and name  HN  ))   (( resid 6    and name  HA  ))      6.000     4.200     0.000 peak     4 weight  1.00000E+00 volume  -5.20877E+06 ppm1      7.983 ppm2      4.640
 ASSI    (( resid 7    and name  HN  ))   (( resid 6    and name  HG2 ))      6.000     4.200     0.000 peak    75 weight  1.00000E+00 volume  -3.69344E+05 ppm1      7.983 ppm2      2.132
 ASSI    (( resid 7    and name  HA  ))   (( resid 7    and name  HN  ))      6.000     4.200     0.000 peak    15 weight  1.00000E+00 volume  -3.25376E+05 ppm1      7.981 ppm2      4.301
 ASSI    (( resid 7    and name  HN  ))   (( resid 7    and name  HB  ))      6.000     4.200     0.000 peak    34 weight  1.00000E+00 volume  -1.59232E+05 ppm1      7.981 ppm2      1.570
 ASSI    (( resid 7    and name  HA  ))   (  resid 7    and name  HD1#)      6.000     4.200     0.000 peak    45 weight  1.00000E+00 volume  -2.07680E+05 ppm1      4.300 ppm2      1.321
 ASSI    (( resid 7    and name  HA  ))   (( resid 7    and name  HB  ))      6.000     4.200     0.000 peak    68 weight  1.00000E+00 volume  -3.15264E+06 ppm1      4.299 ppm2      1.571
 ASSI    (( resid 7    and name  HA  ))   (( resid 7    and name  HG12))      6.000     4.200     0.000 peak    96 weight  1.00000E+00 volume  -4.20160E+05 ppm1      4.298 ppm2      0.869
 ASSI    (( resid 7    and name  HB  ))   (  resid 7    and name  HG2#)      6.000     4.200     0.000 peak   101 weight  1.00000E+00 volume  -3.08544E+05 ppm1      1.574 ppm2      0.722
 ASSI    (( resid 7    and name  HA  ))   (  resid 7    and name  HG2#)      6.000     4.200     0.000 peak   108 weight  1.00000E+00 volume  -1.40429E+06 ppm1      4.298 ppm2      0.722
 ASSI    (( resid 8    and name  HA  ))   (( resid 1    and name  HN  ))      6.000     4.200     0.000 peak    16 weight  1.00000E+00 volume  -2.53248E+05 ppm1      8.204 ppm2      3.896
 ASSI    (( resid 8    and name  HA  ))   (( resid 1    and name  HB2 ))      6.000     4.200     0.000 peak    48 weight  1.00000E+00 volume  -3.82912E+05 ppm1      3.899 ppm2      2.912
 ASSI    (( resid 8    and name  HN  ))   (( resid 7    and name  HA  ))      6.000     4.200     0.000 peak     1 weight  1.00000E+00 volume  -1.08819E+06 ppm1      9.004 ppm2      4.302
 ASSI    (( resid 8    and name  HN  ))   (( resid 7    and name  HB  ))      6.000     4.200     0.000 peak    33 weight  1.00000E+00 volume  -1.07418E+06 ppm1      9.004 ppm2      1.572
 ASSI    (( resid 8    and name  HN  ))   (  resid 7    and name  HD1#)      6.000     4.200     0.000 peak    76 weight  1.00000E+00 volume  -5.20448E+05 ppm1      9.000 ppm2      1.320
 ASSI    (( resid 8    and name  HN  ))   (( resid 8    and name  HA  ))      6.000     4.200     0.000 peak     2 weight  1.00000E+00 volume  -5.24128E+06 ppm1      9.004 ppm2      3.898
 ASSI    (( resid 8    and name  HN  ))   (( resid 8    and name  HB2 ))      6.000     4.200     0.000 peak    31 weight  1.00000E+00 volume  -1.07776E+05 ppm1      9.004 ppm2      2.605
 ASSI    (( resid 8    and name  HN  ))   (( resid 8    and name  HB1 ))      6.000     4.200     0.000 peak    32 weight  1.00000E+00 volume  -5.12000E+05 ppm1      9.004 ppm2      2.906
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           H        ASP   1  -2.908  54.959  83.423
    2    HA   ASP   1           HA       ASP   1  -0.044  54.075  83.591
    3    HB2  ASP   1          1HB       ASP   1  -2.200  52.530  82.693
    4    HB3  ASP   1          2HB       ASP   1  -1.549  53.228  81.198
    5    H    LEU   2           H        LEU   2  -1.386  56.739  83.414
    6    HA   LEU   2           HA       LEU   2  -0.704  57.664  80.689
    7    HB2  LEU   2          1HB       LEU   2  -2.042  59.049  82.975
    8    HB3  LEU   2          2HB       LEU   2  -1.763  59.702  81.380
    9    HG   LEU   2           HG       LEU   2  -3.530  57.330  81.989
   10   HD11  LEU   2          1HD1      LEU   2  -5.391  58.925  81.535
   11   HD12  LEU   2          2HD1      LEU   2  -4.178  60.256  81.359
   12   HD13  LEU   2          3HD1      LEU   2  -4.382  59.395  82.929
   13   HD21  LEU   2          1HD2      LEU   2  -4.369  57.630  79.659
   14   HD22  LEU   2          2HD2      LEU   2  -2.681  57.135  79.717
   15   HD23  LEU   2          3HD2      LEU   2  -3.079  58.851  79.390
   16    H    PHE   3           H        PHE   3   0.721  59.202  80.239
   17    HA   PHE   3           HA       PHE   3   2.896  59.747  82.104
   18    HB2  PHE   3          1HB       PHE   3   2.045  61.230  79.565
   19    HB3  PHE   3          2HB       PHE   3   3.554  61.481  80.438
   20    HD1  PHE   3           HD1      PHE   3   5.066  59.498  80.779
   21    HD2  PHE   3           HD2      PHE   3   1.863  59.619  77.967
   22    HE1  PHE   3           HE1      PHE   3   6.172  57.620  79.540
   23    HE2  PHE   3           HE2      PHE   3   2.885  57.796  76.575
   24    HZ   PHE   3           HZ       PHE   3   5.107  56.767  77.395
   25    H    VAL   4           H        VAL   4   0.246  61.926  80.832
   26    HA   VAL   4           HA       VAL   4   0.362  63.396  83.409
   27    HB   VAL   4           HB       VAL   4   1.880  64.701  82.083
   28   HG11  VAL   4          1HG1      VAL   4   1.196  65.779  79.896
   29   HG12  VAL   4          2HG1      VAL   4  -0.294  64.797  79.898
   30   HG13  VAL   4          3HG1      VAL   4   1.317  64.019  79.798
   31   HG21  VAL   4          1HG2      VAL   4   0.777  66.927  82.094
   32   HG22  VAL   4          2HG2      VAL   4   0.205  66.026  83.499
   33   HG23  VAL   4          3HG2      VAL   4  -0.851  66.203  82.075
   34    HA   PRO   5           HA       PRO   5  -0.921  64.462  84.826
   35    HB2  PRO   5          1HB       PRO   5  -2.946  63.620  86.424
   36    HB3  PRO   5          2HB       PRO   5  -3.045  65.144  85.499
   37    HG2  PRO   5          1HG       PRO   5  -4.123  62.402  84.825
   38    HG3  PRO   5          2HG       PRO   5  -5.011  63.987  84.777
   39    HD2  PRO   5          1HD       PRO   5  -3.947  62.889  82.531
   40    HD3  PRO   5          2HD       PRO   5  -3.940  64.688  82.836
   41    HA   PRO   6           HA       PRO   6   0.735  60.378  85.429
   42    HB2  PRO   6          1HB       PRO   6   1.982  60.576  87.851
   43    HB3  PRO   6          2HB       PRO   6   2.577  61.465  86.414
   44    HG2  PRO   6          1HG       PRO   6   0.816  62.443  88.664
   45    HG3  PRO   6          2HG       PRO   6   2.267  63.190  87.989
   46    HD2  PRO   6          1HD       PRO   6  -0.122  63.998  87.196
   47    HD3  PRO   6          2HD       PRO   6   1.233  63.857  86.034
   48    H    ILE   7           H        ILE   7  -1.293  59.381  85.540
   49    HA   ILE   7           HA       ILE   7  -1.903  58.056  88.154
   50    HB   ILE   7           HB       ILE   7  -4.379  58.423  87.842
   51   HG12  ILE   7          1HG1      ILE   7  -3.542  60.222  85.480
   52   HG13  ILE   7          2HG1      ILE   7  -4.320  58.685  85.374
   53   HG21  ILE   7          1HG2      ILE   7  -2.994  61.174  87.740
   54   HG22  ILE   7          2HG2      ILE   7  -2.837  60.077  89.126
   55   HG23  ILE   7          3HG2      ILE   7  -4.464  60.689  88.667
   56   HD11  ILE   7          1HD1      ILE   7  -6.193  59.782  86.778
   57   HD12  ILE   7          2HD1      ILE   7  -6.061  60.173  85.075
   58   HD13  ILE   7          3HD1      ILE   7  -5.404  61.314  86.268
   59    H    ASP   8           H        ASP   8  -3.164  56.026  87.759
   60    HA   ASP   8           HA       ASP   8  -3.510  54.078  86.654
   61    HB2  ASP   8          1HB       ASP   8  -5.354  55.451  85.699
   62    HB3  ASP   8          2HB       ASP   8  -4.293  55.920  84.368
  Start of MODEL    2
    1    H1   ASP   1           H        ASP   1  -1.892  54.471  84.335
    2    HA   ASP   1           HA       ASP   1   0.999  54.151  83.595
    3    HB2  ASP   1          1HB       ASP   1  -0.708  52.181  83.343
    4    HB3  ASP   1          2HB       ASP   1  -1.261  53.098  81.935
    5    H    LEU   2           H        LEU   2  -0.923  56.505  83.773
    6    HA   LEU   2           HA       LEU   2  -0.709  57.504  80.935
    7    HB2  LEU   2          1HB       LEU   2  -2.048  58.784  83.347
    8    HB3  LEU   2          2HB       LEU   2  -2.014  59.420  81.720
    9    HG   LEU   2           HG       LEU   2  -3.381  56.848  82.469
   10   HD11  LEU   2          1HD1      LEU   2  -4.501  59.622  81.993
   11   HD12  LEU   2          2HD1      LEU   2  -4.472  58.782  83.540
   12   HD13  LEU   2          3HD1      LEU   2  -5.466  58.168  82.224
   13   HD21  LEU   2          1HD2      LEU   2  -4.479  57.104  80.228
   14   HD22  LEU   2          2HD2      LEU   2  -2.727  56.958  80.040
   15   HD23  LEU   2          3HD2      LEU   2  -3.489  58.540  79.925
   16    H    PHE   3           H        PHE   3   0.537  59.223  80.368
   17    HA   PHE   3           HA       PHE   3   2.888  59.726  82.034
   18    HB2  PHE   3          1HB       PHE   3   2.767  59.729  79.426
   19    HB3  PHE   3          2HB       PHE   3   2.041  61.322  79.593
   20    HD1  PHE   3           HD1      PHE   3   5.060  59.462  79.445
   21    HD2  PHE   3           HD2      PHE   3   3.462  63.171  80.771
   22    HE1  PHE   3           HE1      PHE   3   7.337  60.372  79.425
   23    HE2  PHE   3           HE2      PHE   3   5.758  64.085  80.919
   24    HZ   PHE   3           HZ       PHE   3   7.718  62.742  80.251
   25    H    VAL   4           H        VAL   4   0.172  61.784  80.897
   26    HA   VAL   4           HA       VAL   4   0.391  63.353  83.382
   27    HB   VAL   4           HB       VAL   4   1.892  64.618  81.950
   28   HG11  VAL   4          1HG1      VAL   4  -0.292  64.676  79.816
   29   HG12  VAL   4          2HG1      VAL   4   1.264  63.795  79.744
   30   HG13  VAL   4          3HG1      VAL   4   1.217  65.576  79.770
   31   HG21  VAL   4          1HG2      VAL   4   0.362  65.936  83.341
   32   HG22  VAL   4          2HG2      VAL   4  -0.825  65.998  81.990
   33   HG23  VAL   4          3HG2      VAL   4   0.777  66.762  81.820
   34    HA   PRO   5           HA       PRO   5  -0.881  64.424  84.870
   35    HB2  PRO   5          1HB       PRO   5  -2.958  63.397  86.423
   36    HB3  PRO   5          2HB       PRO   5  -3.029  65.046  85.702
   37    HG2  PRO   5          1HG       PRO   5  -4.224  62.483  84.654
   38    HG3  PRO   5          2HG       PRO   5  -4.975  64.078  84.804
   39    HD2  PRO   5          1HD       PRO   5  -4.037  63.239  82.476
   40    HD3  PRO   5          2HD       PRO   5  -3.788  64.947  83.008
   41    HA   PRO   6           HA       PRO   6   0.647  60.372  85.510
   42    HB2  PRO   6          1HB       PRO   6   1.749  60.435  88.024
   43    HB3  PRO   6          2HB       PRO   6   2.442  61.382  86.662
   44    HG2  PRO   6          1HG       PRO   6   0.478  62.278  88.714
   45    HG3  PRO   6          2HG       PRO   6   2.052  63.039  88.274
   46    HD2  PRO   6          1HD       PRO   6  -0.219  63.943  87.225
   47    HD3  PRO   6          2HD       PRO   6   1.272  63.749  86.200
   48    H    ILE   7           H        ILE   7  -1.444  59.323  85.420
   49    HA   ILE   7           HA       ILE   7  -2.325  58.207  88.056
   50    HB   ILE   7           HB       ILE   7  -4.099  58.710  85.630
   51   HG12  ILE   7          1HG1      ILE   7  -4.090  60.067  88.343
   52   HG13  ILE   7          2HG1      ILE   7  -3.571  60.809  86.881
   53   HG21  ILE   7          1HG2      ILE   7  -5.948  57.775  86.937
   54   HG22  ILE   7          2HG2      ILE   7  -4.982  57.782  88.456
   55   HG23  ILE   7          3HG2      ILE   7  -4.624  56.632  87.151
   56   HD11  ILE   7          1HD1      ILE   7  -6.403  59.989  87.525
   57   HD12  ILE   7          2HD1      ILE   7  -5.865  60.646  85.933
   58   HD13  ILE   7          3HD1      ILE   7  -5.763  61.622  87.420
   59    H    ASP   8           H        ASP   8  -1.492  56.290  88.139
   60    HA   ASP   8           HA       ASP   8  -0.871  54.137  87.691
   61    HB2  ASP   8          1HB       ASP   8  -3.291  54.033  87.361
   62    HB3  ASP   8          2HB       ASP   8  -3.040  54.161  85.623
  Start of MODEL    3
    1    H1   ASP   1           H        ASP   1  -1.488  55.769  86.308
    2    HA   ASP   1           HA       ASP   1   0.048  54.966  84.893
    3    HB2  ASP   1          1HB       ASP   1  -2.447  54.104  83.534
    4    HB3  ASP   1          2HB       ASP   1  -0.853  53.831  82.720
    5    H    LEU   2           H        LEU   2  -1.975  57.373  83.421
    6    HA   LEU   2           HA       LEU   2  -0.395  57.666  81.052
    7    HB2  LEU   2          1HB       LEU   2  -2.095  59.648  82.608
    8    HB3  LEU   2          2HB       LEU   2  -1.451  59.963  80.998
    9    HG   LEU   2           HG       LEU   2  -3.405  57.724  81.678
   10   HD11  LEU   2          1HD1      LEU   2  -4.602  59.762  82.131
   11   HD12  LEU   2          2HD1      LEU   2  -5.126  59.235  80.508
   12   HD13  LEU   2          3HD1      LEU   2  -3.938  60.562  80.701
   13   HD21  LEU   2          1HD2      LEU   2  -2.382  58.904  79.067
   14   HD22  LEU   2          2HD2      LEU   2  -3.828  57.852  79.169
   15   HD23  LEU   2          3HD2      LEU   2  -2.207  57.223  79.637
   16    H    PHE   3           H        PHE   3   0.876  59.707  80.594
   17    HA   PHE   3           HA       PHE   3   2.912  60.111  82.661
   18    HB2  PHE   3          1HB       PHE   3   2.544  61.286  79.861
   19    HB3  PHE   3          2HB       PHE   3   3.941  61.553  80.916
   20    HD1  PHE   3           HD1      PHE   3   2.394  59.232  78.522
   21    HD2  PHE   3           HD2      PHE   3   5.480  59.638  81.551
   22    HE1  PHE   3           HE1      PHE   3   3.626  57.269  77.572
   23    HE2  PHE   3           HE2      PHE   3   6.685  57.649  80.581
   24    HZ   PHE   3           HZ       PHE   3   5.715  56.491  78.599
   25    H    VAL   4           H        VAL   4   0.277  61.866  81.063
   26    HA   VAL   4           HA       VAL   4   0.441  63.870  83.190
   27    HB   VAL   4           HB       VAL   4   0.145  64.520  80.237
   28   HG11  VAL   4          1HG1      VAL   4  -1.096  66.077  81.668
   29   HG12  VAL   4          2HG1      VAL   4   0.373  66.898  81.064
   30   HG13  VAL   4          3HG1      VAL   4   0.321  66.295  82.736
   31   HG21  VAL   4          1HG2      VAL   4   2.414  63.893  80.632
   32   HG22  VAL   4          2HG2      VAL   4   2.496  64.862  82.107
   33   HG23  VAL   4          3HG2      VAL   4   2.318  65.683  80.505
   34    HA   PRO   5           HA       PRO   5  -0.745  64.254  84.795
   35    HB2  PRO   5          1HB       PRO   5  -2.809  63.564  86.451
   36    HB3  PRO   5          2HB       PRO   5  -2.801  65.137  85.611
   37    HG2  PRO   5          1HG       PRO   5  -4.112  62.541  84.905
   38    HG3  PRO   5          2HG       PRO   5  -4.811  64.202  84.922
   39    HD2  PRO   5          1HD       PRO   5  -3.952  62.876  82.647
   40    HD3  PRO   5          2HD       PRO   5  -3.763  64.685  82.842
   41    HA   PRO   6           HA       PRO   6   0.441  60.087  85.544
   42    HB2  PRO   6          1HB       PRO   6   1.730  60.202  87.887
   43    HB3  PRO   6          2HB       PRO   6   2.340  61.088  86.423
   44    HG2  PRO   6          1HG       PRO   6   0.762  62.177  88.711
   45    HG3  PRO   6          2HG       PRO   6   2.262  62.819  87.919
   46    HD2  PRO   6          1HD       PRO   6  -0.168  63.739  87.300
   47    HD3  PRO   6          2HD       PRO   6   1.150  63.639  86.088
   48    H    ILE   7           H        ILE   7  -2.205  61.292  87.140
   49    HA   ILE   7           HA       ILE   7  -2.298  59.629  89.461
   50    HB   ILE   7           HB       ILE   7  -4.706  60.214  89.634
   51   HG12  ILE   7          1HG1      ILE   7  -4.360  61.558  86.893
   52   HG13  ILE   7          2HG1      ILE   7  -5.140  59.989  87.138
   53   HG21  ILE   7          1HG2      ILE   7  -3.036  62.630  88.633
   54   HG22  ILE   7          2HG2      ILE   7  -2.928  61.905  90.264
   55   HG23  ILE   7          3HG2      ILE   7  -4.426  62.692  89.771
   56   HD11  ILE   7          1HD1      ILE   7  -6.913  61.610  86.991
   57   HD12  ILE   7          2HD1      ILE   7  -6.080  62.704  88.100
   58   HD13  ILE   7          3HD1      ILE   7  -6.803  61.182  88.686
   59    H    ASP   8           H        ASP   8  -2.932  58.620  86.187
   60    HA   ASP   8           HA       ASP   8  -3.701  55.983  87.124
   61    HB2  ASP   8          1HB       ASP   8  -5.788  57.329  86.822
   62    HB3  ASP   8          2HB       ASP   8  -5.442  57.420  85.084
  Start of MODEL    4
    1    H1   ASP   1           H        ASP   1  -2.164  54.703  84.506
    2    HA   ASP   1           HA       ASP   1  -1.579  54.194  82.413
    3    HB2  ASP   1          1HB       ASP   1  -4.106  54.129  82.216
    4    HB3  ASP   1          2HB       ASP   1  -3.994  55.782  81.539
    5    H    LEU   2           H        LEU   2  -2.402  57.650  82.546
    6    HA   LEU   2           HA       LEU   2  -0.604  58.231  80.268
    7    HB2  LEU   2          1HB       LEU   2  -2.192  60.079  82.142
    8    HB3  LEU   2          2HB       LEU   2  -1.417  60.561  80.630
    9    HG   LEU   2           HG       LEU   2  -3.705  58.524  80.724
   10   HD11  LEU   2          1HD1      LEU   2  -3.964  61.521  80.400
   11   HD12  LEU   2          2HD1      LEU   2  -4.500  60.520  81.750
   12   HD13  LEU   2          3HD1      LEU   2  -5.238  60.293  80.157
   13   HD21  LEU   2          1HD2      LEU   2  -3.991  59.036  78.419
   14   HD22  LEU   2          2HD2      LEU   2  -2.288  58.570  78.729
   15   HD23  LEU   2          3HD2      LEU   2  -2.752  60.292  78.498
   16    H    PHE   3           H        PHE   3   1.214  59.638  80.357
   17    HA   PHE   3           HA       PHE   3   2.647  59.744  82.885
   18    HB2  PHE   3          1HB       PHE   3   3.012  61.464  80.343
   19    HB3  PHE   3          2HB       PHE   3   4.170  61.311  81.691
   20    HD1  PHE   3           HD1      PHE   3   3.213  59.915  78.590
   21    HD2  PHE   3           HD2      PHE   3   5.177  59.061  82.298
   22    HE1  PHE   3           HE1      PHE   3   4.387  58.040  77.492
   23    HE2  PHE   3           HE2      PHE   3   6.413  57.169  81.200
   24    HZ   PHE   3           HZ       PHE   3   5.995  56.605  78.790
   25    H    VAL   4           H        VAL   4   0.392  61.875  80.995
   26    HA   VAL   4           HA       VAL   4   0.436  63.827  83.233
   27    HB   VAL   4           HB       VAL   4   0.279  64.411  80.265
   28   HG11  VAL   4          1HG1      VAL   4  -1.223  65.999  81.455
   29   HG12  VAL   4          2HG1      VAL   4   0.264  66.867  81.016
   30   HG13  VAL   4          3HG1      VAL   4   0.041  66.321  82.677
   31   HG21  VAL   4          1HG2      VAL   4   2.620  63.996  80.935
   32   HG22  VAL   4          2HG2      VAL   4   2.437  65.146  82.287
   33   HG23  VAL   4          3HG2      VAL   4   2.392  65.715  80.613
   34    HA   PRO   5           HA       PRO   5  -0.801  64.364  84.788
   35    HB2  PRO   5          1HB       PRO   5  -2.827  63.694  86.494
   36    HB3  PRO   5          2HB       PRO   5  -2.934  65.140  85.465
   37    HG2  PRO   5          1HG       PRO   5  -4.025  62.320  84.959
   38    HG3  PRO   5          2HG       PRO   5  -4.925  63.905  84.922
   39    HD2  PRO   5          1HD       PRO   5  -3.886  62.691  82.673
   40    HD3  PRO   5          2HD       PRO   5  -3.941  64.485  82.857
   41    HA   PRO   6           HA       PRO   6   0.718  60.395  85.733
   42    HB2  PRO   6          1HB       PRO   6   1.144  61.382  88.561
   43    HB3  PRO   6          2HB       PRO   6   2.372  60.761  87.399
   44    HG2  PRO   6          1HG       PRO   6   2.179  63.312  87.996
   45    HG3  PRO   6          2HG       PRO   6   2.459  62.731  86.306
   46    HD2  PRO   6          1HD       PRO   6  -0.111  63.567  87.711
   47    HD3  PRO   6          2HD       PRO   6   0.549  64.174  86.110
   48    H    ILE   7           H        ILE   7  -2.224  60.864  86.557
   49    HA   ILE   7           HA       ILE   7  -2.354  59.420  89.148
   50    HB   ILE   7           HB       ILE   7  -4.522  60.186  87.145
   51   HG12  ILE   7          1HG1      ILE   7  -3.716  61.453  89.774
   52   HG13  ILE   7          2HG1      ILE   7  -3.229  62.021  88.189
   53   HG21  ILE   7          1HG2      ILE   7  -6.102  59.677  89.026
   54   HG22  ILE   7          2HG2      ILE   7  -4.723  59.145  90.047
   55   HG23  ILE   7          3HG2      ILE   7  -5.206  58.229  88.611
   56   HD11  ILE   7          1HD1      ILE   7  -6.081  61.913  89.214
   57   HD12  ILE   7          2HD1      ILE   7  -5.619  62.411  87.595
   58   HD13  ILE   7          3HD1      ILE   7  -5.110  63.363  88.976
   59    H    ASP   8           H        ASP   8  -3.248  58.590  85.676
   60    HA   ASP   8           HA       ASP   8  -2.638  55.746  86.291
   61    HB2  ASP   8          1HB       ASP   8  -4.943  56.225  87.286
   62    HB3  ASP   8          2HB       ASP   8  -5.545  56.507  85.635
  Start of MODEL    5
    1    H1   ASP   1           H        ASP   1  -2.496  55.048  83.699
    2    HA   ASP   1           HA       ASP   1   0.451  54.469  83.904
    3    HB2  ASP   1          1HB       ASP   1  -0.978  52.496  83.052
    4    HB3  ASP   1          2HB       ASP   1  -1.185  53.450  81.573
    5    H    LEU   2           H        LEU   2  -1.646  56.869  83.479
    6    HA   LEU   2           HA       LEU   2  -0.842  57.848  80.768
    7    HB2  LEU   2          1HB       LEU   2  -2.304  59.182  83.083
    8    HB3  LEU   2          2HB       LEU   2  -1.988  59.907  81.518
    9    HG   LEU   2           HG       LEU   2  -3.808  57.538  82.024
   10   HD11  LEU   2          1HD1      LEU   2  -5.616  59.131  81.509
   11   HD12  LEU   2          2HD1      LEU   2  -4.426  60.450  81.307
   12   HD13  LEU   2          3HD1      LEU   2  -4.663  59.677  82.902
   13   HD21  LEU   2          1HD2      LEU   2  -2.655  57.707  79.655
   14   HD22  LEU   2          2HD2      LEU   2  -3.695  59.137  79.401
   15   HD23  LEU   2          3HD2      LEU   2  -4.406  57.542  79.708
   16    H    PHE   3           H        PHE   3   0.746  59.357  80.389
   17    HA   PHE   3           HA       PHE   3   2.784  59.782  82.431
   18    HB2  PHE   3          1HB       PHE   3   2.354  61.149  79.748
   19    HB3  PHE   3          2HB       PHE   3   3.678  61.493  80.841
   20    HD1  PHE   3           HD1      PHE   3   5.563  59.972  81.194
   21    HD2  PHE   3           HD2      PHE   3   2.236  59.036  78.520
   22    HE1  PHE   3           HE1      PHE   3   6.919  58.031  80.204
   23    HE2  PHE   3           HE2      PHE   3   3.565  57.173  77.523
   24    HZ   PHE   3           HZ       PHE   3   5.905  56.647  78.377
   25    H    VAL   4           H        VAL   4   0.345  61.969  80.907
   26    HA   VAL   4           HA       VAL   4   0.405  63.606  83.317
   27    HB   VAL   4           HB       VAL   4   0.438  64.776  80.504
   28   HG11  VAL   4          1HG1      VAL   4  -0.997  66.126  81.968
   29   HG12  VAL   4          2HG1      VAL   4   0.565  66.968  81.765
   30   HG13  VAL   4          3HG1      VAL   4   0.235  66.050  83.290
   31   HG21  VAL   4          1HG2      VAL   4   2.589  65.783  81.353
   32   HG22  VAL   4          2HG2      VAL   4   2.641  64.053  81.097
   33   HG23  VAL   4          3HG2      VAL   4   2.533  64.665  82.735
   34    HA   PRO   5           HA       PRO   5  -0.799  64.385  84.792
   35    HB2  PRO   5          1HB       PRO   5  -2.814  63.655  86.514
   36    HB3  PRO   5          2HB       PRO   5  -2.891  65.094  85.518
   37    HG2  PRO   5          1HG       PRO   5  -4.043  62.363  84.934
   38    HG3  PRO   5          2HG       PRO   5  -4.898  63.974  84.994
   39    HD2  PRO   5          1HD       PRO   5  -3.993  62.908  82.653
   40    HD3  PRO   5          2HD       PRO   5  -3.947  64.681  82.920
   41    HA   PRO   6           HA       PRO   6   0.592  60.282  85.682
   42    HB2  PRO   6          1HB       PRO   6   1.698  60.526  88.212
   43    HB3  PRO   6          2HB       PRO   6   2.420  61.259  86.752
   44    HG2  PRO   6          1HG       PRO   6   0.580  62.488  88.798
   45    HG3  PRO   6          2HG       PRO   6   2.148  63.103  88.175
   46    HD2  PRO   6          1HD       PRO   6  -0.335  63.976  87.203
   47    HD3  PRO   6          2HD       PRO   6   1.137  63.831  86.126
   48    H    ILE   7           H        ILE   7  -1.495  59.410  85.630
   49    HA   ILE   7           HA       ILE   7  -2.302  58.145  88.193
   50    HB   ILE   7           HB       ILE   7  -3.852  60.097  87.827
   51   HG12  ILE   7          1HG1      ILE   7  -5.170  57.426  87.417
   52   HG13  ILE   7          2HG1      ILE   7  -4.593  58.003  88.954
   53   HG21  ILE   7          1HG2      ILE   7  -4.723  58.647  85.274
   54   HG22  ILE   7          2HG2      ILE   7  -3.683  60.122  85.332
   55   HG23  ILE   7          3HG2      ILE   7  -5.357  60.182  85.939
   56   HD11  ILE   7          1HD1      ILE   7  -6.975  58.939  87.346
   57   HD12  ILE   7          2HD1      ILE   7  -6.278  59.981  88.593
   58   HD13  ILE   7          3HD1      ILE   7  -6.916  58.409  89.027
   59    H    ASP   8           H        ASP   8  -3.039  56.080  87.926
   60    HA   ASP   8           HA       ASP   8  -3.041  54.012  86.935
   61    HB2  ASP   8          1HB       ASP   8  -5.050  54.898  85.923
   62    HB3  ASP   8          2HB       ASP   8  -4.077  55.488  84.527
  Start of MODEL    6
    1    H1   ASP   1           H        ASP   1  -1.505  57.107  86.564
    2    HA   ASP   1           HA       ASP   1   0.330  56.215  85.560
    3    HB2  ASP   1          1HB       ASP   1  -0.983  54.100  85.958
    4    HB3  ASP   1          2HB       ASP   1  -1.418  54.136  84.226
    5    H    LEU   2           H        LEU   2  -1.646  58.088  83.985
    6    HA   LEU   2           HA       LEU   2  -0.634  57.683  81.181
    7    HB2  LEU   2          1HB       LEU   2  -2.019  60.019  82.589
    8    HB3  LEU   2          2HB       LEU   2  -1.671  59.962  80.871
    9    HG   LEU   2           HG       LEU   2  -3.602  58.167  82.416
   10   HD11  LEU   2          1HD1      LEU   2  -5.350  59.524  81.310
   11   HD12  LEU   2          2HD1      LEU   2  -4.098  60.568  80.604
   12   HD13  LEU   2          3HD1      LEU   2  -4.297  60.510  82.346
   13   HD21  LEU   2          1HD2      LEU   2  -2.830  57.003  80.449
   14   HD22  LEU   2          2HD2      LEU   2  -2.972  58.430  79.438
   15   HD23  LEU   2          3HD2      LEU   2  -4.429  57.604  80.051
   16    H    PHE   3           H        PHE   3   0.705  59.480  80.163
   17    HA   PHE   3           HA       PHE   3   2.994  60.115  81.791
   18    HB2  PHE   3          1HB       PHE   3   1.981  61.438  79.231
   19    HB3  PHE   3          2HB       PHE   3   3.495  61.847  80.027
   20    HD1  PHE   3           HD1      PHE   3   5.342  60.230  80.194
   21    HD2  PHE   3           HD2      PHE   3   1.822  59.428  77.796
   22    HE1  PHE   3           HE1      PHE   3   6.539  58.330  79.081
   23    HE2  PHE   3           HE2      PHE   3   2.963  57.617  76.612
   24    HZ   PHE   3           HZ       PHE   3   5.375  57.006  77.338
   25    H    VAL   4           H        VAL   4   0.184  62.072  80.774
   26    HA   VAL   4           HA       VAL   4   0.510  63.686  83.193
   27    HB   VAL   4           HB       VAL   4   0.276  64.808  80.349
   28   HG11  VAL   4          1HG1      VAL   4  -1.024  66.214  81.952
   29   HG12  VAL   4          2HG1      VAL   4   0.452  67.097  81.474
   30   HG13  VAL   4          3HG1      VAL   4   0.384  66.300  83.054
   31   HG21  VAL   4          1HG2      VAL   4   2.480  66.019  80.969
   32   HG22  VAL   4          2HG2      VAL   4   2.625  64.284  80.586
   33   HG23  VAL   4          3HG2      VAL   4   2.657  64.849  82.274
   34    HA   PRO   5           HA       PRO   5  -0.811  64.271  84.834
   35    HB2  PRO   5          1HB       PRO   5  -2.841  63.551  86.450
   36    HB3  PRO   5          2HB       PRO   5  -2.980  65.088  85.519
   37    HG2  PRO   5          1HG       PRO   5  -4.158  62.325  84.964
   38    HG3  PRO   5          2HG       PRO   5  -4.896  64.011  84.952
   39    HD2  PRO   5          1HD       PRO   5  -3.888  62.667  82.627
   40    HD3  PRO   5          2HD       PRO   5  -3.953  64.491  82.852
   41    HA   PRO   6           HA       PRO   6   0.397  60.135  85.639
   42    HB2  PRO   6          1HB       PRO   6   1.744  60.283  88.018
   43    HB3  PRO   6          2HB       PRO   6   2.366  61.084  86.497
   44    HG2  PRO   6          1HG       PRO   6   0.752  62.203  88.741
   45    HG3  PRO   6          2HG       PRO   6   2.238  62.852  87.983
   46    HD2  PRO   6          1HD       PRO   6  -0.100  63.893  87.293
   47    HD3  PRO   6          2HD       PRO   6   1.237  63.629  86.110
   48    H    ILE   7           H        ILE   7  -2.108  61.471  87.415
   49    HA   ILE   7           HA       ILE   7  -2.328  59.728  89.665
   50    HB   ILE   7           HB       ILE   7  -4.577  60.939  87.950
   51   HG12  ILE   7          1HG1      ILE   7  -3.005  62.646  88.735
   52   HG13  ILE   7          2HG1      ILE   7  -4.589  62.872  89.422
   53   HG21  ILE   7          1HG2      ILE   7  -5.479  59.240  89.491
   54   HG22  ILE   7          2HG2      ILE   7  -5.910  60.813  90.178
   55   HG23  ILE   7          3HG2      ILE   7  -4.555  59.876  90.860
   56   HD11  ILE   7          1HD1      ILE   7  -3.836  62.123  91.606
   57   HD12  ILE   7          2HD1      ILE   7  -2.298  61.584  90.926
   58   HD13  ILE   7          3HD1      ILE   7  -2.689  63.306  90.975
   59    H    ASP   8           H        ASP   8  -3.196  59.112  86.194
   60    HA   ASP   8           HA       ASP   8  -4.282  56.500  87.040
   61    HB2  ASP   8          1HB       ASP   8  -5.759  58.385  85.902
   62    HB3  ASP   8          2HB       ASP   8  -4.916  57.806  84.464
  Start of MODEL    7
    1    H1   ASP   1           H        ASP   1  -2.268  54.596  84.320
    2    HA   ASP   1           HA       ASP   1  -1.565  54.160  82.234
    3    HB2  ASP   1          1HB       ASP   1  -4.121  54.010  81.976
    4    HB3  ASP   1          2HB       ASP   1  -4.023  55.509  81.061
    5    H    LEU   2           H        LEU   2  -2.881  57.450  82.277
    6    HA   LEU   2           HA       LEU   2  -1.088  58.248  80.087
    7    HB2  LEU   2          1HB       LEU   2  -2.581  60.003  82.089
    8    HB3  LEU   2          2HB       LEU   2  -1.948  60.509  80.523
    9    HG   LEU   2           HG       LEU   2  -4.248  58.600  80.915
   10   HD11  LEU   2          1HD1      LEU   2  -4.164  61.495  80.063
   11   HD12  LEU   2          2HD1      LEU   2  -4.681  60.906  81.648
   12   HD13  LEU   2          3HD1      LEU   2  -5.614  60.481  80.196
   13   HD21  LEU   2          1HD2      LEU   2  -3.176  59.834  78.370
   14   HD22  LEU   2          2HD2      LEU   2  -4.695  58.962  78.494
   15   HD23  LEU   2          3HD2      LEU   2  -3.183  58.112  78.758
   16    H    PHE   3           H        PHE   3   0.657  59.629  80.097
   17    HA   PHE   3           HA       PHE   3   2.369  59.519  82.507
   18    HB2  PHE   3          1HB       PHE   3   3.032  59.522  79.962
   19    HB3  PHE   3          2HB       PHE   3   2.797  61.276  80.039
   20    HD1  PHE   3           HD1      PHE   3   4.414  62.649  81.431
   21    HD2  PHE   3           HD2      PHE   3   4.839  58.368  81.067
   22    HE1  PHE   3           HE1      PHE   3   6.719  62.799  82.404
   23    HE2  PHE   3           HE2      PHE   3   7.140  58.558  81.980
   24    HZ   PHE   3           HZ       PHE   3   8.085  60.783  82.664
   25    H    VAL   4           H        VAL   4   0.297  61.841  80.966
   26    HA   VAL   4           HA       VAL   4   0.444  63.524  83.370
   27    HB   VAL   4           HB       VAL   4   0.517  64.600  80.482
   28   HG11  VAL   4          1HG1      VAL   4   0.637  66.883  81.466
   29   HG12  VAL   4          2HG1      VAL   4   0.351  66.191  83.112
   30   HG13  VAL   4          3HG1      VAL   4  -0.899  66.078  81.823
   31   HG21  VAL   4          1HG2      VAL   4   2.622  64.709  82.711
   32   HG22  VAL   4          2HG2      VAL   4   2.678  65.662  81.185
   33   HG23  VAL   4          3HG2      VAL   4   2.723  63.904  81.127
   34    HA   PRO   5           HA       PRO   5  -1.090  64.511  84.835
   35    HB2  PRO   5          1HB       PRO   5  -3.059  63.356  86.399
   36    HB3  PRO   5          2HB       PRO   5  -3.265  64.890  85.546
   37    HG2  PRO   5          1HG       PRO   5  -4.093  62.094  84.704
   38    HG3  PRO   5          2HG       PRO   5  -5.066  63.628  84.718
   39    HD2  PRO   5          1HD       PRO   5  -3.890  62.687  82.457
   40    HD3  PRO   5          2HD       PRO   5  -3.970  64.492  82.825
   41    HA   PRO   6           HA       PRO   6   0.996  60.718  85.597
   42    HB2  PRO   6          1HB       PRO   6   2.109  61.035  88.014
   43    HB3  PRO   6          2HB       PRO   6   2.536  62.182  86.639
   44    HG2  PRO   6          1HG       PRO   6   0.570  62.583  88.865
   45    HG3  PRO   6          2HG       PRO   6   1.892  63.664  88.263
   46    HD2  PRO   6          1HD       PRO   6  -0.669  63.943  87.449
   47    HD3  PRO   6          2HD       PRO   6   0.716  64.297  86.351
   48    H    ILE   7           H        ILE   7  -1.768  60.266  86.019
   49    HA   ILE   7           HA       ILE   7  -1.604  58.151  88.026
   50    HB   ILE   7           HB       ILE   7  -2.479  59.969  89.393
   51   HG12  ILE   7          1HG1      ILE   7  -4.738  58.043  88.620
   52   HG13  ILE   7          2HG1      ILE   7  -3.335  57.602  89.600
   53   HG21  ILE   7          1HG2      ILE   7  -3.447  61.326  87.434
   54   HG22  ILE   7          2HG2      ILE   7  -4.556  61.193  88.808
   55   HG23  ILE   7          3HG2      ILE   7  -4.795  60.173  87.363
   56   HD11  ILE   7          1HD1      ILE   7  -4.074  59.348  91.300
   57   HD12  ILE   7          2HD1      ILE   7  -5.149  57.952  91.070
   58   HD13  ILE   7          3HD1      ILE   7  -5.573  59.520  90.391
   59    H    ASP   8           H        ASP   8  -2.653  56.340  87.256
   60    HA   ASP   8           HA       ASP   8  -3.657  54.929  85.851
   61    HB2  ASP   8          1HB       ASP   8  -5.606  56.121  86.894
   62    HB3  ASP   8          2HB       ASP   8  -5.732  57.088  85.441
  Start of MODEL    8
    1    H1   ASP   1           H        ASP   1  -1.917  54.761  84.883
    2    HA   ASP   1           HA       ASP   1  -1.308  54.223  82.779
    3    HB2  ASP   1          1HB       ASP   1  -4.051  54.446  82.882
    4    HB3  ASP   1          2HB       ASP   1  -3.688  55.500  81.500
    5    H    LEU   2           H        LEU   2  -2.559  57.544  82.695
    6    HA   LEU   2           HA       LEU   2  -1.016  58.271  80.342
    7    HB2  LEU   2          1HB       LEU   2  -2.742  59.771  82.348
    8    HB3  LEU   2          2HB       LEU   2  -1.875  60.597  81.082
    9    HG   LEU   2           HG       LEU   2  -3.828  58.338  80.531
   10   HD11  LEU   2          1HD1      LEU   2  -5.617  60.022  80.182
   11   HD12  LEU   2          2HD1      LEU   2  -4.483  61.353  80.554
   12   HD13  LEU   2          3HD1      LEU   2  -4.958  60.208  81.812
   13   HD21  LEU   2          1HD2      LEU   2  -3.963  59.375  78.375
   14   HD22  LEU   2          2HD2      LEU   2  -2.311  58.845  78.765
   15   HD23  LEU   2          3HD2      LEU   2  -2.760  60.570  78.841
   16    H    PHE   3           H        PHE   3   0.758  59.647  80.272
   17    HA   PHE   3           HA       PHE   3   2.438  59.680  82.619
   18    HB2  PHE   3          1HB       PHE   3   3.232  59.662  80.186
   19    HB3  PHE   3          2HB       PHE   3   2.870  61.379  80.134
   20    HD1  PHE   3           HD1      PHE   3   5.220  58.825  81.386
   21    HD2  PHE   3           HD2      PHE   3   4.175  62.972  81.514
   22    HE1  PHE   3           HE1      PHE   3   7.476  59.391  82.349
   23    HE2  PHE   3           HE2      PHE   3   6.379  63.542  82.505
   24    HZ   PHE   3           HZ       PHE   3   8.009  61.775  82.905
   25    H    VAL   4           H        VAL   4   0.329  61.980  80.911
   26    HA   VAL   4           HA       VAL   4   0.429  63.646  83.380
   27    HB   VAL   4           HB       VAL   4   0.250  64.738  80.548
   28   HG11  VAL   4          1HG1      VAL   4  -0.978  66.038  82.498
   29   HG12  VAL   4          2HG1      VAL   4   0.233  66.955  81.591
   30   HG13  VAL   4          3HG1      VAL   4   0.642  66.287  83.161
   31   HG21  VAL   4          1HG2      VAL   4   2.539  64.040  80.973
   32   HG22  VAL   4          2HG2      VAL   4   2.500  64.838  82.566
   33   HG23  VAL   4          3HG2      VAL   4   2.437  65.809  81.079
   34    HA   PRO   5           HA       PRO   5  -0.914  64.408  84.752
   35    HB2  PRO   5          1HB       PRO   5  -2.904  63.719  86.461
   36    HB3  PRO   5          2HB       PRO   5  -3.063  65.133  85.332
   37    HG2  PRO   5          1HG       PRO   5  -4.009  62.271  85.036
   38    HG3  PRO   5          2HG       PRO   5  -4.959  63.769  84.871
   39    HD2  PRO   5          1HD       PRO   5  -3.928  62.474  82.681
   40    HD3  PRO   5          2HD       PRO   5  -4.002  64.230  82.734
   41    HA   PRO   6           HA       PRO   6   0.602  60.334  85.506
   42    HB2  PRO   6          1HB       PRO   6   2.351  60.669  87.536
   43    HB3  PRO   6          2HB       PRO   6   2.556  61.521  86.023
   44    HG2  PRO   6          1HG       PRO   6   1.296  62.522  88.538
   45    HG3  PRO   6          2HG       PRO   6   2.606  63.243  87.569
   46    HD2  PRO   6          1HD       PRO   6  -0.013  64.044  87.186
   47    HD3  PRO   6          2HD       PRO   6   1.097  63.958  85.837
   48    H    ILE   7           H        ILE   7  -2.007  60.486  86.439
   49    HA   ILE   7           HA       ILE   7  -1.936  59.549  89.249
   50    HB   ILE   7           HB       ILE   7  -4.329  60.037  87.416
   51   HG12  ILE   7          1HG1      ILE   7  -3.130  62.164  87.850
   52   HG13  ILE   7          2HG1      ILE   7  -4.713  62.085  88.657
   53   HG21  ILE   7          1HG2      ILE   7  -4.791  58.343  89.289
   54   HG22  ILE   7          2HG2      ILE   7  -5.725  59.835  89.439
   55   HG23  ILE   7          3HG2      ILE   7  -4.307  59.560  90.477
   56   HD11  ILE   7          1HD1      ILE   7  -3.657  61.734  90.864
   57   HD12  ILE   7          2HD1      ILE   7  -2.958  63.184  90.092
   58   HD13  ILE   7          3HD1      ILE   7  -2.037  61.657  90.069
   59    H    ASP   8           H        ASP   8  -3.269  58.503  86.061
   60    HA   ASP   8           HA       ASP   8  -2.405  55.747  86.673
   61    HB2  ASP   8          1HB       ASP   8  -4.729  56.095  87.690
   62    HB3  ASP   8          2HB       ASP   8  -5.319  56.318  86.049
  Start of MODEL    9
    1    H1   ASP   1           H        ASP   1  -2.909  54.670  84.160
    2    HA   ASP   1           HA       ASP   1  -0.058  54.667  83.520
    3    HB2  ASP   1          1HB       ASP   1  -1.768  52.786  83.376
    4    HB3  ASP   1          2HB       ASP   1  -2.430  53.579  81.934
    5    H    LEU   2           H        LEU   2  -0.678  57.198  83.458
    6    HA   LEU   2           HA       LEU   2  -0.736  57.989  80.545
    7    HB2  LEU   2          1HB       LEU   2  -2.113  59.317  82.968
    8    HB3  LEU   2          2HB       LEU   2  -1.839  60.118  81.445
    9    HG   LEU   2           HG       LEU   2  -3.499  57.646  81.856
   10   HD11  LEU   2          1HD1      LEU   2  -5.451  59.129  81.742
   11   HD12  LEU   2          2HD1      LEU   2  -4.436  60.534  81.363
   12   HD13  LEU   2          3HD1      LEU   2  -4.367  59.773  82.965
   13   HD21  LEU   2          1HD2      LEU   2  -2.626  57.774  79.657
   14   HD22  LEU   2          2HD2      LEU   2  -3.247  59.448  79.466
   15   HD23  LEU   2          3HD2      LEU   2  -4.373  58.061  79.682
   16    H    PHE   3           H        PHE   3   0.756  59.509  80.077
   17    HA   PHE   3           HA       PHE   3   2.959  59.940  81.892
   18    HB2  PHE   3          1HB       PHE   3   3.140  59.984  79.398
   19    HB3  PHE   3          2HB       PHE   3   2.201  61.480  79.353
   20    HD1  PHE   3           HD1      PHE   3   3.164  63.588  79.556
   21    HD2  PHE   3           HD2      PHE   3   5.434  60.071  80.742
   22    HE1  PHE   3           HE1      PHE   3   5.192  64.995  79.900
   23    HE2  PHE   3           HE2      PHE   3   7.389  61.471  81.079
   24    HZ   PHE   3           HZ       PHE   3   7.318  63.931  80.633
   25    H    VAL   4           H        VAL   4   0.214  62.023  80.749
   26    HA   VAL   4           HA       VAL   4   0.428  63.418  83.342
   27    HB   VAL   4           HB       VAL   4   1.845  64.825  81.897
   28   HG11  VAL   4          1HG1      VAL   4   0.928  64.037  79.691
   29   HG12  VAL   4          2HG1      VAL   4   1.103  65.793  79.805
   30   HG13  VAL   4          3HG1      VAL   4  -0.491  65.081  79.925
   31   HG21  VAL   4          1HG2      VAL   4  -0.988  66.020  82.349
   32   HG22  VAL   4          2HG2      VAL   4   0.496  66.948  81.917
   33   HG23  VAL   4          3HG2      VAL   4   0.443  66.038  83.459
   34    HA   PRO   5           HA       PRO   5  -0.861  64.408  84.800
   35    HB2  PRO   5          1HB       PRO   5  -2.887  63.711  86.472
   36    HB3  PRO   5          2HB       PRO   5  -2.971  65.188  85.409
   37    HG2  PRO   5          1HG       PRO   5  -4.036  62.379  84.980
   38    HG3  PRO   5          2HG       PRO   5  -4.928  63.926  84.875
   39    HD2  PRO   5          1HD       PRO   5  -3.977  62.686  82.632
   40    HD3  PRO   5          2HD       PRO   5  -3.920  64.462  82.781
   41    HA   PRO   6           HA       PRO   6   0.446  60.252  85.640
   42    HB2  PRO   6          1HB       PRO   6   1.959  60.526  87.873
   43    HB3  PRO   6          2HB       PRO   6   2.407  61.338  86.403
   44    HG2  PRO   6          1HG       PRO   6   0.908  62.436  88.749
   45    HG3  PRO   6          2HG       PRO   6   2.339  63.095  87.946
   46    HD2  PRO   6          1HD       PRO   6  -0.135  64.000  87.230
   47    HD3  PRO   6          2HD       PRO   6   1.133  63.826  86.022
   48    H    ILE   7           H        ILE   7  -2.232  60.599  86.332
   49    HA   ILE   7           HA       ILE   7  -2.605  59.752  89.110
   50    HB   ILE   7           HB       ILE   7  -4.065  61.435  87.858
   51   HG12  ILE   7          1HG1      ILE   7  -5.426  59.094  89.221
   52   HG13  ILE   7          2HG1      ILE   7  -4.590  60.409  90.033
   53   HG21  ILE   7          1HG2      ILE   7  -5.783  60.710  86.376
   54   HG22  ILE   7          2HG2      ILE   7  -5.520  58.977  86.782
   55   HG23  ILE   7          3HG2      ILE   7  -4.311  59.870  85.810
   56   HD11  ILE   7          1HD1      ILE   7  -6.872  61.003  90.188
   57   HD12  ILE   7          2HD1      ILE   7  -7.223  60.557  88.509
   58   HD13  ILE   7          3HD1      ILE   7  -6.241  62.022  88.844
   59    H    ASP   8           H        ASP   8  -2.262  58.355  85.975
   60    HA   ASP   8           HA       ASP   8  -2.649  55.628  87.024
   61    HB2  ASP   8          1HB       ASP   8  -4.949  56.610  86.322
   62    HB3  ASP   8          2HB       ASP   8  -4.297  56.487  84.689
  Start of MODEL   10
    1    H1   ASP   1           H        ASP   1  -1.345  53.592  84.562
    2    HA   ASP   1           HA       ASP   1  -1.247  53.513  82.323
    3    HB2  ASP   1          1HB       ASP   1  -3.748  52.881  82.963
    4    HB3  ASP   1          2HB       ASP   1  -4.085  54.275  81.954
    5    H    LEU   2           H        LEU   2  -1.078  56.364  83.634
    6    HA   LEU   2           HA       LEU   2  -0.993  57.588  80.939
    7    HB2  LEU   2          1HB       LEU   2  -3.056  58.170  82.843
    8    HB3  LEU   2          2HB       LEU   2  -2.066  59.623  82.691
    9    HG   LEU   2           HG       LEU   2  -3.231  58.184  80.279
   10   HD11  LEU   2          1HD1      LEU   2  -4.913  59.955  80.294
   11   HD12  LEU   2          2HD1      LEU   2  -4.238  60.660  81.791
   12   HD13  LEU   2          3HD1      LEU   2  -4.989  59.054  81.762
   13   HD21  LEU   2          1HD2      LEU   2  -2.773  60.643  79.416
   14   HD22  LEU   2          2HD2      LEU   2  -1.434  59.498  79.532
   15   HD23  LEU   2          3HD2      LEU   2  -1.670  60.751  80.808
   16    H    PHE   3           H        PHE   3   0.196  59.542  80.740
   17    HA   PHE   3           HA       PHE   3   2.483  59.664  82.691
   18    HB2  PHE   3          1HB       PHE   3   1.988  60.878  79.934
   19    HB3  PHE   3          2HB       PHE   3   3.453  61.188  80.913
   20    HD1  PHE   3           HD1      PHE   3   1.686  58.755  78.763
   21    HD2  PHE   3           HD2      PHE   3   5.109  59.412  81.278
   22    HE1  PHE   3           HE1      PHE   3   2.820  56.703  77.888
   23    HE2  PHE   3           HE2      PHE   3   6.183  57.432  80.415
   24    HZ   PHE   3           HZ       PHE   3   5.067  56.044  78.664
   25    H    VAL   4           H        VAL   4   0.163  61.861  81.000
   26    HA   VAL   4           HA       VAL   4   0.441  63.655  83.357
   27    HB   VAL   4           HB       VAL   4   0.473  64.583  80.449
   28   HG11  VAL   4          1HG1      VAL   4   0.778  66.263  83.012
   29   HG12  VAL   4          2HG1      VAL   4  -0.742  66.061  82.106
   30   HG13  VAL   4          3HG1      VAL   4   0.667  66.823  81.308
   31   HG21  VAL   4          1HG2      VAL   4   2.674  63.655  81.130
   32   HG22  VAL   4          2HG2      VAL   4   2.725  64.725  82.515
   33   HG23  VAL   4          3HG2      VAL   4   2.781  65.368  80.843
   34    HA   PRO   5           HA       PRO   5  -0.991  64.378  84.901
   35    HB2  PRO   5          1HB       PRO   5  -2.926  63.286  86.421
   36    HB3  PRO   5          2HB       PRO   5  -3.210  64.858  85.557
   37    HG2  PRO   5          1HG       PRO   5  -3.957  62.096  84.656
   38    HG3  PRO   5          2HG       PRO   5  -4.994  63.546  84.830
   39    HD2  PRO   5          1HD       PRO   5  -3.959  62.829  82.454
   40    HD3  PRO   5          2HD       PRO   5  -3.943  64.553  82.925
   41    HA   PRO   6           HA       PRO   6   0.837  60.428  85.683
   42    HB2  PRO   6          1HB       PRO   6   1.841  60.737  88.180
   43    HB3  PRO   6          2HB       PRO   6   2.581  61.639  86.796
   44    HG2  PRO   6          1HG       PRO   6   0.640  62.598  88.826
   45    HG3  PRO   6          2HG       PRO   6   2.162  63.403  88.193
   46    HD2  PRO   6          1HD       PRO   6  -0.382  64.020  87.308
   47    HD3  PRO   6          2HD       PRO   6   1.000  64.096  86.195
   48    H    ILE   7           H        ILE   7  -1.124  59.325  85.603
   49    HA   ILE   7           HA       ILE   7  -1.954  58.324  88.307
   50    HB   ILE   7           HB       ILE   7  -4.307  58.128  87.508
   51   HG12  ILE   7          1HG1      ILE   7  -3.417  59.760  85.114
   52   HG13  ILE   7          2HG1      ILE   7  -3.846  58.046  85.052
   53   HG21  ILE   7          1HG2      ILE   7  -3.754  60.020  88.899
   54   HG22  ILE   7          2HG2      ILE   7  -4.952  60.525  87.681
   55   HG23  ILE   7          3HG2      ILE   7  -3.239  60.946  87.455
   56   HD11  ILE   7          1HD1      ILE   7  -5.567  60.476  85.477
   57   HD12  ILE   7          2HD1      ILE   7  -6.120  58.810  85.910
   58   HD13  ILE   7          3HD1      ILE   7  -5.694  59.204  84.242
   59    H    ASP   8           H        ASP   8  -3.392  56.197  87.717
   60    HA   ASP   8           HA       ASP   8  -1.486  54.413  86.560
   61    HB2  ASP   8          1HB       ASP   8  -3.424  53.861  88.227
   62    HB3  ASP   8          2HB       ASP   8  -4.516  53.893  86.836
  Start of MODEL   11
    1    H1   ASP   1           H        ASP   1  -2.859  56.171  84.589
    2    HA   ASP   1           HA       ASP   1  -1.535  53.999  82.949
    3    HB2  ASP   1          1HB       ASP   1  -3.972  53.853  82.877
    4    HB3  ASP   1          2HB       ASP   1  -4.068  55.548  82.327
    5    H    LEU   2           H        LEU   2  -2.402  57.445  83.214
    6    HA   LEU   2           HA       LEU   2  -0.919  58.074  80.777
    7    HB2  LEU   2          1HB       LEU   2  -2.518  59.885  82.599
    8    HB3  LEU   2          2HB       LEU   2  -1.742  60.382  81.128
    9    HG   LEU   2           HG       LEU   2  -4.023  58.398  81.237
   10   HD11  LEU   2          1HD1      LEU   2  -4.764  60.646  81.954
   11   HD12  LEU   2          2HD1      LEU   2  -5.255  60.472  80.264
   12   HD13  LEU   2          3HD1      LEU   2  -3.806  61.448  80.690
   13   HD21  LEU   2          1HD2      LEU   2  -4.155  58.624  78.893
   14   HD22  LEU   2          2HD2      LEU   2  -2.463  58.217  79.246
   15   HD23  LEU   2          3HD2      LEU   2  -2.940  59.920  78.818
   16    H    PHE   3           H        PHE   3   0.780  59.459  80.594
   17    HA   PHE   3           HA       PHE   3   2.535  59.609  82.875
   18    HB2  PHE   3          1HB       PHE   3   3.260  59.317  80.504
   19    HB3  PHE   3          2HB       PHE   3   2.730  60.999  80.136
   20    HD1  PHE   3           HD1      PHE   3   5.264  59.022  82.149
   21    HD2  PHE   3           HD2      PHE   3   3.991  62.944  80.722
   22    HE1  PHE   3           HE1      PHE   3   7.377  60.038  82.965
   23    HE2  PHE   3           HE2      PHE   3   6.116  63.862  81.549
   24    HZ   PHE   3           HZ       PHE   3   7.834  62.423  82.684
   25    H    VAL   4           H        VAL   4   0.310  61.738  81.159
   26    HA   VAL   4           HA       VAL   4   0.391  63.704  83.350
   27    HB   VAL   4           HB       VAL   4   1.870  64.698  81.863
   28   HG11  VAL   4          1HG1      VAL   4  -0.048  64.196  79.530
   29   HG12  VAL   4          2HG1      VAL   4   1.455  63.302  79.873
   30   HG13  VAL   4          3HG1      VAL   4   1.511  65.025  79.479
   31   HG21  VAL   4          1HG2      VAL   4  -0.867  65.977  81.235
   32   HG22  VAL   4          2HG2      VAL   4   0.719  66.796  81.242
   33   HG23  VAL   4          3HG2      VAL   4   0.018  66.179  82.752
   34    HA   PRO   5           HA       PRO   5  -0.917  64.430  84.794
   35    HB2  PRO   5          1HB       PRO   5  -2.928  63.585  86.429
   36    HB3  PRO   5          2HB       PRO   5  -3.080  65.103  85.443
   37    HG2  PRO   5          1HG       PRO   5  -4.189  62.358  84.765
   38    HG3  PRO   5          2HG       PRO   5  -5.007  63.992  84.807
   39    HD2  PRO   5          1HD       PRO   5  -3.952  62.797  82.581
   40    HD3  PRO   5          2HD       PRO   5  -3.936  64.558  82.773
   41    HA   PRO   6           HA       PRO   6   1.037  60.494  85.535
   42    HB2  PRO   6          1HB       PRO   6   1.329  61.129  88.443
   43    HB3  PRO   6          2HB       PRO   6   2.589  60.924  87.251
   44    HG2  PRO   6          1HG       PRO   6   1.961  63.287  88.281
   45    HG3  PRO   6          2HG       PRO   6   2.375  63.103  86.546
   46    HD2  PRO   6          1HD       PRO   6  -0.326  63.347  87.810
   47    HD3  PRO   6          2HD       PRO   6   0.317  64.221  86.398
   48    H    ILE   7           H        ILE   7  -1.976  60.362  86.141
   49    HA   ILE   7           HA       ILE   7  -1.925  58.548  88.464
   50    HB   ILE   7           HB       ILE   7  -4.311  59.821  87.051
   51   HG12  ILE   7          1HG1      ILE   7  -3.162  60.408  89.849
   52   HG13  ILE   7          2HG1      ILE   7  -2.805  61.380  88.407
   53   HG21  ILE   7          1HG2      ILE   7  -4.879  57.642  88.091
   54   HG22  ILE   7          2HG2      ILE   7  -5.715  58.964  88.923
   55   HG23  ILE   7          3HG2      ILE   7  -4.245  58.222  89.668
   56   HD11  ILE   7          1HD1      ILE   7  -5.380  61.761  88.208
   57   HD12  ILE   7          2HD1      ILE   7  -4.575  62.583  89.618
   58   HD13  ILE   7          3HD1      ILE   7  -5.487  61.064  89.840
   59    H    ASP   8           H        ASP   8  -1.530  56.503  88.015
   60    HA   ASP   8           HA       ASP   8  -1.935  54.355  87.531
   61    HB2  ASP   8          1HB       ASP   8  -4.296  55.284  87.930
   62    HB3  ASP   8          2HB       ASP   8  -4.494  55.036  86.163
  Start of MODEL   12
    1    H1   ASP   1           H        ASP   1  -2.488  54.813  84.014
    2    HA   ASP   1           HA       ASP   1   0.135  53.911  82.973
    3    HB2  ASP   1          1HB       ASP   1  -2.671  53.864  81.795
    4    HB3  ASP   1          2HB       ASP   1  -1.199  53.386  80.918
    5    H    LEU   2           H        LEU   2  -1.900  56.649  83.326
    6    HA   LEU   2           HA       LEU   2  -0.942  58.019  80.907
    7    HB2  LEU   2          1HB       LEU   2  -2.529  58.913  83.312
    8    HB3  LEU   2          2HB       LEU   2  -2.099  59.971  81.983
    9    HG   LEU   2           HG       LEU   2  -3.899  57.530  81.725
   10   HD11  LEU   2          1HD1      LEU   2  -4.821  59.182  83.219
   11   HD12  LEU   2          2HD1      LEU   2  -5.709  59.160  81.680
   12   HD13  LEU   2          3HD1      LEU   2  -4.540  60.480  82.016
   13   HD21  LEU   2          1HD2      LEU   2  -4.546  58.674  79.538
   14   HD22  LEU   2          2HD2      LEU   2  -2.843  58.218  79.555
   15   HD23  LEU   2          3HD2      LEU   2  -3.314  59.907  79.810
   16    H    PHE   3           H        PHE   3   0.689  59.176  80.750
   17    HA   PHE   3           HA       PHE   3   2.506  59.614  82.926
   18    HB2  PHE   3          1HB       PHE   3   2.455  61.043  80.185
   19    HB3  PHE   3          2HB       PHE   3   3.848  60.843  81.258
   20    HD1  PHE   3           HD1      PHE   3   2.035  59.586  78.453
   21    HD2  PHE   3           HD2      PHE   3   4.538  58.275  81.718
   22    HE1  PHE   3           HE1      PHE   3   2.550  57.473  77.222
   23    HE2  PHE   3           HE2      PHE   3   5.112  56.252  80.508
   24    HZ   PHE   3           HZ       PHE   3   4.106  55.827  78.220
   25    H    VAL   4           H        VAL   4   0.236  61.717  81.065
   26    HA   VAL   4           HA       VAL   4   0.439  63.776  83.221
   27    HB   VAL   4           HB       VAL   4   0.455  64.349  80.191
   28   HG11  VAL   4          1HG1      VAL   4   0.292  66.211  82.650
   29   HG12  VAL   4          2HG1      VAL   4  -0.887  66.094  81.332
   30   HG13  VAL   4          3HG1      VAL   4   0.704  66.797  81.025
   31   HG21  VAL   4          1HG2      VAL   4   2.544  64.772  82.393
   32   HG22  VAL   4          2HG2      VAL   4   2.677  65.406  80.728
   33   HG23  VAL   4          3HG2      VAL   4   2.682  63.667  81.018
   34    HA   PRO   5           HA       PRO   5  -0.915  64.416  84.866
   35    HB2  PRO   5          1HB       PRO   5  -2.889  63.460  86.437
   36    HB3  PRO   5          2HB       PRO   5  -3.084  64.999  85.594
   37    HG2  PRO   5          1HG       PRO   5  -4.001  62.248  84.786
   38    HG3  PRO   5          2HG       PRO   5  -4.975  63.794  84.851
   39    HD2  PRO   5          1HD       PRO   5  -3.953  62.833  82.555
   40    HD3  PRO   5          2HD       PRO   5  -3.903  64.612  82.914
   41    HA   PRO   6           HA       PRO   6   0.756  60.388  85.664
   42    HB2  PRO   6          1HB       PRO   6   1.649  60.484  88.211
   43    HB3  PRO   6          2HB       PRO   6   2.420  61.446  86.935
   44    HG2  PRO   6          1HG       PRO   6   0.285  62.320  88.925
   45    HG3  PRO   6          2HG       PRO   6   1.831  63.087  88.537
   46    HD2  PRO   6          1HD       PRO   6  -0.513  63.899  87.383
   47    HD3  PRO   6          2HD       PRO   6   1.032  63.908  86.480
   48    H    ILE   7           H        ILE   7  -1.341  59.318  85.437
   49    HA   ILE   7           HA       ILE   7  -2.294  58.165  87.997
   50    HB   ILE   7           HB       ILE   7  -4.156  58.984  85.738
   51   HG12  ILE   7          1HG1      ILE   7  -3.874  60.203  88.508
   52   HG13  ILE   7          2HG1      ILE   7  -3.226  60.947  87.056
   53   HG21  ILE   7          1HG2      ILE   7  -5.990  58.282  87.270
   54   HG22  ILE   7          2HG2      ILE   7  -4.782  57.867  88.528
   55   HG23  ILE   7          3HG2      ILE   7  -4.897  56.920  87.014
   56   HD11  ILE   7          1HD1      ILE   7  -5.664  60.870  86.198
   57   HD12  ILE   7          2HD1      ILE   7  -5.279  62.038  87.456
   58   HD13  ILE   7          3HD1      ILE   7  -6.110  60.550  87.904
   59    H    ASP   8           H        ASP   8  -1.630  56.158  87.868
   60    HA   ASP   8           HA       ASP   8  -1.115  54.099  87.226
   61    HB2  ASP   8          1HB       ASP   8  -3.676  54.375  85.602
   62    HB3  ASP   8          2HB       ASP   8  -2.835  52.843  85.909
  Start of MODEL   13
    1    H1   ASP   1           H        ASP   1  -3.170  54.734  83.972
    2    HA   ASP   1           HA       ASP   1  -1.283  53.450  82.188
    3    HB2  ASP   1          1HB       ASP   1  -3.903  53.274  82.248
    4    HB3  ASP   1          2HB       ASP   1  -3.888  54.796  81.334
    5    H    LEU   2           H        LEU   2  -1.530  56.649  83.164
    6    HA   LEU   2           HA       LEU   2   0.163  57.368  80.870
    7    HB2  LEU   2          1HB       LEU   2  -0.962  59.120  79.956
    8    HB3  LEU   2          2HB       LEU   2  -2.231  57.922  80.219
    9    HG   LEU   2           HG       LEU   2  -1.721  60.313  82.004
   10   HD11  LEU   2          1HD1      LEU   2  -3.693  59.738  79.757
   11   HD12  LEU   2          2HD1      LEU   2  -2.396  60.916  79.720
   12   HD13  LEU   2          3HD1      LEU   2  -3.758  61.184  80.804
   13   HD21  LEU   2          1HD2      LEU   2  -2.962  58.550  83.259
   14   HD22  LEU   2          2HD2      LEU   2  -4.040  58.268  81.894
   15   HD23  LEU   2          3HD2      LEU   2  -4.124  59.816  82.809
   16    H    PHE   3           H        PHE   3   1.222  59.516  81.106
   17    HA   PHE   3           HA       PHE   3   1.821  59.887  84.035
   18    HB2  PHE   3          1HB       PHE   3   3.518  60.426  81.625
   19    HB3  PHE   3          2HB       PHE   3   3.945  60.818  83.288
   20    HD1  PHE   3           HD1      PHE   3   3.390  57.999  80.854
   21    HD2  PHE   3           HD2      PHE   3   4.751  59.167  84.809
   22    HE1  PHE   3           HE1      PHE   3   4.346  55.820  81.139
   23    HE2  PHE   3           HE2      PHE   3   5.700  56.846  85.117
   24    HZ   PHE   3           HZ       PHE   3   5.514  55.178  83.269
   25    H    VAL   4           H        VAL   4   0.139  61.425  81.642
   26    HA   VAL   4           HA       VAL   4   0.445  63.983  83.097
   27    HB   VAL   4           HB       VAL   4   1.914  64.345  81.240
   28   HG11  VAL   4          1HG1      VAL   4  -0.292  63.577  79.287
   29   HG12  VAL   4          2HG1      VAL   4   1.087  62.539  79.745
   30   HG13  VAL   4          3HG1      VAL   4   1.373  64.077  78.897
   31   HG21  VAL   4          1HG2      VAL   4  -0.748  65.677  80.585
   32   HG22  VAL   4          2HG2      VAL   4   0.836  66.252  80.118
   33   HG23  VAL   4          3HG2      VAL   4   0.390  66.218  81.809
   34    HA   PRO   5           HA       PRO   5  -0.789  64.379  84.775
   35    HB2  PRO   5          1HB       PRO   5  -2.813  63.593  86.465
   36    HB3  PRO   5          2HB       PRO   5  -2.849  65.128  85.567
   37    HG2  PRO   5          1HG       PRO   5  -4.125  62.512  84.922
   38    HG3  PRO   5          2HG       PRO   5  -4.816  64.126  84.881
   39    HD2  PRO   5          1HD       PRO   5  -3.983  62.855  82.685
   40    HD3  PRO   5          2HD       PRO   5  -3.854  64.658  82.852
   41    HA   PRO   6           HA       PRO   6   0.718  60.309  85.553
   42    HB2  PRO   6          1HB       PRO   6   1.703  60.421  88.085
   43    HB3  PRO   6          2HB       PRO   6   2.435  61.368  86.769
   44    HG2  PRO   6          1HG       PRO   6   0.459  62.259  88.870
   45    HG3  PRO   6          2HG       PRO   6   2.007  63.024  88.375
   46    HD2  PRO   6          1HD       PRO   6  -0.386  63.850  87.297
   47    HD3  PRO   6          2HD       PRO   6   1.105  63.832  86.292
   48    H    ILE   7           H        ILE   7  -1.411  59.276  85.350
   49    HA   ILE   7           HA       ILE   7  -2.174  57.993  87.955
   50    HB   ILE   7           HB       ILE   7  -4.268  58.901  85.890
   51   HG12  ILE   7          1HG1      ILE   7  -3.816  60.094  88.655
   52   HG13  ILE   7          2HG1      ILE   7  -3.312  60.870  87.149
   53   HG21  ILE   7          1HG2      ILE   7  -4.795  57.902  88.739
   54   HG22  ILE   7          2HG2      ILE   7  -4.724  56.810  87.363
   55   HG23  ILE   7          3HG2      ILE   7  -5.939  58.075  87.407
   56   HD11  ILE   7          1HD1      ILE   7  -5.456  61.884  87.887
   57   HD12  ILE   7          2HD1      ILE   7  -6.236  60.267  88.019
   58   HD13  ILE   7          3HD1      ILE   7  -5.791  60.950  86.398
   59    H    ASP   8           H        ASP   8  -1.184  56.093  87.473
   60    HA   ASP   8           HA       ASP   8  -0.853  54.046  86.638
   61    HB2  ASP   8          1HB       ASP   8  -3.224  53.881  87.411
   62    HB3  ASP   8          2HB       ASP   8  -3.759  54.359  85.801
  Start of MODEL   14
    1    H1   ASP   1           H        ASP   1  -2.495  54.554  83.035
    2    HA   ASP   1           HA       ASP   1   0.482  54.450  83.435
    3    HB2  ASP   1          1HB       ASP   1  -0.947  52.356  82.683
    4    HB3  ASP   1          2HB       ASP   1  -1.037  53.150  81.141
    5    H    LEU   2           H        LEU   2  -1.142  56.777  83.220
    6    HA   LEU   2           HA       LEU   2  -0.849  57.680  80.438
    7    HB2  LEU   2          1HB       LEU   2  -1.948  59.159  82.858
    8    HB3  LEU   2          2HB       LEU   2  -1.938  59.801  81.216
    9    HG   LEU   2           HG       LEU   2  -3.509  57.357  82.240
   10   HD11  LEU   2          1HD1      LEU   2  -5.517  58.754  81.946
   11   HD12  LEU   2          2HD1      LEU   2  -4.547  60.039  81.129
   12   HD13  LEU   2          3HD1      LEU   2  -4.328  59.724  82.886
   13   HD21  LEU   2          1HD2      LEU   2  -4.623  57.544  79.977
   14   HD22  LEU   2          2HD2      LEU   2  -2.969  56.851  79.989
   15   HD23  LEU   2          3HD2      LEU   2  -3.249  58.565  79.452
   16    H    PHE   3           H        PHE   3   0.352  59.572  79.895
   17    HA   PHE   3           HA       PHE   3   2.812  59.829  81.455
   18    HB2  PHE   3          1HB       PHE   3   2.193  60.254  78.845
   19    HB3  PHE   3          2HB       PHE   3   2.101  61.901  79.358
   20    HD1  PHE   3           HD1      PHE   3   4.302  58.944  79.084
   21    HD2  PHE   3           HD2      PHE   3   4.173  63.165  79.893
   22    HE1  PHE   3           HE1      PHE   3   6.767  59.017  78.943
   23    HE2  PHE   3           HE2      PHE   3   6.615  63.255  79.568
   24    HZ   PHE   3           HZ       PHE   3   7.923  61.236  79.167
   25    H    VAL   4           H        VAL   4   0.124  62.069  80.617
   26    HA   VAL   4           HA       VAL   4   0.481  63.409  83.253
   27    HB   VAL   4           HB       VAL   4   0.318  64.902  80.566
   28   HG11  VAL   4          1HG1      VAL   4   0.502  66.929  81.860
   29   HG12  VAL   4          2HG1      VAL   4   0.568  66.032  83.386
   30   HG13  VAL   4          3HG1      VAL   4  -0.917  65.977  82.366
   31   HG21  VAL   4          1HG2      VAL   4   2.573  63.958  81.023
   32   HG22  VAL   4          2HG2      VAL   4   2.653  64.885  82.534
   33   HG23  VAL   4          3HG2      VAL   4   2.577  65.719  80.971
   34    HA   PRO   5           HA       PRO   5  -0.898  64.461  84.875
   35    HB2  PRO   5          1HB       PRO   5  -2.968  63.779  86.444
   36    HB3  PRO   5          2HB       PRO   5  -3.145  65.170  85.316
   37    HG2  PRO   5          1HG       PRO   5  -4.133  62.359  84.911
   38    HG3  PRO   5          2HG       PRO   5  -4.997  63.919  84.758
   39    HD2  PRO   5          1HD       PRO   5  -3.831  62.608  82.630
   40    HD3  PRO   5          2HD       PRO   5  -3.911  64.399  82.683
   41    HA   PRO   6           HA       PRO   6   0.586  60.499  85.915
   42    HB2  PRO   6          1HB       PRO   6   1.403  60.782  88.488
   43    HB3  PRO   6          2HB       PRO   6   2.151  61.698  87.134
   44    HG2  PRO   6          1HG       PRO   6  -0.034  62.574  89.047
   45    HG3  PRO   6          2HG       PRO   6   1.526  63.438  88.702
   46    HD2  PRO   6          1HD       PRO   6  -0.765  64.079  87.399
   47    HD3  PRO   6          2HD       PRO   6   0.797  64.049  86.535
   48    H    ILE   7           H        ILE   7  -1.404  59.277  85.611
   49    HA   ILE   7           HA       ILE   7  -2.339  58.022  88.122
   50    HB   ILE   7           HB       ILE   7  -3.940  60.030  87.732
   51   HG12  ILE   7          1HG1      ILE   7  -5.237  57.317  87.369
   52   HG13  ILE   7          2HG1      ILE   7  -4.609  57.901  88.892
   53   HG21  ILE   7          1HG2      ILE   7  -5.404  60.111  85.791
   54   HG22  ILE   7          2HG2      ILE   7  -4.931  58.477  85.267
   55   HG23  ILE   7          3HG2      ILE   7  -3.792  59.818  85.123
   56   HD11  ILE   7          1HD1      ILE   7  -6.943  58.355  88.904
   57   HD12  ILE   7          2HD1      ILE   7  -6.880  59.161  87.316
   58   HD13  ILE   7          3HD1      ILE   7  -6.099  59.896  88.725
   59    H    ASP   8           H        ASP   8  -3.356  55.918  87.375
   60    HA   ASP   8           HA       ASP   8  -3.126  53.994  86.167
   61    HB2  ASP   8          1HB       ASP   8  -5.081  55.158  85.155
   62    HB3  ASP   8          2HB       ASP   8  -4.030  55.852  83.927
  Start of MODEL   15
    1    H1   ASP   1           H        ASP   1  -2.750  55.070  82.855
    2    HA   ASP   1           HA       ASP   1   0.197  54.489  83.228
    3    HB2  ASP   1          1HB       ASP   1  -1.353  52.675  82.139
    4    HB3  ASP   1          2HB       ASP   1  -1.318  53.742  80.752
    5    H    LEU   2           H        LEU   2  -1.434  56.953  83.121
    6    HA   LEU   2           HA       LEU   2  -0.687  58.134  80.514
    7    HB2  LEU   2          1HB       LEU   2  -2.253  59.354  82.811
    8    HB3  LEU   2          2HB       LEU   2  -1.956  60.089  81.260
    9    HG   LEU   2           HG       LEU   2  -3.500  57.512  81.616
   10   HD11  LEU   2          1HD1      LEU   2  -4.488  60.351  81.329
   11   HD12  LEU   2          2HD1      LEU   2  -4.665  59.322  82.732
   12   HD13  LEU   2          3HD1      LEU   2  -5.501  58.928  81.249
   13   HD21  LEU   2          1HD2      LEU   2  -3.146  59.437  79.256
   14   HD22  LEU   2          2HD2      LEU   2  -4.373  58.157  79.332
   15   HD23  LEU   2          3HD2      LEU   2  -2.671  57.710  79.303
   16    H    PHE   3           H        PHE   3   0.933  59.452  80.140
   17    HA   PHE   3           HA       PHE   3   2.864  59.923  82.241
   18    HB2  PHE   3          1HB       PHE   3   4.231  60.930  80.565
   19    HB3  PHE   3          2HB       PHE   3   3.447  59.539  79.828
   20    HD1  PHE   3           HD1      PHE   3   4.088  63.127  79.656
   21    HD2  PHE   3           HD2      PHE   3   1.425  60.021  78.259
   22    HE1  PHE   3           HE1      PHE   3   3.343  64.560  77.721
   23    HE2  PHE   3           HE2      PHE   3   0.683  61.495  76.332
   24    HZ   PHE   3           HZ       PHE   3   1.670  63.760  76.157
   25    H    VAL   4           H        VAL   4   0.121  61.669  81.116
   26    HA   VAL   4           HA       VAL   4   0.448  63.525  83.298
   27    HB   VAL   4           HB       VAL   4   1.774  64.793  81.613
   28   HG11  VAL   4          1HG1      VAL   4   0.527  63.830  79.576
   29   HG12  VAL   4          2HG1      VAL   4   1.030  65.545  79.485
   30   HG13  VAL   4          3HG1      VAL   4  -0.667  65.111  79.850
   31   HG21  VAL   4          1HG2      VAL   4   0.504  66.062  83.237
   32   HG22  VAL   4          2HG2      VAL   4  -0.916  66.049  82.178
   33   HG23  VAL   4          3HG2      VAL   4   0.571  66.906  81.667
   34    HA   PRO   5           HA       PRO   5  -0.798  64.449  84.812
   35    HB2  PRO   5          1HB       PRO   5  -2.849  63.629  86.481
   36    HB3  PRO   5          2HB       PRO   5  -2.970  65.166  85.563
   37    HG2  PRO   5          1HG       PRO   5  -4.128  62.496  84.885
   38    HG3  PRO   5          2HG       PRO   5  -4.910  64.079  84.861
   39    HD2  PRO   5          1HD       PRO   5  -3.991  62.922  82.626
   40    HD3  PRO   5          2HD       PRO   5  -3.869  64.703  82.899
   41    HA   PRO   6           HA       PRO   6   0.559  60.356  85.722
   42    HB2  PRO   6          1HB       PRO   6   1.351  60.377  88.367
   43    HB3  PRO   6          2HB       PRO   6   2.281  61.225  87.084
   44    HG2  PRO   6          1HG       PRO   6   0.198  62.376  88.924
   45    HG3  PRO   6          2HG       PRO   6   1.864  62.988  88.589
   46    HD2  PRO   6          1HD       PRO   6  -0.226  64.039  87.309
   47    HD3  PRO   6          2HD       PRO   6   1.323  63.693  86.450
   48    H    ILE   7           H        ILE   7  -1.383  59.240  85.407
   49    HA   ILE   7           HA       ILE   7  -2.475  57.922  87.809
   50    HB   ILE   7           HB       ILE   7  -3.942  60.034  87.550
   51   HG12  ILE   7          1HG1      ILE   7  -6.179  58.608  87.389
   52   HG13  ILE   7          2HG1      ILE   7  -5.084  57.211  87.313
   53   HG21  ILE   7          1HG2      ILE   7  -4.914  58.620  84.988
   54   HG22  ILE   7          2HG2      ILE   7  -3.894  60.059  85.000
   55   HG23  ILE   7          3HG2      ILE   7  -5.563  60.145  85.659
   56   HD11  ILE   7          1HD1      ILE   7  -6.032  57.887  89.665
   57   HD12  ILE   7          2HD1      ILE   7  -4.983  59.324  89.596
   58   HD13  ILE   7          3HD1      ILE   7  -4.247  57.682  89.599
   59    H    ASP   8           H        ASP   8  -3.360  55.913  87.206
   60    HA   ASP   8           HA       ASP   8  -3.426  53.955  85.988
   61    HB2  ASP   8          1HB       ASP   8  -5.246  55.311  84.965
   62    HB3  ASP   8          2HB       ASP   8  -4.151  55.718  83.650
  Start of MODEL   16
    1    H1   ASP   1           H        ASP   1  -1.027  55.392  85.362
    2    HA   ASP   1           HA       ASP   1   0.472  54.910  83.751
    3    HB2  ASP   1          1HB       ASP   1  -1.947  53.650  82.854
    4    HB3  ASP   1          2HB       ASP   1  -0.942  54.103  81.472
    5    H    LEU   2           H        LEU   2  -1.761  57.301  83.104
    6    HA   LEU   2           HA       LEU   2  -0.737  58.200  80.541
    7    HB2  LEU   2          1HB       LEU   2  -2.209  59.538  82.830
    8    HB3  LEU   2          2HB       LEU   2  -1.690  60.413  81.403
    9    HG   LEU   2           HG       LEU   2  -3.758  58.187  81.449
   10   HD11  LEU   2          1HD1      LEU   2  -4.069  61.184  81.229
   11   HD12  LEU   2          2HD1      LEU   2  -4.428  60.196  82.654
   12   HD13  LEU   2          3HD1      LEU   2  -5.372  59.983  81.193
   13   HD21  LEU   2          1HD2      LEU   2  -2.489  58.528  79.241
   14   HD22  LEU   2          2HD2      LEU   2  -3.130  60.175  79.235
   15   HD23  LEU   2          3HD2      LEU   2  -4.248  58.797  79.153
   16    H    PHE   3           H        PHE   3   1.020  59.445  80.174
   17    HA   PHE   3           HA       PHE   3   2.977  60.070  82.194
   18    HB2  PHE   3          1HB       PHE   3   2.459  61.419  79.509
   19    HB3  PHE   3          2HB       PHE   3   3.941  61.572  80.419
   20    HD1  PHE   3           HD1      PHE   3   3.838  58.445  81.264
   21    HD2  PHE   3           HD2      PHE   3   3.668  60.653  77.526
   22    HE1  PHE   3           HE1      PHE   3   4.809  56.499  80.048
   23    HE2  PHE   3           HE2      PHE   3   4.580  58.676  76.346
   24    HZ   PHE   3           HZ       PHE   3   5.176  56.582  77.592
   25    H    VAL   4           H        VAL   4   0.303  61.998  80.816
   26    HA   VAL   4           HA       VAL   4   0.483  63.758  83.160
   27    HB   VAL   4           HB       VAL   4   0.133  64.824  80.331
   28   HG11  VAL   4          1HG1      VAL   4   0.317  67.063  81.412
   29   HG12  VAL   4          2HG1      VAL   4   0.435  66.288  82.989
   30   HG13  VAL   4          3HG1      VAL   4  -1.070  66.142  82.033
   31   HG21  VAL   4          1HG2      VAL   4   2.389  66.023  80.848
   32   HG22  VAL   4          2HG2      VAL   4   2.435  64.308  80.404
   33   HG23  VAL   4          3HG2      VAL   4   2.598  64.792  82.101
   34    HA   PRO   5           HA       PRO   5  -0.740  64.379  84.801
   35    HB2  PRO   5          1HB       PRO   5  -2.845  63.829  86.514
   36    HB3  PRO   5          2HB       PRO   5  -2.879  65.238  85.470
   37    HG2  PRO   5          1HG       PRO   5  -4.092  62.528  85.045
   38    HG3  PRO   5          2HG       PRO   5  -4.872  64.157  84.966
   39    HD2  PRO   5          1HD       PRO   5  -4.000  62.849  82.734
   40    HD3  PRO   5          2HD       PRO   5  -3.923  64.620  82.844
   41    HA   PRO   6           HA       PRO   6   0.340  60.089  85.755
   42    HB2  PRO   6          1HB       PRO   6   1.535  60.255  88.125
   43    HB3  PRO   6          2HB       PRO   6   2.202  61.193  86.728
   44    HG2  PRO   6          1HG       PRO   6   0.351  62.197  88.910
   45    HG3  PRO   6          2HG       PRO   6   1.990  62.779  88.382
   46    HD2  PRO   6          1HD       PRO   6  -0.264  63.850  87.370
   47    HD3  PRO   6          2HD       PRO   6   1.231  63.577  86.359
   48    H    ILE   7           H        ILE   7  -2.428  60.378  86.186
   49    HA   ILE   7           HA       ILE   7  -3.003  59.238  88.854
   50    HB   ILE   7           HB       ILE   7  -4.466  61.005  87.872
   51   HG12  ILE   7          1HG1      ILE   7  -5.994  58.378  88.018
   52   HG13  ILE   7          2HG1      ILE   7  -5.279  59.143  89.449
   53   HG21  ILE   7          1HG2      ILE   7  -5.866  60.738  85.924
   54   HG22  ILE   7          2HG2      ILE   7  -5.410  59.037  85.740
   55   HG23  ILE   7          3HG2      ILE   7  -4.224  60.307  85.397
   56   HD11  ILE   7          1HD1      ILE   7  -7.561  59.765  89.364
   57   HD12  ILE   7          2HD1      ILE   7  -7.421  60.266  87.640
   58   HD13  ILE   7          3HD1      ILE   7  -6.609  61.228  88.921
   59    H    ASP   8           H        ASP   8  -3.016  58.161  85.426
   60    HA   ASP   8           HA       ASP   8  -3.086  55.373  86.371
   61    HB2  ASP   8          1HB       ASP   8  -5.504  56.148  86.207
   62    HB3  ASP   8          2HB       ASP   8  -5.258  56.436  84.480
  Start of MODEL   17
    1    H1   ASP   1           H        ASP   1  -2.657  55.798  85.275
    2    HA   ASP   1           HA       ASP   1  -2.267  53.937  83.012
    3    HB2  ASP   1          1HB       ASP   1  -4.438  54.389  84.332
    4    HB3  ASP   1          2HB       ASP   1  -4.569  55.885  83.407
    5    H    LEU   2           H        LEU   2  -1.640  57.227  83.672
    6    HA   LEU   2           HA       LEU   2  -1.087  57.806  80.816
    7    HB2  LEU   2          1HB       LEU   2  -2.452  59.767  82.708
    8    HB3  LEU   2          2HB       LEU   2  -1.915  60.053  81.034
    9    HG   LEU   2           HG       LEU   2  -4.162  58.185  81.677
   10   HD11  LEU   2          1HD1      LEU   2  -5.678  60.015  81.173
   11   HD12  LEU   2          2HD1      LEU   2  -4.337  61.120  80.746
   12   HD13  LEU   2          3HD1      LEU   2  -4.530  60.552  82.443
   13   HD21  LEU   2          1HD2      LEU   2  -3.220  57.685  79.538
   14   HD22  LEU   2          2HD2      LEU   2  -3.219  59.398  79.075
   15   HD23  LEU   2          3HD2      LEU   2  -4.748  58.543  79.277
   16    H    PHE   3           H        PHE   3   0.511  59.477  80.536
   17    HA   PHE   3           HA       PHE   3   2.430  59.582  82.716
   18    HB2  PHE   3          1HB       PHE   3   2.336  61.135  80.127
   19    HB3  PHE   3          2HB       PHE   3   3.708  61.076  81.224
   20    HD1  PHE   3           HD1      PHE   3   1.938  59.415  78.555
   21    HD2  PHE   3           HD2      PHE   3   4.963  58.912  81.504
   22    HE1  PHE   3           HE1      PHE   3   2.798  57.446  77.246
   23    HE2  PHE   3           HE2      PHE   3   5.877  56.948  80.303
   24    HZ   PHE   3           HZ       PHE   3   4.733  56.125  78.238
   25    H    VAL   4           H        VAL   4   0.230  61.777  81.019
   26    HA   VAL   4           HA       VAL   4   0.459  63.754  83.246
   27    HB   VAL   4           HB       VAL   4   0.397  64.361  80.243
   28   HG11  VAL   4          1HG1      VAL   4   0.373  66.207  82.715
   29   HG12  VAL   4          2HG1      VAL   4  -0.847  66.105  81.407
   30   HG13  VAL   4          3HG1      VAL   4   0.734  66.783  81.078
   31   HG21  VAL   4          1HG2      VAL   4   2.625  64.639  82.287
   32   HG22  VAL   4          2HG2      VAL   4   2.633  65.346  80.657
   33   HG23  VAL   4          3HG2      VAL   4   2.598  63.610  80.861
   34    HA   PRO   5           HA       PRO   5  -0.994  64.419  84.906
   35    HB2  PRO   5          1HB       PRO   5  -3.042  63.259  86.367
   36    HB3  PRO   5          2HB       PRO   5  -3.269  64.848  85.565
   37    HG2  PRO   5          1HG       PRO   5  -3.941  62.071  84.604
   38    HG3  PRO   5          2HG       PRO   5  -5.027  63.468  84.776
   39    HD2  PRO   5          1HD       PRO   5  -3.884  62.825  82.404
   40    HD3  PRO   5          2HD       PRO   5  -3.930  64.563  82.911
   41    HA   PRO   6           HA       PRO   6   0.898  60.502  85.733
   42    HB2  PRO   6          1HB       PRO   6   1.907  60.837  88.288
   43    HB3  PRO   6          2HB       PRO   6   2.385  61.835  86.892
   44    HG2  PRO   6          1HG       PRO   6   0.331  62.393  88.990
   45    HG3  PRO   6          2HG       PRO   6   1.690  63.410  88.458
   46    HD2  PRO   6          1HD       PRO   6  -0.774  63.861  87.477
   47    HD3  PRO   6          2HD       PRO   6   0.750  64.031  86.498
   48    H    ILE   7           H        ILE   7  -1.745  60.018  85.781
   49    HA   ILE   7           HA       ILE   7  -2.519  58.790  88.330
   50    HB   ILE   7           HB       ILE   7  -4.076  60.205  86.793
   51   HG12  ILE   7          1HG1      ILE   7  -5.044  57.430  87.587
   52   HG13  ILE   7          2HG1      ILE   7  -4.810  58.816  88.672
   53   HG21  ILE   7          1HG2      ILE   7  -4.445  57.634  85.165
   54   HG22  ILE   7          2HG2      ILE   7  -3.299  58.894  84.647
   55   HG23  ILE   7          3HG2      ILE   7  -5.050  59.278  84.798
   56   HD11  ILE   7          1HD1      ILE   7  -6.471  60.092  87.231
   57   HD12  ILE   7          2HD1      ILE   7  -7.163  58.709  88.122
   58   HD13  ILE   7          3HD1      ILE   7  -6.806  58.583  86.386
   59    H    ASP   8           H        ASP   8  -0.309  57.902  86.358
   60    HA   ASP   8           HA       ASP   8   0.842  55.988  85.942
   61    HB2  ASP   8          1HB       ASP   8  -1.239  54.900  87.764
   62    HB3  ASP   8          2HB       ASP   8  -0.216  53.776  86.909
  Start of MODEL   18
    1    H1   ASP   1           H        ASP   1  -2.556  56.027  84.565
    2    HA   ASP   1           HA       ASP   1  -2.939  54.042  82.313
    3    HB2  ASP   1          1HB       ASP   1  -5.083  54.658  83.219
    4    HB3  ASP   1          2HB       ASP   1  -4.663  56.370  83.164
    5    H    LEU   2           H        LEU   2  -1.996  57.338  83.252
    6    HA   LEU   2           HA       LEU   2  -0.760  57.765  80.569
    7    HB2  LEU   2          1HB       LEU   2  -2.720  59.570  82.046
    8    HB3  LEU   2          2HB       LEU   2  -1.599  60.200  80.817
    9    HG   LEU   2           HG       LEU   2  -3.661  58.084  80.173
   10   HD11  LEU   2          1HD1      LEU   2  -5.043  59.924  79.207
   11   HD12  LEU   2          2HD1      LEU   2  -3.840  61.142  79.711
   12   HD13  LEU   2          3HD1      LEU   2  -4.793  60.233  80.934
   13   HD21  LEU   2          1HD2      LEU   2  -3.294  58.917  77.858
   14   HD22  LEU   2          2HD2      LEU   2  -1.912  58.088  78.595
   15   HD23  LEU   2          3HD2      LEU   2  -1.921  59.875  78.486
   16    H    PHE   3           H        PHE   3   0.812  59.663  80.742
   17    HA   PHE   3           HA       PHE   3   2.028  59.615  83.430
   18    HB2  PHE   3          1HB       PHE   3   3.033  60.639  80.778
   19    HB3  PHE   3          2HB       PHE   3   3.893  60.772  82.294
   20    HD1  PHE   3           HD1      PHE   3   2.639  58.436  79.738
   21    HD2  PHE   3           HD2      PHE   3   4.931  58.907  83.317
   22    HE1  PHE   3           HE1      PHE   3   3.626  56.188  79.354
   23    HE2  PHE   3           HE2      PHE   3   5.916  56.614  83.041
   24    HZ   PHE   3           HZ       PHE   3   5.283  55.274  81.078
   25    H    VAL   4           H        VAL   4   0.212  61.668  81.317
   26    HA   VAL   4           HA       VAL   4   0.496  63.957  83.201
   27    HB   VAL   4           HB       VAL   4   0.307  64.145  80.118
   28   HG11  VAL   4          1HG1      VAL   4   0.532  66.341  82.187
   29   HG12  VAL   4          2HG1      VAL   4  -0.929  65.993  81.181
   30   HG13  VAL   4          3HG1      VAL   4   0.567  66.600  80.440
   31   HG21  VAL   4          1HG2      VAL   4   2.547  65.008  80.036
   32   HG22  VAL   4          2HG2      VAL   4   2.589  63.499  80.982
   33   HG23  VAL   4          3HG2      VAL   4   2.604  65.085  81.815
   34    HA   PRO   5           HA       PRO   5  -0.946  64.419  84.807
   35    HB2  PRO   5          1HB       PRO   5  -2.925  63.510  86.438
   36    HB3  PRO   5          2HB       PRO   5  -3.128  64.993  85.513
   37    HG2  PRO   5          1HG       PRO   5  -4.082  62.221  84.889
   38    HG3  PRO   5          2HG       PRO   5  -4.956  63.768  84.802
   39    HD2  PRO   5          1HD       PRO   5  -3.862  62.561  82.621
   40    HD3  PRO   5          2HD       PRO   5  -3.934  64.349  82.747
   41    HA   PRO   6           HA       PRO   6   0.842  60.462  85.682
   42    HB2  PRO   6          1HB       PRO   6   1.770  60.664  88.218
   43    HB3  PRO   6          2HB       PRO   6   2.455  61.616  86.873
   44    HG2  PRO   6          1HG       PRO   6   0.410  62.386  88.941
   45    HG3  PRO   6          2HG       PRO   6   1.919  63.235  88.458
   46    HD2  PRO   6          1HD       PRO   6  -0.623  63.810  87.460
   47    HD3  PRO   6          2HD       PRO   6   0.888  64.094  86.509
   48    H    ILE   7           H        ILE   7  -0.838  58.994  85.529
   49    HA   ILE   7           HA       ILE   7  -2.081  58.108  88.073
   50    HB   ILE   7           HB       ILE   7  -4.218  57.670  86.805
   51   HG12  ILE   7          1HG1      ILE   7  -3.117  59.598  84.793
   52   HG13  ILE   7          2HG1      ILE   7  -3.081  57.908  84.468
   53   HG21  ILE   7          1HG2      ILE   7  -5.130  59.814  87.177
   54   HG22  ILE   7          2HG2      ILE   7  -3.569  60.649  86.793
   55   HG23  ILE   7          3HG2      ILE   7  -3.794  59.727  88.283
   56   HD11  ILE   7          1HD1      ILE   7  -4.994  58.838  83.312
   57   HD12  ILE   7          2HD1      ILE   7  -5.490  59.732  84.723
   58   HD13  ILE   7          3HD1      ILE   7  -5.705  57.987  84.736
   59    H    ASP   8           H        ASP   8  -3.143  55.695  87.178
   60    HA   ASP   8           HA       ASP   8  -0.713  54.274  86.352
   61    HB2  ASP   8          1HB       ASP   8  -1.893  52.287  86.923
   62    HB3  ASP   8          2HB       ASP   8  -2.169  53.455  88.247
  Start of MODEL   19
    1    H1   ASP   1           H        ASP   1  -1.115  53.912  83.117
    2    HA   ASP   1           HA       ASP   1  -1.215  53.874  80.910
    3    HB2  ASP   1          1HB       ASP   1  -3.654  53.243  81.570
    4    HB3  ASP   1          2HB       ASP   1  -4.049  54.786  80.765
    5    H    LEU   2           H        LEU   2  -1.432  56.710  82.478
    6    HA   LEU   2           HA       LEU   2  -0.860  58.218  79.997
    7    HB2  LEU   2          1HB       LEU   2  -2.770  58.946  82.251
    8    HB3  LEU   2          2HB       LEU   2  -1.986  60.198  81.269
    9    HG   LEU   2           HG       LEU   2  -3.784  58.012  80.098
   10   HD11  LEU   2          1HD1      LEU   2  -4.988  59.576  81.579
   11   HD12  LEU   2          2HD1      LEU   2  -5.397  59.890  79.886
   12   HD13  LEU   2          3HD1      LEU   2  -4.270  60.972  80.727
   13   HD21  LEU   2          1HD2      LEU   2  -2.508  60.548  78.876
   14   HD22  LEU   2          2HD2      LEU   2  -3.749  59.532  78.071
   15   HD23  LEU   2          3HD2      LEU   2  -2.154  58.859  78.428
   16    H    PHE   3           H        PHE   3   0.710  59.747  80.026
   17    HA   PHE   3           HA       PHE   3   2.518  59.593  82.340
   18    HB2  PHE   3          1HB       PHE   3   3.185  59.658  79.952
   19    HB3  PHE   3          2HB       PHE   3   2.564  61.331  79.875
   20    HD1  PHE   3           HD1      PHE   3   5.210  59.161  81.413
   21    HD2  PHE   3           HD2      PHE   3   3.804  63.140  80.859
   22    HE1  PHE   3           HE1      PHE   3   7.363  59.994  82.222
   23    HE2  PHE   3           HE2      PHE   3   6.020  64.023  81.607
   24    HZ   PHE   3           HZ       PHE   3   7.793  62.463  82.285
   25    H    VAL   4           H        VAL   4   0.296  61.883  80.849
   26    HA   VAL   4           HA       VAL   4   0.421  63.551  83.282
   27    HB   VAL   4           HB       VAL   4   1.810  64.668  81.595
   28   HG11  VAL   4          1HG1      VAL   4   0.696  63.860  79.555
   29   HG12  VAL   4          2HG1      VAL   4   1.003  65.613  79.555
   30   HG13  VAL   4          3HG1      VAL   4  -0.639  64.999  79.887
   31   HG21  VAL   4          1HG2      VAL   4  -0.741  66.176  82.228
   32   HG22  VAL   4          2HG2      VAL   4   0.818  66.902  81.748
   33   HG23  VAL   4          3HG2      VAL   4   0.697  65.983  83.299
   34    HA   PRO   5           HA       PRO   5  -0.881  64.499  84.764
   35    HB2  PRO   5          1HB       PRO   5  -2.908  63.808  86.482
   36    HB3  PRO   5          2HB       PRO   5  -3.049  65.197  85.410
   37    HG2  PRO   5          1HG       PRO   5  -4.046  62.383  85.006
   38    HG3  PRO   5          2HG       PRO   5  -4.946  63.944  84.865
   39    HD2  PRO   5          1HD       PRO   5  -3.887  62.598  82.693
   40    HD3  PRO   5          2HD       PRO   5  -3.963  64.430  82.749
   41    HA   PRO   6           HA       PRO   6   0.783  60.610  86.121
   42    HB2  PRO   6          1HB       PRO   6   1.249  60.821  88.830
   43    HB3  PRO   6          2HB       PRO   6   2.092  61.823  87.574
   44    HG2  PRO   6          1HG       PRO   6  -0.334  62.590  89.235
   45    HG3  PRO   6          2HG       PRO   6   1.238  63.442  89.010
   46    HD2  PRO   6          1HD       PRO   6  -0.945  64.056  87.520
   47    HD3  PRO   6          2HD       PRO   6   0.728  64.092  86.841
   48    H    ILE   7           H        ILE   7  -1.063  59.413  85.618
   49    HA   ILE   7           HA       ILE   7  -2.275  57.959  87.874
   50    HB   ILE   7           HB       ILE   7  -4.491  57.879  86.575
   51   HG12  ILE   7          1HG1      ILE   7  -3.358  60.233  84.925
   52   HG13  ILE   7          2HG1      ILE   7  -3.525  58.581  84.319
   53   HG21  ILE   7          1HG2      ILE   7  -4.120  59.461  88.531
   54   HG22  ILE   7          2HG2      ILE   7  -5.412  59.948  87.459
   55   HG23  ILE   7          3HG2      ILE   7  -3.825  60.739  87.382
   56   HD11  ILE   7          1HD1      ILE   7  -5.409  60.090  83.599
   57   HD12  ILE   7          2HD1      ILE   7  -5.947  60.180  85.302
   58   HD13  ILE   7          3HD1      ILE   7  -5.925  58.613  84.435
   59    H    ASP   8           H        ASP   8  -3.496  55.956  86.435
   60    HA   ASP   8           HA       ASP   8  -1.277  54.647  85.158
   61    HB2  ASP   8          1HB       ASP   8  -4.144  53.837  85.767
   62    HB3  ASP   8          2HB       ASP   8  -3.162  52.870  84.699
  Start of MODEL   20
    1    H1   ASP   1           H        ASP   1  -2.754  54.414  83.555
    2    HA   ASP   1           HA       ASP   1   0.145  54.222  83.069
    3    HB2  ASP   1          1HB       ASP   1  -2.371  53.431  81.588
    4    HB3  ASP   1          2HB       ASP   1  -0.790  53.423  80.796
    5    H    LEU   2           H        LEU   2  -1.758  56.808  83.337
    6    HA   LEU   2           HA       LEU   2  -1.150  58.061  80.671
    7    HB2  LEU   2          1HB       LEU   2  -2.388  59.209  83.219
    8    HB3  LEU   2          2HB       LEU   2  -2.265  60.013  81.666
    9    HG   LEU   2           HG       LEU   2  -4.053  57.685  82.308
   10   HD11  LEU   2          1HD1      LEU   2  -4.840  59.835  83.286
   11   HD12  LEU   2          2HD1      LEU   2  -4.663  60.628  81.665
   12   HD13  LEU   2          3HD1      LEU   2  -5.885  59.343  81.915
   13   HD21  LEU   2          1HD2      LEU   2  -4.965  57.900  80.105
   14   HD22  LEU   2          2HD2      LEU   2  -3.842  59.239  79.726
   15   HD23  LEU   2          3HD2      LEU   2  -3.205  57.593  79.997
   16    H    PHE   3           H        PHE   3   0.531  59.457  80.351
   17    HA   PHE   3           HA       PHE   3   2.555  59.577  82.458
   18    HB2  PHE   3          1HB       PHE   3   3.137  59.467  80.023
   19    HB3  PHE   3          2HB       PHE   3   2.428  61.059  79.789
   20    HD1  PHE   3           HD1      PHE   3   3.655  63.110  80.539
   21    HD2  PHE   3           HD2      PHE   3   5.176  59.154  81.280
   22    HE1  PHE   3           HE1      PHE   3   5.807  64.040  81.235
   23    HE2  PHE   3           HE2      PHE   3   7.444  60.129  81.873
   24    HZ   PHE   3           HZ       PHE   3   7.716  62.610  81.922
   25    H    VAL   4           H        VAL   4   0.260  61.849  80.860
   26    HA   VAL   4           HA       VAL   4   0.412  63.470  83.290
   27    HB   VAL   4           HB       VAL   4   1.938  64.533  81.744
   28   HG11  VAL   4          1HG1      VAL   4   1.277  65.400  79.554
   29   HG12  VAL   4          2HG1      VAL   4  -0.357  64.789  79.721
   30   HG13  VAL   4          3HG1      VAL   4   0.989  63.667  79.562
   31   HG21  VAL   4          1HG2      VAL   4   0.541  65.966  83.220
   32   HG22  VAL   4          2HG2      VAL   4  -0.679  66.115  81.901
   33   HG23  VAL   4          3HG2      VAL   4   0.947  66.793  81.696
   34    HA   PRO   5           HA       PRO   5  -0.979  64.402  84.877
   35    HB2  PRO   5          1HB       PRO   5  -2.953  63.372  86.393
   36    HB3  PRO   5          2HB       PRO   5  -3.181  64.945  85.605
   37    HG2  PRO   5          1HG       PRO   5  -4.040  62.213  84.660
   38    HG3  PRO   5          2HG       PRO   5  -4.994  63.696  84.796
   39    HD2  PRO   5          1HD       PRO   5  -3.948  62.962  82.430
   40    HD3  PRO   5          2HD       PRO   5  -3.881  64.689  82.924
   41    HA   PRO   6           HA       PRO   6   0.857  60.472  85.804
   42    HB2  PRO   6          1HB       PRO   6   1.758  60.824  88.414
   43    HB3  PRO   6          2HB       PRO   6   2.459  61.706  87.002
   44    HG2  PRO   6          1HG       PRO   6   0.333  62.724  88.902
   45    HG3  PRO   6          2HG       PRO   6   1.864  63.454  88.398
   46    HD2  PRO   6          1HD       PRO   6  -0.408  64.115  87.226
   47    HD3  PRO   6          2HD       PRO   6   1.149  63.967  86.296
   48    H    ILE   7           H        ILE   7  -1.144  59.263  85.692
   49    HA   ILE   7           HA       ILE   7  -1.854  57.999  88.210
   50    HB   ILE   7           HB       ILE   7  -3.491  59.930  88.173
   51   HG12  ILE   7          1HG1      ILE   7  -4.932  57.332  87.645
   52   HG13  ILE   7          2HG1      ILE   7  -4.114  57.722  89.153
   53   HG21  ILE   7          1HG2      ILE   7  -3.589  60.114  85.584
   54   HG22  ILE   7          2HG2      ILE   7  -4.692  58.742  85.600
   55   HG23  ILE   7          3HG2      ILE   7  -5.175  60.253  86.400
   56   HD11  ILE   7          1HD1      ILE   7  -6.535  58.116  89.447
   57   HD12  ILE   7          2HD1      ILE   7  -5.741  59.714  89.421
   58   HD13  ILE   7          3HD1      ILE   7  -6.623  59.096  87.992
   59    H    ASP   8           H        ASP   8  -2.416  55.947  87.870
   60    HA   ASP   8           HA       ASP   8  -2.298  53.957  86.757
   61    HB2  ASP   8          1HB       ASP   8  -4.147  55.343  84.815
   62    HB3  ASP   8          2HB       ASP   8  -3.948  53.598  85.032