*HEADER    PLANT PROTEIN                           17-JUL-16   2NDM              
*TITLE     NMR SOLUTION STRUCTURE OF PAWS DERIVED PEPTIDE 21 (PDP-21)            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PAWS DERIVED PEPTIDE 21;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ZINNIA HAAGEANA;                                
*SOURCE   4 ORGANISM_TAXID: 1525732;                                             
*SOURCE   5 OTHER_DETAILS: ASSEMBLED BY FMOC SOLID PHASE PEPTIDE SYNTHESIS AND   
*SOURCE   6 CYCLISED BY NATIVE CHEMICAL LIGATION.                                
*KEYWDS    PDP, PLANT PEPTIDE, CYCLIC PEPTIDE, PLANT PROTEIN                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    B.FRANKE, A.S.JAYASENA, M.F.FISHER, J.E.SWEDBERG, N.L.TAYLOR,         
*AUTHOR   2 J.S.MYLNE, K.ROSENGREN                                               
*REVDAT   1   24-AUG-16 2NDM    0                                                



#    2 R  -70.801  138.034    5.849   10.372    0.447 0.606 25 12 Strong
   2   ARG  PHI     -90.8   -50.8
   2   ARG  PSI     117.3   158.8

#    3 P  -63.977  143.217    5.858    6.581    0.404 0.702 25 13 Strong
   #3   PRO  PHI     -84.0   -44.0
   3   PRO  PSI     123.2   163.2

#    4 c  -88.523  128.580   15.514   17.133    0.359 0.796 25 13 Strong
   4   CYSS PHI    -119.6   -57.5
   4   CYSS PSI      94.3   162.8

#    5 Y  -78.938  141.845   13.626   11.370    0.398 0.725 10 15 Generous
   5   TYR  PHI    -119.8   -38.1
   5   TYR  PSI     107.7   176.0

#    6 T -109.621  167.550   33.361   14.522    0.370 0.684 25 15 Strong
   6   THR  PHI    -176.3   -42.9
   6   THR  PSI     138.5   196.6

#    7 L  -64.774  -22.168    6.760    6.086    0.336 0.632 25 15 Strong
   7   LEU  PHI     -84.8   -44.8
   7   LEU  PSI     -42.2    -2.2

#    8 Q  -88.454   -3.815    8.011    6.886    0.337 0.676 25 15 Strong
   8   GLN  PHI    -108.5   -68.5
   8   GLN  PSI     -23.8    16.2

#   10 c  -86.593  121.780   12.654   15.004    0.446 0.799 25 15 Strong
  10   CYSS PHI    -111.9   -61.3
  10   CYSS PSI      91.8   151.8

#   11 F  -71.755  134.461    9.963    8.715    0.649 0.791 25 13 Strong
  11   PHE  PHI     -91.8   -51.8
  11   PHE  PSI     114.5   154.5

#   12 P  -65.137  144.626    7.455   10.516    0.817 0.759 25 13 Strong
  #12   PRO  PHI     -85.1   -45.1
  12   PRO  PSI     123.6   165.7

#CHI1 From Talos in agreement with original structure
 2   ARG  CHI1     -90.0   -30.0
 5   TYR  CHI1     -90.0   -30.0
 6   THR  CHI1     30.0    90.0
 8   GLN CHI1     -90.0   -30.0
 11   PHE  CHI1     -90.0   -30.0 2 ARG  H   13 ASP  O 2.3
 2 ARG  N   13 ASP  O 3.3
13 ASP  H    2 ARG  O 2.3
13 ASP  N    2 ARG  O 3.3  2 ARG  H       2 ARG  QB      3.26            #peak 8 #SUP 0.98 #QF 0.98
  2 ARG  H       2 ARG  HG3     3.88            #peak 9 #SUP 0.96 #QF 0.96
  2 ARG  H       2 ARG  HG2     3.88            #peak 10 #SUP 0.99 #QF 0.99
  3 PRO  HA      4 CYSS H       3.16            #peak 11 #SUP 0.77 #QF 0.77
  4 CYSS H       4 CYSS HB3     4.05            #peak 12 #SUP 0.97 #QF 0.97
  4 CYSS H       4 CYSS HB2     4.05            #peak 13 #SUP 1.00
  4 CYSS HA      5 TYR  H       3.15            #peak 15 #SUP 0.70 #QF 0.70
  4 CYSS HB2     5 TYR  H       4.84            #peak 17 #SUP 1.00
  4 CYSS HB3     5 TYR  H       4.84            #peak 18 #SUP 1.00
  5 TYR  HA      5 TYR  QD      3.63            #peak 25 #SUP 0.96 #QF 0.96
  6 THR  H       6 THR  QG2     4.16            #peak 29 #SUP 1.00
  6 THR  HA      7 LEU  H       3.32            #peak 30 #SUP 0.89 #QF 0.89
  6 THR  HB      7 LEU  H       3.82            #peak 31 #SUP 0.90 #QF 0.90
  7 LEU  H       7 LEU  HB3     3.80            #peak 33 #SUP 0.98 #QF 0.98
  7 LEU  H       7 LEU  HB2     3.80            #peak 34 #SUP 0.99 #QF 0.99
  7 LEU  H       7 LEU  QD2     5.38            #peak 35 #SUP 1.00
  7 LEU  H       7 LEU  QD1     5.38            #peak 36 #SUP 1.00
  8 GLN  H       8 GLN  QG      4.28            #peak 39 #SUP 0.99 #QF 0.99
  7 LEU  HB3     8 GLN  H       4.70            #peak 42 #SUP 1.00
  7 LEU  HB2     8 GLN  H       4.70            #peak 43 #SUP 1.00
  6 THR  QG2     7 LEU  H       4.80            #peak 45 #SUP 1.00
  6 THR  QG2     8 GLN  H       5.29            #peak 46 #SUP 0.88 #QF 0.88
  9 SER  H       9 SER  QB      3.77            #peak 50 #SUP 1.00
  8 GLN  QG      9 SER  H       5.03            #peak 51 #SUP 1.00
  8 GLN  HB3     9 SER  H       4.44            #peak 52 #SUP 0.95 #QF 0.95
  8 GLN  HB2     9 SER  H       4.44            #peak 53 #SUP 1.00
  6 THR  QG2     9 SER  H       5.50            #peak 56 #SUP 0.63 #QF 0.63
  7 LEU  H       8 GLN  QG      5.50            #peak 59 #SUP 0.95 #QF 0.95
  9 SER  HA     10 CYSS H       3.46            #peak 60 #SUP 0.91 #QF 0.91
 10 CYSS H      10 CYSS HB2     4.20            #peak 62 #SUP 1.00
 10 CYSS H      10 CYSS HB3     4.20            #peak 63 #SUP 0.95 #QF 0.95
  9 SER  QB     10 CYSS H       4.63            #peak 64 #SUP 1.00
 10 CYSS HA     11 PHE  H       3.03            #peak 65 #SUP 0.84 #QF 0.84
 11 PHE  H      11 PHE  HB2     3.77            #peak 66 #SUP 0.98 #QF 0.98
 11 PHE  H      11 PHE  HB3     3.77            #peak 67 #SUP 0.84 #QF 0.84
  2 ARG  HA      3 PRO  HD2     3.75            #peak 70 #SUP 1.00
  2 ARG  HA      3 PRO  HD3     3.75            #peak 71 #SUP 0.99 #QF 0.99
  2 ARG  QB      3 PRO  HA      4.98            #peak 74 #SUP 1.00 #QF 0.20
 11 PHE  HA     12 PRO  HD2     3.50            #peak 85 #SUP 0.78 #QF 0.78
 11 PHE  HA     12 PRO  HD3     3.50            #peak 86 #SUP 0.77 #QF 0.77
 11 PHE  HA     12 PRO  HG3     5.20            #peak 89 #SUP 1.00 #QF 0.78
 11 PHE  HA     12 PRO  HG2     5.20            #peak 95 #SUP 1.00 #QF 0.69
 12 PRO  HA     13 ASP  H       3.46            #peak 111 #SUP 0.95 #QF 0.95
 13 ASP  H      13 ASP  HB2     4.12            #peak 113 #SUP 0.96 #QF 0.96
 13 ASP  H      13 ASP  HB3     4.12            #peak 114 #SUP 1.00
 12 PRO  HG2    13 ASP  H       5.50            #peak 116 #SUP 0.89 #QF 0.89
 12 PRO  HG3    13 ASP  H       5.50            #peak 118 #SUP 0.96 #QF 0.96
  2 ARG  H      13 ASP  H       3.62            #peak 120 #SUP 0.95 #QF 0.95
  5 TYR  H       5 TYR  QD      4.41            #peak 121 #SUP 0.88 #QF 0.88
  5 TYR  H       5 TYR  QE      4.94            #peak 122 #SUP 0.99 #QF 0.49
  5 TYR  H       6 THR  H       5.23            #peak 122 #SUP 0.99 #QF 0.49
 11 PHE  H      11 PHE  QD      4.84            #peak 123 #SUP 0.96 #QF 0.96
 10 CYSS H      11 PHE  H       5.39            #peak 124 #SUP 0.94 #QF 0.94
  7 LEU  H       8 GLN  H       4.00            #peak 125 #SUP 0.98 #QF 0.98
  4 CYSS H       5 TYR  H       4.95            #peak 127 #SUP 0.99 #QF 0.99
  9 SER  H      10 CYSS H       4.73            #peak 131 #SUP 1.00
  6 THR  H       7 LEU  H       4.75            #peak 135 #SUP 0.97 #QF 0.97
  5 TYR  H       6 THR  QG2     5.50            #peak 163 #SUP 0.71 #QF 0.71
  6 THR  HA      6 THR  HB      2.82            #peak 167 #SUP 0.87 #QF 0.87
  5 TYR  QD      6 THR  QG2     5.50            #peak 168 #SUP 0.62 #QF 0.62
  6 THR  HA      6 THR  QG2     3.64            #peak 175 #SUP 1.00
  8 GLN  HA      8 GLN  QG      4.17            #peak 186 #SUP 1.00
 11 PHE  HA     11 PHE  QD      3.92            #peak 209 #SUP 0.73 #QF 0.73
 11 PHE  HA     11 PHE  QE      4.82            #peak 210 #SUP 0.49 #QF 0.49
  1 GLY  QA     13 ASP  H       4.66            #peak 3
  2 ARG  H       2 ARG  QG      3.32            #peak 9
  2 ARG  H       2 ARG  QD      4.91            #peak 138
  2 ARG  HA      2 ARG  QD      5.34            #peak 140
  2 ARG  HA      3 PRO  QD      3.10            #peak 70
  2 ARG  QB      2 ARG  QD      3.63            #peak 144
  2 ARG  QB      3 PRO  QD      3.93            #peak 77
  3 PRO  QB      5 TYR  QD      5.34            #peak 173
  3 PRO  QG      4 CYSS H       4.70            #peak 157
  3 PRO  QG      5 TYR  QD      5.35            #peak 172
  4 CYSS QB      5 TYR  H       4.21            #peak 17
  5 TYR  H       5 TYR  QB      3.48            #peak 19
  5 TYR  QB      6 THR  H       4.31            #peak 24
  7 LEU  H       7 LEU  QQD     4.57            #peak 35
  7 LEU  H       8 GLN  QB      5.34            #peak 57
  7 LEU  HA      7 LEU  QQD     3.55            #peak 179
  7 LEU  QB      8 GLN  H       4.11            #peak 43
  7 LEU  QB      9 SER  H       5.21            #peak 55
  7 LEU  QQD     8 GLN  H       5.44            #peak 44
  8 GLN  H       8 GLN  QB      3.55            #peak 41
  8 GLN  QB      9 SER  H       3.85            #peak 52
 10 CYSS H      10 CYSS QB      3.55            #peak 63
 10 CYSS QB     11 PHE  H       3.40            #peak 68
 11 PHE  H      11 PHE  QB      3.13            #peak 67
 11 PHE  H      12 PRO  QD      5.35            #peak 108
 11 PHE  HA     12 PRO  QG      4.58            #peak 95
 11 PHE  HA     12 PRO  QD      3.06            #peak 86
 12 PRO  QG     13 ASP  H       4.75            #peak 118

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1   9.512   2.009   0.348
    2    HA2  GLY   1           HA1      GLY   1  10.560   0.275  -0.924
    3    HA3  GLY   1           HA2      GLY   1  10.626  -0.270   0.746
    4    H    ARG   2           H        ARG   2   8.405  -1.343   1.417
    5    HA   ARG   2           HA       ARG   2   8.053  -3.542  -0.453
    6    HB2  ARG   2           HB1      ARG   2   7.374  -3.086   2.428
    7    HB3  ARG   2           HB2      ARG   2   6.563  -4.365   1.536
    8    HG2  ARG   2           HG1      ARG   2   9.540  -4.200   1.481
    9    HG3  ARG   2           HG2      ARG   2   8.724  -4.871   2.895
   10    HD2  ARG   2           HD1      ARG   2   7.446  -6.322   1.189
   11    HD3  ARG   2           HD2      ARG   2   8.728  -5.866   0.067
   12    HE   ARG   2           HE       ARG   2   8.903  -7.772   2.167
   13   HH11  ARG   2          HH11      ARG   2  10.732  -5.356   0.454
   14   HH12  ARG   2          HH12      ARG   2  12.262  -6.109   0.759
   15   HH21  ARG   2          HH21      ARG   2  10.911  -8.774   2.575
   16   HH22  ARG   2          HH22      ARG   2  12.362  -8.055   1.965
   17    HA   PRO   3           HA       PRO   3   4.114  -2.398  -2.009
   18    HB2  PRO   3           HB1      PRO   3   2.829  -4.787  -2.128
   19    HB3  PRO   3           HB2      PRO   3   4.141  -4.346  -3.227
   20    HG2  PRO   3           HG1      PRO   3   4.226  -6.042  -0.761
   21    HG3  PRO   3           HG2      PRO   3   5.006  -6.310  -2.331
   22    HD2  PRO   3           HD1      PRO   3   6.339  -5.322  -0.192
   23    HD3  PRO   3           HD2      PRO   3   6.736  -4.862  -1.859
   24    H    CYS   4           H        CYS   4   2.447  -1.412  -1.069
   25    HA   CYS   4           HA       CYS   4   1.304  -2.601   1.375
   26    HB2  CYS   4           HB1      CYS   4   2.629  -0.290   1.386
   27    HB3  CYS   4           HB2      CYS   4   1.062   0.327   0.872
   28    H    TYR   5           H        TYR   5  -0.509  -3.578   0.680
   29    HA   TYR   5           HA       TYR   5  -2.388  -1.972  -0.926
   30    HB2  TYR   5           HB1      TYR   5  -2.221  -4.989  -0.882
   31    HB3  TYR   5           HB2      TYR   5  -3.206  -3.993  -1.948
   32    HD1  TYR   5           HD1      TYR   5  -1.387  -1.977  -2.928
   33    HD2  TYR   5           HD2      TYR   5  -0.661  -6.102  -2.176
   34    HE1  TYR   5           HE1      TYR   5   0.428  -1.954  -4.588
   35    HE2  TYR   5           HE2      TYR   5   1.157  -6.090  -3.832
   36    HH   TYR   5           HH       TYR   5   2.228  -4.909  -5.382
   37    H    THR   6           H        THR   6  -4.084  -1.340   0.209
   38    HA   THR   6           HA       THR   6  -5.298  -3.201   2.124
   39    HB   THR   6           HB       THR   6  -5.664  -1.381   3.745
   40    HG1  THR   6           HG1      THR   6  -5.218   0.611   3.202
   41   HG21  THR   6          HG21      THR   6  -2.718  -1.479   3.174
   42   HG22  THR   6          HG22      THR   6  -3.591  -2.911   3.720
   43   HG23  THR   6          HG23      THR   6  -3.545  -1.467   4.731
   44    H    LEU   7           H        LEU   7  -7.399  -1.882   3.019
   45    HA   LEU   7           HA       LEU   7  -9.136  -1.751   0.778
   46    HB2  LEU   7           HB1      LEU   7  -9.398  -1.347   3.711
   47    HB3  LEU   7           HB2      LEU   7 -10.678  -0.729   2.669
   48    HG   LEU   7           HG       LEU   7 -10.639  -3.181   1.715
   49   HD11  LEU   7          HD11      LEU   7  -8.810  -4.096   2.876
   50   HD12  LEU   7          HD12      LEU   7 -10.244  -4.756   3.661
   51   HD13  LEU   7          HD13      LEU   7  -9.355  -3.436   4.418
   52   HD21  LEU   7          HD21      LEU   7 -12.596  -2.252   2.690
   53   HD22  LEU   7          HD22      LEU   7 -11.889  -2.291   4.305
   54   HD23  LEU   7          HD23      LEU   7 -12.307  -3.798   3.490
   55    H    GLN   8           H        GLN   8  -7.513   0.656   2.746
   56    HA   GLN   8           HA       GLN   8  -8.887   2.830   1.371
   57    HB2  GLN   8           HB1      GLN   8  -6.784   2.940   3.540
   58    HB3  GLN   8           HB2      GLN   8  -7.719   4.301   2.935
   59    HG2  GLN   8           HG1      GLN   8  -9.698   3.523   3.907
   60    HG3  GLN   8           HG2      GLN   8  -9.043   1.905   4.154
   61   HE21  GLN   8          HE21      GLN   8 -10.254   3.144   6.219
   62   HE22  GLN   8          HE22      GLN   8  -9.092   3.622   7.405
   63    H    SER   9           H        SER   9  -6.782   0.921   0.212
   64    HA   SER   9           HA       SER   9  -5.071   1.010  -1.284
   65    HB2  SER   9           HB1      SER   9  -6.710   2.668  -2.309
   66    HB3  SER   9           HB2      SER   9  -5.721   3.943  -1.597
   67    HG   SER   9           HG       SER   9  -5.280   2.460  -3.825
   68    H    CYS  10           H        CYS  10  -3.630   0.690   0.555
   69    HA   CYS  10           HA       CYS  10  -2.344   2.819   1.883
   70    HB2  CYS  10           HB1      CYS  10  -2.400   0.420   2.638
   71    HB3  CYS  10           HB2      CYS  10  -1.214   0.060   1.386
   72    H    PHE  11           H        PHE  11  -0.219   3.638   1.634
   73    HA   PHE  11           HA       PHE  11   0.586   3.843  -1.154
   74    HB2  PHE  11           HB1      PHE  11   1.291   5.356   1.348
   75    HB3  PHE  11           HB2      PHE  11   2.246   5.539  -0.119
   76    HD1  PHE  11           HD2      PHE  11   0.370   5.609  -2.258
   77    HD2  PHE  11           HD1      PHE  11  -0.006   7.217   1.665
   78    HE1  PHE  11           HE2      PHE  11  -1.238   7.271  -3.097
   79    HE2  PHE  11           HE1      PHE  11  -1.616   8.881   0.832
   80    HZ   PHE  11           HZ       PHE  11  -2.234   8.910  -1.552
   81    HA   PRO  12           HA       PRO  12   4.064   1.176  -0.935
   82    HB2  PRO  12           HB1      PRO  12   5.824   2.450  -2.563
   83    HB3  PRO  12           HB2      PRO  12   4.392   1.610  -3.168
   84    HG2  PRO  12           HG1      PRO  12   4.806   4.533  -2.673
   85    HG3  PRO  12           HG2      PRO  12   4.019   3.731  -4.045
   86    HD2  PRO  12           HD1      PRO  12   2.621   4.856  -2.018
   87    HD3  PRO  12           HD2      PRO  12   2.045   3.424  -2.896
   88    H    ASP  13           H        ASP  13   6.022   0.875   0.096
   89    HA   ASP  13           HA       ASP  13   7.587   3.102   1.035
   90    HB2  ASP  13           HB1      ASP  13   5.722   1.641   2.835
   91    HB3  ASP  13           HB2      ASP  13   7.318   2.030   3.469
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1   9.037   2.070  -0.178
    2    HA2  GLY   1           HA1      GLY   1  10.093   0.376  -1.346
    3    HA3  GLY   1           HA2      GLY   1  10.490  -0.167   0.279
    4    H    ARG   2           H        ARG   2   8.461  -1.304   1.348
    5    HA   ARG   2           HA       ARG   2   7.986  -3.630  -0.251
    6    HB2  ARG   2           HB1      ARG   2   7.302  -2.770   2.527
    7    HB3  ARG   2           HB2      ARG   2   6.422  -4.120   1.822
    8    HG2  ARG   2           HG1      ARG   2   8.672  -5.159   1.328
    9    HG3  ARG   2           HG2      ARG   2   9.368  -3.905   2.357
   10    HD2  ARG   2           HD1      ARG   2   7.106  -5.589   3.353
   11    HD3  ARG   2           HD2      ARG   2   8.753  -6.219   3.373
   12    HE   ARG   2           HE       ARG   2   8.466  -3.616   4.575
   13   HH11  ARG   2          HH11      ARG   2   8.347  -7.057   5.088
   14   HH12  ARG   2          HH12      ARG   2   8.654  -6.945   6.790
   15   HH21  ARG   2          HH21      ARG   2   8.871  -3.456   6.814
   16   HH22  ARG   2          HH22      ARG   2   8.951  -4.896   7.770
   17    HA   PRO   3           HA       PRO   3   4.075  -2.755  -2.034
   18    HB2  PRO   3           HB1      PRO   3   2.791  -5.136  -1.811
   19    HB3  PRO   3           HB2      PRO   3   4.124  -4.866  -2.939
   20    HG2  PRO   3           HG1      PRO   3   4.158  -6.164  -0.241
   21    HG3  PRO   3           HG2      PRO   3   4.970  -6.667  -1.736
   22    HD2  PRO   3           HD1      PRO   3   6.261  -5.360   0.253
   23    HD3  PRO   3           HD2      PRO   3   6.692  -5.161  -1.458
   24    H    CYS   4           H        CYS   4   2.510  -1.539  -1.198
   25    HA   CYS   4           HA       CYS   4   1.299  -2.356   1.360
   26    HB2  CYS   4           HB1      CYS   4   2.595  -0.092   1.067
   27    HB3  CYS   4           HB2      CYS   4   1.103   0.438   0.298
   28    H    TYR   5           H        TYR   5  -0.417  -3.561   0.689
   29    HA   TYR   5           HA       TYR   5  -2.371  -2.210  -1.056
   30    HB2  TYR   5           HB1      TYR   5  -1.819  -5.172  -0.787
   31    HB3  TYR   5           HB2      TYR   5  -3.132  -4.478  -1.732
   32    HD1  TYR   5           HD1      TYR   5  -2.553  -2.997  -3.698
   33    HD2  TYR   5           HD2      TYR   5   0.351  -5.368  -1.685
   34    HE1  TYR   5           HE1      TYR   5  -1.057  -2.804  -5.641
   35    HE2  TYR   5           HE2      TYR   5   1.855  -5.180  -3.621
   36    HH   TYR   5           HH       TYR   5   1.447  -2.947  -6.055
   37    H    THR   6           H        THR   6  -3.917  -1.426   0.223
   38    HA   THR   6           HA       THR   6  -5.176  -3.254   2.146
   39    HB   THR   6           HB       THR   6  -5.518  -1.325   3.702
   40    HG1  THR   6           HG1      THR   6  -5.125   0.401   2.300
   41   HG21  THR   6          HG21      THR   6  -3.092  -1.261   4.474
   42   HG22  THR   6          HG22      THR   6  -2.731  -2.273   3.076
   43   HG23  THR   6          HG23      THR   6  -3.830  -2.854   4.327
   44    H    LEU   7           H        LEU   7  -7.249  -1.925   3.040
   45    HA   LEU   7           HA       LEU   7  -9.016  -1.785   0.840
   46    HB2  LEU   7           HB1      LEU   7  -9.189  -1.329   3.759
   47    HB3  LEU   7           HB2      LEU   7 -10.447  -0.600   2.764
   48    HG   LEU   7           HG       LEU   7 -10.699  -3.003   1.794
   49   HD11  LEU   7          HD11      LEU   7  -8.651  -3.816   2.993
   50   HD12  LEU   7          HD12      LEU   7 -10.102  -4.785   3.246
   51   HD13  LEU   7          HD13      LEU   7  -9.558  -3.669   4.498
   52   HD21  LEU   7          HD21      LEU   7 -12.025  -3.508   4.076
   53   HD22  LEU   7          HD22      LEU   7 -12.593  -2.373   2.851
   54   HD23  LEU   7          HD23      LEU   7 -11.733  -1.779   4.271
   55    H    GLN   8           H        GLN   8  -7.310   0.656   2.701
   56    HA   GLN   8           HA       GLN   8  -8.630   2.804   1.234
   57    HB2  GLN   8           HB1      GLN   8  -6.839   2.681   3.631
   58    HB3  GLN   8           HB2      GLN   8  -6.991   4.190   2.740
   59    HG2  GLN   8           HG1      GLN   8  -9.362   2.678   3.794
   60    HG3  GLN   8           HG2      GLN   8  -8.506   3.899   4.734
   61   HE21  GLN   8          HE21      GLN   8  -8.267   6.038   3.642
   62   HE22  GLN   8          HE22      GLN   8  -9.615   6.619   2.732
   63    H    SER   9           H        SER   9  -6.558   0.799   0.176
   64    HA   SER   9           HA       SER   9  -4.716   0.776  -1.175
   65    HB2  SER   9           HB1      SER   9  -4.751   2.396  -2.960
   66    HB3  SER   9           HB2      SER   9  -6.422   2.006  -2.550
   67    HG   SER   9           HG       SER   9  -6.711   4.023  -2.084
   68    H    CYS  10           H        CYS  10  -3.654   1.146   1.097
   69    HA   CYS  10           HA       CYS  10  -2.463   3.607   1.722
   70    HB2  CYS  10           HB1      CYS  10  -0.957   2.309   3.161
   71    HB3  CYS  10           HB2      CYS  10  -2.622   1.767   3.332
   72    H    PHE  11           H        PHE  11  -0.576   4.568   1.150
   73    HA   PHE  11           HA       PHE  11   0.573   3.950  -1.344
   74    HB2  PHE  11           HB1      PHE  11   1.157   5.874   0.850
   75    HB3  PHE  11           HB2      PHE  11   2.440   5.564  -0.315
   76    HD1  PHE  11           HD1      PHE  11  -1.262   5.994  -0.559
   77    HD2  PHE  11           HD2      PHE  11   2.593   7.235  -1.868
   78    HE1  PHE  11           HE1      PHE  11  -2.307   7.579  -2.123
   79    HE2  PHE  11           HE2      PHE  11   1.553   8.823  -3.435
   80    HZ   PHE  11           HZ       PHE  11  -0.899   8.996  -3.565
   81    HA   PRO  12           HA       PRO  12   3.691   0.993  -0.457
   82    HB2  PRO  12           HB1      PRO  12   5.656   1.749  -2.171
   83    HB3  PRO  12           HB2      PRO  12   4.157   0.979  -2.706
   84    HG2  PRO  12           HG1      PRO  12   4.903   3.879  -2.703
   85    HG3  PRO  12           HG2      PRO  12   4.079   2.936  -3.959
   86    HD2  PRO  12           HD1      PRO  12   2.748   4.557  -2.246
   87    HD3  PRO  12           HD2      PRO  12   2.039   3.065  -2.896
   88    H    ASP  13           H        ASP  13   5.928   0.714   0.287
   89    HA   ASP  13           HA       ASP  13   7.318   3.062   1.262
   90    HB2  ASP  13           HB1      ASP  13   6.004   1.070   3.099
   91    HB3  ASP  13           HB2      ASP  13   7.400   2.013   3.610
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1   9.282   2.216   0.796
    2    HA2  GLY   1           HA1      GLY   1  10.557   0.761  -0.495
    3    HA3  GLY   1           HA2      GLY   1  10.423  -0.195   0.974
    4    H    ARG   2           H        ARG   2   8.521  -1.647   1.126
    5    HA   ARG   2           HA       ARG   2   8.138  -2.981  -1.435
    6    HB2  ARG   2           HB1      ARG   2   7.760  -3.764   1.431
    7    HB3  ARG   2           HB2      ARG   2   6.941  -4.671   0.168
    8    HG2  ARG   2           HG1      ARG   2   9.288  -4.844  -0.903
    9    HG3  ARG   2           HG2      ARG   2   9.867  -4.411   0.707
   10    HD2  ARG   2           HD1      ARG   2   9.733  -6.580   1.201
   11    HD3  ARG   2           HD2      ARG   2   7.982  -6.373   1.192
   12    HE   ARG   2           HE       ARG   2   8.722  -6.823  -1.430
   13   HH11  ARG   2          HH11      ARG   2   8.906  -8.521   1.604
   14   HH12  ARG   2          HH12      ARG   2   8.820 -10.092   0.880
   15   HH21  ARG   2          HH21      ARG   2   8.609  -8.886  -2.396
   16   HH22  ARG   2          HH22      ARG   2   8.652 -10.299  -1.395
   17    HA   PRO   3           HA       PRO   3   3.982  -1.742  -2.099
   18    HB2  PRO   3           HB1      PRO   3   2.864  -4.011  -3.085
   19    HB3  PRO   3           HB2      PRO   3   4.011  -3.029  -4.003
   20    HG2  PRO   3           HG1      PRO   3   4.488  -5.545  -2.453
   21    HG3  PRO   3           HG2      PRO   3   5.106  -5.079  -4.049
   22    HD2  PRO   3           HD1      PRO   3   6.595  -4.885  -1.795
   23    HD3  PRO   3           HD2      PRO   3   6.772  -3.759  -3.157
   24    H    CYS   4           H        CYS   4   2.127  -1.551  -0.967
   25    HA   CYS   4           HA       CYS   4   1.542  -3.611   1.059
   26    HB2  CYS   4           HB1      CYS   4   0.810  -1.917   2.573
   27    HB3  CYS   4           HB2      CYS   4   2.381  -1.409   1.961
   28    H    TYR   5           H        TYR   5  -0.619  -4.124   1.450
   29    HA   TYR   5           HA       TYR   5  -2.520  -3.129  -0.572
   30    HB2  TYR   5           HB1      TYR   5  -2.502  -5.889   0.663
   31    HB3  TYR   5           HB2      TYR   5  -3.549  -5.315  -0.632
   32    HD1  TYR   5           HD1      TYR   5  -2.199  -4.355  -2.736
   33    HD2  TYR   5           HD2      TYR   5  -0.689  -7.177   0.067
   34    HE1  TYR   5           HE1      TYR   5  -0.565  -5.127  -4.404
   35    HE2  TYR   5           HE2      TYR   5   0.951  -7.957  -1.593
   36    HH   TYR   5           HH       TYR   5   0.884  -6.827  -4.912
   37    H    THR   6           H        THR   6  -4.331  -2.234   0.168
   38    HA   THR   6           HA       THR   6  -5.436  -3.000   2.740
   39    HB   THR   6           HB       THR   6  -5.607  -0.589   3.467
   40    HG1  THR   6           HG1      THR   6  -4.211   0.882   2.496
   41   HG21  THR   6          HG21      THR   6  -4.024  -2.113   4.519
   42   HG22  THR   6          HG22      THR   6  -3.315  -0.505   4.367
   43   HG23  THR   6          HG23      THR   6  -2.842  -1.788   3.253
   44    H    LEU   7           H        LEU   7  -7.389  -1.312   3.156
   45    HA   LEU   7           HA       LEU   7  -9.098  -1.653   0.844
   46    HB2  LEU   7           HB1      LEU   7  -9.467  -1.053   3.718
   47    HB3  LEU   7           HB2      LEU   7 -10.692  -0.429   2.615
   48    HG   LEU   7           HG       LEU   7 -11.319  -2.587   3.621
   49   HD11  LEU   7          HD11      LEU   7 -12.061  -3.636   1.599
   50   HD12  LEU   7          HD12      LEU   7 -10.808  -2.826   0.662
   51   HD13  LEU   7          HD13      LEU   7 -12.120  -1.888   1.375
   52   HD21  LEU   7          HD21      LEU   7  -8.960  -3.445   3.742
   53   HD22  LEU   7          HD22      LEU   7  -9.069  -3.779   2.013
   54   HD23  LEU   7          HD23      LEU   7 -10.151  -4.599   3.142
   55    H    GLN   8           H        GLN   8  -7.606   0.961   2.650
   56    HA   GLN   8           HA       GLN   8  -8.937   2.967   1.001
   57    HB2  GLN   8           HB1      GLN   8  -7.207   3.088   3.454
   58    HB3  GLN   8           HB2      GLN   8  -7.505   4.530   2.492
   59    HG2  GLN   8           HG1      GLN   8  -9.860   2.937   3.307
   60    HG3  GLN   8           HG2      GLN   8  -9.016   3.843   4.563
   61   HE21  GLN   8          HE21      GLN   8  -9.686   5.835   4.874
   62   HE22  GLN   8          HE22      GLN   8 -10.505   6.829   3.722
   63    H    SER   9           H        SER   9  -6.727   1.000   0.163
   64    HA   SER   9           HA       SER   9  -4.856   0.982  -1.141
   65    HB2  SER   9           HB1      SER   9  -6.193   3.549  -1.995
   66    HB3  SER   9           HB2      SER   9  -4.738   2.940  -2.784
   67    HG   SER   9           HG       SER   9  -6.031   0.916  -3.008
   68    H    CYS  10           H        CYS  10  -3.322   1.077   0.521
   69    HA   CYS  10           HA       CYS  10  -2.353   3.654   1.425
   70    HB2  CYS  10           HB1      CYS  10  -0.788   2.308   2.799
   71    HB3  CYS  10           HB2      CYS  10  -2.471   1.851   3.046
   72    H    PHE  11           H        PHE  11  -0.202   4.393   1.157
   73    HA   PHE  11           HA       PHE  11   0.864   3.848  -1.459
   74    HB2  PHE  11           HB1      PHE  11   1.579   5.758   0.750
   75    HB3  PHE  11           HB2      PHE  11   2.644   5.543  -0.635
   76    HD1  PHE  11           HD1      PHE  11  -0.888   6.330   0.226
   77    HD2  PHE  11           HD2      PHE  11   2.308   6.795  -2.547
   78    HE1  PHE  11           HE1      PHE  11  -2.239   7.938  -1.057
   79    HE2  PHE  11           HE2      PHE  11   0.962   8.405  -3.833
   80    HZ   PHE  11           HZ       PHE  11  -1.315   8.977  -3.089
   81    HA   PRO  12           HA       PRO  12   4.000   0.948  -0.455
   82    HB2  PRO  12           HB1      PRO  12   5.980   1.685  -2.160
   83    HB3  PRO  12           HB2      PRO  12   4.498   0.884  -2.698
   84    HG2  PRO  12           HG1      PRO  12   5.210   3.792  -2.755
   85    HG3  PRO  12           HG2      PRO  12   4.415   2.810  -3.999
   86    HD2  PRO  12           HD1      PRO  12   3.042   4.456  -2.345
   87    HD3  PRO  12           HD2      PRO  12   2.359   2.940  -2.967
   88    H    ASP  13           H        ASP  13   5.742   0.685   0.875
   89    HA   ASP  13           HA       ASP  13   7.290   3.068   1.617
   90    HB2  ASP  13           HB1      ASP  13   5.353   2.316   3.249
   91    HB3  ASP  13           HB2      ASP  13   6.539   1.115   3.751
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1   9.082   2.278   0.287
    2    HA2  GLY   1           HA1      GLY   1  10.451   0.802  -0.827
    3    HA3  GLY   1           HA2      GLY   1  10.507  -0.028   0.721
    4    H    ARG   2           H        ARG   2   8.550  -1.460   1.159
    5    HA   ARG   2           HA       ARG   2   8.180  -3.146  -1.188
    6    HB2  ARG   2           HB1      ARG   2   7.630  -3.551   1.750
    7    HB3  ARG   2           HB2      ARG   2   7.129  -4.709   0.524
    8    HG2  ARG   2           HG1      ARG   2   9.458  -5.008  -0.150
    9    HG3  ARG   2           HG2      ARG   2   9.960  -3.844   1.079
   10    HD2  ARG   2           HD1      ARG   2   8.621  -6.507   1.536
   11    HD3  ARG   2           HD2      ARG   2  10.291  -6.082   1.912
   12    HE   ARG   2           HE       ARG   2   8.000  -5.568   3.515
   13   HH11  ARG   2          HH11      ARG   2  11.102  -4.277   2.603
   14   HH12  ARG   2          HH12      ARG   2  11.310  -3.386   4.074
   15   HH21  ARG   2          HH21      ARG   2   8.262  -4.399   5.456
   16   HH22  ARG   2          HH22      ARG   2   9.694  -3.457   5.697
   17    HA   PRO   3           HA       PRO   3   4.017  -2.026  -2.009
   18    HB2  PRO   3           HB1      PRO   3   2.959  -4.404  -2.781
   19    HB3  PRO   3           HB2      PRO   3   4.094  -3.487  -3.780
   20    HG2  PRO   3           HG1      PRO   3   4.610  -5.832  -1.993
   21    HG3  PRO   3           HG2      PRO   3   5.234  -5.508  -3.621
   22    HD2  PRO   3           HD1      PRO   3   6.696  -5.064  -1.385
   23    HD3  PRO   3           HD2      PRO   3   6.862  -4.071  -2.847
   24    H    CYS   4           H        CYS   4   2.067  -1.855  -1.004
   25    HA   CYS   4           HA       CYS   4   1.573  -3.658   1.276
   26    HB2  CYS   4           HB1      CYS   4   0.496  -1.758   2.418
   27    HB3  CYS   4           HB2      CYS   4   2.187  -1.426   2.056
   28    H    TYR   5           H        TYR   5  -0.624  -4.121   1.780
   29    HA   TYR   5           HA       TYR   5  -2.473  -3.687  -0.475
   30    HB2  TYR   5           HB1      TYR   5  -2.295  -6.110   1.327
   31    HB3  TYR   5           HB2      TYR   5  -3.459  -5.882   0.027
   32    HD1  TYR   5           HD1      TYR   5  -2.416  -5.442  -2.343
   33    HD2  TYR   5           HD2      TYR   5  -0.335  -7.265   0.889
   34    HE1  TYR   5           HE1      TYR   5  -0.843  -6.459  -3.937
   35    HE2  TYR   5           HE2      TYR   5   1.245  -8.286  -0.694
   36    HH   TYR   5           HH       TYR   5   0.893  -7.818  -4.198
   37    H    THR   6           H        THR   6  -4.005  -2.307   0.106
   38    HA   THR   6           HA       THR   6  -5.441  -2.743   2.606
   39    HB   THR   6           HB       THR   6  -5.313  -0.484   3.362
   40    HG1  THR   6           HG1      THR   6  -4.799   1.111   2.059
   41   HG21  THR   6          HG21      THR   6  -2.997  -0.263   3.926
   42   HG22  THR   6          HG22      THR   6  -2.508  -1.219   2.526
   43   HG23  THR   6          HG23      THR   6  -3.366  -1.986   3.863
   44    H    LEU   7           H        LEU   7  -7.525  -1.714   2.668
   45    HA   LEU   7           HA       LEU   7  -8.717  -1.543   0.034
   46    HB2  LEU   7           HB1      LEU   7  -9.739  -2.783   1.961
   47    HB3  LEU   7           HB2      LEU   7 -10.053  -1.221   2.714
   48    HG   LEU   7           HG       LEU   7 -11.476  -0.636   0.753
   49   HD11  LEU   7          HD11      LEU   7 -10.932  -1.900  -1.052
   50   HD12  LEU   7          HD12      LEU   7 -12.254  -2.883  -0.425
   51   HD13  LEU   7          HD13      LEU   7 -10.583  -3.335  -0.086
   52   HD21  LEU   7          HD21      LEU   7 -12.028  -2.737   2.738
   53   HD22  LEU   7          HD22      LEU   7 -13.154  -2.658   1.383
   54   HD23  LEU   7          HD23      LEU   7 -12.892  -1.237   2.397
   55    H    GLN   8           H        GLN   8  -7.711   0.590   2.563
   56    HA   GLN   8           HA       GLN   8  -9.230   2.834   1.501
   57    HB2  GLN   8           HB1      GLN   8  -7.437   2.462   3.885
   58    HB3  GLN   8           HB2      GLN   8  -7.929   4.068   3.361
   59    HG2  GLN   8           HG1      GLN   8 -10.190   3.644   3.811
   60    HG3  GLN   8           HG2      GLN   8  -9.926   1.905   3.927
   61   HE21  GLN   8          HE21      GLN   8 -10.256   4.757   5.630
   62   HE22  GLN   8          HE22      GLN   8  -9.695   4.212   7.171
   63    H    SER   9           H        SER   9  -6.888   1.394   0.140
   64    HA   SER   9           HA       SER   9  -5.210   1.960  -1.287
   65    HB2  SER   9           HB1      SER   9  -6.946   3.838  -1.771
   66    HB3  SER   9           HB2      SER   9  -5.829   4.873  -0.883
   67    HG   SER   9           HG       SER   9  -5.596   4.599  -3.298
   68    H    CYS  10           H        CYS  10  -3.327   1.467  -0.341
   69    HA   CYS  10           HA       CYS  10  -2.182   3.399   1.564
   70    HB2  CYS  10           HB1      CYS  10  -2.334   1.405   2.757
   71    HB3  CYS  10           HB2      CYS  10  -1.979   0.417   1.344
   72    H    PHE  11           H        PHE  11  -0.151   4.198   1.238
   73    HA   PHE  11           HA       PHE  11   0.903   3.959  -1.443
   74    HB2  PHE  11           HB1      PHE  11   1.511   5.701   0.924
   75    HB3  PHE  11           HB2      PHE  11   2.644   5.615  -0.421
   76    HD1  PHE  11           HD1      PHE  11  -0.917   6.312   0.374
   77    HD2  PHE  11           HD2      PHE  11   2.338   6.946  -2.294
   78    HE1  PHE  11           HE1      PHE  11  -2.248   7.983  -0.847
   79    HE2  PHE  11           HE2      PHE  11   1.012   8.619  -3.519
   80    HZ   PHE  11           HZ       PHE  11  -1.284   9.138  -2.796
   81    HA   PRO  12           HA       PRO  12   4.116   1.070  -0.676
   82    HB2  PRO  12           HB1      PRO  12   6.073   2.000  -2.311
   83    HB3  PRO  12           HB2      PRO  12   4.614   1.207  -2.916
   84    HG2  PRO  12           HG1      PRO  12   5.244   4.128  -2.730
   85    HG3  PRO  12           HG2      PRO  12   4.476   3.230  -4.052
   86    HD2  PRO  12           HD1      PRO  12   3.058   4.694  -2.270
   87    HD3  PRO  12           HD2      PRO  12   2.417   3.217  -3.017
   88    H    ASP  13           H        ASP  13   5.802   0.752   0.691
   89    HA   ASP  13           HA       ASP  13   7.286   3.114   1.629
   90    HB2  ASP  13           HB1      ASP  13   5.857   1.032   3.252
   91    HB3  ASP  13           HB2      ASP  13   7.270   1.851   3.911
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1   9.211   2.266   0.473
    2    HA2  GLY   1           HA1      GLY   1  10.473   0.784  -0.797
    3    HA3  GLY   1           HA2      GLY   1  10.499  -0.069   0.740
    4    H    ARG   2           H        ARG   2   8.563  -1.509   1.137
    5    HA   ARG   2           HA       ARG   2   8.161  -3.123  -1.255
    6    HB2  ARG   2           HB1      ARG   2   7.703  -3.606   1.682
    7    HB3  ARG   2           HB2      ARG   2   7.093  -4.710   0.456
    8    HG2  ARG   2           HG1      ARG   2   9.988  -3.938   0.620
    9    HG3  ARG   2           HG2      ARG   2   9.311  -5.293   1.525
   10    HD2  ARG   2           HD1      ARG   2   8.737  -5.150  -1.382
   11    HD3  ARG   2           HD2      ARG   2  10.373  -5.586  -0.893
   12    HE   ARG   2           HE       ARG   2   8.077  -7.241  -0.774
   13   HH11  ARG   2          HH11      ARG   2  11.002  -6.468   0.949
   14   HH12  ARG   2          HH12      ARG   2  11.133  -8.028   1.690
   15   HH21  ARG   2          HH21      ARG   2   8.239  -9.299   0.195
   16   HH22  ARG   2          HH22      ARG   2   9.561  -9.639   1.260
   17    HA   PRO   3           HA       PRO   3   3.987  -1.981  -1.985
   18    HB2  PRO   3           HB1      PRO   3   2.907  -4.338  -2.789
   19    HB3  PRO   3           HB2      PRO   3   4.029  -3.406  -3.787
   20    HG2  PRO   3           HG1      PRO   3   4.564  -5.789  -2.056
   21    HG3  PRO   3           HG2      PRO   3   5.164  -5.433  -3.686
   22    HD2  PRO   3           HD1      PRO   3   6.663  -5.042  -1.465
   23    HD3  PRO   3           HD2      PRO   3   6.809  -4.019  -2.909
   24    H    CYS   4           H        CYS   4   2.018  -1.864  -0.985
   25    HA   CYS   4           HA       CYS   4   1.582  -3.678   1.298
   26    HB2  CYS   4           HB1      CYS   4   0.428  -1.775   2.412
   27    HB3  CYS   4           HB2      CYS   4   2.139  -1.474   2.125
   28    H    TYR   5           H        TYR   5  -0.629  -4.120   1.853
   29    HA   TYR   5           HA       TYR   5  -2.481  -3.779  -0.414
   30    HB2  TYR   5           HB1      TYR   5  -2.428  -6.122   1.494
   31    HB3  TYR   5           HB2      TYR   5  -3.402  -5.959   0.038
   32    HD1  TYR   5           HD1      TYR   5  -1.424  -4.979  -1.906
   33    HD2  TYR   5           HD2      TYR   5  -1.051  -7.958   1.108
   34    HE1  TYR   5           HE1      TYR   5   0.347  -6.072  -3.216
   35    HE2  TYR   5           HE2      TYR   5   0.723  -9.060  -0.192
   36    HH   TYR   5           HH       TYR   5   1.563  -7.982  -3.433
   37    H    THR   6           H        THR   6  -3.985  -2.351   0.133
   38    HA   THR   6           HA       THR   6  -5.452  -2.725   2.625
   39    HB   THR   6           HB       THR   6  -5.295  -0.464   3.354
   40    HG1  THR   6           HG1      THR   6  -3.948  -0.023   0.887
   41   HG21  THR   6          HG21      THR   6  -3.009  -0.282   3.965
   42   HG22  THR   6          HG22      THR   6  -2.482  -1.162   2.530
   43   HG23  THR   6          HG23      THR   6  -3.338  -2.008   3.819
   44    H    LEU   7           H        LEU   7  -7.536  -1.740   2.631
   45    HA   LEU   7           HA       LEU   7  -8.676  -1.542  -0.024
   46    HB2  LEU   7           HB1      LEU   7 -10.739  -1.849   0.963
   47    HB3  LEU   7           HB2      LEU   7  -9.664  -2.761   2.020
   48    HG   LEU   7           HG       LEU   7 -10.588   0.041   2.629
   49   HD11  LEU   7          HD11      LEU   7 -11.968  -2.537   2.931
   50   HD12  LEU   7          HD12      LEU   7 -12.615  -0.898   2.872
   51   HD13  LEU   7          HD13      LEU   7 -11.934  -1.523   4.373
   52   HD21  LEU   7          HD21      LEU   7  -9.223  -2.126   4.211
   53   HD22  LEU   7          HD22      LEU   7  -9.980  -0.716   4.955
   54   HD23  LEU   7          HD23      LEU   7  -8.627  -0.507   3.842
   55    H    GLN   8           H        GLN   8  -7.694   0.568   2.522
   56    HA   GLN   8           HA       GLN   8  -9.226   2.815   1.482
   57    HB2  GLN   8           HB1      GLN   8  -7.604   2.296   3.923
   58    HB3  GLN   8           HB2      GLN   8  -7.738   3.961   3.375
   59    HG2  GLN   8           HG1      GLN   8 -10.221   3.679   3.396
   60    HG3  GLN   8           HG2      GLN   8  -9.972   2.110   4.161
   61   HE21  GLN   8          HE21      GLN   8 -10.793   2.477   6.134
   62   HE22  GLN   8          HE22      GLN   8 -10.209   3.672   7.236
   63    H    SER   9           H        SER   9  -6.874   1.402   0.114
   64    HA   SER   9           HA       SER   9  -5.194   1.994  -1.302
   65    HB2  SER   9           HB1      SER   9  -5.845   4.895  -0.850
   66    HB3  SER   9           HB2      SER   9  -5.257   4.111  -2.315
   67    HG   SER   9           HG       SER   9  -7.362   4.357  -2.722
   68    H    CYS  10           H        CYS  10  -3.312   1.492  -0.364
   69    HA   CYS  10           HA       CYS  10  -2.177   3.396   1.578
   70    HB2  CYS  10           HB1      CYS  10  -2.329   1.376   2.729
   71    HB3  CYS  10           HB2      CYS  10  -1.953   0.418   1.300
   72    H    PHE  11           H        PHE  11  -0.148   4.207   1.271
   73    HA   PHE  11           HA       PHE  11   0.910   4.033  -1.413
   74    HB2  PHE  11           HB1      PHE  11   1.588   5.687   1.007
   75    HB3  PHE  11           HB2      PHE  11   2.632   5.676  -0.410
   76    HD1  PHE  11           HD2      PHE  11   1.582   6.298  -2.654
   77    HD2  PHE  11           HD1      PHE  11  -0.266   7.082   1.099
   78    HE1  PHE  11           HE2      PHE  11   0.164   8.007  -3.713
   79    HE2  PHE  11           HE1      PHE  11  -1.688   8.791   0.046
   80    HZ   PHE  11           HZ       PHE  11  -1.473   9.257  -2.363
   81    HA   PRO  12           HA       PRO  12   4.118   1.118  -0.729
   82    HB2  PRO  12           HB1      PRO  12   6.077   2.091  -2.336
   83    HB3  PRO  12           HB2      PRO  12   4.617   1.318  -2.962
   84    HG2  PRO  12           HG1      PRO  12   5.251   4.231  -2.694
   85    HG3  PRO  12           HG2      PRO  12   4.483   3.373  -4.042
   86    HD2  PRO  12           HD1      PRO  12   3.066   4.788  -2.219
   87    HD3  PRO  12           HD2      PRO  12   2.423   3.333  -3.007
   88    H    ASP  13           H        ASP  13   5.781   0.761   0.650
   89    HA   ASP  13           HA       ASP  13   7.295   3.084   1.632
   90    HB2  ASP  13           HB1      ASP  13   5.534   2.496   3.265
   91    HB3  ASP  13           HB2      ASP  13   6.182   0.862   3.357
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1   9.137   1.891  -0.283
    2    HA2  GLY   1           HA1      GLY   1  10.440   0.088  -0.861
    3    HA3  GLY   1           HA2      GLY   1  10.477  -0.232   0.867
    4    H    ARG   2           H        ARG   2   8.122  -1.116   1.572
    5    HA   ARG   2           HA       ARG   2   7.856  -3.596   0.070
    6    HB2  ARG   2           HB1      ARG   2   7.053  -2.668   2.796
    7    HB3  ARG   2           HB2      ARG   2   6.200  -4.028   2.078
    8    HG2  ARG   2           HG1      ARG   2   8.613  -4.940   1.659
    9    HG3  ARG   2           HG2      ARG   2   9.036  -3.820   2.955
   10    HD2  ARG   2           HD1      ARG   2   8.605  -5.872   4.020
   11    HD3  ARG   2           HD2      ARG   2   7.165  -4.891   4.292
   12    HE   ARG   2           HE       ARG   2   6.818  -6.440   1.969
   13   HH11  ARG   2          HH11      ARG   2   7.001  -6.771   5.431
   14   HH12  ARG   2          HH12      ARG   2   5.994  -8.180   5.480
   15   HH21  ARG   2          HH21      ARG   2   5.491  -8.295   2.022
   16   HH22  ARG   2          HH22      ARG   2   5.136  -9.047   3.541
   17    HA   PRO   3           HA       PRO   3   4.046  -2.687  -1.903
   18    HB2  PRO   3           HB1      PRO   3   2.711  -5.042  -1.696
   19    HB3  PRO   3           HB2      PRO   3   4.098  -4.815  -2.767
   20    HG2  PRO   3           HG1      PRO   3   3.989  -6.063  -0.048
   21    HG3  PRO   3           HG2      PRO   3   4.857  -6.608  -1.495
   22    HD2  PRO   3           HD1      PRO   3   6.081  -5.286   0.527
   23    HD3  PRO   3           HD2      PRO   3   6.592  -5.126  -1.166
   24    H    CYS   4           H        CYS   4   2.294  -1.584  -1.298
   25    HA   CYS   4           HA       CYS   4   1.052  -2.242   1.294
   26    HB2  CYS   4           HB1      CYS   4   2.272   0.101   0.691
   27    HB3  CYS   4           HB2      CYS   4   0.630   0.462   0.170
   28    H    TYR   5           H        TYR   5  -0.542  -3.600   0.543
   29    HA   TYR   5           HA       TYR   5  -2.525  -2.374  -1.261
   30    HB2  TYR   5           HB1      TYR   5  -1.711  -5.273  -1.004
   31    HB3  TYR   5           HB2      TYR   5  -3.132  -4.736  -1.893
   32    HD1  TYR   5           HD2      TYR   5   0.562  -4.276  -1.729
   33    HD2  TYR   5           HD1      TYR   5  -2.942  -4.152  -4.140
   34    HE1  TYR   5           HE2      TYR   5   1.954  -3.918  -3.725
   35    HE2  TYR   5           HE1      TYR   5  -1.559  -3.795  -6.142
   36    HH   TYR   5           HH       TYR   5   0.641  -2.985  -6.740
   37    H    THR   6           H        THR   6  -4.139  -1.683  -0.009
   38    HA   THR   6           HA       THR   6  -5.545  -3.611   1.644
   39    HB   THR   6           HB       THR   6  -5.645  -2.106   3.605
   40    HG1  THR   6           HG1      THR   6  -3.763  -0.613   2.077
   41   HG21  THR   6          HG21      THR   6  -3.960  -3.958   3.408
   42   HG22  THR   6          HG22      THR   6  -3.496  -2.653   4.500
   43   HG23  THR   6          HG23      THR   6  -2.787  -2.749   2.889
   44    H    LEU   7           H        LEU   7  -7.570  -2.538   2.606
   45    HA   LEU   7           HA       LEU   7  -9.167  -1.573   0.550
   46    HB2  LEU   7           HB1      LEU   7  -9.406  -1.719   3.504
   47    HB3  LEU   7           HB2      LEU   7 -10.549  -0.690   2.643
   48    HG   LEU   7           HG       LEU   7 -10.983  -2.814   1.209
   49   HD11  LEU   7          HD11      LEU   7  -9.302  -3.828   3.398
   50   HD12  LEU   7          HD12      LEU   7  -9.593  -4.483   1.786
   51   HD13  LEU   7          HD13      LEU   7 -10.768  -4.753   3.073
   52   HD21  LEU   7          HD21      LEU   7 -11.945  -2.219   3.976
   53   HD22  LEU   7          HD22      LEU   7 -12.537  -3.644   3.120
   54   HD23  LEU   7          HD23      LEU   7 -12.781  -2.038   2.433
   55    H    GLN   8           H        GLN   8  -7.277   0.167   2.948
   56    HA   GLN   8           HA       GLN   8  -8.346   2.739   2.341
   57    HB2  GLN   8           HB1      GLN   8  -5.831   1.865   3.760
   58    HB3  GLN   8           HB2      GLN   8  -6.296   3.552   3.580
   59    HG2  GLN   8           HG1      GLN   8  -7.142   3.115   5.646
   60    HG3  GLN   8           HG2      GLN   8  -8.540   2.716   4.648
   61   HE21  GLN   8          HE21      GLN   8  -9.443   1.258   6.028
   62   HE22  GLN   8          HE22      GLN   8  -8.723  -0.264   6.416
   63    H    SER   9           H        SER   9  -6.006   0.712   0.869
   64    HA   SER   9           HA       SER   9  -4.764   0.938  -1.027
   65    HB2  SER   9           HB1      SER   9  -6.917   2.275  -1.692
   66    HB3  SER   9           HB2      SER   9  -5.871   3.684  -1.513
   67    HG   SER   9           HG       SER   9  -6.072   2.248  -3.626
   68    H    CYS  10           H        CYS  10  -3.518   1.519   1.315
   69    HA   CYS  10           HA       CYS  10  -2.286   4.031   1.496
   70    HB2  CYS  10           HB1      CYS  10  -0.554   2.814   2.856
   71    HB3  CYS  10           HB2      CYS  10  -2.215   2.561   3.384
   72    H    PHE  11           H        PHE  11  -0.167   4.704   0.941
   73    HA   PHE  11           HA       PHE  11   0.666   3.795  -1.656
   74    HB2  PHE  11           HB1      PHE  11   1.597   5.960   0.212
   75    HB3  PHE  11           HB2      PHE  11   2.516   5.554  -1.233
   76    HD1  PHE  11           HD2      PHE  11   1.390   5.744  -3.475
   77    HD2  PHE  11           HD1      PHE  11  -0.303   7.321   0.098
   78    HE1  PHE  11           HE2      PHE  11  -0.072   7.200  -4.814
   79    HE2  PHE  11           HE1      PHE  11  -1.768   8.780  -1.236
   80    HZ   PHE  11           HZ       PHE  11  -1.653   8.721  -3.696
   81    HA   PRO  12           HA       PRO  12   3.865   1.000  -0.559
   82    HB2  PRO  12           HB1      PRO  12   5.697   1.483  -2.504
   83    HB3  PRO  12           HB2      PRO  12   4.170   0.645  -2.808
   84    HG2  PRO  12           HG1      PRO  12   4.889   3.510  -3.297
   85    HG3  PRO  12           HG2      PRO  12   3.985   2.390  -4.333
   86    HD2  PRO  12           HD1      PRO  12   2.766   4.254  -2.794
   87    HD3  PRO  12           HD2      PRO  12   2.025   2.683  -3.157
   88    H    ASP  13           H        ASP  13   5.862   0.839   0.466
   89    HA   ASP  13           HA       ASP  13   7.513   3.217   0.746
   90    HB2  ASP  13           HB1      ASP  13   6.244   1.842   3.124
   91    HB3  ASP  13           HB2      ASP  13   7.496   3.076   3.221
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1   9.230   2.079   0.045
    2    HA2  GLY   1           HA1      GLY   1   9.972   0.421  -1.509
    3    HA3  GLY   1           HA2      GLY   1  10.482  -0.161   0.068
    4    H    ARG   2           H        ARG   2   8.572  -1.359   1.248
    5    HA   ARG   2           HA       ARG   2   8.015  -3.661  -0.321
    6    HB2  ARG   2           HB1      ARG   2   7.405  -2.774   2.460
    7    HB3  ARG   2           HB2      ARG   2   6.473  -4.107   1.792
    8    HG2  ARG   2           HG1      ARG   2   8.912  -4.965   1.157
    9    HG3  ARG   2           HG2      ARG   2   9.323  -3.980   2.563
   10    HD2  ARG   2           HD1      ARG   2   8.118  -5.300   4.010
   11    HD3  ARG   2           HD2      ARG   2   7.031  -5.876   2.745
   12    HE   ARG   2           HE       ARG   2   8.455  -7.621   2.399
   13   HH11  ARG   2          HH11      ARG   2  10.192  -5.078   4.021
   14   HH12  ARG   2          HH12      ARG   2  11.636  -6.014   4.225
   15   HH21  ARG   2          HH21      ARG   2  10.350  -8.866   2.661
   16   HH22  ARG   2          HH22      ARG   2  11.724  -8.169   3.450
   17    HA   PRO   3           HA       PRO   3   4.073  -2.814  -2.050
   18    HB2  PRO   3           HB1      PRO   3   2.798  -5.196  -1.779
   19    HB3  PRO   3           HB2      PRO   3   4.112  -4.935  -2.932
   20    HG2  PRO   3           HG1      PRO   3   4.194  -6.202  -0.221
   21    HG3  PRO   3           HG2      PRO   3   4.981  -6.721  -1.723
   22    HD2  PRO   3           HD1      PRO   3   6.302  -5.389   0.230
   23    HD3  PRO   3           HD2      PRO   3   6.705  -5.207  -1.490
   24    H    CYS   4           H        CYS   4   2.520  -1.591  -1.200
   25    HA   CYS   4           HA       CYS   4   1.352  -2.384   1.386
   26    HB2  CYS   4           HB1      CYS   4   2.639  -0.121   1.049
   27    HB3  CYS   4           HB2      CYS   4   1.135   0.399   0.299
   28    H    TYR   5           H        TYR   5  -0.407  -3.558   0.823
   29    HA   TYR   5           HA       TYR   5  -2.363  -2.261  -0.958
   30    HB2  TYR   5           HB1      TYR   5  -2.077  -5.235  -0.515
   31    HB3  TYR   5           HB2      TYR   5  -3.100  -4.427  -1.697
   32    HD1  TYR   5           HD1      TYR   5  -1.254  -2.444  -2.840
   33    HD2  TYR   5           HD2      TYR   5  -0.584  -6.507  -1.767
   34    HE1  TYR   5           HE1      TYR   5   0.555  -2.578  -4.501
   35    HE2  TYR   5           HE2      TYR   5   1.228  -6.651  -3.425
   36    HH   TYR   5           HH       TYR   5   1.866  -4.049  -5.681
   37    H    THR   6           H        THR   6  -3.989  -1.473   0.191
   38    HA   THR   6           HA       THR   6  -5.183  -3.152   2.280
   39    HB   THR   6           HB       THR   6  -5.573  -1.049   3.642
   40    HG1  THR   6           HG1      THR   6  -4.730   0.770   2.957
   41   HG21  THR   6          HG21      THR   6  -3.264  -1.058   4.597
   42   HG22  THR   6          HG22      THR   6  -2.762  -2.072   3.244
   43   HG23  THR   6          HG23      THR   6  -3.961  -2.664   4.392
   44    H    LEU   7           H        LEU   7  -7.275  -1.806   3.084
   45    HA   LEU   7           HA       LEU   7  -9.061  -1.863   0.901
   46    HB2  LEU   7           HB1      LEU   7  -9.202  -1.221   3.775
   47    HB3  LEU   7           HB2      LEU   7 -10.454  -0.499   2.767
   48    HG   LEU   7           HG       LEU   7 -11.184  -2.601   3.797
   49   HD11  LEU   7          HD11      LEU   7 -11.664  -1.774   1.297
   50   HD12  LEU   7          HD12      LEU   7 -12.380  -3.229   1.987
   51   HD13  LEU   7          HD13      LEU   7 -10.959  -3.352   0.950
   52   HD21  LEU   7          HD21      LEU   7  -9.195  -4.029   2.059
   53   HD22  LEU   7          HD22      LEU   7 -10.176  -4.674   3.376
   54   HD23  LEU   7          HD23      LEU   7  -8.830  -3.590   3.728
   55    H    GLN   8           H        GLN   8  -7.450   0.776   2.595
   56    HA   GLN   8           HA       GLN   8  -8.747   2.735   0.858
   57    HB2  GLN   8           HB1      GLN   8  -6.992   3.016   3.296
   58    HB3  GLN   8           HB2      GLN   8  -7.505   4.387   2.322
   59    HG2  GLN   8           HG1      GLN   8  -9.646   2.585   3.237
   60    HG3  GLN   8           HG2      GLN   8  -8.821   3.510   4.489
   61   HE21  GLN   8          HE21      GLN   8  -9.587   5.454   4.891
   62   HE22  GLN   8          HE22      GLN   8 -10.555   6.409   3.824
   63    H    SER   9           H        SER   9  -6.518   0.736   0.163
   64    HA   SER   9           HA       SER   9  -4.596   0.670  -1.064
   65    HB2  SER   9           HB1      SER   9  -5.270   3.374  -2.173
   66    HB3  SER   9           HB2      SER   9  -4.642   1.952  -3.005
   67    HG   SER   9           HG       SER   9  -7.273   2.534  -2.206
   68    H    CYS  10           H        CYS  10  -3.478   1.012   1.051
   69    HA   CYS  10           HA       CYS  10  -2.472   3.549   1.786
   70    HB2  CYS  10           HB1      CYS  10  -0.905   2.276   3.216
   71    HB3  CYS  10           HB2      CYS  10  -2.567   1.720   3.388
   72    H    PHE  11           H        PHE  11  -0.594   4.592   1.307
   73    HA   PHE  11           HA       PHE  11   0.609   4.172  -1.181
   74    HB2  PHE  11           HB1      PHE  11   1.342   5.814   1.222
   75    HB3  PHE  11           HB2      PHE  11   2.445   5.711  -0.147
   76    HD1  PHE  11           HD2      PHE  11   1.377   6.211  -2.482
   77    HD2  PHE  11           HD1      PHE  11  -0.268   7.456   1.243
   78    HE1  PHE  11           HE2      PHE  11   0.112   7.979  -3.634
   79    HE2  PHE  11           HE1      PHE  11  -1.535   9.225   0.095
   80    HZ   PHE  11           HZ       PHE  11  -1.347   9.488  -2.347
   81    HA   PRO  12           HA       PRO  12   3.694   1.115  -0.553
   82    HB2  PRO  12           HB1      PRO  12   5.681   2.011  -2.171
   83    HB3  PRO  12           HB2      PRO  12   4.181   1.310  -2.789
   84    HG2  PRO  12           HG1      PRO  12   4.950   4.189  -2.505
   85    HG3  PRO  12           HG2      PRO  12   4.130   3.377  -3.852
   86    HD2  PRO  12           HD1      PRO  12   2.797   4.841  -2.005
   87    HD3  PRO  12           HD2      PRO  12   2.082   3.423  -2.797
   88    H    ASP  13           H        ASP  13   5.922   0.747   0.180
   89    HA   ASP  13           HA       ASP  13   7.315   2.981   1.391
   90    HB2  ASP  13           HB1      ASP  13   7.381   1.712   3.623
   91    HB3  ASP  13           HB2      ASP  13   5.897   2.575   3.225
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1   9.259   2.096  -0.022
    2    HA2  GLY   1           HA1      GLY   1  10.365   0.327  -1.105
    3    HA3  GLY   1           HA2      GLY   1  10.536  -0.118   0.586
    4    H    ARG   2           H        ARG   2   8.248  -1.127   1.373
    5    HA   ARG   2           HA       ARG   2   7.965  -3.504  -0.282
    6    HB2  ARG   2           HB1      ARG   2   7.379  -2.803   2.552
    7    HB3  ARG   2           HB2      ARG   2   6.425  -4.082   1.813
    8    HG2  ARG   2           HG1      ARG   2   8.858  -4.907   1.090
    9    HG3  ARG   2           HG2      ARG   2   9.280  -4.035   2.565
   10    HD2  ARG   2           HD1      ARG   2   7.049  -6.044   2.484
   11    HD3  ARG   2           HD2      ARG   2   8.722  -6.520   2.777
   12    HE   ARG   2           HE       ARG   2   7.929  -4.423   4.520
   13   HH11  ARG   2          HH11      ARG   2   7.622  -7.849   3.987
   14   HH12  ARG   2          HH12      ARG   2   7.359  -8.218   5.658
   15   HH21  ARG   2          HH21      ARG   2   7.584  -4.896   6.725
   16   HH22  ARG   2          HH22      ARG   2   7.338  -6.538   7.215
   17    HA   PRO   3           HA       PRO   3   4.008  -2.594  -1.943
   18    HB2  PRO   3           HB1      PRO   3   2.766  -5.004  -1.828
   19    HB3  PRO   3           HB2      PRO   3   4.073  -4.651  -2.964
   20    HG2  PRO   3           HG1      PRO   3   4.180  -6.094  -0.344
   21    HG3  PRO   3           HG2      PRO   3   4.969  -6.502  -1.878
   22    HD2  PRO   3           HD1      PRO   3   6.278  -5.285   0.155
   23    HD3  PRO   3           HD2      PRO   3   6.673  -4.986  -1.549
   24    H    CYS   4           H        CYS   4   2.422  -1.467  -1.028
   25    HA   CYS   4           HA       CYS   4   1.206  -2.500   1.451
   26    HB2  CYS   4           HB1      CYS   4   2.614  -0.201   1.300
   27    HB3  CYS   4           HB2      CYS   4   1.015   0.401   0.877
   28    H    TYR   5           H        TYR   5  -0.541  -3.527   0.572
   29    HA   TYR   5           HA       TYR   5  -2.415  -1.838  -0.954
   30    HB2  TYR   5           HB1      TYR   5  -2.111  -4.843  -1.127
   31    HB3  TYR   5           HB2      TYR   5  -3.223  -3.854  -2.067
   32    HD1  TYR   5           HD1      TYR   5  -1.986  -1.858  -3.379
   33    HD2  TYR   5           HD2      TYR   5  -0.173  -5.513  -2.172
   34    HE1  TYR   5           HE1      TYR   5  -0.270  -1.574  -5.118
   35    HE2  TYR   5           HE2      TYR   5   1.549  -5.239  -3.907
   36    HH   TYR   5           HH       TYR   5   1.542  -3.855  -6.303
   37    H    THR   6           H        THR   6  -4.237  -1.389   0.072
   38    HA   THR   6           HA       THR   6  -5.517  -3.376   1.760
   39    HB   THR   6           HB       THR   6  -5.791  -1.808   3.659
   40    HG1  THR   6           HG1      THR   6  -5.203   0.195   3.372
   41   HG21  THR   6          HG21      THR   6  -2.909  -2.382   2.957
   42   HG22  THR   6          HG22      THR   6  -4.029  -3.519   3.709
   43   HG23  THR   6          HG23      THR   6  -3.540  -2.060   4.571
   44    H    LEU   7           H        LEU   7  -7.585  -2.233   2.775
   45    HA   LEU   7           HA       LEU   7  -9.275  -1.594   0.646
   46    HB2  LEU   7           HB1      LEU   7  -9.857  -2.456   2.978
   47    HB3  LEU   7           HB2      LEU   7  -9.785  -0.771   3.489
   48    HG   LEU   7           HG       LEU   7 -11.532  -0.379   1.619
   49   HD11  LEU   7          HD11      LEU   7 -11.392  -3.332   1.771
   50   HD12  LEU   7          HD12      LEU   7 -11.784  -2.281   0.411
   51   HD13  LEU   7          HD13      LEU   7 -12.993  -2.602   1.653
   52   HD21  LEU   7          HD21      LEU   7 -12.000  -0.123   3.986
   53   HD22  LEU   7          HD22      LEU   7 -12.218  -1.865   4.153
   54   HD23  LEU   7          HD23      LEU   7 -13.349  -0.923   3.180
   55    H    GLN   8           H        GLN   8  -7.375   0.442   2.763
   56    HA   GLN   8           HA       GLN   8  -8.580   2.865   1.681
   57    HB2  GLN   8           HB1      GLN   8  -6.417   2.495   3.759
   58    HB3  GLN   8           HB2      GLN   8  -7.120   4.038   3.295
   59    HG2  GLN   8           HG1      GLN   8  -8.821   1.804   4.334
   60    HG3  GLN   8           HG2      GLN   8  -7.970   2.899   5.423
   61   HE21  GLN   8          HE21      GLN   8  -9.043   4.627   6.040
   62   HE22  GLN   8          HE22      GLN   8 -10.379   5.348   5.216
   63    H    SER   9           H        SER   9  -6.746   0.895   0.216
   64    HA   SER   9           HA       SER   9  -4.986   0.930  -1.240
   65    HB2  SER   9           HB1      SER   9  -4.948   2.836  -2.742
   66    HB3  SER   9           HB2      SER   9  -6.623   2.459  -2.339
   67    HG   SER   9           HG       SER   9  -5.771   4.764  -2.213
   68    H    CYS  10           H        CYS  10  -3.589   0.729   0.728
   69    HA   CYS  10           HA       CYS  10  -2.251   2.916   1.863
   70    HB2  CYS  10           HB1      CYS  10  -2.307   0.585   2.785
   71    HB3  CYS  10           HB2      CYS  10  -1.161   0.116   1.533
   72    H    PHE  11           H        PHE  11  -0.135   3.717   1.533
   73    HA   PHE  11           HA       PHE  11   0.651   3.715  -1.271
   74    HB2  PHE  11           HB1      PHE  11   1.205   5.458   1.088
   75    HB3  PHE  11           HB2      PHE  11   2.365   5.452  -0.236
   76    HD1  PHE  11           HD1      PHE  11  -1.235   5.949   0.524
   77    HD2  PHE  11           HD2      PHE  11   1.995   6.744  -2.132
   78    HE1  PHE  11           HE1      PHE  11  -2.647   7.540  -0.712
   79    HE2  PHE  11           HE2      PHE  11   0.588   8.337  -3.372
   80    HZ   PHE  11           HZ       PHE  11  -1.737   8.737  -2.663
   81    HA   PRO  12           HA       PRO  12   4.141   1.088  -0.866
   82    HB2  PRO  12           HB1      PRO  12   5.886   2.237  -2.600
   83    HB3  PRO  12           HB2      PRO  12   4.454   1.345  -3.127
   84    HG2  PRO  12           HG1      PRO  12   4.856   4.300  -2.867
   85    HG3  PRO  12           HG2      PRO  12   4.064   3.389  -4.167
   86    HD2  PRO  12           HD1      PRO  12   2.673   4.664  -2.225
   87    HD3  PRO  12           HD2      PRO  12   2.099   3.165  -2.983
   88    H    ASP  13           H        ASP  13   5.964   0.866   0.341
   89    HA   ASP  13           HA       ASP  13   7.468   3.245   1.127
   90    HB2  ASP  13           HB1      ASP  13   5.935   1.458   2.985
   91    HB3  ASP  13           HB2      ASP  13   7.424   2.219   3.537
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1   9.034   2.276   0.187
    2    HA2  GLY   1           HA1      GLY   1  10.424   0.797  -0.889
    3    HA3  GLY   1           HA2      GLY   1  10.521  -0.004   0.673
    4    H    ARG   2           H        ARG   2   8.537  -1.410   1.175
    5    HA   ARG   2           HA       ARG   2   8.163  -3.170  -1.114
    6    HB2  ARG   2           HB1      ARG   2   7.183  -3.649   1.695
    7    HB3  ARG   2           HB2      ARG   2   7.500  -4.837   0.438
    8    HG2  ARG   2           HG1      ARG   2   9.391  -5.151   1.610
    9    HG3  ARG   2           HG2      ARG   2   9.947  -3.765   0.669
   10    HD2  ARG   2           HD1      ARG   2   9.840  -2.342   2.447
   11    HD3  ARG   2           HD2      ARG   2   8.505  -3.213   3.201
   12    HE   ARG   2           HE       ARG   2  10.627  -4.919   3.392
   13   HH11  ARG   2          HH11      ARG   2  10.012  -1.633   4.366
   14   HH12  ARG   2          HH12      ARG   2  11.067  -1.703   5.738
   15   HH21  ARG   2          HH21      ARG   2  12.020  -5.024   5.195
   16   HH22  ARG   2          HH22      ARG   2  12.209  -3.633   6.208
   17    HA   PRO   3           HA       PRO   3   4.017  -2.013  -1.983
   18    HB2  PRO   3           HB1      PRO   3   2.974  -4.389  -2.785
   19    HB3  PRO   3           HB2      PRO   3   4.117  -3.462  -3.764
   20    HG2  PRO   3           HG1      PRO   3   4.620  -5.819  -1.988
   21    HG3  PRO   3           HG2      PRO   3   5.260  -5.480  -3.606
   22    HD2  PRO   3           HD1      PRO   3   6.697  -5.051  -1.351
   23    HD3  PRO   3           HD2      PRO   3   6.876  -4.045  -2.803
   24    H    CYS   4           H        CYS   4   2.066  -1.843  -0.985
   25    HA   CYS   4           HA       CYS   4   1.542  -3.672   1.266
   26    HB2  CYS   4           HB1      CYS   4   0.456  -1.777   2.416
   27    HB3  CYS   4           HB2      CYS   4   2.158  -1.462   2.089
   28    H    TYR   5           H        TYR   5  -0.651  -4.156   1.731
   29    HA   TYR   5           HA       TYR   5  -2.485  -3.664  -0.524
   30    HB2  TYR   5           HB1      TYR   5  -2.526  -6.114   1.238
   31    HB3  TYR   5           HB2      TYR   5  -3.388  -5.859  -0.274
   32    HD1  TYR   5           HD1      TYR   5  -1.611  -5.126  -2.255
   33    HD2  TYR   5           HD2      TYR   5  -0.794  -7.616   1.096
   34    HE1  TYR   5           HE1      TYR   5   0.241  -6.171  -3.491
   35    HE2  TYR   5           HE2      TYR   5   1.061  -8.667  -0.129
   36    HH   TYR   5           HH       TYR   5   2.086  -8.859  -2.109
   37    H    THR   6           H        THR   6  -3.968  -2.247   0.108
   38    HA   THR   6           HA       THR   6  -5.426  -2.755   2.591
   39    HB   THR   6           HB       THR   6  -5.315  -0.502   3.369
   40    HG1  THR   6           HG1      THR   6  -4.521   1.141   2.174
   41   HG21  THR   6          HG21      THR   6  -2.496  -1.170   2.533
   42   HG22  THR   6          HG22      THR   6  -3.348  -2.022   3.821
   43   HG23  THR   6          HG23      THR   6  -3.023  -0.296   3.971
   44    H    LEU   7           H        LEU   7  -7.513  -1.715   2.674
   45    HA   LEU   7           HA       LEU   7  -8.722  -1.541   0.049
   46    HB2  LEU   7           HB1      LEU   7  -9.696  -1.777   2.845
   47    HB3  LEU   7           HB2      LEU   7 -10.786  -1.079   1.648
   48    HG   LEU   7           HG       LEU   7  -9.489  -3.765   1.261
   49   HD11  LEU   7          HD11      LEU   7 -10.999  -3.397   3.392
   50   HD12  LEU   7          HD12      LEU   7 -11.138  -4.850   2.401
   51   HD13  LEU   7          HD13      LEU   7 -12.296  -3.535   2.205
   52   HD21  LEU   7          HD21      LEU   7 -11.679  -2.205  -0.042
   53   HD22  LEU   7          HD22      LEU   7 -11.709  -3.967  -0.087
   54   HD23  LEU   7          HD23      LEU   7 -10.341  -3.090  -0.774
   55    H    GLN   8           H        GLN   8  -7.702   0.590   2.576
   56    HA   GLN   8           HA       GLN   8  -9.223   2.835   1.521
   57    HB2  GLN   8           HB1      GLN   8  -7.551   2.355   3.943
   58    HB3  GLN   8           HB2      GLN   8  -7.751   4.010   3.385
   59    HG2  GLN   8           HG1      GLN   8  -9.478   3.839   4.869
   60    HG3  GLN   8           HG2      GLN   8 -10.285   3.389   3.368
   61   HE21  GLN   8          HE21      GLN   8 -11.453   1.613   3.420
   62   HE22  GLN   8          HE22      GLN   8 -11.290   0.318   4.552
   63    H    SER   9           H        SER   9  -6.886   1.394   0.151
   64    HA   SER   9           HA       SER   9  -5.213   1.959  -1.282
   65    HB2  SER   9           HB1      SER   9  -5.714   4.883  -0.923
   66    HB3  SER   9           HB2      SER   9  -5.377   3.974  -2.396
   67    HG   SER   9           HG       SER   9  -7.723   4.741  -1.493
   68    H    CYS  10           H        CYS  10  -3.332   1.460  -0.334
   69    HA   CYS  10           HA       CYS  10  -2.176   3.396   1.561
   70    HB2  CYS  10           HB1      CYS  10  -2.337   1.403   2.757
   71    HB3  CYS  10           HB2      CYS  10  -1.975   0.412   1.348
   72    H    PHE  11           H        PHE  11  -0.143   4.186   1.229
   73    HA   PHE  11           HA       PHE  11   0.908   3.926  -1.453
   74    HB2  PHE  11           HB1      PHE  11   1.680   5.646   0.904
   75    HB3  PHE  11           HB2      PHE  11   2.577   5.647  -0.610
   76    HD1  PHE  11           HD2      PHE  11   1.061   5.993  -2.758
   77    HD2  PHE  11           HD1      PHE  11   0.042   7.223   1.188
   78    HE1  PHE  11           HE2      PHE  11  -0.499   7.656  -3.683
   79    HE2  PHE  11           HE1      PHE  11  -1.521   8.887   0.269
   80    HZ   PHE  11           HZ       PHE  11  -1.794   9.105  -2.169
   81    HA   PRO  12           HA       PRO  12   4.129   1.055  -0.651
   82    HB2  PRO  12           HB1      PRO  12   6.084   1.971  -2.297
   83    HB3  PRO  12           HB2      PRO  12   4.626   1.166  -2.892
   84    HG2  PRO  12           HG1      PRO  12   5.247   4.091  -2.744
   85    HG3  PRO  12           HG2      PRO  12   4.482   3.174  -4.055
   86    HD2  PRO  12           HD1      PRO  12   3.060   4.656  -2.290
   87    HD3  PRO  12           HD2      PRO  12   2.423   3.168  -3.018
   88    H    ASP  13           H        ASP  13   5.842   0.757   0.694
   89    HA   ASP  13           HA       ASP  13   7.296   3.141   1.621
   90    HB2  ASP  13           HB1      ASP  13   7.316   1.866   3.903
   91    HB3  ASP  13           HB2      ASP  13   5.903   2.814   3.449
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1   9.037   2.070  -0.178
    2    HA2  GLY   1           HA1      GLY   1  10.093   0.376  -1.346
    3    HA3  GLY   1           HA2      GLY   1  10.490  -0.167   0.279
    4    H    ARG   2           H        ARG   2   8.461  -1.304   1.348
    5    HA   ARG   2           HA       ARG   2   7.986  -3.630  -0.251
    6    HB2  ARG   2           HB1      ARG   2   7.302  -2.770   2.527
    7    HB3  ARG   2           HB2      ARG   2   6.422  -4.120   1.822
    8    HG2  ARG   2           HG1      ARG   2   8.672  -5.159   1.328
    9    HG3  ARG   2           HG2      ARG   2   9.368  -3.905   2.357
   10    HD2  ARG   2           HD1      ARG   2   7.106  -5.589   3.353
   11    HD3  ARG   2           HD2      ARG   2   8.753  -6.219   3.373
   12    HE   ARG   2           HE       ARG   2   8.466  -3.616   4.575
   13   HH11  ARG   2          HH11      ARG   2   8.347  -7.057   5.088
   14   HH12  ARG   2          HH12      ARG   2   8.654  -6.945   6.790
   15   HH21  ARG   2          HH21      ARG   2   8.871  -3.456   6.814
   16   HH22  ARG   2          HH22      ARG   2   8.951  -4.896   7.770
   17    HA   PRO   3           HA       PRO   3   4.075  -2.755  -2.034
   18    HB2  PRO   3           HB1      PRO   3   2.791  -5.136  -1.811
   19    HB3  PRO   3           HB2      PRO   3   4.124  -4.866  -2.939
   20    HG2  PRO   3           HG1      PRO   3   4.158  -6.164  -0.241
   21    HG3  PRO   3           HG2      PRO   3   4.970  -6.667  -1.736
   22    HD2  PRO   3           HD1      PRO   3   6.260  -5.360   0.253
   23    HD3  PRO   3           HD2      PRO   3   6.692  -5.161  -1.458
   24    H    CYS   4           H        CYS   4   2.510  -1.539  -1.198
   25    HA   CYS   4           HA       CYS   4   1.299  -2.356   1.360
   26    HB2  CYS   4           HB1      CYS   4   2.595  -0.092   1.067
   27    HB3  CYS   4           HB2      CYS   4   1.103   0.438   0.298
   28    H    TYR   5           H        TYR   5  -0.417  -3.561   0.689
   29    HA   TYR   5           HA       TYR   5  -2.371  -2.210  -1.056
   30    HB2  TYR   5           HB1      TYR   5  -1.819  -5.172  -0.787
   31    HB3  TYR   5           HB2      TYR   5  -3.132  -4.478  -1.732
   32    HD1  TYR   5           HD1      TYR   5  -2.553  -2.997  -3.698
   33    HD2  TYR   5           HD2      TYR   5   0.351  -5.368  -1.685
   34    HE1  TYR   5           HE1      TYR   5  -1.057  -2.804  -5.641
   35    HE2  TYR   5           HE2      TYR   5   1.855  -5.180  -3.621
   36    HH   TYR   5           HH       TYR   5   1.447  -2.947  -6.055
   37    H    THR   6           H        THR   6  -3.917  -1.426   0.223
   38    HA   THR   6           HA       THR   6  -5.176  -3.254   2.146
   39    HB   THR   6           HB       THR   6  -5.518  -1.325   3.702
   40    HG1  THR   6           HG1      THR   6  -5.125   0.401   2.300
   41   HG21  THR   6          HG21      THR   6  -3.092  -1.261   4.474
   42   HG22  THR   6          HG22      THR   6  -2.731  -2.273   3.076
   43   HG23  THR   6          HG23      THR   6  -3.830  -2.854   4.327
   44    H    LEU   7           H        LEU   7  -7.249  -1.925   3.040
   45    HA   LEU   7           HA       LEU   7  -9.016  -1.785   0.840
   46    HB2  LEU   7           HB1      LEU   7  -9.189  -1.329   3.759
   47    HB3  LEU   7           HB2      LEU   7 -10.447  -0.600   2.764
   48    HG   LEU   7           HG       LEU   7 -10.699  -3.003   1.794
   49   HD11  LEU   7          HD11      LEU   7  -8.651  -3.816   2.993
   50   HD12  LEU   7          HD12      LEU   7 -10.102  -4.785   3.246
   51   HD13  LEU   7          HD13      LEU   7  -9.558  -3.669   4.498
   52   HD21  LEU   7          HD21      LEU   7 -12.025  -3.508   4.076
   53   HD22  LEU   7          HD22      LEU   7 -12.593  -2.373   2.851
   54   HD23  LEU   7          HD23      LEU   7 -11.733  -1.779   4.271
   55    H    GLN   8           H        GLN   8  -7.310   0.656   2.701
   56    HA   GLN   8           HA       GLN   8  -8.630   2.804   1.234
   57    HB2  GLN   8           HB1      GLN   8  -6.839   2.681   3.631
   58    HB3  GLN   8           HB2      GLN   8  -6.991   4.190   2.740
   59    HG2  GLN   8           HG1      GLN   8  -9.362   2.678   3.794
   60    HG3  GLN   8           HG2      GLN   8  -8.506   3.899   4.734
   61   HE21  GLN   8          HE21      GLN   8  -8.267   6.038   3.642
   62   HE22  GLN   8          HE22      GLN   8  -9.615   6.619   2.732
   63    H    SER   9           H        SER   9  -6.558   0.799   0.176
   64    HA   SER   9           HA       SER   9  -4.716   0.776  -1.175
   65    HB2  SER   9           HB1      SER   9  -4.751   2.396  -2.960
   66    HB3  SER   9           HB2      SER   9  -6.422   2.006  -2.550
   67    HG   SER   9           HG       SER   9  -6.711   4.023  -2.084
   68    H    CYS  10           H        CYS  10  -3.654   1.146   1.097
   69    HA   CYS  10           HA       CYS  10  -2.463   3.607   1.722
   70    HB2  CYS  10           HB1      CYS  10  -0.957   2.309   3.161
   71    HB3  CYS  10           HB2      CYS  10  -2.622   1.767   3.332
   72    H    PHE  11           H        PHE  11  -0.576   4.568   1.150
   73    HA   PHE  11           HA       PHE  11   0.573   3.950  -1.344
   74    HB2  PHE  11           HB1      PHE  11   1.157   5.874   0.850
   75    HB3  PHE  11           HB2      PHE  11   2.440   5.564  -0.315
   76    HD1  PHE  11           HD1      PHE  11  -1.262   5.994  -0.559
   77    HD2  PHE  11           HD2      PHE  11   2.593   7.235  -1.868
   78    HE1  PHE  11           HE1      PHE  11  -2.307   7.579  -2.123
   79    HE2  PHE  11           HE2      PHE  11   1.553   8.823  -3.435
   80    HZ   PHE  11           HZ       PHE  11  -0.899   8.996  -3.565
   81    HA   PRO  12           HA       PRO  12   3.691   0.993  -0.457
   82    HB2  PRO  12           HB1      PRO  12   5.656   1.749  -2.171
   83    HB3  PRO  12           HB2      PRO  12   4.157   0.979  -2.706
   84    HG2  PRO  12           HG1      PRO  12   4.903   3.879  -2.703
   85    HG3  PRO  12           HG2      PRO  12   4.079   2.936  -3.959
   86    HD2  PRO  12           HD1      PRO  12   2.748   4.557  -2.246
   87    HD3  PRO  12           HD2      PRO  12   2.039   3.065  -2.896
   88    H    ASP  13           H        ASP  13   5.928   0.714   0.287
   89    HA   ASP  13           HA       ASP  13   7.318   3.062   1.262
   90    HB2  ASP  13           HB1      ASP  13   6.004   1.070   3.099
   91    HB3  ASP  13           HB2      ASP  13   7.400   2.013   3.610
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1   9.307   1.949   0.292
    2    HA2  GLY   1           HA1      GLY   1  10.350   0.165  -0.835
    3    HA3  GLY   1           HA2      GLY   1  10.371  -0.385   0.833
    4    H    ARG   2           H        ARG   2   8.098  -1.372   1.469
    5    HA   ARG   2           HA       ARG   2   7.679  -3.541  -0.426
    6    HB2  ARG   2           HB1      ARG   2   7.063  -3.103   2.467
    7    HB3  ARG   2           HB2      ARG   2   6.142  -4.306   1.574
    8    HG2  ARG   2           HG1      ARG   2   8.477  -5.184   0.857
    9    HG3  ARG   2           HG2      ARG   2   9.047  -4.269   2.255
   10    HD2  ARG   2           HD1      ARG   2   8.651  -6.436   3.067
   11    HD3  ARG   2           HD2      ARG   2   7.256  -5.492   3.585
   12    HE   ARG   2           HE       ARG   2   5.923  -6.787   2.246
   13   HH11  ARG   2          HH11      ARG   2   9.256  -7.278   1.368
   14   HH12  ARG   2          HH12      ARG   2   8.915  -8.597   0.298
   15   HH21  ARG   2          HH21      ARG   2   5.462  -8.522   0.839
   16   HH22  ARG   2          HH22      ARG   2   6.757  -9.303  -0.003
   17    HA   PRO   3           HA       PRO   3   3.776  -2.244  -1.955
   18    HB2  PRO   3           HB1      PRO   3   2.401  -4.580  -2.082
   19    HB3  PRO   3           HB2      PRO   3   3.724  -4.184  -3.185
   20    HG2  PRO   3           HG1      PRO   3   3.753  -5.896  -0.730
   21    HG3  PRO   3           HG2      PRO   3   4.516  -6.185  -2.304
   22    HD2  PRO   3           HD1      PRO   3   5.895  -5.261  -0.164
   23    HD3  PRO   3           HD2      PRO   3   6.303  -4.807  -1.831
   24    H    CYS   4           H        CYS   4   1.738  -1.617  -1.321
   25    HA   CYS   4           HA       CYS   4   0.903  -2.434   1.385
   26    HB2  CYS   4           HB1      CYS   4   1.653  -0.136   1.438
   27    HB3  CYS   4           HB2      CYS   4   0.652   0.267   0.047
   28    H    TYR   5           H        TYR   5  -0.552  -4.002   0.789
   29    HA   TYR   5           HA       TYR   5  -2.710  -3.238  -1.044
   30    HB2  TYR   5           HB1      TYR   5  -1.676  -5.892  -0.077
   31    HB3  TYR   5           HB2      TYR   5  -3.262  -5.751  -0.828
   32    HD1  TYR   5           HD2      TYR   5   0.220  -4.551  -1.508
   33    HD2  TYR   5           HD1      TYR   5  -3.343  -6.278  -3.065
   34    HE1  TYR   5           HE2      TYR   5   1.266  -4.694  -3.729
   35    HE2  TYR   5           HE1      TYR   5  -2.306  -6.427  -5.289
   36    HH   TYR   5           HH       TYR   5   0.288  -6.573  -6.104
   37    H    THR   6           H        THR   6  -4.337  -2.271  -0.016
   38    HA   THR   6           HA       THR   6  -5.750  -3.693   2.053
   39    HB   THR   6           HB       THR   6  -5.753  -1.462   3.459
   40    HG1  THR   6           HG1      THR   6  -4.161  -0.638   1.734
   41   HG21  THR   6          HG21      THR   6  -4.220  -2.442   4.955
   42   HG22  THR   6          HG22      THR   6  -3.316  -3.215   3.652
   43   HG23  THR   6          HG23      THR   6  -4.923  -3.800   4.077
   44    H    LEU   7           H        LEU   7  -7.686  -2.304   2.812
   45    HA   LEU   7           HA       LEU   7  -9.259  -1.680   0.595
   46    HB2  LEU   7           HB1      LEU   7 -10.203  -2.305   2.740
   47    HB3  LEU   7           HB2      LEU   7  -9.578  -0.828   3.469
   48    HG   LEU   7           HG       LEU   7 -11.452  -0.554   1.179
   49   HD11  LEU   7          HD11      LEU   7 -13.388  -0.777   2.642
   50   HD12  LEU   7          HD12      LEU   7 -12.341  -1.287   3.966
   51   HD13  LEU   7          HD13      LEU   7 -12.501  -2.298   2.530
   52   HD21  LEU   7          HD21      LEU   7 -10.283   1.097   3.160
   53   HD22  LEU   7          HD22      LEU   7 -12.022   1.065   3.449
   54   HD23  LEU   7          HD23      LEU   7 -11.400   1.551   1.872
   55    H    GLN   8           H        GLN   8  -7.278   0.369   2.653
   56    HA   GLN   8           HA       GLN   8  -8.187   2.791   1.347
   57    HB2  GLN   8           HB1      GLN   8  -6.293   2.175   3.585
   58    HB3  GLN   8           HB2      GLN   8  -6.239   3.751   2.806
   59    HG2  GLN   8           HG1      GLN   8  -8.576   4.124   3.363
   60    HG3  GLN   8           HG2      GLN   8  -8.661   2.530   4.111
   61   HE21  GLN   8          HE21      GLN   8  -7.066   2.157   5.887
   62   HE22  GLN   8          HE22      GLN   8  -6.771   3.466   6.974
   63    H    SER   9           H        SER   9  -5.603   0.510   1.081
   64    HA   SER   9           HA       SER   9  -3.815   0.336  -0.315
   65    HB2  SER   9           HB1      SER   9  -5.805   0.861  -1.927
   66    HB3  SER   9           HB2      SER   9  -5.015   2.428  -2.102
   67    HG   SER   9           HG       SER   9  -3.710   1.486  -3.436
   68    H    CYS  10           H        CYS  10  -2.899   1.628   1.633
   69    HA   CYS  10           HA       CYS  10  -2.245   4.348   1.356
   70    HB2  CYS  10           HB1      CYS  10  -0.828   4.061   3.215
   71    HB3  CYS  10           HB2      CYS  10  -2.109   2.876   3.449
   72    H    PHE  11           H        PHE  11  -0.257   5.349   0.808
   73    HA   PHE  11           HA       PHE  11   0.871   4.593  -1.592
   74    HB2  PHE  11           HB1      PHE  11   1.667   6.462   0.583
   75    HB3  PHE  11           HB2      PHE  11   2.882   6.063  -0.628
   76    HD1  PHE  11           HD1      PHE  11  -0.529   7.430  -0.178
   77    HD2  PHE  11           HD2      PHE  11   2.848   7.061  -2.744
   78    HE1  PHE  11           HE1      PHE  11  -1.509   9.094  -1.701
   79    HE2  PHE  11           HE2      PHE  11   1.872   8.727  -4.271
   80    HZ   PHE  11           HZ       PHE  11  -0.309   9.745  -3.751
   81    HA   PRO  12           HA       PRO  12   3.788   1.412  -0.804
   82    HB2  PRO  12           HB1      PRO  12   5.751   2.025  -2.576
   83    HB3  PRO  12           HB2      PRO  12   4.184   1.371  -3.066
   84    HG2  PRO  12           HG1      PRO  12   5.141   4.208  -3.083
   85    HG3  PRO  12           HG2      PRO  12   4.213   3.333  -4.314
   86    HD2  PRO  12           HD1      PRO  12   3.058   5.042  -2.560
   87    HD3  PRO  12           HD2      PRO  12   2.220   3.608  -3.189
   88    H    ASP  13           H        ASP  13   5.634   0.947   0.353
   89    HA   ASP  13           HA       ASP  13   7.479   3.101   1.024
   90    HB2  ASP  13           HB1      ASP  13   5.745   1.657   3.017
   91    HB3  ASP  13           HB2      ASP  13   7.285   2.371   3.488
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1   9.270   1.933   0.155
    2    HA2  GLY   1           HA1      GLY   1  10.364   0.139  -0.843
    3    HA3  GLY   1           HA2      GLY   1  10.382  -0.405   0.828
    4    H    ARG   2           H        ARG   2   8.103  -1.375   1.466
    5    HA   ARG   2           HA       ARG   2   7.671  -3.549  -0.421
    6    HB2  ARG   2           HB1      ARG   2   7.033  -3.098   2.470
    7    HB3  ARG   2           HB2      ARG   2   6.147  -4.323   1.571
    8    HG2  ARG   2           HG1      ARG   2   9.105  -4.358   1.390
    9    HG3  ARG   2           HG2      ARG   2   8.363  -4.874   2.906
   10    HD2  ARG   2           HD1      ARG   2   6.867  -6.352   1.432
   11    HD3  ARG   2           HD2      ARG   2   8.051  -6.045   0.161
   12    HE   ARG   2           HE       ARG   2   9.191  -6.992   2.629
   13   HH11  ARG   2          HH11      ARG   2   7.784  -7.895  -0.425
   14   HH12  ARG   2          HH12      ARG   2   8.539  -9.455  -0.459
   15   HH21  ARG   2          HH21      ARG   2  10.190  -9.043   2.594
   16   HH22  ARG   2          HH22      ARG   2   9.906 -10.107   1.259
   17    HA   PRO   3           HA       PRO   3   3.777  -2.230  -1.950
   18    HB2  PRO   3           HB1      PRO   3   2.393  -4.562  -2.086
   19    HB3  PRO   3           HB2      PRO   3   3.719  -4.165  -3.186
   20    HG2  PRO   3           HG1      PRO   3   3.741  -5.886  -0.737
   21    HG3  PRO   3           HG2      PRO   3   4.504  -6.172  -2.311
   22    HD2  PRO   3           HD1      PRO   3   5.885  -5.259  -0.168
   23    HD3  PRO   3           HD2      PRO   3   6.295  -4.801  -1.833
   24    H    CYS   4           H        CYS   4   1.724  -1.619  -1.326
   25    HA   CYS   4           HA       CYS   4   0.898  -2.425   1.387
   26    HB2  CYS   4           HB1      CYS   4   1.637  -0.118   1.412
   27    HB3  CYS   4           HB2      CYS   4   0.612   0.264   0.033
   28    H    TYR   5           H        TYR   5  -0.547  -4.007   0.807
   29    HA   TYR   5           HA       TYR   5  -2.710  -3.275  -1.036
   30    HB2  TYR   5           HB1      TYR   5  -2.029  -5.993   0.101
   31    HB3  TYR   5           HB2      TYR   5  -3.205  -5.653  -1.162
   32    HD1  TYR   5           HD1      TYR   5  -1.700  -3.747  -2.849
   33    HD2  TYR   5           HD2      TYR   5  -0.433  -7.335  -0.945
   34    HE1  TYR   5           HE1      TYR   5   0.048  -4.029  -4.556
   35    HE2  TYR   5           HE2      TYR   5   1.319  -7.627  -2.646
   36    HH   TYR   5           HH       TYR   5   1.524  -5.523  -5.451
   37    H    THR   6           H        THR   6  -4.342  -2.303  -0.020
   38    HA   THR   6           HA       THR   6  -5.750  -3.709   2.066
   39    HB   THR   6           HB       THR   6  -5.766  -1.462   3.447
   40    HG1  THR   6           HG1      THR   6  -3.716  -0.442   3.349
   41   HG21  THR   6          HG21      THR   6  -4.217  -2.411   4.949
   42   HG22  THR   6          HG22      THR   6  -3.319  -3.200   3.653
   43   HG23  THR   6          HG23      THR   6  -4.922  -3.783   4.096
   44    H    LEU   7           H        LEU   7  -7.667  -2.256   2.835
   45    HA   LEU   7           HA       LEU   7  -9.252  -1.686   0.599
   46    HB2  LEU   7           HB1      LEU   7 -10.075  -2.282   2.870
   47    HB3  LEU   7           HB2      LEU   7  -9.642  -0.660   3.406
   48    HG   LEU   7           HG       LEU   7 -11.254   0.144   1.560
   49   HD11  LEU   7          HD11      LEU   7 -11.870  -2.777   1.707
   50   HD12  LEU   7          HD12      LEU   7 -11.748  -1.726   0.296
   51   HD13  LEU   7          HD13      LEU   7 -13.149  -1.614   1.361
   52   HD21  LEU   7          HD21      LEU   7 -12.036  -1.148   4.151
   53   HD22  LEU   7          HD22      LEU   7 -13.229  -0.347   3.127
   54   HD23  LEU   7          HD23      LEU   7 -11.864   0.566   3.770
   55    H    GLN   8           H        GLN   8  -7.282   0.390   2.641
   56    HA   GLN   8           HA       GLN   8  -8.194   2.795   1.304
   57    HB2  GLN   8           HB1      GLN   8  -6.277   2.225   3.542
   58    HB3  GLN   8           HB2      GLN   8  -6.295   3.802   2.764
   59    HG2  GLN   8           HG1      GLN   8  -8.905   2.744   3.641
   60    HG3  GLN   8           HG2      GLN   8  -7.768   3.193   4.911
   61   HE21  GLN   8          HE21      GLN   8  -6.746   5.378   4.612
   62   HE22  GLN   8          HE22      GLN   8  -7.776   6.654   4.067
   63    H    SER   9           H        SER   9  -5.600   0.522   1.081
   64    HA   SER   9           HA       SER   9  -3.809   0.334  -0.309
   65    HB2  SER   9           HB1      SER   9  -5.321   2.343  -1.995
   66    HB3  SER   9           HB2      SER   9  -4.018   1.292  -2.550
   67    HG   SER   9           HG       SER   9  -6.349   0.633  -2.865
   68    H    CYS  10           H        CYS  10  -2.918   1.639   1.650
   69    HA   CYS  10           HA       CYS  10  -2.251   4.351   1.380
   70    HB2  CYS  10           HB1      CYS  10  -0.829   4.052   3.235
   71    HB3  CYS  10           HB2      CYS  10  -2.111   2.869   3.465
   72    H    PHE  11           H        PHE  11  -0.265   5.356   0.836
   73    HA   PHE  11           HA       PHE  11   0.862   4.613  -1.571
   74    HB2  PHE  11           HB1      PHE  11   1.655   6.473   0.613
   75    HB3  PHE  11           HB2      PHE  11   2.873   6.079  -0.595
   76    HD1  PHE  11           HD1      PHE  11  -0.568   7.395  -0.186
   77    HD2  PHE  11           HD2      PHE  11   2.875   7.133  -2.675
   78    HE1  PHE  11           HE1      PHE  11  -1.544   9.064  -1.707
   79    HE2  PHE  11           HE2      PHE  11   1.905   8.803  -4.199
   80    HZ   PHE  11           HZ       PHE  11  -0.308   9.770  -3.716
   81    HA   PRO  12           HA       PRO  12   3.781   1.430  -0.802
   82    HB2  PRO  12           HB1      PRO  12   5.740   2.052  -2.574
   83    HB3  PRO  12           HB2      PRO  12   4.173   1.400  -3.065
   84    HG2  PRO  12           HG1      PRO  12   5.128   4.236  -3.070
   85    HG3  PRO  12           HG2      PRO  12   4.198   3.367  -4.304
   86    HD2  PRO  12           HD1      PRO  12   3.045   5.067  -2.540
   87    HD3  PRO  12           HD2      PRO  12   2.208   3.636  -3.174
   88    H    ASP  13           H        ASP  13   5.667   0.953   0.306
   89    HA   ASP  13           HA       ASP  13   7.510   3.099   0.988
   90    HB2  ASP  13           HB1      ASP  13   7.306   2.361   3.461
   91    HB3  ASP  13           HB2      ASP  13   6.080   3.444   2.806
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1   9.604   1.623   1.281
    2    HA2  GLY   1           HA1      GLY   1  10.216   0.754  -0.954
    3    HA3  GLY   1           HA2      GLY   1  10.215  -0.535   0.241
    4    H    ARG   2           H        ARG   2   8.272  -1.854   0.423
    5    HA   ARG   2           HA       ARG   2   7.126  -2.332  -2.213
    6    HB2  ARG   2           HB1      ARG   2   7.323  -3.915   0.323
    7    HB3  ARG   2           HB2      ARG   2   6.122  -4.353  -0.885
    8    HG2  ARG   2           HG1      ARG   2   8.968  -3.992  -1.700
    9    HG3  ARG   2           HG2      ARG   2   8.465  -5.479  -0.893
   10    HD2  ARG   2           HD1      ARG   2   6.800  -5.882  -2.605
   11    HD3  ARG   2           HD2      ARG   2   7.190  -4.348  -3.380
   12    HE   ARG   2           HE       ARG   2   9.042  -5.323  -4.326
   13   HH11  ARG   2          HH11      ARG   2   7.752  -7.412  -1.858
   14   HH12  ARG   2          HH12      ARG   2   8.763  -8.754  -2.282
   15   HH21  ARG   2          HH21      ARG   2  10.379  -7.082  -4.894
   16   HH22  ARG   2          HH22      ARG   2  10.257  -8.565  -4.009
   17    HA   PRO   3           HA       PRO   3   3.130  -0.715  -1.398
   18    HB2  PRO   3           HB1      PRO   3   1.521  -2.521  -2.629
   19    HB3  PRO   3           HB2      PRO   3   2.540  -1.382  -3.517
   20    HG2  PRO   3           HG1      PRO   3   3.031  -4.267  -2.886
   21    HG3  PRO   3           HG2      PRO   3   3.312  -3.389  -4.401
   22    HD2  PRO   3           HD1      PRO   3   5.302  -3.956  -2.654
   23    HD3  PRO   3           HD2      PRO   3   5.300  -2.491  -3.658
   24    H    CYS   4           H        CYS   4   1.074  -1.098  -0.327
   25    HA   CYS   4           HA       CYS   4   1.229  -3.298   1.628
   26    HB2  CYS   4           HB1      CYS   4   0.169  -1.895   3.245
   27    HB3  CYS   4           HB2      CYS   4   1.476  -0.956   2.533
   28    H    TYR   5           H        TYR   5  -0.589  -4.503   2.054
   29    HA   TYR   5           HA       TYR   5  -2.663  -4.388   0.017
   30    HB2  TYR   5           HB1      TYR   5  -2.272  -6.412   2.231
   31    HB3  TYR   5           HB2      TYR   5  -3.337  -6.572   0.839
   32    HD1  TYR   5           HD1      TYR   5  -2.313  -6.741  -1.460
   33    HD2  TYR   5           HD2      TYR   5   0.000  -7.032   2.099
   34    HE1  TYR   5           HE1      TYR   5  -0.497  -7.801  -2.736
   35    HE2  TYR   5           HE2      TYR   5   1.824  -8.091   0.834
   36    HH   TYR   5           HH       TYR   5   2.439  -8.964  -1.127
   37    H    THR   6           H        THR   6  -4.260  -2.994   0.403
   38    HA   THR   6           HA       THR   6  -5.934  -3.344   2.706
   39    HB   THR   6           HB       THR   6  -5.738  -0.709   3.089
   40    HG1  THR   6           HG1      THR   6  -4.054  -0.168   1.822
   41   HG21  THR   6          HG21      THR   6  -5.117  -1.364   5.134
   42   HG22  THR   6          HG22      THR   6  -3.577  -1.986   4.542
   43   HG23  THR   6          HG23      THR   6  -5.019  -2.999   4.485
   44    H    LEU   7           H        LEU   7  -7.798  -1.752   2.657
   45    HA   LEU   7           HA       LEU   7  -8.885  -1.714   0.020
   46    HB2  LEU   7           HB1      LEU   7 -10.338  -2.121   1.878
   47    HB3  LEU   7           HB2      LEU   7  -9.871  -0.602   2.639
   48    HG   LEU   7           HG       LEU   7 -10.931   0.538   0.611
   49   HD11  LEU   7          HD11      LEU   7 -12.888  -1.099  -0.155
   50   HD12  LEU   7          HD12      LEU   7 -11.624  -2.297   0.124
   51   HD13  LEU   7          HD13      LEU   7 -11.353  -0.980  -1.017
   52   HD21  LEU   7          HD21      LEU   7 -12.968  -0.960   2.194
   53   HD22  LEU   7          HD22      LEU   7 -12.926   0.743   1.741
   54   HD23  LEU   7          HD23      LEU   7 -11.866   0.143   3.018
   55    H    GLN   8           H        GLN   8  -7.493   0.693   2.168
   56    HA   GLN   8           HA       GLN   8  -8.200   2.913   0.482
   57    HB2  GLN   8           HB1      GLN   8  -6.471   2.605   2.923
   58    HB3  GLN   8           HB2      GLN   8  -6.522   4.116   2.025
   59    HG2  GLN   8           HG1      GLN   8  -8.733   4.523   2.581
   60    HG3  GLN   8           HG2      GLN   8  -9.048   2.834   2.976
   61   HE21  GLN   8          HE21      GLN   8  -9.300   5.469   4.454
   62   HE22  GLN   8          HE22      GLN   8  -8.529   5.170   5.971
   63    H    SER   9           H        SER   9  -5.575   0.679   0.722
   64    HA   SER   9           HA       SER   9  -3.708   0.359  -0.537
   65    HB2  SER   9           HB1      SER   9  -5.452   0.954  -2.372
   66    HB3  SER   9           HB2      SER   9  -4.614   2.504  -2.441
   67    HG   SER   9           HG       SER   9  -2.840   1.535  -3.198
   68    H    CYS  10           H        CYS  10  -2.837   1.527   1.447
   69    HA   CYS  10           HA       CYS  10  -2.060   4.229   1.327
   70    HB2  CYS  10           HB1      CYS  10  -0.788   3.810   3.264
   71    HB3  CYS  10           HB2      CYS  10  -2.128   2.672   3.364
   72    H    PHE  11           H        PHE  11   0.002   5.158   0.955
   73    HA   PHE  11           HA       PHE  11   1.258   4.445  -1.394
   74    HB2  PHE  11           HB1      PHE  11   2.049   6.154   0.928
   75    HB3  PHE  11           HB2      PHE  11   3.251   5.799  -0.309
   76    HD1  PHE  11           HD1      PHE  11  -0.221   7.077   0.090
   77    HD2  PHE  11           HD2      PHE  11   3.367   7.119  -2.200
   78    HE1  PHE  11           HE1      PHE  11  -1.140   8.879  -1.310
   79    HE2  PHE  11           HE2      PHE  11   2.454   8.923  -3.603
   80    HZ   PHE  11           HZ       PHE  11   0.198   9.806  -3.158
   81    HA   PRO  12           HA       PRO  12   3.975   1.105  -0.549
   82    HB2  PRO  12           HB1      PRO  12   6.082   1.701  -2.155
   83    HB3  PRO  12           HB2      PRO  12   4.527   1.139  -2.779
   84    HG2  PRO  12           HG1      PRO  12   5.603   3.927  -2.606
   85    HG3  PRO  12           HG2      PRO  12   4.727   3.147  -3.935
   86    HD2  PRO  12           HD1      PRO  12   3.526   4.834  -2.191
   87    HD3  PRO  12           HD2      PRO  12   2.674   3.467  -2.937
   88    H    ASP  13           H        ASP  13   5.579   0.539   0.841
   89    HA   ASP  13           HA       ASP  13   7.285   2.702   1.890
   90    HB2  ASP  13           HB1      ASP  13   5.361   1.662   3.369
   91    HB3  ASP  13           HB2      ASP  13   6.535   0.370   3.606
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1   9.355   2.120   0.202
    2    HA2  GLY   1           HA1      GLY   1  10.356   0.461  -1.182
    3    HA3  GLY   1           HA2      GLY   1  10.613  -0.119   0.458
    4    H    ARG   2           H        ARG   2   8.441  -1.253   1.295
    5    HA   ARG   2           HA       ARG   2   8.082  -3.493  -0.508
    6    HB2  ARG   2           HB1      ARG   2   7.503  -2.956   2.369
    7    HB3  ARG   2           HB2      ARG   2   6.598  -4.226   1.558
    8    HG2  ARG   2           HG1      ARG   2   9.116  -4.850   0.803
    9    HG3  ARG   2           HG2      ARG   2   9.408  -4.147   2.395
   10    HD2  ARG   2           HD1      ARG   2   7.155  -5.836   2.624
   11    HD3  ARG   2           HD2      ARG   2   8.383  -6.727   1.725
   12    HE   ARG   2           HE       ARG   2   9.645  -6.847   3.633
   13   HH11  ARG   2          HH11      ARG   2   7.160  -4.444   4.052
   14   HH12  ARG   2          HH12      ARG   2   7.481  -4.218   5.739
   15   HH21  ARG   2          HH21      ARG   2  10.077  -6.558   5.854
   16   HH22  ARG   2          HH22      ARG   2   9.141  -5.420   6.763
   17    HA   PRO   3           HA       PRO   3   4.094  -2.509  -2.048
   18    HB2  PRO   3           HB1      PRO   3   2.860  -4.927  -2.046
   19    HB3  PRO   3           HB2      PRO   3   4.147  -4.505  -3.183
   20    HG2  PRO   3           HG1      PRO   3   4.304  -6.092  -0.649
   21    HG3  PRO   3           HG2      PRO   3   5.067  -6.410  -2.217
   22    HD2  PRO   3           HD1      PRO   3   6.408  -5.303  -0.141
   23    HD3  PRO   3           HD2      PRO   3   6.772  -4.908  -1.833
   24    H    CYS   4           H        CYS   4   2.402  -1.533  -1.139
   25    HA   CYS   4           HA       CYS   4   1.331  -2.630   1.378
   26    HB2  CYS   4           HB1      CYS   4   2.579  -0.255   1.200
   27    HB3  CYS   4           HB2      CYS   4   0.947   0.252   0.779
   28    H    TYR   5           H        TYR   5  -0.511  -3.633   0.865
   29    HA   TYR   5           HA       TYR   5  -2.413  -2.213  -0.882
   30    HB2  TYR   5           HB1      TYR   5  -2.181  -5.203  -0.499
   31    HB3  TYR   5           HB2      TYR   5  -3.280  -4.371  -1.594
   32    HD1  TYR   5           HD1      TYR   5  -1.859  -2.566  -3.137
   33    HD2  TYR   5           HD2      TYR   5  -0.430  -6.249  -1.556
   34    HE1  TYR   5           HE1      TYR   5  -0.165  -2.667  -4.918
   35    HE2  TYR   5           HE2      TYR   5   1.269  -6.359  -3.332
   36    HH   TYR   5           HH       TYR   5   1.666  -3.724  -5.660
   37    H    THR   6           H        THR   6  -4.175  -1.525   0.115
   38    HA   THR   6           HA       THR   6  -5.340  -3.122   2.271
   39    HB   THR   6           HB       THR   6  -5.693  -1.118   3.674
   40    HG1  THR   6           HG1      THR   6  -4.619   0.795   3.147
   41   HG21  THR   6          HG21      THR   6  -3.433  -0.950   4.539
   42   HG22  THR   6          HG22      THR   6  -2.780  -1.585   3.029
   43   HG23  THR   6          HG23      THR   6  -3.764  -2.616   4.066
   44    H    LEU   7           H        LEU   7  -7.433  -1.722   3.032
   45    HA   LEU   7           HA       LEU   7  -9.147  -1.759   0.745
   46    HB2  LEU   7           HB1      LEU   7  -9.442  -1.423   3.659
   47    HB3  LEU   7           HB2      LEU   7 -10.678  -0.648   2.671
   48    HG   LEU   7           HG       LEU   7 -11.310  -2.904   3.479
   49   HD11  LEU   7          HD11      LEU   7 -11.256  -2.051   0.667
   50   HD12  LEU   7          HD12      LEU   7 -12.613  -2.524   1.688
   51   HD13  LEU   7          HD13      LEU   7 -11.604  -3.759   0.935
   52   HD21  LEU   7          HD21      LEU   7  -9.100  -3.836   1.650
   53   HD22  LEU   7          HD22      LEU   7 -10.257  -4.865   2.494
   54   HD23  LEU   7          HD23      LEU   7  -9.082  -3.921   3.411
   55    H    GLN   8           H        GLN   8  -7.648   0.742   2.703
   56    HA   GLN   8           HA       GLN   8  -9.027   2.837   1.212
   57    HB2  GLN   8           HB1      GLN   8  -7.047   3.061   3.485
   58    HB3  GLN   8           HB2      GLN   8  -7.977   4.383   2.793
   59    HG2  GLN   8           HG1      GLN   8  -9.145   1.989   4.193
   60    HG3  GLN   8           HG2      GLN   8  -8.902   3.577   4.917
   61   HE21  GLN   8          HE21      GLN   8  -9.715   5.268   2.980
   62   HE22  GLN   8          HE22      GLN   8 -11.391   5.035   2.636
   63    H    SER   9           H        SER   9  -6.809   0.969   0.210
   64    HA   SER   9           HA       SER   9  -5.068   1.087  -1.250
   65    HB2  SER   9           HB1      SER   9  -6.584   2.713  -2.390
   66    HB3  SER   9           HB2      SER   9  -5.802   4.015  -1.495
   67    HG   SER   9           HG       SER   9  -4.759   2.373  -3.527
   68    H    CYS  10           H        CYS  10  -3.458   0.668   0.254
   69    HA   CYS  10           HA       CYS  10  -2.280   2.752   1.833
   70    HB2  CYS  10           HB1      CYS  10  -2.371   0.294   2.453
   71    HB3  CYS  10           HB2      CYS  10  -1.106   0.031   1.256
   72    H    PHE  11           H        PHE  11  -0.146   3.567   1.649
   73    HA   PHE  11           HA       PHE  11   0.711   3.857  -1.118
   74    HB2  PHE  11           HB1      PHE  11   1.346   5.307   1.438
   75    HB3  PHE  11           HB2      PHE  11   2.350   5.523   0.007
   76    HD1  PHE  11           HD2      PHE  11   1.137   6.214  -2.162
   77    HD2  PHE  11           HD1      PHE  11  -0.551   6.596   1.727
   78    HE1  PHE  11           HE2      PHE  11  -0.440   7.900  -3.015
   79    HE2  PHE  11           HE1      PHE  11  -2.131   8.280   0.879
   80    HZ   PHE  11           HZ       PHE  11  -2.077   8.935  -1.494
   81    HA   PRO  12           HA       PRO  12   4.191   1.193  -0.897
   82    HB2  PRO  12           HB1      PRO  12   5.984   2.515  -2.448
   83    HB3  PRO  12           HB2      PRO  12   4.568   1.689  -3.109
   84    HG2  PRO  12           HG1      PRO  12   4.962   4.599  -2.524
   85    HG3  PRO  12           HG2      PRO  12   4.209   3.833  -3.934
   86    HD2  PRO  12           HD1      PRO  12   2.762   4.899  -1.908
   87    HD3  PRO  12           HD2      PRO  12   2.210   3.491  -2.839
   88    H    ASP  13           H        ASP  13   6.024   0.844   0.282
   89    HA   ASP  13           HA       ASP  13   7.475   3.124   1.387
   90    HB2  ASP  13           HB1      ASP  13   7.393   2.007   3.673
   91    HB3  ASP  13           HB2      ASP  13   5.909   2.790   3.136
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1   9.662   1.873   1.148
    2    HA2  GLY   1           HA1      GLY   1  10.473   0.500  -0.582
    3    HA3  GLY   1           HA2      GLY   1  10.302  -0.641   0.743
    4    H    ARG   2           H        ARG   2   8.358  -1.917   0.859
    5    HA   ARG   2           HA       ARG   2   7.376  -2.581  -1.802
    6    HB2  ARG   2           HB1      ARG   2   7.384  -3.972   0.852
    7    HB3  ARG   2           HB2      ARG   2   6.256  -4.484  -0.397
    8    HG2  ARG   2           HG1      ARG   2   9.160  -4.223  -1.038
    9    HG3  ARG   2           HG2      ARG   2   8.567  -5.643  -0.174
   10    HD2  ARG   2           HD1      ARG   2   7.432  -4.665  -2.789
   11    HD3  ARG   2           HD2      ARG   2   8.686  -5.899  -2.661
   12    HE   ARG   2           HE       ARG   2   5.897  -6.259  -2.255
   13   HH11  ARG   2          HH11      ARG   2   9.023  -7.323  -1.150
   14   HH12  ARG   2          HH12      ARG   2   8.457  -8.877  -0.637
   15   HH21  ARG   2          HH21      ARG   2   5.140  -8.303  -1.583
   16   HH22  ARG   2          HH22      ARG   2   6.248  -9.435  -0.884
   17    HA   PRO   3           HA       PRO   3   3.368  -0.852  -1.366
   18    HB2  PRO   3           HB1      PRO   3   1.809  -2.720  -2.571
   19    HB3  PRO   3           HB2      PRO   3   2.903  -1.659  -3.466
   20    HG2  PRO   3           HG1      PRO   3   3.300  -4.498  -2.607
   21    HG3  PRO   3           HG2      PRO   3   3.694  -3.733  -4.156
   22    HD2  PRO   3           HD1      PRO   3   5.557  -4.202  -2.249
   23    HD3  PRO   3           HD2      PRO   3   5.647  -2.812  -3.349
   24    H    CYS   4           H        CYS   4   1.359  -1.006  -0.269
   25    HA   CYS   4           HA       CYS   4   1.207  -3.219   1.674
   26    HB2  CYS   4           HB1      CYS   4   0.041  -1.495   3.156
   27    HB3  CYS   4           HB2      CYS   4   1.777  -1.308   2.939
   28    H    TYR   5           H        TYR   5  -0.256  -4.473   0.567
   29    HA   TYR   5           HA       TYR   5  -2.530  -3.559  -0.783
   30    HB2  TYR   5           HB1      TYR   5  -2.287  -6.233   0.598
   31    HB3  TYR   5           HB2      TYR   5  -3.264  -5.838  -0.812
   32    HD1  TYR   5           HD1      TYR   5  -1.976  -5.074  -2.929
   33    HD2  TYR   5           HD2      TYR   5  -0.165  -7.143   0.317
   34    HE1  TYR   5           HE1      TYR   5  -0.133  -5.763  -4.404
   35    HE2  TYR   5           HE2      TYR   5   1.684  -7.836  -1.148
   36    HH   TYR   5           HH       TYR   5   1.671  -7.083  -4.604
   37    H    THR   6           H        THR   6  -4.162  -2.450   0.046
   38    HA   THR   6           HA       THR   6  -5.652  -3.452   2.281
   39    HB   THR   6           HB       THR   6  -5.437  -1.016   3.357
   40    HG1  THR   6           HG1      THR   6  -3.851  -0.103   2.188
   41   HG21  THR   6          HG21      THR   6  -4.505  -2.097   5.109
   42   HG22  THR   6          HG22      THR   6  -3.180  -2.741   4.139
   43   HG23  THR   6          HG23      THR   6  -4.757  -3.529   4.112
   44    H    LEU   7           H        LEU   7  -7.663  -2.346   2.588
   45    HA   LEU   7           HA       LEU   7  -8.934  -1.550   0.254
   46    HB2  LEU   7           HB1      LEU   7 -10.792  -0.934   1.608
   47    HB3  LEU   7           HB2      LEU   7 -10.039  -2.356   2.327
   48    HG   LEU   7           HG       LEU   7  -8.824  -0.492   3.786
   49   HD11  LEU   7          HD11      LEU   7 -11.021   0.898   2.466
   50   HD12  LEU   7          HD12      LEU   7  -9.632   1.541   3.341
   51   HD13  LEU   7          HD13      LEU   7 -11.066   1.020   4.225
   52   HD21  LEU   7          HD21      LEU   7 -10.135  -1.206   5.510
   53   HD22  LEU   7          HD22      LEU   7 -10.543  -2.432   4.310
   54   HD23  LEU   7          HD23      LEU   7 -11.628  -1.068   4.581
   55    H    GLN   8           H        GLN   8  -7.276   0.368   2.682
   56    HA   GLN   8           HA       GLN   8  -8.166   2.902   1.774
   57    HB2  GLN   8           HB1      GLN   8  -5.654   2.188   3.297
   58    HB3  GLN   8           HB2      GLN   8  -6.319   3.805   3.121
   59    HG2  GLN   8           HG1      GLN   8  -8.284   3.182   4.369
   60    HG3  GLN   8           HG2      GLN   8  -7.731   1.511   4.461
   61   HE21  GLN   8          HE21      GLN   8  -7.240   4.762   5.599
   62   HE22  GLN   8          HE22      GLN   8  -6.252   4.352   6.956
   63    H    SER   9           H        SER   9  -5.741   0.701   0.682
   64    HA   SER   9           HA       SER   9  -4.346   0.725  -1.117
   65    HB2  SER   9           HB1      SER   9  -6.490   1.858  -2.111
   66    HB3  SER   9           HB2      SER   9  -5.508   3.323  -2.064
   67    HG   SER   9           HG       SER   9  -4.564   0.936  -3.243
   68    H    CYS  10           H        CYS  10  -3.339   1.720   1.225
   69    HA   CYS  10           HA       CYS  10  -2.192   4.275   1.096
   70    HB2  CYS  10           HB1      CYS  10  -0.552   3.352   2.774
   71    HB3  CYS  10           HB2      CYS  10  -2.248   3.144   3.200
   72    H    PHE  11           H        PHE  11  -0.040   4.927   0.636
   73    HA   PHE  11           HA       PHE  11   1.004   3.830  -1.761
   74    HB2  PHE  11           HB1      PHE  11   1.972   5.941   0.152
   75    HB3  PHE  11           HB2      PHE  11   2.950   5.438  -1.223
   76    HD1  PHE  11           HD1      PHE  11  -0.571   6.456  -0.514
   77    HD2  PHE  11           HD2      PHE  11   2.779   6.693  -3.128
   78    HE1  PHE  11           HE1      PHE  11  -1.813   8.014  -1.959
   79    HE2  PHE  11           HE2      PHE  11   1.543   8.250  -4.577
   80    HZ   PHE  11           HZ       PHE  11  -0.756   8.912  -3.994
   81    HA   PRO  12           HA       PRO  12   3.862   0.806  -0.369
   82    HB2  PRO  12           HB1      PRO  12   5.894   1.117  -2.144
   83    HB3  PRO  12           HB2      PRO  12   4.338   0.401  -2.580
   84    HG2  PRO  12           HG1      PRO  12   5.327   3.192  -3.016
   85    HG3  PRO  12           HG2      PRO  12   4.434   2.136  -4.125
   86    HD2  PRO  12           HD1      PRO  12   3.237   4.111  -2.712
   87    HD3  PRO  12           HD2      PRO  12   2.406   2.600  -3.133
   88    H    ASP  13           H        ASP  13   5.649   0.527   0.926
   89    HA   ASP  13           HA       ASP  13   7.372   2.856   1.403
   90    HB2  ASP  13           HB1      ASP  13   7.286   2.239   3.875
   91    HB3  ASP  13           HB2      ASP  13   5.848   3.009   3.208
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1   9.707   1.755   1.337
    2    HA2  GLY   1           HA1      GLY   1  10.471   0.504  -0.584
    3    HA3  GLY   1           HA2      GLY   1  10.301  -0.637   0.742
    4    H    ARG   2           H        ARG   2   8.357  -1.914   0.860
    5    HA   ARG   2           HA       ARG   2   7.375  -2.581  -1.802
    6    HB2  ARG   2           HB1      ARG   2   7.383  -3.969   0.855
    7    HB3  ARG   2           HB2      ARG   2   6.258  -4.484  -0.396
    8    HG2  ARG   2           HG1      ARG   2   8.359  -4.607  -1.899
    9    HG3  ARG   2           HG2      ARG   2   9.242  -4.614  -0.372
   10    HD2  ARG   2           HD1      ARG   2   7.058  -6.550  -1.135
   11    HD3  ARG   2           HD2      ARG   2   8.787  -6.884  -1.215
   12    HE   ARG   2           HE       ARG   2   7.884  -6.047   1.384
   13   HH11  ARG   2          HH11      ARG   2   8.324  -8.749  -0.766
   14   HH12  ARG   2          HH12      ARG   2   8.408  -9.917   0.510
   15   HH21  ARG   2          HH21      ARG   2   7.994  -7.575   3.073
   16   HH22  ARG   2          HH22      ARG   2   8.219  -9.249   2.693
   17    HA   PRO   3           HA       PRO   3   3.366  -0.853  -1.367
   18    HB2  PRO   3           HB1      PRO   3   1.809  -2.722  -2.572
   19    HB3  PRO   3           HB2      PRO   3   2.902  -1.661  -3.467
   20    HG2  PRO   3           HG1      PRO   3   3.301  -4.500  -2.607
   21    HG3  PRO   3           HG2      PRO   3   3.696  -3.735  -4.157
   22    HD2  PRO   3           HD1      PRO   3   5.558  -4.203  -2.248
   23    HD3  PRO   3           HD2      PRO   3   5.648  -2.813  -3.349
   24    H    CYS   4           H        CYS   4   1.359  -1.007  -0.268
   25    HA   CYS   4           HA       CYS   4   1.206  -3.220   1.673
   26    HB2  CYS   4           HB1      CYS   4   0.041  -1.496   3.156
   27    HB3  CYS   4           HB2      CYS   4   1.777  -1.309   2.938
   28    H    TYR   5           H        TYR   5  -0.256  -4.474   0.565
   29    HA   TYR   5           HA       TYR   5  -2.531  -3.559  -0.784
   30    HB2  TYR   5           HB1      TYR   5  -2.257  -6.233   0.596
   31    HB3  TYR   5           HB2      TYR   5  -3.279  -5.844  -0.783
   32    HD1  TYR   5           HD1      TYR   5  -2.156  -5.230  -2.976
   33    HD2  TYR   5           HD2      TYR   5  -0.045  -6.966   0.285
   34    HE1  TYR   5           HE1      TYR   5  -0.353  -5.903  -4.509
   35    HE2  TYR   5           HE2      TYR   5   1.763  -7.643  -1.238
   36    HH   TYR   5           HH       TYR   5   1.487  -7.837  -4.447
   37    H    THR   6           H        THR   6  -4.163  -2.448   0.046
   38    HA   THR   6           HA       THR   6  -5.653  -3.452   2.282
   39    HB   THR   6           HB       THR   6  -5.436  -1.015   3.356
   40    HG1  THR   6           HG1      THR   6  -3.819  -0.373   1.823
   41   HG21  THR   6          HG21      THR   6  -4.717  -2.229   5.084
   42   HG22  THR   6          HG22      THR   6  -3.174  -2.539   4.289
   43   HG23  THR   6          HG23      THR   6  -4.552  -3.598   3.985
   44    H    LEU   7           H        LEU   7  -7.663  -2.346   2.589
   45    HA   LEU   7           HA       LEU   7  -8.934  -1.550   0.255
   46    HB2  LEU   7           HB1      LEU   7  -9.573  -1.275   3.156
   47    HB3  LEU   7           HB2      LEU   7 -10.590  -0.463   1.969
   48    HG   LEU   7           HG       LEU   7 -10.054  -3.430   1.990
   49   HD11  LEU   7          HD11      LEU   7 -11.271  -2.615   4.013
   50   HD12  LEU   7          HD12      LEU   7 -12.192  -3.728   3.002
   51   HD13  LEU   7          HD13      LEU   7 -12.528  -1.999   2.940
   52   HD21  LEU   7          HD21      LEU   7 -10.757  -3.066  -0.139
   53   HD22  LEU   7          HD22      LEU   7 -11.605  -1.576   0.275
   54   HD23  LEU   7          HD23      LEU   7 -12.334  -3.139   0.647
   55    H    GLN   8           H        GLN   8  -7.276   0.369   2.683
   56    HA   GLN   8           HA       GLN   8  -8.165   2.903   1.772
   57    HB2  GLN   8           HB1      GLN   8  -5.816   2.022   3.439
   58    HB3  GLN   8           HB2      GLN   8  -6.082   3.710   3.024
   59    HG2  GLN   8           HG1      GLN   8  -8.246   3.659   4.133
   60    HG3  GLN   8           HG2      GLN   8  -8.015   1.955   4.522
   61   HE21  GLN   8          HE21      GLN   8  -8.292   4.511   6.131
   62   HE22  GLN   8          HE22      GLN   8  -6.982   4.438   7.256
   63    H    SER   9           H        SER   9  -5.740   0.701   0.683
   64    HA   SER   9           HA       SER   9  -4.346   0.723  -1.116
   65    HB2  SER   9           HB1      SER   9  -6.505   1.906  -2.080
   66    HB3  SER   9           HB2      SER   9  -5.455   3.322  -2.097
   67    HG   SER   9           HG       SER   9  -4.544   2.536  -3.806
   68    H    CYS  10           H        CYS  10  -3.338   1.719   1.225
   69    HA   CYS  10           HA       CYS  10  -2.190   4.274   1.096
   70    HB2  CYS  10           HB1      CYS  10  -0.551   3.351   2.774
   71    HB3  CYS  10           HB2      CYS  10  -2.246   3.144   3.200
   72    H    PHE  11           H        PHE  11  -0.039   4.926   0.635
   73    HA   PHE  11           HA       PHE  11   1.005   3.828  -1.761
   74    HB2  PHE  11           HB1      PHE  11   1.946   5.952   0.147
   75    HB3  PHE  11           HB2      PHE  11   2.961   5.432  -1.194
   76    HD1  PHE  11           HD1      PHE  11  -0.184   7.081  -0.269
   77    HD2  PHE  11           HD2      PHE  11   2.447   6.036  -3.446
   78    HE1  PHE  11           HE1      PHE  11  -1.387   8.620  -1.766
   79    HE2  PHE  11           HE2      PHE  11   1.249   7.572  -4.949
   80    HZ   PHE  11           HZ       PHE  11  -0.669   8.868  -4.110
   81    HA   PRO  12           HA       PRO  12   3.863   0.804  -0.370
   82    HB2  PRO  12           HB1      PRO  12   5.895   1.115  -2.144
   83    HB3  PRO  12           HB2      PRO  12   4.339   0.399  -2.581
   84    HG2  PRO  12           HG1      PRO  12   5.329   3.190  -3.016
   85    HG3  PRO  12           HG2      PRO  12   4.435   2.134  -4.125
   86    HD2  PRO  12           HD1      PRO  12   3.238   4.109  -2.712
   87    HD3  PRO  12           HD2      PRO  12   2.407   2.598  -3.133
   88    H    ASP  13           H        ASP  13   5.645   0.526   0.931
   89    HA   ASP  13           HA       ASP  13   7.368   2.856   1.409
   90    HB2  ASP  13           HB1      ASP  13   5.581   2.743   3.151
   91    HB3  ASP  13           HB2      ASP  13   6.182   1.152   3.608
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1   9.696   1.585   1.538
    2    HA2  GLY   1           HA1      GLY   1  10.475   0.497  -0.585
    3    HA3  GLY   1           HA2      GLY   1  10.305  -0.640   0.745
    4    H    ARG   2           H        ARG   2   8.360  -1.915   0.866
    5    HA   ARG   2           HA       ARG   2   7.379  -2.590  -1.792
    6    HB2  ARG   2           HB1      ARG   2   7.370  -3.968   0.870
    7    HB3  ARG   2           HB2      ARG   2   6.265  -4.492  -0.393
    8    HG2  ARG   2           HG1      ARG   2   9.185  -4.224  -0.965
    9    HG3  ARG   2           HG2      ARG   2   8.559  -5.654  -0.143
   10    HD2  ARG   2           HD1      ARG   2   7.159  -6.201  -1.982
   11    HD3  ARG   2           HD2      ARG   2   7.448  -4.640  -2.748
   12    HE   ARG   2           HE       ARG   2   9.343  -5.508  -3.673
   13   HH11  ARG   2          HH11      ARG   2   8.437  -7.470  -0.943
   14   HH12  ARG   2          HH12      ARG   2   9.660  -8.662  -1.227
   15   HH21  ARG   2          HH21      ARG   2  10.958  -7.071  -4.058
   16   HH22  ARG   2          HH22      ARG   2  11.095  -8.434  -2.999
   17    HA   PRO   3           HA       PRO   3   3.373  -0.854  -1.364
   18    HB2  PRO   3           HB1      PRO   3   1.815  -2.720  -2.572
   19    HB3  PRO   3           HB2      PRO   3   2.911  -1.660  -3.464
   20    HG2  PRO   3           HG1      PRO   3   3.305  -4.500  -2.604
   21    HG3  PRO   3           HG2      PRO   3   3.703  -3.735  -4.154
   22    HD2  PRO   3           HD1      PRO   3   5.561  -4.206  -2.242
   23    HD3  PRO   3           HD2      PRO   3   5.654  -2.815  -3.342
   24    H    CYS   4           H        CYS   4   1.362  -1.006  -0.269
   25    HA   CYS   4           HA       CYS   4   1.204  -3.219   1.671
   26    HB2  CYS   4           HB1      CYS   4   0.039  -1.496   3.154
   27    HB3  CYS   4           HB2      CYS   4   1.776  -1.309   2.938
   28    H    TYR   5           H        TYR   5  -0.259  -4.472   0.563
   29    HA   TYR   5           HA       TYR   5  -2.531  -3.551  -0.788
   30    HB2  TYR   5           HB1      TYR   5  -2.079  -6.227   0.548
   31    HB3  TYR   5           HB2      TYR   5  -3.338  -5.879  -0.632
   32    HD1  TYR   5           HD2      TYR   5   0.274  -6.349  -0.137
   33    HD2  TYR   5           HD1      TYR   5  -2.827  -5.708  -2.979
   34    HE1  TYR   5           HE2      TYR   5   1.825  -6.935  -1.953
   35    HE2  TYR   5           HE1      TYR   5  -1.284  -6.294  -4.803
   36    HH   TYR   5           HH       TYR   5   1.322  -7.931  -4.553
   37    H    THR   6           H        THR   6  -4.163  -2.443   0.044
   38    HA   THR   6           HA       THR   6  -5.654  -3.455   2.275
   39    HB   THR   6           HB       THR   6  -5.440  -1.023   3.359
   40    HG1  THR   6           HG1      THR   6  -3.861  -0.120   2.156
   41   HG21  THR   6          HG21      THR   6  -3.271  -3.003   3.971
   42   HG22  THR   6          HG22      THR   6  -4.961  -3.388   4.295
   43   HG23  THR   6          HG23      THR   6  -4.207  -2.000   5.079
   44    H    LEU   7           H        LEU   7  -7.664  -2.348   2.588
   45    HA   LEU   7           HA       LEU   7  -8.936  -1.549   0.256
   46    HB2  LEU   7           HB1      LEU   7  -9.580  -1.232   3.158
   47    HB3  LEU   7           HB2      LEU   7 -10.612  -0.488   1.939
   48    HG   LEU   7           HG       LEU   7 -10.905  -2.779   0.941
   49   HD11  LEU   7          HD11      LEU   7  -9.269  -4.177   1.673
   50   HD12  LEU   7          HD12      LEU   7 -10.508  -4.550   2.872
   51   HD13  LEU   7          HD13      LEU   7  -9.198  -3.440   3.274
   52   HD21  LEU   7          HD21      LEU   7 -12.348  -3.545   2.970
   53   HD22  LEU   7          HD22      LEU   7 -12.755  -2.058   2.113
   54   HD23  LEU   7          HD23      LEU   7 -11.887  -1.983   3.647
   55    H    GLN   8           H        GLN   8  -7.278   0.367   2.685
   56    HA   GLN   8           HA       GLN   8  -8.166   2.902   1.778
   57    HB2  GLN   8           HB1      GLN   8  -5.768   2.059   3.402
   58    HB3  GLN   8           HB2      GLN   8  -6.146   3.741   3.053
   59    HG2  GLN   8           HG1      GLN   8  -7.855   1.798   4.587
   60    HG3  GLN   8           HG2      GLN   8  -6.940   3.152   5.247
   61   HE21  GLN   8          HE21      GLN   8  -7.703   5.232   4.987
   62   HE22  GLN   8          HE22      GLN   8  -9.309   5.575   4.450
   63    H    SER   9           H        SER   9  -5.743   0.701   0.684
   64    HA   SER   9           HA       SER   9  -4.349   0.725  -1.116
   65    HB2  SER   9           HB1      SER   9  -6.502   1.887  -2.090
   66    HB3  SER   9           HB2      SER   9  -5.482   3.324  -2.079
   67    HG   SER   9           HG       SER   9  -4.724   2.574  -3.882
   68    H    CYS  10           H        CYS  10  -3.340   1.718   1.227
   69    HA   CYS  10           HA       CYS  10  -2.192   4.273   1.099
   70    HB2  CYS  10           HB1      CYS  10  -0.551   3.348   2.774
   71    HB3  CYS  10           HB2      CYS  10  -2.246   3.141   3.202
   72    H    PHE  11           H        PHE  11  -0.041   4.926   0.636
   73    HA   PHE  11           HA       PHE  11   1.001   3.829  -1.761
   74    HB2  PHE  11           HB1      PHE  11   1.909   5.968   0.140
   75    HB3  PHE  11           HB2      PHE  11   2.968   5.431  -1.160
   76    HD1  PHE  11           HD2      PHE  11   2.312   5.762  -3.508
   77    HD2  PHE  11           HD1      PHE  11   0.004   7.324  -0.291
   78    HE1  PHE  11           HE2      PHE  11   1.160   7.274  -5.072
   79    HE2  PHE  11           HE1      PHE  11  -1.151   8.837  -1.849
   80    HZ   PHE  11           HZ       PHE  11  -0.575   8.813  -4.243
   81    HA   PRO  12           HA       PRO  12   3.862   0.808  -0.370
   82    HB2  PRO  12           HB1      PRO  12   5.893   1.118  -2.146
   83    HB3  PRO  12           HB2      PRO  12   4.337   0.401  -2.582
   84    HG2  PRO  12           HG1      PRO  12   5.324   3.193  -3.020
   85    HG3  PRO  12           HG2      PRO  12   4.430   2.136  -4.127
   86    HD2  PRO  12           HD1      PRO  12   3.233   4.111  -2.714
   87    HD3  PRO  12           HD2      PRO  12   2.402   2.599  -3.133
   88    H    ASP  13           H        ASP  13   5.652   0.529   0.921
   89    HA   ASP  13           HA       ASP  13   7.374   2.859   1.397
   90    HB2  ASP  13           HB1      ASP  13   5.826   1.288   3.446
   91    HB3  ASP  13           HB2      ASP  13   7.288   2.171   3.879
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1   9.287   2.011   0.289
    2    HA2  GLY   1           HA1      GLY   1   9.955   0.314  -1.352
    3    HA3  GLY   1           HA2      GLY   1  10.337  -0.250   0.268
    4    H    ARG   2           H        ARG   2   8.255  -1.276   1.352
    5    HA   ARG   2           HA       ARG   2   7.625  -3.555  -0.277
    6    HB2  ARG   2           HB1      ARG   2   6.419  -2.914   2.408
    7    HB3  ARG   2           HB2      ARG   2   6.651  -4.492   1.671
    8    HG2  ARG   2           HG1      ARG   2   9.161  -3.952   1.803
    9    HG3  ARG   2           HG2      ARG   2   8.675  -2.695   2.942
   10    HD2  ARG   2           HD1      ARG   2   8.050  -5.635   3.191
   11    HD3  ARG   2           HD2      ARG   2   9.306  -4.775   4.081
   12    HE   ARG   2           HE       ARG   2   6.899  -3.462   4.553
   13   HH11  ARG   2          HH11      ARG   2   8.342  -6.569   5.172
   14   HH12  ARG   2          HH12      ARG   2   7.439  -6.844   6.625
   15   HH21  ARG   2          HH21      ARG   2   5.705  -3.812   6.465
   16   HH22  ARG   2          HH22      ARG   2   5.940  -5.276   7.359
   17    HA   PRO   3           HA       PRO   3   3.736  -2.340  -1.910
   18    HB2  PRO   3           HB1      PRO   3   2.421  -4.715  -1.948
   19    HB3  PRO   3           HB2      PRO   3   3.737  -4.327  -3.063
   20    HG2  PRO   3           HG1      PRO   3   3.803  -5.940  -0.543
   21    HG3  PRO   3           HG2      PRO   3   4.578  -6.270  -2.104
   22    HD2  PRO   3           HD1      PRO   3   5.926  -5.229   0.001
   23    HD3  PRO   3           HD2      PRO   3   6.328  -4.830  -1.682
   24    H    CYS   4           H        CYS   4   1.688  -1.728  -1.300
   25    HA   CYS   4           HA       CYS   4   0.861  -2.471   1.430
   26    HB2  CYS   4           HB1      CYS   4   1.602  -0.135   1.317
   27    HB3  CYS   4           HB2      CYS   4   0.460   0.172   0.012
   28    H    TYR   5           H        TYR   5  -0.580  -4.069   0.924
   29    HA   TYR   5           HA       TYR   5  -2.724  -3.443  -0.978
   30    HB2  TYR   5           HB1      TYR   5  -2.062  -6.093   0.318
   31    HB3  TYR   5           HB2      TYR   5  -3.210  -5.822  -0.988
   32    HD1  TYR   5           HD1      TYR   5  -1.947  -4.320  -2.976
   33    HD2  TYR   5           HD2      TYR   5  -0.164  -7.184  -0.383
   34    HE1  TYR   5           HE1      TYR   5  -0.162  -4.695  -4.627
   35    HE2  TYR   5           HE2      TYR   5   1.626  -7.567  -2.027
   36    HH   TYR   5           HH       TYR   5   1.612  -7.120  -4.898
   37    H    THR   6           H        THR   6  -4.370  -2.419  -0.038
   38    HA   THR   6           HA       THR   6  -5.818  -3.712   2.087
   39    HB   THR   6           HB       THR   6  -5.819  -1.386   3.357
   40    HG1  THR   6           HG1      THR   6  -4.167  -0.692   1.655
   41   HG21  THR   6          HG21      THR   6  -4.381  -2.323   4.964
   42   HG22  THR   6          HG22      THR   6  -3.448  -3.193   3.744
   43   HG23  THR   6          HG23      THR   6  -5.087  -3.711   4.137
   44    H    LEU   7           H        LEU   7  -7.702  -2.143   2.789
   45    HA   LEU   7           HA       LEU   7  -9.235  -1.641   0.480
   46    HB2  LEU   7           HB1      LEU   7  -9.554  -1.198   3.393
   47    HB3  LEU   7           HB2      LEU   7 -10.605  -0.278   2.318
   48    HG   LEU   7           HG       LEU   7 -11.160  -2.596   1.289
   49   HD11  LEU   7          HD11      LEU   7  -9.283  -3.444   3.093
   50   HD12  LEU   7          HD12      LEU   7 -10.503  -4.460   2.327
   51   HD13  LEU   7          HD13      LEU   7 -10.798  -3.783   3.929
   52   HD21  LEU   7          HD21      LEU   7 -12.228  -2.240   4.055
   53   HD22  LEU   7          HD22      LEU   7 -13.075  -2.662   2.567
   54   HD23  LEU   7          HD23      LEU   7 -12.534  -1.004   2.834
   55    H    GLN   8           H        GLN   8  -7.308   0.444   2.553
   56    HA   GLN   8           HA       GLN   8  -8.164   2.839   1.158
   57    HB2  GLN   8           HB1      GLN   8  -6.127   2.408   3.347
   58    HB3  GLN   8           HB2      GLN   8  -6.547   3.979   2.679
   59    HG2  GLN   8           HG1      GLN   8  -8.738   3.872   3.542
   60    HG3  GLN   8           HG2      GLN   8  -8.582   2.158   3.923
   61   HE21  GLN   8          HE21      GLN   8  -9.236   4.524   5.592
   62   HE22  GLN   8          HE22      GLN   8  -8.113   4.473   6.903
   63    H    SER   9           H        SER   9  -5.577   0.549   1.055
   64    HA   SER   9           HA       SER   9  -3.744   0.331  -0.274
   65    HB2  SER   9           HB1      SER   9  -4.834   2.417  -2.135
   66    HB3  SER   9           HB2      SER   9  -3.980   0.922  -2.515
   67    HG   SER   9           HG       SER   9  -5.797  -0.208  -2.257
   68    H    CYS  10           H        CYS  10  -2.849   1.600   1.673
   69    HA   CYS  10           HA       CYS  10  -2.176   4.314   1.456
   70    HB2  CYS  10           HB1      CYS  10  -0.764   3.979   3.312
   71    HB3  CYS  10           HB2      CYS  10  -2.046   2.790   3.513
   72    H    PHE  11           H        PHE  11  -0.188   5.327   0.938
   73    HA   PHE  11           HA       PHE  11   0.946   4.631  -1.478
   74    HB2  PHE  11           HB1      PHE  11   1.776   6.425   0.757
   75    HB3  PHE  11           HB2      PHE  11   2.948   6.082  -0.512
   76    HD1  PHE  11           HD1      PHE  11  -0.713   6.817  -0.417
   77    HD2  PHE  11           HD2      PHE  11   3.101   7.765  -2.051
   78    HE1  PHE  11           HE1      PHE  11  -1.753   8.540  -1.833
   79    HE2  PHE  11           HE2      PHE  11   2.068   9.489  -3.470
   80    HZ   PHE  11           HZ       PHE  11  -0.362   9.878  -3.363
   81    HA   PRO  12           HA       PRO  12   3.858   1.427  -0.763
   82    HB2  PRO  12           HB1      PRO  12   5.825   2.084  -2.514
   83    HB3  PRO  12           HB2      PRO  12   4.259   1.444  -3.026
   84    HG2  PRO  12           HG1      PRO  12   5.219   4.278  -2.968
   85    HG3  PRO  12           HG2      PRO  12   4.293   3.436  -4.223
   86    HD2  PRO  12           HD1      PRO  12   3.135   5.101  -2.430
   87    HD3  PRO  12           HD2      PRO  12   2.298   3.685  -3.095
   88    H    ASP  13           H        ASP  13   5.620   0.946   0.475
   89    HA   ASP  13           HA       ASP  13   7.383   3.154   1.283
   90    HB2  ASP  13           HB1      ASP  13   5.763   1.345   3.029
   91    HB3  ASP  13           HB2      ASP  13   7.334   1.900   3.601
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1   9.496   2.006   0.875
    2    HA2  GLY   1           HA1      GLY   1  10.455   0.527  -0.608
    3    HA3  GLY   1           HA2      GLY   1  10.304  -0.609   0.723
    4    H    ARG   2           H        ARG   2   8.358  -1.891   0.865
    5    HA   ARG   2           HA       ARG   2   7.376  -2.591  -1.787
    6    HB2  ARG   2           HB1      ARG   2   7.351  -3.948   0.890
    7    HB3  ARG   2           HB2      ARG   2   6.281  -4.494  -0.394
    8    HG2  ARG   2           HG1      ARG   2   8.363  -4.679  -1.840
    9    HG3  ARG   2           HG2      ARG   2   9.279  -4.495  -0.342
   10    HD2  ARG   2           HD1      ARG   2   7.617  -6.410   0.450
   11    HD3  ARG   2           HD2      ARG   2   7.586  -6.747  -1.279
   12    HE   ARG   2           HE       ARG   2   9.663  -7.649  -1.064
   13   HH11  ARG   2          HH11      ARG   2   9.151  -5.434   1.572
   14   HH12  ARG   2          HH12      ARG   2  10.658  -5.800   2.344
   15   HH21  ARG   2          HH21      ARG   2  11.651  -8.139  -0.057
   16   HH22  ARG   2          HH22      ARG   2  12.079  -7.337   1.416
   17    HA   PRO   3           HA       PRO   3   3.367  -0.859  -1.366
   18    HB2  PRO   3           HB1      PRO   3   1.816  -2.732  -2.574
   19    HB3  PRO   3           HB2      PRO   3   2.910  -1.669  -3.467
   20    HG2  PRO   3           HG1      PRO   3   3.312  -4.508  -2.602
   21    HG3  PRO   3           HG2      PRO   3   3.709  -3.744  -4.152
   22    HD2  PRO   3           HD1      PRO   3   5.566  -4.206  -2.236
   23    HD3  PRO   3           HD2      PRO   3   5.657  -2.817  -3.339
   24    H    CYS   4           H        CYS   4   1.361  -1.011  -0.268
   25    HA   CYS   4           HA       CYS   4   1.202  -3.226   1.670
   26    HB2  CYS   4           HB1      CYS   4   0.037  -1.503   3.155
   27    HB3  CYS   4           HB2      CYS   4   1.775  -1.319   2.940
   28    H    TYR   5           H        TYR   5  -0.261  -4.477   0.561
   29    HA   TYR   5           HA       TYR   5  -2.533  -3.554  -0.789
   30    HB2  TYR   5           HB1      TYR   5  -2.291  -6.233   0.583
   31    HB3  TYR   5           HB2      TYR   5  -3.272  -5.832  -0.822
   32    HD1  TYR   5           HD1      TYR   5  -2.093  -5.237  -2.985
   33    HD2  TYR   5           HD2      TYR   5  -0.070  -6.966   0.334
   34    HE1  TYR   5           HE1      TYR   5  -0.256  -5.922  -4.470
   35    HE2  TYR   5           HE2      TYR   5   1.774  -7.655  -1.141
   36    HH   TYR   5           HH       TYR   5   2.739  -7.032  -3.294
   37    H    THR   6           H        THR   6  -4.165  -2.445   0.043
   38    HA   THR   6           HA       THR   6  -5.656  -3.454   2.275
   39    HB   THR   6           HB       THR   6  -5.440  -1.020   3.357
   40    HG1  THR   6           HG1      THR   6  -3.780  -0.009   2.532
   41   HG21  THR   6          HG21      THR   6  -4.916  -3.435   4.240
   42   HG22  THR   6          HG22      THR   6  -4.298  -2.022   5.093
   43   HG23  THR   6          HG23      THR   6  -3.242  -2.933   4.014
   44    H    LEU   7           H        LEU   7  -7.665  -2.342   2.589
   45    HA   LEU   7           HA       LEU   7  -8.938  -1.543   0.256
   46    HB2  LEU   7           HB1      LEU   7  -9.580  -1.222   3.160
   47    HB3  LEU   7           HB2      LEU   7 -10.612  -0.480   1.938
   48    HG   LEU   7           HG       LEU   7 -10.660  -2.919   0.958
   49   HD11  LEU   7          HD11      LEU   7  -9.499  -4.367   2.193
   50   HD12  LEU   7          HD12      LEU   7 -10.817  -4.245   3.357
   51   HD13  LEU   7          HD13      LEU   7  -9.377  -3.247   3.550
   52   HD21  LEU   7          HD21      LEU   7 -12.746  -3.202   1.939
   53   HD22  LEU   7          HD22      LEU   7 -12.498  -1.457   2.026
   54   HD23  LEU   7          HD23      LEU   7 -12.244  -2.457   3.457
   55    H    GLN   8           H        GLN   8  -7.275   0.372   2.685
   56    HA   GLN   8           HA       GLN   8  -8.160   2.907   1.774
   57    HB2  GLN   8           HB1      GLN   8  -5.664   2.172   3.312
   58    HB3  GLN   8           HB2      GLN   8  -6.290   3.802   3.112
   59    HG2  GLN   8           HG1      GLN   8  -7.143   3.324   5.156
   60    HG3  GLN   8           HG2      GLN   8  -8.459   2.720   4.151
   61   HE21  GLN   8          HE21      GLN   8  -9.045   1.379   5.929
   62   HE22  GLN   8          HE22      GLN   8  -8.198  -0.095   6.230
   63    H    SER   9           H        SER   9  -5.740   0.702   0.684
   64    HA   SER   9           HA       SER   9  -4.344   0.723  -1.114
   65    HB2  SER   9           HB1      SER   9  -6.507   1.921  -2.070
   66    HB3  SER   9           HB2      SER   9  -5.437   3.324  -2.103
   67    HG   SER   9           HG       SER   9  -5.386   1.009  -3.627
   68    H    CYS  10           H        CYS  10  -3.335   1.717   1.227
   69    HA   CYS  10           HA       CYS  10  -2.185   4.270   1.098
   70    HB2  CYS  10           HB1      CYS  10  -0.544   3.344   2.775
   71    HB3  CYS  10           HB2      CYS  10  -2.241   3.139   3.202
   72    H    PHE  11           H        PHE  11  -0.033   4.920   0.636
   73    HA   PHE  11           HA       PHE  11   1.010   3.820  -1.761
   74    HB2  PHE  11           HB1      PHE  11   1.860   5.985   0.123
   75    HB3  PHE  11           HB2      PHE  11   2.995   5.417  -1.096
   76    HD1  PHE  11           HD1      PHE  11  -0.669   6.129  -1.091
   77    HD2  PHE  11           HD2      PHE  11   3.132   6.877  -2.852
   78    HE1  PHE  11           HE1      PHE  11  -1.734   7.594  -2.756
   79    HE2  PHE  11           HE2      PHE  11   2.074   8.344  -4.521
   80    HZ   PHE  11           HZ       PHE  11  -0.362   8.705  -4.473
   81    HA   PRO  12           HA       PRO  12   3.868   0.798  -0.368
   82    HB2  PRO  12           HB1      PRO  12   5.900   1.106  -2.142
   83    HB3  PRO  12           HB2      PRO  12   4.343   0.390  -2.579
   84    HG2  PRO  12           HG1      PRO  12   5.333   3.181  -3.016
   85    HG3  PRO  12           HG2      PRO  12   4.439   2.125  -4.125
   86    HD2  PRO  12           HD1      PRO  12   3.243   4.101  -2.712
   87    HD3  PRO  12           HD2      PRO  12   2.411   2.589  -3.132
   88    H    ASP  13           H        ASP  13   5.630   0.526   0.951
   89    HA   ASP  13           HA       ASP  13   7.347   2.863   1.432
   90    HB2  ASP  13           HB1      ASP  13   5.729   2.887   3.220
   91    HB3  ASP  13           HB2      ASP  13   5.973   1.169   3.524
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1   9.393   2.231   0.476
    2    HA2  GLY   1           HA1      GLY   1  10.603   0.625  -0.675
    3    HA3  GLY   1           HA2      GLY   1  10.489  -0.198   0.874
    4    H    ARG   2           H        ARG   2   8.578  -1.587   1.210
    5    HA   ARG   2           HA       ARG   2   8.044  -3.099  -1.222
    6    HB2  ARG   2           HB1      ARG   2   7.489  -3.697   1.687
    7    HB3  ARG   2           HB2      ARG   2   7.067  -4.774   0.362
    8    HG2  ARG   2           HG1      ARG   2   9.351  -5.131  -0.183
    9    HG3  ARG   2           HG2      ARG   2   9.875  -3.847   0.907
   10    HD2  ARG   2           HD1      ARG   2   9.238  -5.113   2.824
   11    HD3  ARG   2           HD2      ARG   2   8.420  -6.316   1.829
   12    HE   ARG   2           HE       ARG   2  10.975  -6.423   0.950
   13   HH11  ARG   2          HH11      ARG   2   9.521  -6.603   4.109
   14   HH12  ARG   2          HH12      ARG   2  10.753  -7.633   4.760
   15   HH21  ARG   2          HH21      ARG   2  12.601  -7.780   1.796
   16   HH22  ARG   2          HH22      ARG   2  12.504  -8.302   3.444
   17    HA   PRO   3           HA       PRO   3   3.914  -1.727  -1.791
   18    HB2  PRO   3           HB1      PRO   3   2.733  -3.984  -2.731
   19    HB3  PRO   3           HB2      PRO   3   3.871  -3.025  -3.686
   20    HG2  PRO   3           HG1      PRO   3   4.349  -5.539  -2.134
   21    HG3  PRO   3           HG2      PRO   3   4.930  -5.093  -3.748
   22    HD2  PRO   3           HD1      PRO   3   6.483  -4.910  -1.537
   23    HD3  PRO   3           HD2      PRO   3   6.641  -3.796  -2.910
   24    H    CYS   4           H        CYS   4   1.841  -1.763  -0.896
   25    HA   CYS   4           HA       CYS   4   1.489  -3.585   1.395
   26    HB2  CYS   4           HB1      CYS   4   0.097  -1.684   2.374
   27    HB3  CYS   4           HB2      CYS   4   1.841  -1.442   2.332
   28    H    TYR   5           H        TYR   5  -0.656  -4.241   1.888
   29    HA   TYR   5           HA       TYR   5  -2.505  -4.021  -0.397
   30    HB2  TYR   5           HB1      TYR   5  -2.414  -6.313   1.564
   31    HB3  TYR   5           HB2      TYR   5  -3.260  -6.242   0.022
   32    HD1  TYR   5           HD1      TYR   5  -1.544  -5.622  -2.012
   33    HD2  TYR   5           HD2      TYR   5  -0.536  -7.636   1.598
   34    HE1  TYR   5           HE1      TYR   5   0.399  -6.637  -3.127
   35    HE2  TYR   5           HE2      TYR   5   1.411  -8.656   0.493
   36    HH   TYR   5           HH       TYR   5   1.868  -9.140  -2.348
   37    H    THR   6           H        THR   6  -4.082  -2.651   0.104
   38    HA   THR   6           HA       THR   6  -5.782  -3.156   2.357
   39    HB   THR   6           HB       THR   6  -5.489  -0.576   2.994
   40    HG1  THR   6           HG1      THR   6  -3.628  -0.599   1.399
   41   HG21  THR   6          HG21      THR   6  -3.401  -2.019   4.364
   42   HG22  THR   6          HG22      THR   6  -4.822  -3.040   4.144
   43   HG23  THR   6          HG23      THR   6  -4.971  -1.486   4.964
   44    H    LEU   7           H        LEU   7  -7.791  -2.171   2.167
   45    HA   LEU   7           HA       LEU   7  -8.402  -1.167  -0.480
   46    HB2  LEU   7           HB1      LEU   7 -10.036  -1.988   1.894
   47    HB3  LEU   7           HB2      LEU   7 -10.771  -1.120   0.547
   48    HG   LEU   7           HG       LEU   7  -9.318  -3.743   0.247
   49   HD11  LEU   7          HD11      LEU   7 -11.255  -4.029   1.706
   50   HD12  LEU   7          HD12      LEU   7 -11.516  -4.786   0.135
   51   HD13  LEU   7          HD13      LEU   7 -12.280  -3.240   0.506
   52   HD21  LEU   7          HD21      LEU   7 -10.492  -1.819  -1.577
   53   HD22  LEU   7          HD22      LEU   7 -11.193  -3.427  -1.763
   54   HD23  LEU   7          HD23      LEU   7  -9.450  -3.201  -1.910
   55    H    GLN   8           H        GLN   8  -7.309   0.234   2.274
   56    HA   GLN   8           HA       GLN   8  -8.950   2.640   2.094
   57    HB2  GLN   8           HB1      GLN   8  -6.997   1.548   4.057
   58    HB3  GLN   8           HB2      GLN   8  -7.176   3.296   3.972
   59    HG2  GLN   8           HG1      GLN   8  -9.647   2.948   4.269
   60    HG3  GLN   8           HG2      GLN   8  -9.287   1.258   4.616
   61   HE21  GLN   8          HE21      GLN   8  -7.100   1.347   6.147
   62   HE22  GLN   8          HE22      GLN   8  -7.401   2.209   7.613
   63    H    SER   9           H        SER   9  -6.852   1.653   0.084
   64    HA   SER   9           HA       SER   9  -5.315   2.566  -1.322
   65    HB2  SER   9           HB1      SER   9  -7.134   4.350  -1.369
   66    HB3  SER   9           HB2      SER   9  -6.141   5.257  -0.227
   67    HG   SER   9           HG       SER   9  -5.672   4.657  -2.921
   68    H    CYS  10           H        CYS  10  -3.494   1.738  -0.297
   69    HA   CYS  10           HA       CYS  10  -2.101   3.574   1.536
   70    HB2  CYS  10           HB1      CYS  10  -2.411   1.532   2.674
   71    HB3  CYS  10           HB2      CYS  10  -2.021   0.579   1.245
   72    H    PHE  11           H        PHE  11  -0.019   4.202   1.117
   73    HA   PHE  11           HA       PHE  11   0.892   3.795  -1.621
   74    HB2  PHE  11           HB1      PHE  11   1.673   5.721   0.560
   75    HB3  PHE  11           HB2      PHE  11   2.613   5.562  -0.920
   76    HD1  PHE  11           HD2      PHE  11   1.041   5.600  -3.118
   77    HD2  PHE  11           HD1      PHE  11   0.165   7.435   0.621
   78    HE1  PHE  11           HE2      PHE  11  -0.475   7.173  -4.249
   79    HE2  PHE  11           HE1      PHE  11  -1.353   9.010  -0.503
   80    HZ   PHE  11           HZ       PHE  11  -1.676   8.879  -2.942
   81    HA   PRO  12           HA       PRO  12   4.145   1.003  -0.683
   82    HB2  PRO  12           HB1      PRO  12   6.067   1.803  -2.426
   83    HB3  PRO  12           HB2      PRO  12   4.601   0.956  -2.934
   84    HG2  PRO  12           HG1      PRO  12   5.217   3.885  -3.004
   85    HG3  PRO  12           HG2      PRO  12   4.430   2.878  -4.234
   86    HD2  PRO  12           HD1      PRO  12   3.037   4.479  -2.553
   87    HD3  PRO  12           HD2      PRO  12   2.392   2.941  -3.161
   88    H    ASP  13           H        ASP  13   5.878   0.804   0.653
   89    HA   ASP  13           HA       ASP  13   7.445   3.197   1.299
   90    HB2  ASP  13           HB1      ASP  13   5.594   2.908   2.977
   91    HB3  ASP  13           HB2      ASP  13   6.315   1.363   3.420