*HEADER    SIGNALING PROTEIN INHIBITOR, TOXIN      02-SEP-07   2JUQ              
*TITLE     ALPHA-RGIA, A NOVEL CONOTOXIN THAT BLOCKS THE                         
*TITLE    2 ALPHA9-ALPHA10 NACHR                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN RGIA;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 20-32;                                            
*COMPND   5 SYNONYM: ALPHA-RGIA;                                                 
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SEQUENCE OCCURS NATURALLY IN CONUS REGIUS             
*SOURCE   4 (CROWN CONE)                                                         
*KEYWDS    TWO-LOOP BACKBONE ARCHITECTURE, DISULFIDE BOND, SIGNALING             
*KEYWDS   2 PROTEIN INHIBITOR, TOXIN                                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Z.FENG, M.ELLISON                                                     
*REVDAT   1   25-MAY-11 2JUQ    0                                                


class ss
assign (resid 2 and name sg) (resid 8 and name sg)  2.02 0.1 0.1
assign (resid 3 and name sg) (resid 12 and name sg)  2.02 0.1 0.1

assign (resid    2 and name   HA ) (resid    8 and name  HB2 ) 4.65 2.85 0.0 
assign (resid    2 and name   HA ) (resid    8 and name  HB1 ) 5.10 3.30 0.0 
assign (resid    2 and name  HB2 ) (resid   12 and name  HB# ) 4.25 3.45 0.0 

assign (resid    2 and name   HA ) (resid    2 and name  HB2 ) 3.38 1.58 0.0
assign (resid    2 and name   HA ) (resid    2 and name  HB1 ) 4.24 2.44 0.0
assign (resid    2 and name  HB1 ) (resid    2 and name  HB2 ) 2.82 1.02 0.0
assign (resid    2 and name   HN ) (resid    2 and name   HA ) 3.13 1.33 0.0
assign (resid    2 and name   HN ) (resid    2 and name  HB2 ) 2.81 1.01 0.0
assign (resid    2 and name   HN ) (resid    2 and name  HB1 ) 3.77 1.97 0.0 
assign (resid    3 and name   HA ) (resid    3 and name  HB2 ) 2.96 1.16 0.0 
assign (resid    3 and name   HA ) (resid    3 and name  HB1 ) 5.14 3.34 0.0
assign (resid    3 and name  HB1 ) (resid    3 and name  HB2 ) 3.04 1.24 0.0
assign (resid    3 and name   HN ) (resid    3 and name  HB2 ) 3.48 1.68 0.0 
assign (resid    3 and name   HN ) (resid    3 and name  HB1 ) 3.70 1.90 0.0
assign (resid    4 and name   HA ) (resid    4 and name  HB2 ) 2.70 0.90 0.0
assign (resid    4 and name   HA ) (resid    4 and name  HB1 ) 2.90 1.10 0.0
assign (resid    4 and name   HN ) (resid    4 and name   HA ) 3.39 1.59 0.0
assign (resid    4 and name   HN ) (resid    4 and name  HB2 ) 4.44 2.64 0.0
assign (resid    4 and name   HN ) (resid    4 and name  HB1 ) 4.27 2.47 0.0
assign (resid    5 and name   HA ) (resid    5 and name  HB2 ) 3.73 1.93 0.0
assign (resid    5 and name   HA ) (resid    5 and name  HB1 ) 2.57 0.87 0.0 
assign (resid    5 and name  HB1 ) (resid    5 and name  HB2 ) 4.41 2.61 0.0
assign (resid    5 and name   HN ) (resid    5 and name   HA ) 4.45 2.65 0.0
assign (resid    5 and name   HN ) (resid    5 and name  HB2 ) 3.83 2.03 0.0
assign (resid    5 and name   HN ) (resid    5 and name  HB1 ) 3.77 1.97 0.0
assign (resid    6 and name   HA ) (resid    6 and name   HB ) 3.60 1.80 0.0
assign (resid    6 and name   HA ) (resid    6 and name  HG# ) 3.88 2.08 0.0
assign (resid    6 and name   HN ) (resid    6 and name   HA ) 3.35 1.55 0.0
assign (resid    6 and name   HN ) (resid    6 and name   HB ) 3.49 1.69 0.0
assign (resid    6 and name   HN ) (resid    6 and name  HG# ) 3.15 1.35 0.0
assign (resid    6 and name  HG# ) (resid    6 and name   HB ) 3.02 1.22 0.0
assign (resid    7 and name   HA ) (resid    7 and name  HB2 ) 3.82 2.02 0.0
assign (resid    7 and name   HA ) (resid    7 and name  HB1 ) 3.75 1.95 0.0
assign (resid    7 and name   HA ) (resid    7 and name  HD# ) 5.04 3.24 0.0
assign (resid    7 and name   HA ) (resid    7 and name  HG# ) 3.75 1.95 0.0
assign (resid    7 and name  HB2 ) (resid    7 and name   HE ) 4.13 2.33 0.0
assign (resid    7 and name  HB1 ) (resid    7 and name  HB2 ) 2.76 0.96 0.0
assign (resid    7 and name  HB1 ) (resid    7 and name  HG# ) 2.86 1.06 0.0
assign (resid    7 and name   HN ) (resid    7 and name   HA ) 5.50 3.70 0.0
assign (resid    7 and name   HN ) (resid    7 and name  HB2 ) 3.66 1.86 0.0
assign (resid    7 and name   HN ) (resid    7 and name  HB1 ) 4.76 2.96 0.0
assign (resid    7 and name   HN ) (resid    7 and name  HG# ) 3.68 1.88 0.0
assign (resid    8 and name   HA ) (resid    8 and name  HB2 ) 4.68 2.88 0.0
assign (resid    8 and name   HA ) (resid    8 and name  HB1 ) 3.28 1.48 0.0
assign (resid    8 and name   HN ) (resid    8 and name   HA ) 3.26 1.46 0.0
assign (resid    8 and name   HN ) (resid    8 and name  HB2 ) 4.02 2.22 0.0
assign (resid    8 and name   HN ) (resid    8 and name  HB1 ) 3.10 1.30 0.0
assign (resid    9 and name   HA ) (resid    9 and name  HG2 ) 4.53 2.73 0.0
assign (resid    9 and name   HA ) (resid    9 and name  HG1 ) 4.46 2.66 0.0
assign (resid    9 and name   HA ) (resid    9 and name  HB# ) 3.10 1.30 0.0
assign (resid    9 and name   HA ) (resid    9 and name  HD# ) 4.85 3.05 0.0
assign (resid    9 and name   HN ) (resid    9 and name   HA ) 3.55 1.75 0.0
assign (resid    9 and name   HN ) (resid    9 and name  HG2 ) 4.30 2.50 0.0
assign (resid    9 and name   HN ) (resid    9 and name  HG1 ) 3.92 2.12 0.0
assign (resid    9 and name   HN ) (resid    9 and name  HB# ) 3.23 1.43 0.0
assign (resid    9 and name  HB# ) (resid    9 and name  HG2 ) 3.60 1.80 0.0
assign (resid    9 and name  HB# ) (resid    9 and name  HG1 ) 3.09 1.29 0.0
assign (resid   10 and name  HB2 ) (resid   10 and name  HD# ) 3.59 1.79 0.0
assign (resid   10 and name  HB1 ) (resid   10 and name  HD# ) 3.37 1.57 0.0
assign (resid   10 and name   HN ) (resid   10 and name   HA ) 3.88 2.08 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HB2 ) 3.85 2.05 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HB1 ) 3.80 2.00 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HD# ) 3.69 1.89 0.0
assign (resid   10 and name  HD# ) (resid   10 and name  HE# ) 2.40 0.60 0.0
assign (resid   11 and name   HA ) (resid   11 and name  HG# ) 4.12 2.32 0.0
assign (resid   11 and name  HB2 ) (resid   11 and name  HG# ) 3.16 1.36 0.0
assign (resid   11 and name   HN ) (resid   11 and name   HA ) 3.53 1.73 0.0
assign (resid   11 and name   HN ) (resid   11 and name  HB2 ) 3.66 1.86 0.0
assign (resid   11 and name   HN ) (resid   11 and name  HB1 ) 3.99 2.19 0.0
assign (resid   11 and name   HN ) (resid   11 and name  HG# ) 3.98 2.18 0.0
assign (resid   12 and name   HA ) (resid   12 and name  HB# ) 3.22 1.42 0.0
assign (resid   12 and name   HN ) (resid   12 and name   HA ) 3.81 2.01 0.0
assign (resid   12 and name   HN ) (resid   12 and name  HB# ) 3.48 1.68 0.0
assign (resid   13 and name  HB2 ) (resid   13 and name  HG# ) 2.70 0.90 0.0
assign (resid   13 and name   HN ) (resid   13 and name   HA ) 3.63 1.83 0.0
assign (resid   13 and name   HN ) (resid   13 and name  HB2 ) 4.34 2.54 0.0
assign (resid   13 and name   HN ) (resid   13 and name  HB1 ) 5.25 3.45 0.0
assign (resid   13 and name   HN ) (resid   13 and name  HG# ) 2.98 1.18 0.0



assign (resid    1 and name  HA# ) (resid    2 and name  HB2 ) 4.62 2.82 0.0 
assign (resid    2 and name  HB2 ) (resid    3 and name   HN ) 4.25 2.45 0.0 
assign (resid    2 and name  HB1 ) (resid    3 and name   HN ) 4.61 2.81 0.0
assign (resid    3 and name   HA ) (resid    4 and name  HB2 ) 5.37 3.57 0.0 
assign (resid    3 and name   HA ) (resid    4 and name   HN ) 3.72 1.92 0.0
assign (resid    3 and name  HB2 ) (resid    4 and name   HN ) 4.72 2.92 0.0
assign (resid    3 and name  HB1 ) (resid    4 and name   HN ) 4.74 2.94 0.0
assign (resid    3 and name   HN ) (resid    4 and name   HN ) 4.38 2.58 0.0 
assign (resid    4 and name   HA ) (resid    5 and name   HN ) 4.05 2.25 0.0
assign (resid    5 and name   HA ) (resid    6 and name   HN ) 3.15 1.35 0.0
assign (resid    5 and name  HB2 ) (resid    6 and name   HN ) 4.78 2.98 0.0
assign (resid    5 and name  HB1 ) (resid    6 and name   HN ) 4.52 2.72 0.0
assign (resid    6 and name   HA ) (resid    7 and name   HN ) 4.03 2.23 0.0
assign (resid    6 and name   HB ) (resid    7 and name   HN ) 4.80 3.00 0.0
assign (resid    6 and name  HG# ) (resid    7 and name   HN ) 4.05 2.25 0.0
assign (resid    7 and name   HA ) (resid    8 and name   HN ) 3.63 1.83 0.0
assign (resid    7 and name  HB1 ) (resid    8 and name   HN ) 4.85 3.05 0.0
assign (resid    7 and name  HB2 ) (resid    8 and name   HN ) 4.12 2.32 0.0
assign (resid    7 and name   HN ) (resid    8 and name   HN ) 2.68 0.88 0.0
assign (resid    7 and name  HG# ) (resid    8 and name   HN ) 4.63 2.83 0.0
assign (resid    8 and name   HA ) (resid    9 and name   HN ) 3.46 1.66 0.0 
assign (resid    8 and name   HA ) (resid    9 and name  HB# ) 5.45 3.65 0.0 
assign (resid    8 and name  HB2 ) (resid    9 and name   HN ) 5.14 3.34 0.0
assign (resid    8 and name  HB1 ) (resid    9 and name   HN ) 4.29 2.49 0.0
assign (resid    9 and name   HA ) (resid   10 and name   HN ) 4.10 2.30 0.0
assign (resid    9 and name  HG2 ) (resid   10 and name   HN ) 3.24 1.44 0.0 
assign (resid    9 and name  HG1 ) (resid   10 and name   HN ) 2.88 1.08 0.0
assign (resid    9 and name   HN ) (resid   10 and name   HN ) 4.05 2.25 0.0
assign (resid    9 and name  HB# ) (resid   10 and name   HN ) 4.45 2.65 0.0
assign (resid   10 and name   HA ) (resid   11 and name   HN ) 3.60 1.80 0.0
assign (resid   10 and name  HB2 ) (resid   11 and name   HN ) 4.22 2.42 0.0
assign (resid   10 and name  HB1 ) (resid   11 and name   HN ) 4.00 2.20 0.0
assign (resid   10 and name   HN ) (resid   11 and name   HN ) 4.85 3.05 0.0
assign (resid   10 and name  HD# ) (resid   11 and name   HN ) 4.61 2.81 0.0
assign (resid   11 and name   HA ) (resid   12 and name   HN ) 3.69 1.89 0.0
assign (resid   11 and name  HB2 ) (resid   12 and name   HN ) 5.50 3.70 0.0
assign (resid   11 and name  HB1 ) (resid   12 and name   HN ) 4.68 2.88 0.0
assign (resid   12 and name   HA ) (resid   13 and name   HN ) 3.48 1.68 0.0
assign (resid   12 and name   HN ) (resid   13 and name   HN ) 4.09 2.29 0.0
assign (resid   12 and name  HB# ) (resid   13 and name   HN ) 4.02 2.22 0.0


assign (resid    3 and name   HA ) (resid    5 and name  HB2 ) 5.05 3.25 0.0 
assign (resid    5 and name   HA ) (resid    7 and name   HN ) 4.67 2.87 0.0 
assign (resid    5 and name  HB2 ) (resid    7 and name   HN ) 5.50 3.70 0.0
assign (resid    6 and name   HA ) (resid    8 and name   HN ) 4.63 2.83 0.0
assign (resid    6 and name   HA ) (resid    9 and name  HG1 ) 5.07 3.27 0.0
assign (resid    6 and name   HA ) (resid    9 and name  HB# ) 6.00 4.20 0.0 
assign (resid    6 and name   HN ) (resid    8 and name   HN ) 4.48 2.68 0.0
assign (resid    8 and name  HB1 ) (resid   10 and name   HN ) 5.63 3.83 0.0 





!Phi angle restraints

assign (resid  2 and name C  ) (resid  3 and name N )
       (resid  3 and name CA ) (resid  3 and name C ) 1.0  -60.0  30.0 2                                                    
assign (resid  3 and name C  ) (resid  4 and name N )
       (resid  4 and name CA ) (resid  4 and name C ) 1.0  -60.0  30.0 2         

assign (resid  4 and name C  ) (resid  5 and name N )
       (resid  5 and name CA ) (resid  5 and name C ) 1.0 -90  40.0 2


assign (resid  8 and name C  ) (resid  9 and name N )
       (resid  9 and name CA ) (resid  9 and name C ) 1.0 -60.0  40.0 2

assign (resid  9 and name C  ) (resid  10 and name N )
       (resid  10 and name CA ) (resid  10 and name C ) 1.0 -60.0  30.0 2

assign (resid  10 and name C  ) (resid  11 and name N )
       (resid  11 and name CA ) (resid  11 and name C ) 1.0 -60.0  30.0 2

assign (resid  11 and name C  ) (resid  12 and name N )
       (resid  12 and name CA ) (resid  12 and name C ) 1.0 -60.0  30.0 2





!Chi1 Angles

assign (resid  10 and name N  ) (resid  10 and name CA )
      (resid  10 and name CB ) (resid  10 and name CG ) 1.0 -60.0  30.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  -0.402   9.741  -1.643
    2    HA2  GLY   1           2HA      GLY   1  -2.425   8.803   0.225
    3    HA3  GLY   1           1HA      GLY   1  -2.717   9.334  -1.433
    4    H    CYS   2           H        CYS   2  -0.849   6.653   0.055
    5    HA   CYS   2           HA       CYS   2  -2.127   4.824  -1.951
    6    HB2  CYS   2           2HB      CYS   2   0.567   5.358  -1.123
    7    HB3  CYS   2           1HB      CYS   2   0.173   3.696  -0.676
    8    H    CYS   3           H        CYS   3  -0.998   4.995   1.442
    9    HA   CYS   3           HA       CYS   3  -2.063   2.464   2.266
   10    HB2  CYS   3           2HB      CYS   3  -0.851   4.874   3.393
   11    HB3  CYS   3           1HB      CYS   3  -2.044   4.155   4.480
   12    H    SER   4           H        SER   4  -3.645   5.388   1.453
   13    HA   SER   4           HA       SER   4  -5.867   5.306   3.277
   14    HB2  SER   4           2HB      SER   4  -4.860   6.961   1.330
   15    HB3  SER   4           1HB      SER   4  -6.335   6.361   0.579
   16    HG   SER   4           HG       SER   4  -5.988   8.063   2.696
   17    H    ASP   5           H        ASP   5  -5.034   3.261   0.654
   18    HA   ASP   5           HA       ASP   5  -7.885   2.415   0.309
   19    HB2  ASP   5           2HB      ASP   5  -5.410   1.924  -1.380
   20    HB3  ASP   5           1HB      ASP   5  -7.059   1.458  -1.814
   21    H    VAL   6           H        VAL   6  -5.421   1.641   2.230
   22    HA   VAL   6           HA       VAL   6  -4.726  -0.319   3.348
   23    HB   VAL   6           HB       VAL   6  -7.442  -1.222   2.344
   24   HG11  VAL   6          1HG1      VAL   6  -7.292  -2.349   4.714
   25   HG12  VAL   6          2HG1      VAL   6  -5.554  -2.133   4.500
   26   HG13  VAL   6          3HG1      VAL   6  -6.472  -3.101   3.346
   27   HG21  VAL   6          3HG2      VAL   6  -6.840   0.143   4.972
   28   HG22  VAL   6          1HG2      VAL   6  -8.407  -0.102   4.201
   29   HG23  VAL   6          2HG2      VAL   6  -7.268   1.068   3.531
   30    H    ARG   7           H        ARG   7  -4.541  -0.112   0.183
   31    HA   ARG   7           HA       ARG   7  -3.908  -3.019  -0.221
   32    HB2  ARG   7           2HB      ARG   7  -5.425  -1.007  -1.779
   33    HB3  ARG   7           1HB      ARG   7  -4.329  -2.018  -2.728
   34    HG2  ARG   7           2HG      ARG   7  -5.388  -3.974  -1.314
   35    HG3  ARG   7           1HG      ARG   7  -6.706  -2.826  -1.085
   36    HD2  ARG   7           2HD      ARG   7  -6.625  -2.514  -3.660
   37    HD3  ARG   7           1HD      ARG   7  -5.694  -4.025  -3.664
   38    HE   ARG   7           HE       ARG   7  -8.111  -4.149  -2.022
   39   HH11  ARG   7          1HH2      ARG   7  -6.715  -4.500  -5.160
   40   HH12  ARG   7          2HH2      ARG   7  -7.915  -5.620  -5.712
   41   HH21  ARG   7          1HH1      ARG   7  -9.680  -5.613  -2.727
   42   HH22  ARG   7          2HH1      ARG   7  -9.590  -6.252  -4.334
   43    H    CYS   8           H        CYS   8  -2.858   0.279  -0.418
   44    HA   CYS   8           HA       CYS   8  -0.400  -0.449  -1.938
   45    HB2  CYS   8           2HB      CYS   8  -2.081   1.610  -2.207
   46    HB3  CYS   8           1HB      CYS   8  -1.072   2.287  -0.933
   47    H    ARG   9           H        ARG   9   0.359  -1.696   0.035
   48    HA   ARG   9           HA       ARG   9   1.088  -0.057   2.398
   49    HB2  ARG   9           2HB      ARG   9   1.830  -2.941   2.011
   50    HB3  ARG   9           1HB      ARG   9   1.312  -2.116   3.479
   51    HG2  ARG   9           2HG      ARG   9  -0.668  -3.161   3.072
   52    HG3  ARG   9           1HG      ARG   9  -0.917  -1.842   1.926
   53    HD2  ARG   9           2HD      ARG   9  -1.231  -3.600   0.458
   54    HD3  ARG   9           1HD      ARG   9   0.542  -3.542   0.379
   55    HE   ARG   9           HE       ARG   9   0.627  -5.507   1.704
   56   HH11  ARG   9          1HH2      ARG   9  -2.504  -4.046   1.736
   57   HH12  ARG   9          2HH2      ARG   9  -3.251  -5.363   2.573
   58   HH21  ARG   9          1HH1      ARG   9  -0.340  -7.230   2.796
   59   HH22  ARG   9          2HH1      ARG   9  -2.028  -7.163   3.175
   60    H    TYR  10           H        TYR  10   2.615  -1.897  -0.218
   61    HA   TYR  10           HA       TYR  10   5.305  -1.829   0.576
   62    HB2  TYR  10           2HB      TYR  10   3.875  -1.679  -2.079
   63    HB3  TYR  10           1HB      TYR  10   5.636  -1.774  -1.992
   64    HD1  TYR  10           1HD      TYR  10   3.878  -3.387   0.733
   65    HD2  TYR  10           2HD      TYR  10   5.329  -3.934  -3.272
   66    HE1  TYR  10           1HE      TYR  10   3.721  -5.838   1.010
   67    HE2  TYR  10           2HE      TYR  10   5.173  -6.382  -2.993
   68    HH   TYR  10           HH       TYR  10   4.218  -7.829   0.115
   69    H    ARG  11           H        ARG  11   4.039   0.431  -1.889
   70    HA   ARG  11           HA       ARG  11   6.141   2.319  -1.662
   71    HB2  ARG  11           2HB      ARG  11   3.332   2.249  -2.688
   72    HB3  ARG  11           1HB      ARG  11   4.144   3.813  -2.604
   73    HG2  ARG  11           2HG      ARG  11   5.323   3.329  -4.458
   74    HG3  ARG  11           1HG      ARG  11   5.965   1.875  -3.693
   75    HD2  ARG  11           2HD      ARG  11   3.169   1.547  -4.506
   76    HD3  ARG  11           1HD      ARG  11   4.243   1.898  -5.874
   77    HE   ARG  11           HE       ARG  11   4.271  -0.538  -4.314
   78   HH11  ARG  11          1HH2      ARG  11   6.238   1.792  -5.934
   79   HH12  ARG  11          2HH2      ARG  11   7.518   0.674  -6.261
   80   HH21  ARG  11          1HH1      ARG  11   5.931  -2.007  -4.738
   81   HH22  ARG  11          2HH1      ARG  11   7.346  -1.475  -5.584
   82    H    CYS  12           H        CYS  12   3.275   1.873   0.316
   83    HA   CYS  12           HA       CYS  12   2.945   4.406   1.491
   84    HB2  CYS  12           2HB      CYS  12   1.609   2.277   1.800
   85    HB3  CYS  12           1HB      CYS  12   2.867   1.731   2.907
   86    H    ARG  13           H        ARG  13   5.151   1.797   2.478
   87    HA   ARG  13           HA       ARG  13   7.092   1.850   3.824
   88    HB2  ARG  13           2HB      ARG  13   6.902   4.590   2.569
   89    HB3  ARG  13           1HB      ARG  13   8.242   4.176   3.639
   90    HG2  ARG  13           2HG      ARG  13   8.292   2.001   2.058
   91    HG3  ARG  13           1HG      ARG  13   7.609   3.156   0.913
   92    HD2  ARG  13           2HD      ARG  13   9.739   4.487   2.262
   93    HD3  ARG  13           1HD      ARG  13  10.348   2.906   1.730
   94    HE   ARG  13           HE       ARG  13   8.933   3.739  -0.461
   95   HH11  ARG  13          1HH2      ARG  13  11.303   5.226   1.568
   96   HH12  ARG  13          2HH2      ARG  13  11.931   6.235   0.309
   97   HH21  ARG  13          1HH1      ARG  13   9.749   5.048  -2.109
   98   HH22  ARG  13          2HH1      ARG  13  11.055   6.135  -1.768
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  -4.378   8.563  -3.525
    2    HA2  GLY   1           2HA      GLY   1  -2.861   7.984  -1.453
    3    HA3  GLY   1           1HA      GLY   1  -4.578   7.608  -1.297
    4    H    CYS   2           H        CYS   2  -1.456   6.209  -2.272
    5    HA   CYS   2           HA       CYS   2  -2.387   3.497  -2.515
    6    HB2  CYS   2           2HB      CYS   2   0.076   5.040  -2.570
    7    HB3  CYS   2           1HB      CYS   2   0.316   3.507  -1.724
    8    H    CYS   3           H        CYS   3  -1.285   5.447   0.218
    9    HA   CYS   3           HA       CYS   3  -1.189   3.144   2.046
   10    HB2  CYS   3           2HB      CYS   3  -0.268   5.858   1.899
   11    HB3  CYS   3           1HB      CYS   3  -1.197   5.663   3.388
   12    H    SER   4           H        SER   4  -3.223   6.052   1.636
   13    HA   SER   4           HA       SER   4  -5.061   5.821   3.673
   14    HB2  SER   4           2HB      SER   4  -4.816   7.089   1.219
   15    HB3  SER   4           1HB      SER   4  -6.338   6.213   1.080
   16    HG   SER   4           HG       SER   4  -5.546   8.075   3.069
   17    H    ASP   5           H        ASP   5  -4.725   3.676   0.902
   18    HA   ASP   5           HA       ASP   5  -7.231   2.235   1.596
   19    HB2  ASP   5           2HB      ASP   5  -5.212   1.723  -0.608
   20    HB3  ASP   5           1HB      ASP   5  -6.890   1.175  -0.549
   21    H    VAL   6           H        VAL   6  -6.260  -0.333   0.657
   22    HA   VAL   6           HA       VAL   6  -4.242  -1.044   2.755
   23    HB   VAL   6           HB       VAL   6  -6.576  -1.423   3.531
   24   HG11  VAL   6          1HG1      VAL   6  -6.740  -3.424   1.261
   25   HG12  VAL   6          2HG1      VAL   6  -7.457  -1.815   1.185
   26   HG13  VAL   6          3HG1      VAL   6  -8.021  -2.976   2.387
   27   HG21  VAL   6          3HG2      VAL   6  -4.471  -3.078   3.819
   28   HG22  VAL   6          1HG2      VAL   6  -5.567  -4.175   2.981
   29   HG23  VAL   6          2HG2      VAL   6  -6.053  -3.443   4.510
   30    H    ARG   7           H        ARG   7  -4.991  -1.096  -0.477
   31    HA   ARG   7           HA       ARG   7  -3.902  -3.811  -1.008
   32    HB2  ARG   7           2HB      ARG   7  -5.452  -1.705  -2.430
   33    HB3  ARG   7           1HB      ARG   7  -4.398  -2.712  -3.430
   34    HG2  ARG   7           2HG      ARG   7  -5.515  -4.641  -1.921
   35    HG3  ARG   7           1HG      ARG   7  -6.830  -3.465  -1.884
   36    HD2  ARG   7           2HD      ARG   7  -5.492  -4.486  -4.417
   37    HD3  ARG   7           1HD      ARG   7  -7.078  -5.010  -3.813
   38    HE   ARG   7           HE       ARG   7  -6.945  -2.130  -3.952
   39   HH11  ARG   7          1HH2      ARG   7  -7.281  -5.020  -5.812
   40   HH12  ARG   7          2HH2      ARG   7  -8.173  -4.253  -7.081
   41   HH21  ARG   7          1HH1      ARG   7  -8.104  -1.116  -5.603
   42   HH22  ARG   7          2HH1      ARG   7  -8.639  -2.044  -6.964
   43    H    CYS   8           H        CYS   8  -2.975  -0.452  -1.065
   44    HA   CYS   8           HA       CYS   8  -0.291  -1.242  -2.142
   45    HB2  CYS   8           2HB      CYS   8  -1.634  -0.122  -3.867
   46    HB3  CYS   8           1HB      CYS   8  -1.981   1.206  -2.761
   47    H    ARG   9           H        ARG   9  -0.630  -1.205   0.553
   48    HA   ARG   9           HA       ARG   9  -0.051   1.484   1.632
   49    HB2  ARG   9           2HB      ARG   9  -0.325   0.365   3.759
   50    HB3  ARG   9           1HB      ARG   9  -1.571  -0.257   2.678
   51    HG2  ARG   9           2HG      ARG   9   0.904  -1.793   2.476
   52    HG3  ARG   9           1HG      ARG   9   0.263  -1.788   4.117
   53    HD2  ARG   9           2HD      ARG   9  -1.955  -2.146   2.365
   54    HD3  ARG   9           1HD      ARG   9  -0.683  -3.278   1.858
   55    HE   ARG   9           HE       ARG   9  -1.096  -3.103   4.765
   56   HH11  ARG   9          1HH2      ARG   9  -1.858  -4.674   1.778
   57   HH12  ARG   9          2HH2      ARG   9  -2.335  -6.155   2.536
   58   HH21  ARG   9          1HH1      ARG   9  -1.725  -5.023   5.755
   59   HH22  ARG   9          2HH1      ARG   9  -2.265  -6.351   4.783
   60    H    TYR  10           H        TYR  10   1.687  -1.334   0.586
   61    HA   TYR  10           HA       TYR  10   4.070  -0.864   2.210
   62    HB2  TYR  10           2HB      TYR  10   3.151  -2.669   0.011
   63    HB3  TYR  10           1HB      TYR  10   4.893  -2.508   0.259
   64    HD1  TYR  10           2HD      TYR  10   5.895  -3.040   2.480
   65    HD2  TYR  10           1HD      TYR  10   1.774  -3.837   1.581
   66    HE1  TYR  10           2HE      TYR  10   5.767  -4.564   4.426
   67    HE2  TYR  10           1HE      TYR  10   1.644  -5.363   3.529
   68    HH   TYR  10           HH       TYR  10   4.443  -5.823   5.694
   69    H    ARG  11           H        ARG  11   2.778   0.540  -0.634
   70    HA   ARG  11           HA       ARG  11   5.316   1.218  -1.913
   71    HB2  ARG  11           2HB      ARG  11   2.423   1.529  -2.297
   72    HB3  ARG  11           1HB      ARG  11   3.348   2.917  -2.866
   73    HG2  ARG  11           2HG      ARG  11   3.446   1.581  -4.751
   74    HG3  ARG  11           1HG      ARG  11   4.892   1.024  -3.911
   75    HD2  ARG  11           2HD      ARG  11   2.303  -0.337  -3.259
   76    HD3  ARG  11           1HD      ARG  11   3.088  -0.724  -4.804
   77    HE   ARG  11           HE       ARG  11   4.890  -0.704  -2.480
   78   HH11  ARG  11          1HH2      ARG  11   2.792  -2.512  -4.551
   79   HH12  ARG  11          2HH2      ARG  11   3.567  -4.023  -4.227
   80   HH21  ARG  11          1HH1      ARG  11   5.900  -2.677  -2.048
   81   HH22  ARG  11          2HH1      ARG  11   5.318  -4.119  -2.812
   82    H    CYS  12           H        CYS  12   2.779   3.307  -0.472
   83    HA   CYS  12           HA       CYS  12   4.064   5.723  -0.324
   84    HB2  CYS  12           2HB      CYS  12   2.873   5.838   2.043
   85    HB3  CYS  12           1HB      CYS  12   1.923   5.732   0.566
   86    H    ARG  13           H        ARG  13   4.076   4.081   2.808
   87    HA   ARG  13           HA       ARG  13   6.680   5.173   3.473
   88    HB2  ARG  13           2HB      ARG  13   5.047   2.994   4.819
   89    HB3  ARG  13           1HB      ARG  13   6.282   4.001   5.575
   90    HG2  ARG  13           2HG      ARG  13   4.932   5.999   5.220
   91    HG3  ARG  13           1HG      ARG  13   3.726   5.062   4.340
   92    HD2  ARG  13           2HD      ARG  13   3.529   3.635   6.494
   93    HD3  ARG  13           1HD      ARG  13   4.365   4.983   7.292
   94    HE   ARG  13           HE       ARG  13   2.254   6.000   5.630
   95   HH11  ARG  13          1HH2      ARG  13   2.867   4.291   8.568
   96   HH12  ARG  13          2HH2      ARG  13   1.435   4.868   9.352
   97   HH21  ARG  13          1HH1      ARG  13   0.385   6.759   6.642
   98   HH22  ARG  13          2HH1      ARG  13   0.030   6.262   8.264
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  -1.462  10.380  -2.742
    2    HA2  GLY   1           2HA      GLY   1  -0.365   8.942  -1.250
    3    HA3  GLY   1           1HA      GLY   1  -1.740   9.180  -0.170
    4    H    CYS   2           H        CYS   2  -0.224   6.686  -0.861
    5    HA   CYS   2           HA       CYS   2  -2.399   5.086  -2.149
    6    HB2  CYS   2           2HB      CYS   2   0.466   5.184  -2.283
    7    HB3  CYS   2           1HB      CYS   2  -0.009   3.598  -1.664
    8    H    CYS   3           H        CYS   3  -0.436   5.405   0.779
    9    HA   CYS   3           HA       CYS   3  -1.001   3.025   2.137
   10    HB2  CYS   3           2HB      CYS   3  -0.540   5.888   2.878
   11    HB3  CYS   3           1HB      CYS   3  -1.017   4.764   4.157
   12    H    SER   4           H        SER   4  -3.116   5.775   1.541
   13    HA   SER   4           HA       SER   4  -5.155   5.427   3.409
   14    HB2  SER   4           2HB      SER   4  -4.697   6.830   1.087
   15    HB3  SER   4           1HB      SER   4  -6.074   5.825   0.652
   16    HG   SER   4           HG       SER   4  -7.277   6.818   2.116
   17    H    ASP   5           H        ASP   5  -4.697   3.645   0.348
   18    HA   ASP   5           HA       ASP   5  -7.036   1.940   0.794
   19    HB2  ASP   5           2HB      ASP   5  -4.722   2.035  -1.155
   20    HB3  ASP   5           1HB      ASP   5  -5.945   0.762  -1.218
   21    H    VAL   6           H        VAL   6  -6.910  -0.353   1.265
   22    HA   VAL   6           HA       VAL   6  -4.767  -1.066   3.126
   23    HB   VAL   6           HB       VAL   6  -6.168  -3.072   3.407
   24   HG11  VAL   6          1HG1      VAL   6  -7.634  -0.434   3.174
   25   HG12  VAL   6          2HG1      VAL   6  -6.940  -1.158   4.625
   26   HG13  VAL   6          3HG1      VAL   6  -8.368  -1.875   3.879
   27   HG21  VAL   6          3HG2      VAL   6  -8.366  -2.439   1.707
   28   HG22  VAL   6          1HG2      VAL   6  -7.328  -3.865   1.647
   29   HG23  VAL   6          2HG2      VAL   6  -6.910  -2.430   0.712
   30    H    ARG   7           H        ARG   7  -4.861  -1.031  -0.178
   31    HA   ARG   7           HA       ARG   7  -3.301  -3.571  -0.467
   32    HB2  ARG   7           2HB      ARG   7  -4.034  -3.516  -2.763
   33    HB3  ARG   7           1HB      ARG   7  -5.447  -3.151  -1.769
   34    HG2  ARG   7           2HG      ARG   7  -4.730  -0.664  -2.086
   35    HG3  ARG   7           1HG      ARG   7  -3.782  -1.280  -3.440
   36    HD2  ARG   7           2HD      ARG   7  -6.703  -1.998  -3.151
   37    HD3  ARG   7           1HD      ARG   7  -6.198  -0.503  -3.963
   38    HE   ARG   7           HE       ARG   7  -4.561  -2.371  -5.124
   39   HH11  ARG   7          1HH2      ARG   7  -7.958  -2.190  -4.520
   40   HH12  ARG   7          2HH2      ARG   7  -8.382  -3.152  -5.895
   41   HH21  ARG   7          1HH1      ARG   7  -5.108  -3.624  -6.923
   42   HH22  ARG   7          2HH1      ARG   7  -6.774  -3.962  -7.252
   43    H    CYS   8           H        CYS   8  -3.264  -0.080  -1.069
   44    HA   CYS   8           HA       CYS   8  -0.590  -0.217  -2.339
   45    HB2  CYS   8           2HB      CYS   8  -2.831   1.391  -2.571
   46    HB3  CYS   8           1HB      CYS   8  -1.734   2.397  -1.625
   47    H    ARG   9           H        ARG   9  -1.210  -0.834   0.629
   48    HA   ARG   9           HA       ARG   9   0.048   1.298   2.161
   49    HB2  ARG   9           2HB      ARG   9  -0.190  -0.323   3.976
   50    HB3  ARG   9           1HB      ARG   9  -1.648  -0.359   2.982
   51    HG2  ARG   9           2HG      ARG   9  -1.246  -2.618   3.034
   52    HG3  ARG   9           1HG      ARG   9  -0.195  -2.214   1.676
   53    HD2  ARG   9           2HD      ARG   9   0.949  -3.624   3.425
   54    HD3  ARG   9           1HD      ARG   9   1.738  -2.052   3.186
   55    HE   ARG   9           HE       ARG   9  -0.377  -2.047   5.220
   56   HH11  ARG   9          1HH2      ARG   9   2.974  -2.470   4.480
   57   HH12  ARG   9          2HH2      ARG   9   3.505  -2.094   6.084
   58   HH21  ARG   9          1HH1      ARG   9   0.309  -1.562   7.313
   59   HH22  ARG   9          2HH1      ARG   9   2.001  -1.583   7.685
   60    H    TYR  10           H        TYR  10   1.359  -0.793  -0.053
   61    HA   TYR  10           HA       TYR  10   3.802  -1.485   1.463
   62    HB2  TYR  10           2HB      TYR  10   2.610  -2.043  -1.240
   63    HB3  TYR  10           1HB      TYR  10   4.330  -2.348  -0.974
   64    HD1  TYR  10           1HD      TYR  10   0.902  -3.276   0.013
   65    HD2  TYR  10           2HD      TYR  10   5.085  -4.095   0.531
   66    HE1  TYR  10           1HE      TYR  10   0.344  -5.403   1.152
   67    HE2  TYR  10           2HE      TYR  10   4.527  -6.223   1.669
   68    HH   TYR  10           HH       TYR  10   1.577  -6.929   2.904
   69    H    ARG  11           H        ARG  11   3.595  -0.214  -1.849
   70    HA   ARG  11           HA       ARG  11   5.933   1.515  -1.331
   71    HB2  ARG  11           2HB      ARG  11   4.272   0.806  -3.768
   72    HB3  ARG  11           1HB      ARG  11   5.689   1.855  -3.827
   73    HG2  ARG  11           2HG      ARG  11   7.163   0.125  -3.341
   74    HG3  ARG  11           1HG      ARG  11   5.933  -0.824  -2.506
   75    HD2  ARG  11           2HD      ARG  11   5.271  -0.380  -5.329
   76    HD3  ARG  11           1HD      ARG  11   6.786  -1.276  -5.104
   77    HE   ARG  11           HE       ARG  11   4.658  -2.189  -3.329
   78   HH11  ARG  11          1HH2      ARG  11   6.089  -2.401  -6.466
   79   HH12  ARG  11          2HH2      ARG  11   5.509  -4.005  -6.762
   80   HH21  ARG  11          1HH1      ARG  11   3.893  -4.279  -3.709
   81   HH22  ARG  11          2HH1      ARG  11   4.268  -5.066  -5.206
   82    H    CYS  12           H        CYS  12   4.679   2.986   0.157
   83    HA   CYS  12           HA       CYS  12   2.559   4.634  -1.051
   84    HB2  CYS  12           2HB      CYS  12   3.916   4.316   1.605
   85    HB3  CYS  12           1HB      CYS  12   2.962   5.768   1.299
   86    H    ARG  13           H        ARG  13   5.235   5.872   0.895
   87    HA   ARG  13           HA       ARG  13   5.499   8.255  -0.716
   88    HB2  ARG  13           2HB      ARG  13   7.359   8.700   0.823
   89    HB3  ARG  13           1HB      ARG  13   5.993   8.036   1.720
   90    HG2  ARG  13           2HG      ARG  13   7.323   5.752   0.995
   91    HG3  ARG  13           1HG      ARG  13   8.662   6.876   1.231
   92    HD2  ARG  13           2HD      ARG  13   6.517   6.894   3.311
   93    HD3  ARG  13           1HD      ARG  13   7.619   5.502   3.288
   94    HE   ARG  13           HE       ARG  13   9.125   7.926   2.971
   95   HH11  ARG  13          1HH2      ARG  13   7.330   6.072   5.268
   96   HH12  ARG  13          2HH2      ARG  13   8.242   6.636   6.628
   97   HH21  ARG  13          1HH1      ARG  13  10.321   8.666   4.738
   98   HH22  ARG  13          2HH1      ARG  13   9.934   8.100   6.329
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  -4.861   9.077  -0.638
    2    HA2  GLY   1           2HA      GLY   1  -3.615   8.901  -3.174
    3    HA3  GLY   1           1HA      GLY   1  -2.752   8.824  -1.638
    4    H    CYS   2           H        CYS   2  -1.968   6.861  -0.962
    5    HA   CYS   2           HA       CYS   2  -2.862   4.408  -2.430
    6    HB2  CYS   2           2HB      CYS   2  -0.408   5.825  -2.670
    7    HB3  CYS   2           1HB      CYS   2  -0.053   4.337  -1.786
    8    H    CYS   3           H        CYS   3  -1.068   5.732   0.355
    9    HA   CYS   3           HA       CYS   3  -0.996   3.301   1.885
   10    HB2  CYS   3           2HB      CYS   3  -1.080   6.153   2.885
   11    HB3  CYS   3           1HB      CYS   3  -0.297   4.776   3.660
   12    H    SER   4           H        SER   4  -3.339   5.931   1.593
   13    HA   SER   4           HA       SER   4  -5.053   5.453   3.753
   14    HB2  SER   4           2HB      SER   4  -5.027   6.811   1.273
   15    HB3  SER   4           1HB      SER   4  -6.549   5.932   1.348
   16    HG   SER   4           HG       SER   4  -5.612   8.052   2.857
   17    H    ASP   5           H        ASP   5  -4.869   3.754   0.641
   18    HA   ASP   5           HA       ASP   5  -7.154   2.028   1.148
   19    HB2  ASP   5           2HB      ASP   5  -4.811   1.847  -0.776
   20    HB3  ASP   5           1HB      ASP   5  -6.313   0.924  -0.905
   21    H    VAL   6           H        VAL   6  -6.514  -0.501   0.785
   22    HA   VAL   6           HA       VAL   6  -4.509  -1.149   2.923
   23    HB   VAL   6           HB       VAL   6  -6.991  -1.540   3.318
   24   HG11  VAL   6          1HG1      VAL   6  -7.121  -4.008   1.843
   25   HG12  VAL   6          2HG1      VAL   6  -6.756  -2.686   0.733
   26   HG13  VAL   6          3HG1      VAL   6  -8.196  -2.612   1.749
   27   HG21  VAL   6          3HG2      VAL   6  -4.872  -3.658   3.421
   28   HG22  VAL   6          1HG2      VAL   6  -6.524  -4.104   3.848
   29   HG23  VAL   6          2HG2      VAL   6  -5.694  -2.833   4.747
   30    H    ARG   7           H        ARG   7  -4.346  -0.960  -0.198
   31    HA   ARG   7           HA       ARG   7  -3.208  -3.705  -0.608
   32    HB2  ARG   7           2HB      ARG   7  -5.127  -3.617  -1.956
   33    HB3  ARG   7           1HB      ARG   7  -4.935  -1.890  -2.279
   34    HG2  ARG   7           2HG      ARG   7  -3.226  -2.249  -3.850
   35    HG3  ARG   7           1HG      ARG   7  -2.894  -3.876  -3.258
   36    HD2  ARG   7           2HD      ARG   7  -4.137  -4.396  -5.162
   37    HD3  ARG   7           1HD      ARG   7  -5.454  -4.248  -3.982
   38    HE   ARG   7           HE       ARG   7  -6.097  -2.235  -5.036
   39   HH11  ARG   7          1HH2      ARG   7  -2.856  -3.126  -5.835
   40   HH12  ARG   7          2HH2      ARG   7  -2.657  -1.856  -6.996
   41   HH21  ARG   7          1HH1      ARG   7  -5.847  -0.577  -6.544
   42   HH22  ARG   7          2HH1      ARG   7  -4.348  -0.415  -7.397
   43    H    CYS   8           H        CYS   8  -2.976  -0.241  -1.337
   44    HA   CYS   8           HA       CYS   8  -0.280  -0.614  -2.545
   45    HB2  CYS   8           2HB      CYS   8  -2.071   0.763  -3.620
   46    HB3  CYS   8           1HB      CYS   8  -2.055   1.827  -2.214
   47    H    ARG   9           H        ARG   9  -1.422  -0.384   0.504
   48    HA   ARG   9           HA       ARG   9   0.041   1.785   1.681
   49    HB2  ARG   9           2HB      ARG   9  -0.424   0.516   3.771
   50    HB3  ARG   9           1HB      ARG   9  -1.846   0.635   2.740
   51    HG2  ARG   9           2HG      ARG   9  -1.873  -1.635   3.278
   52    HG3  ARG   9           1HG      ARG   9  -0.984  -1.652   1.758
   53    HD2  ARG   9           2HD      ARG   9   0.032  -3.008   3.701
   54    HD3  ARG   9           1HD      ARG   9   1.125  -1.873   2.892
   55    HE   ARG   9           HE       ARG   9   1.147  -0.579   4.868
   56   HH11  ARG   9          1HH2      ARG   9  -1.551  -2.733   4.770
   57   HH12  ARG   9          2HH2      ARG   9  -2.091  -2.332   6.365
   58   HH21  ARG   9          1HH1      ARG   9   0.453  -0.051   6.947
   59   HH22  ARG   9          2HH1      ARG   9  -0.959  -0.815   7.596
   60    H    TYR  10           H        TYR  10   1.179  -1.090   0.273
   61    HA   TYR  10           HA       TYR  10   3.488  -1.441   2.071
   62    HB2  TYR  10           2HB      TYR  10   2.277  -2.742  -0.329
   63    HB3  TYR  10           1HB      TYR  10   3.995  -3.017  -0.044
   64    HD1  TYR  10           2HD      TYR  10   4.750  -3.960   2.173
   65    HD2  TYR  10           1HD      TYR  10   0.615  -3.777   1.019
   66    HE1  TYR  10           2HE      TYR  10   4.190  -5.632   3.910
   67    HE2  TYR  10           1HE      TYR  10   0.056  -5.451   2.757
   68    HH   TYR  10           HH       TYR  10   2.311  -6.400   5.191
   69    H    ARG  11           H        ARG  11   3.148  -0.755  -1.430
   70    HA   ARG  11           HA       ARG  11   5.833   0.038  -1.885
   71    HB2  ARG  11           2HB      ARG  11   3.174   0.692  -3.165
   72    HB3  ARG  11           1HB      ARG  11   4.697   1.270  -3.840
   73    HG2  ARG  11           2HG      ARG  11   5.366  -0.829  -4.498
   74    HG3  ARG  11           1HG      ARG  11   4.543  -1.625  -3.154
   75    HD2  ARG  11           2HD      ARG  11   2.856  -0.265  -5.228
   76    HD3  ARG  11           1HD      ARG  11   3.574  -1.842  -5.616
   77    HE   ARG  11           HE       ARG  11   2.350  -1.761  -2.965
   78   HH11  ARG  11          1HH2      ARG  11   1.897  -2.256  -6.353
   79   HH12  ARG  11          2HH2      ARG  11   0.491  -3.246  -6.150
   80   HH21  ARG  11          1HH1      ARG  11   0.519  -3.051  -2.691
   81   HH22  ARG  11          2HH1      ARG  11  -0.287  -3.696  -4.082
   82    H    CYS  12           H        CYS  12   3.005   1.974  -0.879
   83    HA   CYS  12           HA       CYS  12   4.597   4.453  -0.879
   84    HB2  CYS  12           2HB      CYS  12   2.507   5.491  -0.585
   85    HB3  CYS  12           1HB      CYS  12   2.100   4.049  -1.508
   86    H    ARG  13           H        ARG  13   5.338   2.220   0.984
   87    HA   ARG  13           HA       ARG  13   5.997   1.984   3.245
   88    HB2  ARG  13           2HB      ARG  13   5.767   4.955   2.761
   89    HB3  ARG  13           1HB      ARG  13   6.288   4.330   4.327
   90    HG2  ARG  13           2HG      ARG  13   8.355   3.943   3.531
   91    HG3  ARG  13           1HG      ARG  13   7.699   2.949   2.229
   92    HD2  ARG  13           2HD      ARG  13   8.783   4.704   1.066
   93    HD3  ARG  13           1HD      ARG  13   7.097   5.255   1.122
   94    HE   ARG  13           HE       ARG  13   8.177   6.200   3.492
   95   HH11  ARG  13          1HH2      ARG  13   8.979   6.393   0.138
   96   HH12  ARG  13          2HH2      ARG  13   9.722   7.951   0.273
   97   HH21  ARG  13          1HH1      ARG  13   9.137   8.240   3.677
   98   HH22  ARG  13          2HH1      ARG  13   9.813   8.995   2.271
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  -2.750   8.540   0.339
    2    HA2  GLY   1           2HA      GLY   1  -3.325   8.607  -2.576
    3    HA3  GLY   1           1HA      GLY   1  -1.637   8.507  -2.068
    4    H    CYS   2           H        CYS   2  -0.829   6.483  -1.770
    5    HA   CYS   2           HA       CYS   2  -2.627   4.169  -2.002
    6    HB2  CYS   2           2HB      CYS   2   0.292   4.778  -2.039
    7    HB3  CYS   2           1HB      CYS   2  -0.173   3.134  -1.590
    8    H    CYS   3           H        CYS   3  -1.066   5.955   0.544
    9    HA   CYS   3           HA       CYS   3  -0.919   3.885   2.534
   10    HB2  CYS   3           2HB      CYS   3  -1.351   6.857   2.899
   11    HB3  CYS   3           1HB      CYS   3  -0.572   5.751   4.032
   12    H    SER   4           H        SER   4  -3.507   5.948   1.384
   13    HA   SER   4           HA       SER   4  -5.307   5.460   3.617
   14    HB2  SER   4           2HB      SER   4  -5.085   7.188   1.483
   15    HB3  SER   4           1HB      SER   4  -6.438   6.167   1.004
   16    HG   SER   4           HG       SER   4  -7.550   7.341   2.340
   17    H    ASP   5           H        ASP   5  -4.239   3.573   1.001
   18    HA   ASP   5           HA       ASP   5  -6.755   1.966   0.913
   19    HB2  ASP   5           2HB      ASP   5  -4.275   2.176  -0.816
   20    HB3  ASP   5           1HB      ASP   5  -5.523   0.952  -1.081
   21    H    VAL   6           H        VAL   6  -6.319  -0.480   0.759
   22    HA   VAL   6           HA       VAL   6  -4.418  -1.236   2.928
   23    HB   VAL   6           HB       VAL   6  -6.526  -2.956   1.612
   24   HG11  VAL   6          1HG1      VAL   6  -5.910  -2.921   4.534
   25   HG12  VAL   6          2HG1      VAL   6  -4.702  -3.619   3.454
   26   HG13  VAL   6          3HG1      VAL   6  -6.338  -4.278   3.493
   27   HG21  VAL   6          3HG2      VAL   6  -6.899  -0.506   3.171
   28   HG22  VAL   6          1HG2      VAL   6  -7.674  -1.902   3.919
   29   HG23  VAL   6          2HG2      VAL   6  -8.084  -1.446   2.265
   30    H    ARG   7           H        ARG   7  -5.113  -1.744  -0.481
   31    HA   ARG   7           HA       ARG   7  -3.197  -3.957  -0.762
   32    HB2  ARG   7           2HB      ARG   7  -5.142  -2.414  -2.421
   33    HB3  ARG   7           1HB      ARG   7  -3.824  -3.226  -3.274
   34    HG2  ARG   7           2HG      ARG   7  -5.573  -4.632  -1.241
   35    HG3  ARG   7           1HG      ARG   7  -5.933  -4.616  -2.968
   36    HD2  ARG   7           2HD      ARG   7  -3.237  -5.500  -1.917
   37    HD3  ARG   7           1HD      ARG   7  -4.583  -6.637  -2.135
   38    HE   ARG   7           HE       ARG   7  -4.620  -5.404  -4.532
   39   HH11  ARG   7          1HH2      ARG   7  -1.975  -6.572  -2.626
   40   HH12  ARG   7          2HH2      ARG   7  -0.966  -6.880  -3.997
   41   HH21  ARG   7          1HH1      ARG   7  -3.310  -5.818  -6.314
   42   HH22  ARG   7          2HH1      ARG   7  -1.718  -6.461  -6.077
   43    H    CYS   8           H        CYS   8  -3.165  -0.484  -0.953
   44    HA   CYS   8           HA       CYS   8  -0.563  -0.489  -2.415
   45    HB2  CYS   8           2HB      CYS   8  -2.877   1.068  -2.506
   46    HB3  CYS   8           1HB      CYS   8  -1.720   2.081  -1.641
   47    H    ARG   9           H        ARG   9  -1.590  -0.724   0.719
   48    HA   ARG   9           HA       ARG   9  -0.273   1.213   2.248
   49    HB2  ARG   9           2HB      ARG   9  -0.174  -0.582   3.952
   50    HB3  ARG   9           1HB      ARG   9  -1.713  -0.616   3.089
   51    HG2  ARG   9           2HG      ARG   9  -1.249  -2.816   2.762
   52    HG3  ARG   9           1HG      ARG   9  -0.151  -2.233   1.511
   53    HD2  ARG   9           2HD      ARG   9   0.976  -3.804   3.106
   54    HD3  ARG   9           1HD      ARG   9   1.704  -2.186   3.143
   55    HE   ARG   9           HE       ARG   9   0.851  -1.917   5.329
   56   HH11  ARG   9          1HH2      ARG   9  -0.757  -4.455   3.626
   57   HH12  ARG   9          2HH2      ARG   9  -1.683  -4.962   4.998
   58   HH21  ARG   9          1HH1      ARG   9  -0.348  -2.575   7.126
   59   HH22  ARG   9          2HH1      ARG   9  -1.451  -3.902   6.975
   60    H    TYR  10           H        TYR  10   1.124  -1.353   0.313
   61    HA   TYR  10           HA       TYR  10   3.727  -1.398   1.568
   62    HB2  TYR  10           2HB      TYR  10   2.776  -2.127  -1.224
   63    HB3  TYR  10           1HB      TYR  10   4.313  -2.627  -0.510
   64    HD1  TYR  10           2HD      TYR  10   4.195  -3.866   1.773
   65    HD2  TYR  10           1HD      TYR  10   0.865  -3.438  -0.904
   66    HE1  TYR  10           2HE      TYR  10   3.069  -5.781   2.866
   67    HE2  TYR  10           1HE      TYR  10  -0.260  -5.353   0.189
   68    HH   TYR  10           HH       TYR  10  -0.131  -6.445   2.571
   69    H    ARG  11           H        ARG  11   3.740  -0.674  -1.844
   70    HA   ARG  11           HA       ARG  11   5.681   1.432  -1.541
   71    HB2  ARG  11           2HB      ARG  11   5.243   1.683  -3.999
   72    HB3  ARG  11           1HB      ARG  11   5.524   0.010  -3.519
   73    HG2  ARG  11           2HG      ARG  11   2.811   0.218  -3.187
   74    HG3  ARG  11           1HG      ARG  11   3.077   1.278  -4.570
   75    HD2  ARG  11           2HD      ARG  11   2.915  -0.727  -5.714
   76    HD3  ARG  11           1HD      ARG  11   4.639  -0.815  -5.304
   77    HE   ARG  11           HE       ARG  11   2.885  -1.815  -3.188
   78   HH11  ARG  11          1HH2      ARG  11   4.625  -2.512  -6.088
   79   HH12  ARG  11          2HH2      ARG  11   4.768  -4.203  -5.747
   80   HH21  ARG  11          1HH1      ARG  11   3.067  -4.015  -2.733
   81   HH22  ARG  11          2HH1      ARG  11   3.888  -5.054  -3.849
   82    H    CYS  12           H        CYS  12   4.691   3.023  -0.129
   83    HA   CYS  12           HA       CYS  12   2.175   4.311  -0.993
   84    HB2  CYS  12           2HB      CYS  12   3.742   3.961   1.403
   85    HB3  CYS  12           1HB      CYS  12   3.426   5.678   1.156
   86    H    ARG  13           H        ARG  13   2.876   5.322  -2.988
   87    HA   ARG  13           HA       ARG  13   4.070   7.956  -2.626
   88    HB2  ARG  13           2HB      ARG  13   5.994   7.334  -4.233
   89    HB3  ARG  13           1HB      ARG  13   6.122   6.748  -2.574
   90    HG2  ARG  13           2HG      ARG  13   5.227   4.567  -3.250
   91    HG3  ARG  13           1HG      ARG  13   5.024   5.146  -4.905
   92    HD2  ARG  13           2HD      ARG  13   7.738   5.330  -3.614
   93    HD3  ARG  13           1HD      ARG  13   7.191   3.784  -4.295
   94    HE   ARG  13           HE       ARG  13   6.738   6.077  -6.060
   95   HH11  ARG  13          1HH2      ARG  13   8.896   3.589  -5.015
   96   HH12  ARG  13          2HH2      ARG  13   9.784   3.560  -6.499
   97   HH21  ARG  13          1HH1      ARG  13   7.894   6.047  -7.998
   98   HH22  ARG  13          2HH1      ARG  13   9.220   4.948  -8.187
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1  -1.066   8.441  -4.139
    2    HA2  GLY   1           2HA      GLY   1  -2.810   8.852  -2.114
    3    HA3  GLY   1           1HA      GLY   1  -3.920   8.786  -3.484
    4    H    CYS   2           H        CYS   2  -2.170   6.917  -1.239
    5    HA   CYS   2           HA       CYS   2  -3.308   4.434  -2.280
    6    HB2  CYS   2           2HB      CYS   2  -0.756   5.382  -3.166
    7    HB3  CYS   2           1HB      CYS   2  -0.498   3.942  -2.177
    8    H    CYS   3           H        CYS   3  -0.822   5.883  -0.161
    9    HA   CYS   3           HA       CYS   3  -0.438   3.837   1.703
   10    HB2  CYS   3           2HB      CYS   3  -0.168   6.722   1.508
   11    HB3  CYS   3           1HB      CYS   3  -0.592   6.241   3.154
   12    H    SER   4           H        SER   4  -3.273   5.867   1.269
   13    HA   SER   4           HA       SER   4  -4.455   4.988   3.833
   14    HB2  SER   4           2HB      SER   4  -4.575   7.254   2.307
   15    HB3  SER   4           1HB      SER   4  -6.074   6.450   1.853
   16    HG   SER   4           HG       SER   4  -6.704   6.447   3.965
   17    H    ASP   5           H        ASP   5  -3.903   3.089   1.498
   18    HA   ASP   5           HA       ASP   5  -6.716   2.081   1.193
   19    HB2  ASP   5           2HB      ASP   5  -4.375   2.130  -0.738
   20    HB3  ASP   5           1HB      ASP   5  -5.864   1.227  -1.036
   21    H    VAL   6           H        VAL   6  -6.871  -0.285   1.071
   22    HA   VAL   6           HA       VAL   6  -5.020  -1.641   2.871
   23    HB   VAL   6           HB       VAL   6  -7.223  -2.754   1.107
   24   HG11  VAL   6          1HG1      VAL   6  -5.932  -4.518   2.097
   25   HG12  VAL   6          2HG1      VAL   6  -7.390  -4.360   3.078
   26   HG13  VAL   6          3HG1      VAL   6  -5.865  -3.682   3.650
   27   HG21  VAL   6          3HG2      VAL   6  -7.800  -0.733   2.625
   28   HG22  VAL   6          1HG2      VAL   6  -7.529  -1.841   3.970
   29   HG23  VAL   6          2HG2      VAL   6  -8.792  -2.181   2.787
   30    H    ARG   7           H        ARG   7  -5.756  -1.837  -0.623
   31    HA   ARG   7           HA       ARG   7  -3.821  -3.930  -1.156
   32    HB2  ARG   7           2HB      ARG   7  -4.380  -3.417  -3.477
   33    HB3  ARG   7           1HB      ARG   7  -5.859  -3.348  -2.511
   34    HG2  ARG   7           2HG      ARG   7  -4.728  -0.765  -2.374
   35    HG3  ARG   7           1HG      ARG   7  -4.613  -1.254  -4.066
   36    HD2  ARG   7           2HD      ARG   7  -7.153  -2.108  -3.383
   37    HD3  ARG   7           1HD      ARG   7  -7.001  -0.583  -2.489
   38    HE   ARG   7           HE       ARG   7  -5.962  -0.358  -5.190
   39   HH11  ARG   7          1HH2      ARG   7  -8.800  -0.365  -3.221
   40   HH12  ARG   7          2HH2      ARG   7  -9.721   0.604  -4.320
   41   HH21  ARG   7          1HH1      ARG   7  -7.157   0.904  -6.634
   42   HH22  ARG   7          2HH1      ARG   7  -8.794   1.319  -6.250
   43    H    CYS   8           H        CYS   8  -3.679  -0.451  -0.870
   44    HA   CYS   8           HA       CYS   8  -0.891  -0.428  -1.961
   45    HB2  CYS   8           2HB      CYS   8  -3.209   1.217  -2.224
   46    HB3  CYS   8           1HB      CYS   8  -1.987   2.156  -1.371
   47    H    ARG   9           H        ARG   9  -0.267  -1.435   0.214
   48    HA   ARG   9           HA       ARG   9  -0.397   0.481   2.492
   49    HB2  ARG   9           2HB      ARG   9   0.929  -2.127   2.877
   50    HB3  ARG   9           1HB      ARG   9  -0.350  -1.376   3.820
   51    HG2  ARG   9           2HG      ARG   9  -1.631  -3.045   2.950
   52    HG3  ARG   9           1HG      ARG   9  -1.710  -2.007   1.529
   53    HD2  ARG   9           2HD      ARG   9   0.232  -3.172   0.547
   54    HD3  ARG   9           1HD      ARG   9   0.352  -4.197   1.988
   55    HE   ARG   9           HE       ARG   9  -1.705  -4.402  -0.095
   56   HH11  ARG   9          1HH2      ARG   9  -0.786  -5.020   3.181
   57   HH12  ARG   9          2HH2      ARG   9  -1.886  -6.343   3.370
   58   HH21  ARG   9          1HH1      ARG   9  -3.138  -6.119   0.148
   59   HH22  ARG   9          2HH1      ARG   9  -3.216  -6.964   1.658
   60    H    TYR  10           H        TYR  10   1.960  -1.391   0.584
   61    HA   TYR  10           HA       TYR  10   4.242  -0.133   1.936
   62    HB2  TYR  10           2HB      TYR  10   3.717  -2.186  -0.176
   63    HB3  TYR  10           1HB      TYR  10   5.325  -1.456  -0.115
   64    HD1  TYR  10           2HD      TYR  10   2.825  -2.458   2.497
   65    HD2  TYR  10           1HD      TYR  10   6.822  -2.859   0.982
   66    HE1  TYR  10           2HE      TYR  10   3.404  -3.923   4.406
   67    HE2  TYR  10           1HE      TYR  10   7.399  -4.325   2.891
   68    HH   TYR  10           HH       TYR  10   5.597  -4.550   5.647
   69    H    ARG  11           H        ARG  11   4.490  -0.460  -1.509
   70    HA   ARG  11           HA       ARG  11   5.481   2.150  -1.953
   71    HB2  ARG  11           2HB      ARG  11   3.976   0.343  -3.873
   72    HB3  ARG  11           1HB      ARG  11   5.166   1.573  -4.304
   73    HG2  ARG  11           2HG      ARG  11   6.896   0.189  -3.860
   74    HG3  ARG  11           1HG      ARG  11   6.192  -0.312  -2.321
   75    HD2  ARG  11           2HD      ARG  11   4.797  -1.346  -4.725
   76    HD3  ARG  11           1HD      ARG  11   6.429  -1.991  -4.452
   77    HE   ARG  11           HE       ARG  11   5.340  -2.084  -1.938
   78   HH11  ARG  11          1HH2      ARG  11   4.280  -3.116  -5.058
   79   HH12  ARG  11          2HH2      ARG  11   3.332  -4.427  -4.444
   80   HH21  ARG  11          1HH1      ARG  11   4.107  -3.790  -1.127
   81   HH22  ARG  11          2HH1      ARG  11   3.234  -4.809  -2.223
   82    H    CYS  12           H        CYS  12   4.203   3.858  -1.195
   83    HA   CYS  12           HA       CYS  12   1.321   3.948  -1.847
   84    HB2  CYS  12           2HB      CYS  12   3.231   5.733  -0.310
   85    HB3  CYS  12           1HB      CYS  12   1.503   6.055  -0.464
   86    H    ARG  13           H        ARG  13   1.469   4.207  -4.185
   87    HA   ARG  13           HA       ARG  13   2.019   7.011  -4.989
   88    HB2  ARG  13           2HB      ARG  13   3.359   6.003  -6.956
   89    HB3  ARG  13           1HB      ARG  13   4.146   6.021  -5.378
   90    HG2  ARG  13           2HG      ARG  13   3.844   3.724  -5.054
   91    HG3  ARG  13           1HG      ARG  13   2.511   3.638  -6.205
   92    HD2  ARG  13           2HD      ARG  13   4.765   2.669  -6.997
   93    HD3  ARG  13           1HD      ARG  13   4.004   3.851  -8.082
   94    HE   ARG  13           HE       ARG  13   5.688   5.157  -6.121
   95   HH11  ARG  13          1HH2      ARG  13   5.656   3.365  -9.073
   96   HH12  ARG  13          2HH2      ARG  13   7.130   4.059  -9.661
   97   HH21  ARG  13          1HH1      ARG  13   7.613   6.068  -6.878
   98   HH22  ARG  13          2HH1      ARG  13   8.236   5.587  -8.420
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  -1.436   8.324  -3.426
    2    HA2  GLY   1           2HA      GLY   1  -3.466   8.691  -1.680
    3    HA3  GLY   1           1HA      GLY   1  -4.371   8.489  -3.182
    4    H    CYS   2           H        CYS   2  -1.730   6.885  -1.367
    5    HA   CYS   2           HA       CYS   2  -2.846   4.267  -2.316
    6    HB2  CYS   2           2HB      CYS   2  -0.202   5.467  -2.226
    7    HB3  CYS   2           1HB      CYS   2  -0.224   3.938  -1.344
    8    H    CYS   3           H        CYS   3  -0.743   5.359   0.361
    9    HA   CYS   3           HA       CYS   3  -1.127   3.460   2.261
   10    HB2  CYS   3           2HB      CYS   3  -0.966   6.443   2.340
   11    HB3  CYS   3           1HB      CYS   3  -1.222   5.576   3.856
   12    H    SER   4           H        SER   4  -3.523   6.009   1.548
   13    HA   SER   4           HA       SER   4  -5.392   5.483   3.584
   14    HB2  SER   4           2HB      SER   4  -5.177   6.920   1.191
   15    HB3  SER   4           1HB      SER   4  -6.641   5.959   1.018
   16    HG   SER   4           HG       SER   4  -6.917   6.779   3.361
   17    H    ASP   5           H        ASP   5  -4.713   3.689   0.632
   18    HA   ASP   5           HA       ASP   5  -7.045   1.906   0.966
   19    HB2  ASP   5           2HB      ASP   5  -4.779   2.289  -0.982
   20    HB3  ASP   5           1HB      ASP   5  -5.760   0.819  -1.037
   21    H    VAL   6           H        VAL   6  -6.492  -0.547   0.852
   22    HA   VAL   6           HA       VAL   6  -4.477  -1.109   2.962
   23    HB   VAL   6           HB       VAL   6  -6.904  -1.903   2.966
   24   HG11  VAL   6          1HG1      VAL   6  -7.564  -3.653   1.504
   25   HG12  VAL   6          2HG1      VAL   6  -5.906  -3.955   0.985
   26   HG13  VAL   6          3HG1      VAL   6  -6.742  -2.495   0.459
   27   HG21  VAL   6          3HG2      VAL   6  -6.299  -3.761   4.193
   28   HG22  VAL   6          1HG2      VAL   6  -4.711  -3.009   4.051
   29   HG23  VAL   6          2HG2      VAL   6  -5.162  -4.327   2.970
   30    H    ARG   7           H        ARG   7  -5.050  -1.600  -0.461
   31    HA   ARG   7           HA       ARG   7  -2.921  -3.633  -0.696
   32    HB2  ARG   7           2HB      ARG   7  -4.711  -2.200  -2.685
   33    HB3  ARG   7           1HB      ARG   7  -3.619  -3.527  -3.096
   34    HG2  ARG   7           2HG      ARG   7  -4.821  -5.072  -1.725
   35    HG3  ARG   7           1HG      ARG   7  -5.734  -3.779  -0.948
   36    HD2  ARG   7           2HD      ARG   7  -5.938  -4.092  -3.932
   37    HD3  ARG   7           1HD      ARG   7  -6.867  -5.179  -2.880
   38    HE   ARG   7           HE       ARG   7  -7.050  -2.362  -2.107
   39   HH11  ARG   7          1HH2      ARG   7  -8.312  -4.942  -4.032
   40   HH12  ARG   7          2HH2      ARG   7  -9.877  -4.221  -4.199
   41   HH21  ARG   7          1HH1      ARG   7  -9.087  -1.413  -2.329
   42   HH22  ARG   7          2HH1      ARG   7 -10.315  -2.228  -3.239
   43    H    CYS   8           H        CYS   8  -2.954  -0.284  -0.446
   44    HA   CYS   8           HA       CYS   8  -0.675   0.104  -2.324
   45    HB2  CYS   8           2HB      CYS   8  -2.902   1.647  -1.218
   46    HB3  CYS   8           1HB      CYS   8  -1.373   2.501  -1.122
   47    H    ARG   9           H        ARG   9  -1.534  -0.059   1.050
   48    HA   ARG   9           HA       ARG   9   0.330   1.340   2.482
   49    HB2  ARG   9           2HB      ARG   9   0.240  -0.538   4.078
   50    HB3  ARG   9           1HB      ARG   9  -1.346  -0.258   3.361
   51    HG2  ARG   9           2HG      ARG   9  -1.341  -2.454   2.828
   52    HG3  ARG   9           1HG      ARG   9  -0.150  -2.043   1.596
   53    HD2  ARG   9           2HD      ARG   9   0.656  -3.888   3.070
   54    HD3  ARG   9           1HD      ARG   9   1.675  -2.444   3.233
   55    HE   ARG   9           HE       ARG   9  -0.600  -2.519   5.081
   56   HH11  ARG   9          1HH2      ARG   9   2.700  -3.357   4.480
   57   HH12  ARG   9          2HH2      ARG   9   3.117  -3.433   6.159
   58   HH21  ARG   9          1HH1      ARG   9  -0.062  -2.616   7.267
   59   HH22  ARG   9          2HH1      ARG   9   1.557  -3.016   7.734
   60    H    TYR  10           H        TYR  10   1.025  -1.378   0.354
   61    HA   TYR  10           HA       TYR  10   3.696  -1.935   1.275
   62    HB2  TYR  10           2HB      TYR  10   1.982  -2.451  -1.124
   63    HB3  TYR  10           1HB      TYR  10   3.716  -2.766  -1.262
   64    HD1  TYR  10           2HD      TYR  10   4.713  -3.937   0.975
   65    HD2  TYR  10           1HD      TYR  10   0.683  -4.266  -0.471
   66    HE1  TYR  10           2HE      TYR  10   4.443  -6.064   2.210
   67    HE2  TYR  10           1HE      TYR  10   0.413  -6.396   0.766
   68    HH   TYR  10           HH       TYR  10   3.134  -7.847   2.537
   69    H    ARG  11           H        ARG  11   3.128  -0.769  -2.005
   70    HA   ARG  11           HA       ARG  11   5.503   0.977  -1.787
   71    HB2  ARG  11           2HB      ARG  11   3.686   0.486  -4.158
   72    HB3  ARG  11           1HB      ARG  11   5.384   0.965  -4.180
   73    HG2  ARG  11           2HG      ARG  11   4.380  -1.672  -3.068
   74    HG3  ARG  11           1HG      ARG  11   5.023  -1.467  -4.698
   75    HD2  ARG  11           2HD      ARG  11   7.105  -1.762  -3.854
   76    HD3  ARG  11           1HD      ARG  11   6.896  -0.264  -2.922
   77    HE   ARG  11           HE       ARG  11   5.471  -2.073  -1.436
   78   HH11  ARG  11          1HH2      ARG  11   8.632  -2.083  -2.833
   79   HH12  ARG  11          2HH2      ARG  11   9.315  -3.079  -1.593
   80   HH21  ARG  11          1HH1      ARG  11   6.357  -3.369   0.187
   81   HH22  ARG  11          2HH1      ARG  11   8.032  -3.807   0.112
   82    H    CYS  12           H        CYS  12   3.910   2.275  -0.177
   83    HA   CYS  12           HA       CYS  12   1.791   3.875  -1.212
   84    HB2  CYS  12           2HB      CYS  12   3.588   3.769   1.130
   85    HB3  CYS  12           1HB      CYS  12   2.932   5.370   0.790
   86    H    ARG  13           H        ARG  13   2.694   4.549  -3.348
   87    HA   ARG  13           HA       ARG  13   3.862   7.217  -3.216
   88    HB2  ARG  13           2HB      ARG  13   5.953   6.575  -4.408
   89    HB3  ARG  13           1HB      ARG  13   5.842   5.819  -2.819
   90    HG2  ARG  13           2HG      ARG  13   5.751   3.736  -3.699
   91    HG3  ARG  13           1HG      ARG  13   4.587   4.222  -4.931
   92    HD2  ARG  13           2HD      ARG  13   6.764   3.506  -5.932
   93    HD3  ARG  13           1HD      ARG  13   6.410   5.211  -6.279
   94    HE   ARG  13           HE       ARG  13   8.189   5.825  -4.840
   95   HH11  ARG  13          1HH2      ARG  13   7.240   2.531  -4.400
   96   HH12  ARG  13          2HH2      ARG  13   8.553   2.162  -3.332
   97   HH21  ARG  13          1HH1      ARG  13   9.905   5.353  -3.457
   98   HH22  ARG  13          2HH1      ARG  13  10.059   3.759  -2.798
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  -6.239   7.017  -2.651
    2    HA2  GLY   1           2HA      GLY   1  -4.523   7.708  -4.392
    3    HA3  GLY   1           1HA      GLY   1  -3.547   8.267  -3.032
    4    H    CYS   2           H        CYS   2  -3.183   6.466  -1.306
    5    HA   CYS   2           HA       CYS   2  -3.136   3.716  -2.359
    6    HB2  CYS   2           2HB      CYS   2  -0.886   5.604  -2.523
    7    HB3  CYS   2           1HB      CYS   2  -0.462   4.075  -1.745
    8    H    CYS   3           H        CYS   3  -1.261   5.639   0.017
    9    HA   CYS   3           HA       CYS   3  -1.065   3.750   2.058
   10    HB2  CYS   3           2HB      CYS   3  -0.574   6.467   1.650
   11    HB3  CYS   3           1HB      CYS   3  -1.666   6.434   3.038
   12    H    SER   4           H        SER   4  -3.706   6.113   1.606
   13    HA   SER   4           HA       SER   4  -5.288   5.323   3.833
   14    HB2  SER   4           2HB      SER   4  -5.325   7.135   1.732
   15    HB3  SER   4           1HB      SER   4  -6.768   6.162   1.466
   16    HG   SER   4           HG       SER   4  -7.146   7.931   2.883
   17    H    ASP   5           H        ASP   5  -4.722   3.752   0.787
   18    HA   ASP   5           HA       ASP   5  -7.187   2.140   0.877
   19    HB2  ASP   5           2HB      ASP   5  -4.689   2.179  -0.844
   20    HB3  ASP   5           1HB      ASP   5  -6.038   1.070  -1.119
   21    H    VAL   6           H        VAL   6  -6.880  -0.329   0.732
   22    HA   VAL   6           HA       VAL   6  -5.075  -1.181   2.932
   23    HB   VAL   6           HB       VAL   6  -6.603  -3.043   3.060
   24   HG11  VAL   6          1HG1      VAL   6  -8.105  -0.499   2.384
   25   HG12  VAL   6          2HG1      VAL   6  -7.454  -0.923   3.966
   26   HG13  VAL   6          3HG1      VAL   6  -8.775  -1.866   3.276
   27   HG21  VAL   6          3HG2      VAL   6  -7.689  -2.032   0.417
   28   HG22  VAL   6          1HG2      VAL   6  -8.374  -3.362   1.351
   29   HG23  VAL   6          2HG2      VAL   6  -6.761  -3.513   0.653
   30    H    ARG   7           H        ARG   7  -4.882  -0.989  -0.384
   31    HA   ARG   7           HA       ARG   7  -3.372  -3.569  -0.610
   32    HB2  ARG   7           2HB      ARG   7  -5.050  -1.895  -2.447
   33    HB3  ARG   7           1HB      ARG   7  -3.779  -2.904  -3.145
   34    HG2  ARG   7           2HG      ARG   7  -5.281  -4.375  -1.144
   35    HG3  ARG   7           1HG      ARG   7  -6.352  -3.737  -2.392
   36    HD2  ARG   7           2HD      ARG   7  -5.466  -5.983  -3.011
   37    HD3  ARG   7           1HD      ARG   7  -4.902  -4.738  -4.142
   38    HE   ARG   7           HE       ARG   7  -3.049  -4.892  -1.979
   39   HH11  ARG   7          1HH2      ARG   7  -4.216  -6.699  -4.683
   40   HH12  ARG   7          2HH2      ARG   7  -2.727  -7.548  -4.922
   41   HH21  ARG   7          1HH1      ARG   7  -1.104  -5.998  -2.283
   42   HH22  ARG   7          2HH1      ARG   7  -0.969  -7.153  -3.566
   43    H    CYS   8           H        CYS   8  -3.107  -0.104  -0.740
   44    HA   CYS   8           HA       CYS   8  -0.446  -0.267  -2.078
   45    HB2  CYS   8           2HB      CYS   8  -2.648   1.515  -2.107
   46    HB3  CYS   8           1HB      CYS   8  -1.323   2.383  -1.331
   47    H    ARG   9           H        ARG   9  -0.429  -1.389   0.473
   48    HA   ARG   9           HA       ARG   9   0.336   0.609   2.483
   49    HB2  ARG   9           2HB      ARG   9   0.899  -2.347   2.637
   50    HB3  ARG   9           1HB      ARG   9   0.397  -1.249   3.921
   51    HG2  ARG   9           2HG      ARG   9  -1.689  -2.062   3.594
   52    HG3  ARG   9           1HG      ARG   9  -1.703  -1.102   2.115
   53    HD2  ARG   9           2HD      ARG   9  -2.132  -3.173   1.172
   54    HD3  ARG   9           1HD      ARG   9  -0.361  -3.281   1.219
   55    HE   ARG   9           HE       ARG   9  -1.518  -4.075   3.748
   56   HH11  ARG   9          1HH2      ARG   9  -0.906  -5.070   0.497
   57   HH12  ARG   9          2HH2      ARG   9  -0.818  -6.753   0.893
   58   HH21  ARG   9          1HH1      ARG   9  -1.403  -6.265   4.275
   59   HH22  ARG   9          2HH1      ARG   9  -1.097  -7.429   3.030
   60    H    TYR  10           H        TYR  10   1.984  -1.781   0.421
   61    HA   TYR  10           HA       TYR  10   4.645  -1.070   1.443
   62    HB2  TYR  10           2HB      TYR  10   3.535  -2.825  -0.763
   63    HB3  TYR  10           1HB      TYR  10   5.271  -2.649  -0.482
   64    HD1  TYR  10           2HD      TYR  10   6.318  -3.524   1.542
   65    HD2  TYR  10           1HD      TYR  10   2.102  -3.953   0.851
   66    HE1  TYR  10           2HE      TYR  10   6.193  -5.210   3.352
   67    HE2  TYR  10           1HE      TYR  10   1.976  -5.642   2.659
   68    HH   TYR  10           HH       TYR  10   3.112  -6.479   4.476
   69    H    ARG  11           H        ARG  11   2.520  -0.080  -1.133
   70    HA   ARG  11           HA       ARG  11   4.615   1.132  -2.787
   71    HB2  ARG  11           2HB      ARG  11   1.638   0.849  -2.745
   72    HB3  ARG  11           1HB      ARG  11   2.323   2.140  -3.732
   73    HG2  ARG  11           2HG      ARG  11   2.715   0.598  -5.329
   74    HG3  ARG  11           1HG      ARG  11   3.926  -0.104  -4.257
   75    HD2  ARG  11           2HD      ARG  11   1.353  -0.975  -3.348
   76    HD3  ARG  11           1HD      ARG  11   1.460  -1.277  -5.094
   77    HE   ARG  11           HE       ARG  11   3.917  -1.986  -3.711
   78   HH11  ARG  11          1HH2      ARG  11   0.710  -2.983  -4.521
   79   HH12  ARG  11          2HH2      ARG  11   1.079  -4.672  -4.444
   80   HH21  ARG  11          1HH1      ARG  11   4.406  -4.189  -3.610
   81   HH22  ARG  11          2HH1      ARG  11   3.166  -5.354  -3.931
   82    H    CYS  12           H        CYS  12   2.542   2.115  -0.142
   83    HA   CYS  12           HA       CYS  12   2.675   4.968  -0.573
   84    HB2  CYS  12           2HB      CYS  12   0.956   4.018   0.803
   85    HB3  CYS  12           1HB      CYS  12   2.135   3.164   1.798
   86    H    ARG  13           H        ARG  13   4.029   3.424   2.307
   87    HA   ARG  13           HA       ARG  13   6.005   3.966   3.506
   88    HB2  ARG  13           2HB      ARG  13   6.882   3.754   0.610
   89    HB3  ARG  13           1HB      ARG  13   8.005   3.774   1.969
   90    HG2  ARG  13           2HG      ARG  13   5.726   1.796   1.806
   91    HG3  ARG  13           1HG      ARG  13   7.309   1.463   1.101
   92    HD2  ARG  13           2HD      ARG  13   8.258   2.096   3.439
   93    HD3  ARG  13           1HD      ARG  13   6.595   1.851   4.010
   94    HE   ARG  13           HE       ARG  13   7.526  -0.311   2.289
   95   HH11  ARG  13          1HH2      ARG  13   7.439   0.998   5.484
   96   HH12  ARG  13          2HH2      ARG  13   7.668  -0.535   6.257
   97   HH21  ARG  13          1HH1      ARG  13   7.826  -2.316   3.288
   98   HH22  ARG  13          2HH1      ARG  13   7.886  -2.407   5.017
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1  -1.113  10.328  -2.511
    2    HA2  GLY   1           2HA      GLY   1  -1.860   9.458  -0.453
    3    HA3  GLY   1           1HA      GLY   1  -3.419  10.113  -0.959
    4    H    CYS   2           H        CYS   2  -1.342   7.307  -1.767
    5    HA   CYS   2           HA       CYS   2  -3.736   5.668  -2.325
    6    HB2  CYS   2           2HB      CYS   2  -1.618   5.684  -3.686
    7    HB3  CYS   2           1HB      CYS   2  -0.780   4.977  -2.301
    8    H    CYS   3           H        CYS   3  -1.339   6.095   0.212
    9    HA   CYS   3           HA       CYS   3  -1.512   3.681   1.632
   10    HB2  CYS   3           2HB      CYS   3  -0.797   6.468   2.074
   11    HB3  CYS   3           1HB      CYS   3  -1.482   5.744   3.532
   12    H    SER   4           H        SER   4  -3.840   6.320   1.450
   13    HA   SER   4           HA       SER   4  -5.506   5.838   3.637
   14    HB2  SER   4           2HB      SER   4  -5.500   7.331   1.331
   15    HB3  SER   4           1HB      SER   4  -6.890   6.279   1.086
   16    HG   SER   4           HG       SER   4  -6.451   7.626   3.529
   17    H    ASP   5           H        ASP   5  -5.044   3.849   0.793
   18    HA   ASP   5           HA       ASP   5  -7.436   2.199   1.423
   19    HB2  ASP   5           2HB      ASP   5  -5.393   2.274  -0.817
   20    HB3  ASP   5           1HB      ASP   5  -6.693   1.078  -0.733
   21    H    VAL   6           H        VAL   6  -6.644  -0.312   0.758
   22    HA   VAL   6           HA       VAL   6  -4.596  -0.958   2.845
   23    HB   VAL   6           HB       VAL   6  -6.851  -2.552   1.583
   24   HG11  VAL   6          1HG1      VAL   6  -6.112  -4.403   2.675
   25   HG12  VAL   6          2HG1      VAL   6  -5.620  -3.481   4.095
   26   HG13  VAL   6          3HG1      VAL   6  -4.557  -3.571   2.691
   27   HG21  VAL   6          3HG2      VAL   6  -7.096  -2.210   4.405
   28   HG22  VAL   6          1HG2      VAL   6  -8.150  -1.576   3.142
   29   HG23  VAL   6          2HG2      VAL   6  -6.775  -0.625   3.704
   30    H    ARG   7           H        ARG   7  -5.578  -1.591  -0.500
   31    HA   ARG   7           HA       ARG   7  -3.729  -3.627  -1.182
   32    HB2  ARG   7           2HB      ARG   7  -5.059  -1.348  -2.655
   33    HB3  ARG   7           1HB      ARG   7  -4.017  -2.499  -3.499
   34    HG2  ARG   7           2HG      ARG   7  -5.787  -3.993  -1.830
   35    HG3  ARG   7           1HG      ARG   7  -6.757  -2.825  -2.729
   36    HD2  ARG   7           2HD      ARG   7  -6.527  -4.889  -4.049
   37    HD3  ARG   7           1HD      ARG   7  -5.613  -3.589  -4.840
   38    HE   ARG   7           HE       ARG   7  -3.610  -4.705  -4.253
   39   HH11  ARG   7          1HH2      ARG   7  -6.326  -5.883  -2.471
   40   HH12  ARG   7          2HH2      ARG   7  -5.440  -7.174  -1.729
   41   HH21  ARG   7          1HH1      ARG   7  -2.450  -6.385  -3.292
   42   HH22  ARG   7          2HH1      ARG   7  -3.251  -7.459  -2.195
   43    H    CYS   8           H        CYS   8  -3.193  -0.304  -0.411
   44    HA   CYS   8           HA       CYS   8  -0.545  -0.258  -1.767
   45    HB2  CYS   8           2HB      CYS   8  -2.619   1.588  -1.110
   46    HB3  CYS   8           1HB      CYS   8  -1.168   2.088  -0.245
   47    H    ARG   9           H        ARG   9   0.148  -2.004  -0.101
   48    HA   ARG   9           HA       ARG   9   0.502  -1.125   2.676
   49    HB2  ARG   9           2HB      ARG   9   1.911  -3.433   1.339
   50    HB3  ARG   9           1HB      ARG   9   1.306  -3.321   2.990
   51    HG2  ARG   9           2HG      ARG   9  -0.538  -4.410   2.289
   52    HG3  ARG   9           1HG      ARG   9  -0.958  -2.961   1.374
   53    HD2  ARG   9           2HD      ARG   9  -0.917  -4.584  -0.323
   54    HD3  ARG   9           1HD      ARG   9   0.751  -3.976  -0.393
   55    HE   ARG   9           HE       ARG   9   0.717  -5.994   1.577
   56   HH11  ARG   9          1HH2      ARG   9   0.125  -5.630  -1.808
   57   HH12  ARG   9          2HH2      ARG   9   0.638  -7.236  -2.200
   58   HH21  ARG   9          1HH1      ARG   9   1.384  -8.088   1.075
   59   HH22  ARG   9          2HH1      ARG   9   1.352  -8.625  -0.571
   60    H    TYR  10           H        TYR  10   2.720  -1.910  -0.023
   61    HA   TYR  10           HA       TYR  10   5.048  -0.788   1.319
   62    HB2  TYR  10           2HB      TYR  10   4.454  -1.608  -1.546
   63    HB3  TYR  10           1HB      TYR  10   6.069  -1.267  -0.914
   64    HD1  TYR  10           2HD      TYR  10   3.181  -3.561  -0.771
   65    HD2  TYR  10           1HD      TYR  10   7.188  -2.811   0.577
   66    HE1  TYR  10           2HE      TYR  10   3.332  -5.886   0.068
   67    HE2  TYR  10           1HE      TYR  10   7.341  -5.137   1.415
   68    HH   TYR  10           HH       TYR  10   4.941  -7.523   0.662
   69    H    ARG  11           H        ARG  11   6.153   0.619  -0.936
   70    HA   ARG  11           HA       ARG  11   5.678   3.276  -0.512
   71    HB2  ARG  11           2HB      ARG  11   5.985   3.361  -3.189
   72    HB3  ARG  11           1HB      ARG  11   7.307   2.973  -2.098
   73    HG2  ARG  11           2HG      ARG  11   7.044   1.400  -4.058
   74    HG3  ARG  11           1HG      ARG  11   7.042   0.611  -2.489
   75    HD2  ARG  11           2HD      ARG  11   4.416   0.906  -2.670
   76    HD3  ARG  11           1HD      ARG  11   4.763   1.029  -4.403
   77    HE   ARG  11           HE       ARG  11   6.224  -1.167  -3.256
   78   HH11  ARG  11          1HH2      ARG  11   3.077  -0.120  -4.226
   79   HH12  ARG  11          2HH2      ARG  11   2.503  -1.723  -4.546
   80   HH21  ARG  11          1HH1      ARG  11   5.481  -3.260  -3.664
   81   HH22  ARG  11          2HH1      ARG  11   3.861  -3.498  -4.228
   82    H    CYS  12           H        CYS  12   3.441   3.672   0.033
   83    HA   CYS  12           HA       CYS  12   1.367   3.224  -2.019
   84    HB2  CYS  12           2HB      CYS  12  -0.083   4.142  -0.222
   85    HB3  CYS  12           1HB      CYS  12   0.957   2.853   0.383
   86    H    ARG  13           H        ARG  13   2.523   4.727  -3.591
   87    HA   ARG  13           HA       ARG  13   2.121   7.618  -2.928
   88    HB2  ARG  13           2HB      ARG  13   3.704   6.259  -5.133
   89    HB3  ARG  13           1HB      ARG  13   3.755   7.973  -4.721
   90    HG2  ARG  13           2HG      ARG  13   4.257   6.160  -2.448
   91    HG3  ARG  13           1HG      ARG  13   5.481   6.098  -3.718
   92    HD2  ARG  13           2HD      ARG  13   4.590   8.828  -2.964
   93    HD3  ARG  13           1HD      ARG  13   5.518   7.953  -1.729
   94    HE   ARG  13           HE       ARG  13   6.660   7.709  -4.406
   95   HH11  ARG  13          1HH2      ARG  13   6.451   9.580  -1.510
   96   HH12  ARG  13          2HH2      ARG  13   7.996  10.330  -1.731
   97   HH21  ARG  13          1HH1      ARG  13   8.676   8.681  -4.702
   98   HH22  ARG  13          2HH1      ARG  13   9.254   9.823  -3.535
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  -6.443   8.037  -2.786
    2    HA2  GLY   1           2HA      GLY   1  -3.726   7.971  -3.158
    3    HA3  GLY   1           1HA      GLY   1  -4.430   7.900  -1.543
    4    H    CYS   2           H        CYS   2  -2.129   6.607  -1.675
    5    HA   CYS   2           HA       CYS   2  -2.707   3.738  -2.272
    6    HB2  CYS   2           2HB      CYS   2  -0.761   4.756  -3.342
    7    HB3  CYS   2           1HB      CYS   2  -0.158   5.309  -1.777
    8    H    CYS   3           H        CYS   3  -0.579   5.324   0.127
    9    HA   CYS   3           HA       CYS   3  -0.679   3.366   2.116
   10    HB2  CYS   3           2HB      CYS   3   0.249   5.992   1.772
   11    HB3  CYS   3           1HB      CYS   3  -0.763   6.054   3.219
   12    H    SER   4           H        SER   4  -3.131   5.717   1.265
   13    HA   SER   4           HA       SER   4  -4.680   5.340   3.729
   14    HB2  SER   4           2HB      SER   4  -4.419   7.259   1.790
   15    HB3  SER   4           1HB      SER   4  -5.947   6.507   1.344
   16    HG   SER   4           HG       SER   4  -6.441   6.736   3.685
   17    H    ASP   5           H        ASP   5  -4.154   3.351   1.147
   18    HA   ASP   5           HA       ASP   5  -6.980   2.389   0.992
   19    HB2  ASP   5           2HB      ASP   5  -4.488   2.073  -0.694
   20    HB3  ASP   5           1HB      ASP   5  -5.927   1.083  -0.964
   21    H    VAL   6           H        VAL   6  -6.560  -0.245   0.323
   22    HA   VAL   6           HA       VAL   6  -5.309  -1.369   2.801
   23    HB   VAL   6           HB       VAL   6  -6.918  -3.313   2.113
   24   HG11  VAL   6          1HG1      VAL   6  -8.588  -2.411   3.502
   25   HG12  VAL   6          2HG1      VAL   6  -8.314  -0.769   2.920
   26   HG13  VAL   6          3HG1      VAL   6  -7.139  -1.531   3.992
   27   HG21  VAL   6          3HG2      VAL   6  -7.345  -2.279  -0.161
   28   HG22  VAL   6          1HG2      VAL   6  -8.256  -1.015   0.664
   29   HG23  VAL   6          2HG2      VAL   6  -8.801  -2.690   0.746
   30    H    ARG   7           H        ARG   7  -5.581  -1.668  -0.710
   31    HA   ARG   7           HA       ARG   7  -3.633  -3.920  -0.733
   32    HB2  ARG   7           2HB      ARG   7  -5.358  -2.557  -2.827
   33    HB3  ARG   7           1HB      ARG   7  -4.279  -3.914  -3.175
   34    HG2  ARG   7           2HG      ARG   7  -5.846  -4.590  -0.878
   35    HG3  ARG   7           1HG      ARG   7  -6.939  -4.004  -2.133
   36    HD2  ARG   7           2HD      ARG   7  -6.678  -6.376  -2.510
   37    HD3  ARG   7           1HD      ARG   7  -5.693  -5.571  -3.745
   38    HE   ARG   7           HE       ARG   7  -3.743  -6.321  -2.624
   39   HH11  ARG   7          1HH2      ARG   7  -6.582  -6.661  -0.681
   40   HH12  ARG   7          2HH2      ARG   7  -5.779  -7.563   0.559
   41   HH21  ARG   7          1HH1      ARG   7  -2.690  -7.497  -1.012
   42   HH22  ARG   7          2HH1      ARG   7  -3.578  -8.033   0.374
   43    H    CYS   8           H        CYS   8  -3.115  -0.919  -0.166
   44    HA   CYS   8           HA       CYS   8  -0.717  -0.702  -1.919
   45    HB2  CYS   8           2HB      CYS   8  -2.911   0.497  -2.758
   46    HB3  CYS   8           1HB      CYS   8  -2.518   1.670  -1.501
   47    H    ARG   9           H        ARG   9  -0.215  -1.386   0.527
   48    HA   ARG   9           HA       ARG   9  -0.074   1.001   2.305
   49    HB2  ARG   9           2HB      ARG   9   0.864  -1.699   3.158
   50    HB3  ARG   9           1HB      ARG   9  -0.104  -0.522   4.040
   51    HG2  ARG   9           2HG      ARG   9  -1.791  -2.007   3.616
   52    HG3  ARG   9           1HG      ARG   9  -1.846  -1.176   2.061
   53    HD2  ARG   9           2HD      ARG   9  -1.052  -2.995   0.943
   54    HD3  ARG   9           1HD      ARG   9   0.183  -3.315   2.178
   55    HE   ARG   9           HE       ARG   9  -2.454  -4.519   2.089
   56   HH11  ARG   9          1HH2      ARG   9   0.045  -3.302   4.141
   57   HH12  ARG   9          2HH2      ARG   9  -0.392  -4.306   5.481
   58   HH21  ARG   9          1HH1      ARG   9  -3.027  -5.835   3.830
   59   HH22  ARG   9          2HH1      ARG   9  -2.129  -5.737   5.307
   60    H    TYR  10           H        TYR  10   1.941  -1.177   0.441
   61    HA   TYR  10           HA       TYR  10   4.429  -0.237   1.736
   62    HB2  TYR  10           2HB      TYR  10   3.709  -2.195  -0.457
   63    HB3  TYR  10           1HB      TYR  10   5.382  -1.855  -0.001
   64    HD1  TYR  10           2HD      TYR  10   2.172  -3.303   1.098
   65    HD2  TYR  10           1HD      TYR  10   6.276  -2.583   2.138
   66    HE1  TYR  10           2HE      TYR  10   1.976  -4.902   2.981
   67    HE2  TYR  10           1HE      TYR  10   6.079  -4.183   4.019
   68    HH   TYR  10           HH       TYR  10   3.286  -5.180   5.305
   69    H    ARG  11           H        ARG  11   2.843  -0.017  -1.460
   70    HA   ARG  11           HA       ARG  11   4.852   1.339  -2.895
   71    HB2  ARG  11           2HB      ARG  11   2.215   0.542  -3.230
   72    HB3  ARG  11           1HB      ARG  11   2.126   2.296  -3.384
   73    HG2  ARG  11           2HG      ARG  11   2.567   1.110  -5.559
   74    HG3  ARG  11           1HG      ARG  11   3.795   2.298  -5.131
   75    HD2  ARG  11           2HD      ARG  11   4.547  -0.097  -5.941
   76    HD3  ARG  11           1HD      ARG  11   5.375   0.638  -4.555
   77    HE   ARG  11           HE       ARG  11   4.369  -0.996  -3.178
   78   HH11  ARG  11          1HH2      ARG  11   2.692  -0.656  -6.179
   79   HH12  ARG  11          2HH2      ARG  11   1.589  -1.950  -5.855
   80   HH21  ARG  11          1HH1      ARG  11   2.937  -2.681  -2.747
   81   HH22  ARG  11          2HH1      ARG  11   1.727  -3.096  -3.915
   82    H    CYS  12           H        CYS  12   2.902   2.517  -0.264
   83    HA   CYS  12           HA       CYS  12   3.334   5.357  -0.955
   84    HB2  CYS  12           2HB      CYS  12   1.911   5.731   0.963
   85    HB3  CYS  12           1HB      CYS  12   1.241   4.369   0.066
   86    H    ARG  13           H        ARG  13   3.536   5.809   2.094
   87    HA   ARG  13           HA       ARG  13   6.485   5.873   2.174
   88    HB2  ARG  13           2HB      ARG  13   4.197   6.942   3.833
   89    HB3  ARG  13           1HB      ARG  13   5.865   7.066   4.393
   90    HG2  ARG  13           2HG      ARG  13   4.863   8.098   1.723
   91    HG3  ARG  13           1HG      ARG  13   5.126   9.098   3.152
   92    HD2  ARG  13           2HD      ARG  13   7.321   9.274   2.633
   93    HD3  ARG  13           1HD      ARG  13   7.482   7.507   2.691
   94    HE   ARG  13           HE       ARG  13   6.161   8.448   0.265
   95   HH11  ARG  13          1HH2      ARG  13   9.159   7.822   1.867
   96   HH12  ARG  13          2HH2      ARG  13  10.042   7.585   0.397
   97   HH21  ARG  13          1HH1      ARG  13   7.304   8.139  -1.656
   98   HH22  ARG  13          2HH1      ARG  13   8.995   7.764  -1.595
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  -1.226  10.358  -1.501
    2    HA2  GLY   1           2HA      GLY   1  -0.868   8.998  -3.475
    3    HA3  GLY   1           1HA      GLY   1   0.359   8.420  -2.346
    4    H    CYS   2           H        CYS   2  -0.159   6.510  -1.051
    5    HA   CYS   2           HA       CYS   2  -2.510   4.922  -1.970
    6    HB2  CYS   2           2HB      CYS   2   0.289   4.584  -2.716
    7    HB3  CYS   2           1HB      CYS   2  -0.353   3.133  -1.940
    8    H    CYS   3           H        CYS   3  -0.980   6.166   0.584
    9    HA   CYS   3           HA       CYS   3  -0.673   3.827   2.305
   10    HB2  CYS   3           2HB      CYS   3  -0.802   6.807   2.816
   11    HB3  CYS   3           1HB      CYS   3  -0.322   5.609   4.019
   12    H    SER   4           H        SER   4  -3.304   5.834   1.328
   13    HA   SER   4           HA       SER   4  -4.932   5.285   3.723
   14    HB2  SER   4           2HB      SER   4  -4.793   7.271   1.841
   15    HB3  SER   4           1HB      SER   4  -6.187   6.352   1.285
   16    HG   SER   4           HG       SER   4  -5.748   7.401   3.891
   17    H    ASP   5           H        ASP   5  -3.933   3.170   1.643
   18    HA   ASP   5           HA       ASP   5  -6.625   1.936   1.153
   19    HB2  ASP   5           2HB      ASP   5  -4.096   1.513  -0.462
   20    HB3  ASP   5           1HB      ASP   5  -5.756   1.118  -0.925
   21    H    VAL   6           H        VAL   6  -5.856  -0.604   0.496
   22    HA   VAL   6           HA       VAL   6  -4.299  -1.526   2.892
   23    HB   VAL   6           HB       VAL   6  -6.891  -1.842   2.671
   24   HG11  VAL   6          1HG1      VAL   6  -6.845  -2.699   0.358
   25   HG12  VAL   6          2HG1      VAL   6  -7.522  -3.897   1.460
   26   HG13  VAL   6          3HG1      VAL   6  -5.864  -4.068   0.881
   27   HG21  VAL   6          3HG2      VAL   6  -6.729  -4.016   3.822
   28   HG22  VAL   6          1HG2      VAL   6  -5.471  -2.915   4.389
   29   HG23  VAL   6          2HG2      VAL   6  -5.072  -4.201   3.249
   30    H    ARG   7           H        ARG   7  -4.912  -1.885  -0.552
   31    HA   ARG   7           HA       ARG   7  -2.878  -4.066  -0.732
   32    HB2  ARG   7           2HB      ARG   7  -5.306  -3.246  -2.138
   33    HB3  ARG   7           1HB      ARG   7  -3.968  -3.545  -3.253
   34    HG2  ARG   7           2HG      ARG   7  -3.983  -5.594  -1.234
   35    HG3  ARG   7           1HG      ARG   7  -5.593  -5.473  -1.947
   36    HD2  ARG   7           2HD      ARG   7  -4.379  -7.009  -3.342
   37    HD3  ARG   7           1HD      ARG   7  -4.393  -5.474  -4.235
   38    HE   ARG   7           HE       ARG   7  -2.132  -5.253  -2.677
   39   HH11  ARG   7          1HH2      ARG   7  -3.391  -7.659  -4.812
   40   HH12  ARG   7          2HH2      ARG   7  -1.831  -8.222  -5.306
   41   HH21  ARG   7          1HH1      ARG   7  -0.090  -5.982  -3.316
   42   HH22  ARG   7          2HH1      ARG   7   0.035  -7.276  -4.461
   43    H    CYS   8           H        CYS   8  -2.951  -0.755  -0.779
   44    HA   CYS   8           HA       CYS   8  -0.687  -0.602  -2.742
   45    HB2  CYS   8           2HB      CYS   8  -3.087   0.463  -3.153
   46    HB3  CYS   8           1HB      CYS   8  -2.458   1.729  -2.099
   47    H    ARG   9           H        ARG   9  -1.909   0.181   0.421
   48    HA   ARG   9           HA       ARG   9  -0.194   2.287   1.224
   49    HB2  ARG   9           2HB      ARG   9  -0.633   1.274   3.507
   50    HB3  ARG   9           1HB      ARG   9  -2.081   1.536   2.534
   51    HG2  ARG   9           2HG      ARG   9  -2.551  -0.645   2.908
   52    HG3  ARG   9           1HG      ARG   9  -1.256  -0.997   1.764
   53    HD2  ARG   9           2HD      ARG   9  -0.937  -2.211   3.922
   54    HD3  ARG   9           1HD      ARG   9   0.377  -1.054   3.629
   55    HE   ARG   9           HE       ARG   9  -0.417   0.210   5.459
   56   HH11  ARG   9          1HH2      ARG   9  -2.833  -1.936   4.237
   57   HH12  ARG   9          2HH2      ARG   9  -3.983  -1.549   5.472
   58   HH21  ARG   9          1HH1      ARG   9  -1.911   0.721   7.072
   59   HH22  ARG   9          2HH1      ARG   9  -3.461  -0.050   7.077
   60    H    TYR  10           H        TYR  10   0.434  -1.162   0.868
   61    HA   TYR  10           HA       TYR  10   2.724  -1.542   2.431
   62    HB2  TYR  10           2HB      TYR  10   1.838  -2.534  -0.281
   63    HB3  TYR  10           1HB      TYR  10   3.327  -3.125   0.464
   64    HD1  TYR  10           2HD      TYR  10   2.648  -3.199   3.305
   65    HD2  TYR  10           1HD      TYR  10   0.303  -4.294  -0.119
   66    HE1  TYR  10           2HE      TYR  10   1.345  -4.770   4.702
   67    HE2  TYR  10           1HE      TYR  10  -1.001  -5.868   1.279
   68    HH   TYR  10           HH       TYR  10  -0.024  -6.885   4.306
   69    H    ARG  11           H        ARG  11   2.934  -0.872  -1.074
   70    HA   ARG  11           HA       ARG  11   5.650   0.215  -0.734
   71    HB2  ARG  11           2HB      ARG  11   5.624   0.160  -3.169
   72    HB3  ARG  11           1HB      ARG  11   4.898  -1.332  -2.567
   73    HG2  ARG  11           2HG      ARG  11   2.673   0.140  -2.694
   74    HG3  ARG  11           1HG      ARG  11   3.605   0.994  -3.924
   75    HD2  ARG  11           2HD      ARG  11   2.239  -0.883  -4.882
   76    HD3  ARG  11           1HD      ARG  11   3.980  -1.125  -5.132
   77    HE   ARG  11           HE       ARG  11   3.035  -2.249  -2.613
   78   HH11  ARG  11          1HH2      ARG  11   3.401  -2.715  -6.016
   79   HH12  ARG  11          2HH2      ARG  11   3.463  -4.442  -5.902
   80   HH21  ARG  11          1HH1      ARG  11   3.118  -4.502  -2.455
   81   HH22  ARG  11          2HH1      ARG  11   3.303  -5.452  -3.892
   82    H    CYS  12           H        CYS  12   3.191   1.719   0.306
   83    HA   CYS  12           HA       CYS  12   3.125   4.091  -1.462
   84    HB2  CYS  12           2HB      CYS  12   1.209   4.649  -0.243
   85    HB3  CYS  12           1HB      CYS  12   1.201   2.895  -0.109
   86    H    ARG  13           H        ARG  13   5.490   3.114   0.367
   87    HA   ARG  13           HA       ARG  13   6.066   4.755   2.507
   88    HB2  ARG  13           2HB      ARG  13   7.797   3.971   0.140
   89    HB3  ARG  13           1HB      ARG  13   8.440   4.619   1.651
   90    HG2  ARG  13           2HG      ARG  13   6.998   2.703   2.743
   91    HG3  ARG  13           1HG      ARG  13   7.107   1.978   1.139
   92    HD2  ARG  13           2HD      ARG  13   9.718   2.761   1.584
   93    HD3  ARG  13           1HD      ARG  13   9.191   2.252   3.200
   94    HE   ARG  13           HE       ARG  13   8.973   0.042   2.379
   95   HH11  ARG  13          1HH2      ARG  13   9.156   2.363  -0.171
   96   HH12  ARG  13          2HH2      ARG  13   9.228   1.171  -1.425
   97   HH21  ARG  13          1HH1      ARG  13   9.063  -1.521   0.752
   98   HH22  ARG  13          2HH1      ARG  13   9.173  -1.025  -0.904
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  -6.404   7.789  -1.816
    2    HA2  GLY   1           2HA      GLY   1  -3.692   8.835  -1.803
    3    HA3  GLY   1           1HA      GLY   1  -4.388   8.767  -0.183
    4    H    CYS   2           H        CYS   2  -2.672   6.998  -2.458
    5    HA   CYS   2           HA       CYS   2  -3.580   4.357  -2.310
    6    HB2  CYS   2           2HB      CYS   2  -1.141   5.820  -2.859
    7    HB3  CYS   2           1HB      CYS   2  -0.770   4.301  -2.036
    8    H    CYS   3           H        CYS   3  -1.289   5.925  -0.028
    9    HA   CYS   3           HA       CYS   3  -0.930   3.844   1.797
   10    HB2  CYS   3           2HB      CYS   3  -0.727   6.740   1.701
   11    HB3  CYS   3           1HB      CYS   3  -1.226   6.203   3.309
   12    H    SER   4           H        SER   4  -3.718   5.968   1.414
   13    HA   SER   4           HA       SER   4  -5.082   5.279   3.840
   14    HB2  SER   4           2HB      SER   4  -5.366   6.975   1.682
   15    HB3  SER   4           1HB      SER   4  -6.726   5.873   1.491
   16    HG   SER   4           HG       SER   4  -6.027   7.365   3.808
   17    H    ASP   5           H        ASP   5  -4.595   3.558   0.870
   18    HA   ASP   5           HA       ASP   5  -6.883   1.726   1.389
   19    HB2  ASP   5           2HB      ASP   5  -4.878   2.093  -0.857
   20    HB3  ASP   5           1HB      ASP   5  -6.112   0.825  -0.854
   21    H    VAL   6           H        VAL   6  -6.418  -0.645   1.326
   22    HA   VAL   6           HA       VAL   6  -3.984  -1.270   2.896
   23    HB   VAL   6           HB       VAL   6  -6.222  -2.044   3.598
   24   HG11  VAL   6          1HG1      VAL   6  -6.340  -2.790   0.773
   25   HG12  VAL   6          2HG1      VAL   6  -7.653  -2.560   1.926
   26   HG13  VAL   6          3HG1      VAL   6  -6.824  -4.113   1.834
   27   HG21  VAL   6          3HG2      VAL   6  -3.930  -3.512   3.574
   28   HG22  VAL   6          1HG2      VAL   6  -5.008  -4.597   2.697
   29   HG23  VAL   6          2HG2      VAL   6  -5.427  -4.063   4.325
   30    H    ARG   7           H        ARG   7  -4.945  -1.291  -0.365
   31    HA   ARG   7           HA       ARG   7  -3.264  -3.627  -1.094
   32    HB2  ARG   7           2HB      ARG   7  -5.209  -1.786  -2.482
   33    HB3  ARG   7           1HB      ARG   7  -4.151  -2.843  -3.422
   34    HG2  ARG   7           2HG      ARG   7  -5.795  -3.924  -1.140
   35    HG3  ARG   7           1HG      ARG   7  -6.488  -3.746  -2.752
   36    HD2  ARG   7           2HD      ARG   7  -4.119  -4.974  -3.356
   37    HD3  ARG   7           1HD      ARG   7  -4.497  -5.701  -1.779
   38    HE   ARG   7           HE       ARG   7  -6.784  -5.516  -3.602
   39   HH11  ARG   7          1HH2      ARG   7  -4.086  -7.364  -2.485
   40   HH12  ARG   7          2HH2      ARG   7  -4.785  -8.887  -2.921
   41   HH21  ARG   7          1HH1      ARG   7  -7.702  -7.501  -4.172
   42   HH22  ARG   7          2HH1      ARG   7  -6.826  -8.965  -3.873
   43    H    CYS   8           H        CYS   8  -2.998  -0.221  -0.762
   44    HA   CYS   8           HA       CYS   8  -0.590  -0.154  -2.549
   45    HB2  CYS   8           2HB      CYS   8  -2.844   1.484  -2.318
   46    HB3  CYS   8           1HB      CYS   8  -1.574   2.379  -1.483
   47    H    ARG   9           H        ARG   9  -1.687  -0.080   0.705
   48    HA   ARG   9           HA       ARG   9  -0.128   1.435   2.290
   49    HB2  ARG   9           2HB      ARG   9  -1.675  -0.579   2.725
   50    HB3  ARG   9           1HB      ARG   9  -0.221  -1.566   2.593
   51    HG2  ARG   9           2HG      ARG   9   0.515   0.529   4.280
   52    HG3  ARG   9           1HG      ARG   9  -1.121   0.097   4.778
   53    HD2  ARG   9           2HD      ARG   9  -0.486  -2.235   5.074
   54    HD3  ARG   9           1HD      ARG   9   1.124  -1.916   4.394
   55    HE   ARG   9           HE       ARG   9   1.731  -0.854   6.434
   56   HH11  ARG   9          1HH2      ARG   9  -1.676  -1.398   6.206
   57   HH12  ARG   9          2HH2      ARG   9  -1.984  -0.969   7.854
   58   HH21  ARG   9          1HH1      ARG   9   1.336  -0.292   8.585
   59   HH22  ARG   9          2HH1      ARG   9  -0.284  -0.342   9.199
   60    H    TYR  10           H        TYR  10   1.108  -1.765   1.306
   61    HA   TYR  10           HA       TYR  10   3.820  -1.214   2.042
   62    HB2  TYR  10           2HB      TYR  10   2.513  -3.231   0.199
   63    HB3  TYR  10           1HB      TYR  10   4.190  -3.338   0.740
   64    HD1  TYR  10           1HD      TYR  10   3.854  -2.302   3.541
   65    HD2  TYR  10           2HD      TYR  10   1.544  -5.111   1.260
   66    HE1  TYR  10           1HE      TYR  10   3.107  -3.387   5.633
   67    HE2  TYR  10           2HE      TYR  10   0.796  -6.195   3.354
   68    HH   TYR  10           HH       TYR  10   1.058  -6.295   5.566
   69    H    ARG  11           H        ARG  11   2.013  -0.693  -0.942
   70    HA   ARG  11           HA       ARG  11   4.433  -0.176  -2.537
   71    HB2  ARG  11           2HB      ARG  11   1.441   0.032  -2.950
   72    HB3  ARG  11           1HB      ARG  11   2.590   0.544  -4.187
   73    HG2  ARG  11           2HG      ARG  11   2.755  -1.594  -4.862
   74    HG3  ARG  11           1HG      ARG  11   3.463  -1.994  -3.297
   75    HD2  ARG  11           2HD      ARG  11   0.761  -1.814  -2.703
   76    HD3  ARG  11           1HD      ARG  11   0.772  -2.574  -4.307
   77    HE   ARG  11           HE       ARG  11   1.853  -3.749  -1.858
   78   HH11  ARG  11          1HH2      ARG  11   1.997  -3.573  -5.306
   79   HH12  ARG  11          2HH2      ARG  11   2.708  -5.141  -5.485
   80   HH21  ARG  11          1HH1      ARG  11   2.780  -5.794  -2.081
   81   HH22  ARG  11          2HH1      ARG  11   3.151  -6.397  -3.662
   82    H    CYS  12           H        CYS  12   2.550   1.570  -0.307
   83    HA   CYS  12           HA       CYS  12   2.930   4.215  -1.548
   84    HB2  CYS  12           2HB      CYS  12   0.902   3.802  -0.333
   85    HB3  CYS  12           1HB      CYS  12   1.790   3.161   1.049
   86    H    ARG  13           H        ARG  13   5.275   4.337  -1.597
   87    HA   ARG  13           HA       ARG  13   7.051   3.851   0.548
   88    HB2  ARG  13           2HB      ARG  13   8.530   5.370  -0.705
   89    HB3  ARG  13           1HB      ARG  13   7.634   4.342  -1.823
   90    HG2  ARG  13           2HG      ARG  13   7.144   6.324  -2.844
   91    HG3  ARG  13           1HG      ARG  13   5.908   6.428  -1.590
   92    HD2  ARG  13           2HD      ARG  13   7.294   7.828  -0.211
   93    HD3  ARG  13           1HD      ARG  13   8.713   7.530  -1.235
   94    HE   ARG  13           HE       ARG  13   6.525   8.571  -2.804
   95   HH11  ARG  13          1HH2      ARG  13   8.985   9.411  -0.529
   96   HH12  ARG  13          2HH2      ARG  13   9.123  11.043  -1.088
   97   HH21  ARG  13          1HH1      ARG  13   6.696  10.695  -3.537
   98   HH22  ARG  13          2HH1      ARG  13   7.827  11.771  -2.788
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  -3.793   9.602  -0.481
    2    HA2  GLY   1           2HA      GLY   1  -2.198   8.859  -2.748
    3    HA3  GLY   1           1HA      GLY   1  -1.642   8.870  -1.073
    4    H    CYS   2           H        CYS   2  -0.765   6.886  -0.702
    5    HA   CYS   2           HA       CYS   2  -2.190   4.469  -1.752
    6    HB2  CYS   2           2HB      CYS   2   0.485   5.364  -1.729
    7    HB3  CYS   2           1HB      CYS   2   0.419   4.024  -0.578
    8    H    CYS   3           H        CYS   3  -1.344   6.171   1.164
    9    HA   CYS   3           HA       CYS   3  -1.546   3.878   2.952
   10    HB2  CYS   3           2HB      CYS   3  -1.230   6.836   3.095
   11    HB3  CYS   3           1HB      CYS   3  -1.857   6.033   4.539
   12    H    SER   4           H        SER   4  -3.774   6.173   1.545
   13    HA   SER   4           HA       SER   4  -5.949   5.887   3.397
   14    HB2  SER   4           2HB      SER   4  -5.314   7.310   1.120
   15    HB3  SER   4           1HB      SER   4  -6.616   6.263   0.569
   16    HG   SER   4           HG       SER   4  -7.725   6.990   2.549
   17    H    ASP   5           H        ASP   5  -4.526   3.667   1.259
   18    HA   ASP   5           HA       ASP   5  -7.009   1.986   1.210
   19    HB2  ASP   5           2HB      ASP   5  -4.691   2.343  -0.708
   20    HB3  ASP   5           1HB      ASP   5  -5.842   1.010  -0.850
   21    H    VAL   6           H        VAL   6  -6.275  -0.455   0.935
   22    HA   VAL   6           HA       VAL   6  -3.961  -0.957   2.770
   23    HB   VAL   6           HB       VAL   6  -5.581  -3.071   3.222
   24   HG11  VAL   6          1HG1      VAL   6  -6.566  -0.835   4.776
   25   HG12  VAL   6          2HG1      VAL   6  -4.820  -0.718   4.559
   26   HG13  VAL   6          3HG1      VAL   6  -5.524  -2.165   5.280
   27   HG21  VAL   6          3HG2      VAL   6  -7.277  -2.077   1.597
   28   HG22  VAL   6          1HG2      VAL   6  -7.520  -0.788   2.775
   29   HG23  VAL   6          2HG2      VAL   6  -7.903  -2.457   3.202
   30    H    ARG   7           H        ARG   7  -4.328  -1.031  -0.297
   31    HA   ARG   7           HA       ARG   7  -3.520  -3.892  -0.679
   32    HB2  ARG   7           2HB      ARG   7  -4.486  -3.689  -2.890
   33    HB3  ARG   7           1HB      ARG   7  -5.664  -3.074  -1.729
   34    HG2  ARG   7           2HG      ARG   7  -4.701  -0.754  -2.182
   35    HG3  ARG   7           1HG      ARG   7  -3.841  -1.478  -3.543
   36    HD2  ARG   7           2HD      ARG   7  -6.827  -1.803  -3.193
   37    HD3  ARG   7           1HD      ARG   7  -6.128  -0.449  -4.102
   38    HE   ARG   7           HE       ARG   7  -4.814  -2.409  -5.304
   39   HH11  ARG   7          1HH2      ARG   7  -8.111  -2.424  -4.210
   40   HH12  ARG   7          2HH2      ARG   7  -8.604  -3.622  -5.353
   41   HH21  ARG   7          1HH1      ARG   7  -5.474  -3.964  -6.785
   42   HH22  ARG   7          2HH1      ARG   7  -7.126  -4.485  -6.807
   43    H    CYS   8           H        CYS   8  -2.682  -0.523  -1.200
   44    HA   CYS   8           HA       CYS   8  -0.176  -1.394  -2.601
   45    HB2  CYS   8           2HB      CYS   8  -0.274   0.676  -3.769
   46    HB3  CYS   8           1HB      CYS   8  -1.948   0.130  -3.716
   47    H    ARG   9           H        ARG   9  -1.339  -0.390   0.358
   48    HA   ARG   9           HA       ARG   9   0.262   1.611   1.394
   49    HB2  ARG   9           2HB      ARG   9   0.120   0.247   3.517
   50    HB3  ARG   9           1HB      ARG   9  -1.418   0.421   2.671
   51    HG2  ARG   9           2HG      ARG   9  -1.411  -1.869   3.067
   52    HG3  ARG   9           1HG      ARG   9  -0.651  -1.815   1.477
   53    HD2  ARG   9           2HD      ARG   9   1.018  -3.021   2.477
   54    HD3  ARG   9           1HD      ARG   9   1.509  -1.462   3.170
   55    HE   ARG   9           HE       ARG   9   0.667  -2.208   5.244
   56   HH11  ARG   9          1HH2      ARG   9  -0.718  -3.952   2.601
   57   HH12  ARG   9          2HH2      ARG   9  -1.627  -5.020   3.616
   58   HH21  ARG   9          1HH1      ARG   9  -0.520  -3.595   6.574
   59   HH22  ARG   9          2HH1      ARG   9  -1.518  -4.818   5.859
   60    H    TYR  10           H        TYR  10   1.292  -1.622   0.437
   61    HA   TYR  10           HA       TYR  10   3.669  -2.075   1.744
   62    HB2  TYR  10           2HB      TYR  10   2.761  -2.353  -1.102
   63    HB3  TYR  10           1HB      TYR  10   4.426  -2.779  -0.693
   64    HD1  TYR  10           1HD      TYR  10   0.867  -3.541  -0.066
   65    HD2  TYR  10           2HD      TYR  10   4.932  -4.705   0.673
   66    HE1  TYR  10           1HE      TYR  10   0.082  -5.707   0.841
   67    HE2  TYR  10           2HE      TYR  10   4.146  -6.872   1.581
   68    HH   TYR  10           HH       TYR  10   2.205  -7.882   2.501
   69    H    ARG  11           H        ARG  11   3.243   0.228  -0.966
   70    HA   ARG  11           HA       ARG  11   6.033   1.127  -0.796
   71    HB2  ARG  11           2HB      ARG  11   3.588   2.141  -2.285
   72    HB3  ARG  11           1HB      ARG  11   5.239   2.696  -2.565
   73    HG2  ARG  11           2HG      ARG  11   5.547   0.977  -3.982
   74    HG3  ARG  11           1HG      ARG  11   5.306  -0.141  -2.638
   75    HD2  ARG  11           2HD      ARG  11   2.728   0.438  -3.118
   76    HD3  ARG  11           1HD      ARG  11   3.374   0.725  -4.746
   77    HE   ARG  11           HE       ARG  11   3.255  -1.864  -3.394
   78   HH11  ARG  11          1HH2      ARG  11   4.870   0.125  -5.709
   79   HH12  ARG  11          2HH2      ARG  11   5.484  -1.212  -6.621
   80   HH21  ARG  11          1HH1      ARG  11   4.047  -3.616  -4.576
   81   HH22  ARG  11          2HH1      ARG  11   5.020  -3.329  -5.981
   82    H    CYS  12           H        CYS  12   3.025   1.951   0.709
   83    HA   CYS  12           HA       CYS  12   3.838   4.703   1.397
   84    HB2  CYS  12           2HB      CYS  12   1.472   3.632   0.912
   85    HB3  CYS  12           1HB      CYS  12   1.546   3.186   2.615
   86    H    ARG  13           H        ARG  13   5.879   3.821   2.512
   87    HA   ARG  13           HA       ARG  13   5.881   2.182   4.808
   88    HB2  ARG  13           2HB      ARG  13   7.518   4.582   3.951
   89    HB3  ARG  13           1HB      ARG  13   7.930   3.624   5.374
   90    HG2  ARG  13           2HG      ARG  13   8.106   1.604   3.995
   91    HG3  ARG  13           1HG      ARG  13   7.628   2.520   2.565
   92    HD2  ARG  13           2HD      ARG  13   9.996   2.479   2.422
   93    HD3  ARG  13           1HD      ARG  13   9.666   4.055   3.170
   94    HE   ARG  13           HE       ARG  13   9.811   2.165   5.268
   95   HH11  ARG  13          1HH2      ARG  13  11.804   3.525   2.796
   96   HH12  ARG  13          2HH2      ARG  13  13.267   3.353   3.703
   97   HH21  ARG  13          1HH1      ARG  13  11.720   1.938   6.459
   98   HH22  ARG  13          2HH1      ARG  13  13.222   2.456   5.771
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1  -5.840   8.188  -2.460
    2    HA2  GLY   1           2HA      GLY   1  -3.093   8.416  -1.574
    3    HA3  GLY   1           1HA      GLY   1  -4.497   8.191  -0.528
    4    H    CYS   2           H        CYS   2  -2.041   6.532  -2.412
    5    HA   CYS   2           HA       CYS   2  -2.893   3.847  -2.140
    6    HB2  CYS   2           2HB      CYS   2  -0.380   5.365  -2.549
    7    HB3  CYS   2           1HB      CYS   2  -0.166   3.723  -1.934
    8    H    CYS   3           H        CYS   3  -1.121   5.933   0.135
    9    HA   CYS   3           HA       CYS   3  -0.465   4.001   2.103
   10    HB2  CYS   3           2HB      CYS   3  -0.973   6.947   1.989
   11    HB3  CYS   3           1HB      CYS   3  -0.786   6.194   3.574
   12    H    SER   4           H        SER   4  -3.489   5.727   1.491
   13    HA   SER   4           HA       SER   4  -4.754   4.758   3.955
   14    HB2  SER   4           2HB      SER   4  -5.068   6.855   2.216
   15    HB3  SER   4           1HB      SER   4  -6.411   5.809   1.771
   16    HG   SER   4           HG       SER   4  -5.868   6.276   4.480
   17    H    ASP   5           H        ASP   5  -4.341   3.631   0.705
   18    HA   ASP   5           HA       ASP   5  -6.703   1.941   0.577
   19    HB2  ASP   5           2HB      ASP   5  -4.058   2.085  -0.900
   20    HB3  ASP   5           1HB      ASP   5  -5.349   0.964  -1.351
   21    H    VAL   6           H        VAL   6  -6.835  -0.290   1.038
   22    HA   VAL   6           HA       VAL   6  -4.929  -1.324   3.008
   23    HB   VAL   6           HB       VAL   6  -6.589  -3.067   3.219
   24   HG11  VAL   6          1HG1      VAL   6  -8.276  -0.701   2.456
   25   HG12  VAL   6          2HG1      VAL   6  -7.138  -0.560   3.796
   26   HG13  VAL   6          3HG1      VAL   6  -8.422  -1.767   3.854
   27   HG21  VAL   6          3HG2      VAL   6  -7.584  -3.894   1.375
   28   HG22  VAL   6          1HG2      VAL   6  -6.904  -2.584   0.411
   29   HG23  VAL   6          2HG2      VAL   6  -8.475  -2.385   1.188
   30    H    ARG   7           H        ARG   7  -4.646  -1.086  -0.223
   31    HA   ARG   7           HA       ARG   7  -3.257  -3.735  -0.463
   32    HB2  ARG   7           2HB      ARG   7  -3.966  -3.446  -2.947
   33    HB3  ARG   7           1HB      ARG   7  -5.211  -3.909  -1.782
   34    HG2  ARG   7           2HG      ARG   7  -5.863  -1.524  -1.561
   35    HG3  ARG   7           1HG      ARG   7  -4.659  -1.095  -2.774
   36    HD2  ARG   7           2HD      ARG   7  -7.190  -2.715  -3.149
   37    HD3  ARG   7           1HD      ARG   7  -6.665  -1.267  -4.023
   38    HE   ARG   7           HE       ARG   7  -5.115  -2.596  -5.269
   39   HH11  ARG   7          1HH2      ARG   7  -6.706  -4.384  -2.758
   40   HH12  ARG   7          2HH2      ARG   7  -6.218  -5.921  -3.381
   41   HH21  ARG   7          1HH1      ARG   7  -4.496  -4.599  -6.080
   42   HH22  ARG   7          2HH1      ARG   7  -4.977  -6.046  -5.256
   43    H    CYS   8           H        CYS   8  -3.140  -0.291  -0.906
   44    HA   CYS   8           HA       CYS   8  -0.610  -0.496  -2.484
   45    HB2  CYS   8           2HB      CYS   8  -2.830   0.974  -2.890
   46    HB3  CYS   8           1HB      CYS   8  -1.949   2.091  -1.849
   47    H    ARG   9           H        ARG   9  -1.612  -0.264   0.690
   48    HA   ARG   9           HA       ARG   9  -0.093   1.780   1.889
   49    HB2  ARG   9           2HB      ARG   9  -0.062   0.064   3.825
   50    HB3  ARG   9           1HB      ARG   9  -1.636   0.538   3.193
   51    HG2  ARG   9           2HG      ARG   9  -2.084  -1.599   2.655
   52    HG3  ARG   9           1HG      ARG   9  -0.655  -1.652   1.624
   53    HD2  ARG   9           2HD      ARG   9  -0.609  -3.395   3.423
   54    HD3  ARG   9           1HD      ARG   9   0.742  -2.263   3.560
   55    HE   ARG   9           HE       ARG   9  -1.721  -2.214   5.249
   56   HH11  ARG   9          1HH2      ARG   9   1.485  -1.059   4.523
   57   HH12  ARG   9          2HH2      ARG   9   1.670  -0.289   6.056
   58   HH21  ARG   9          1HH1      ARG   9  -1.452  -1.198   7.228
   59   HH22  ARG   9          2HH1      ARG   9   0.025  -0.362   7.575
   60    H    TYR  10           H        TYR  10   0.999  -1.247   0.492
   61    HA   TYR  10           HA       TYR  10   3.491  -1.535   1.837
   62    HB2  TYR  10           2HB      TYR  10   2.225  -2.395  -0.721
   63    HB3  TYR  10           1HB      TYR  10   3.974  -2.603  -0.581
   64    HD1  TYR  10           1HD      TYR  10   0.697  -3.485   0.902
   65    HD2  TYR  10           2HD      TYR  10   4.929  -4.210   0.927
   66    HE1  TYR  10           1HE      TYR  10   0.344  -5.493   2.307
   67    HE2  TYR  10           2HE      TYR  10   4.577  -6.220   2.332
   68    HH   TYR  10           HH       TYR  10   3.100  -7.490   3.384
   69    H    ARG  11           H        ARG  11   3.935  -1.012  -1.567
   70    HA   ARG  11           HA       ARG  11   6.112   0.836  -1.113
   71    HB2  ARG  11           2HB      ARG  11   6.320   0.719  -3.510
   72    HB3  ARG  11           1HB      ARG  11   5.808  -0.878  -2.962
   73    HG2  ARG  11           2HG      ARG  11   3.385   0.231  -3.330
   74    HG3  ARG  11           1HG      ARG  11   4.299   1.164  -4.515
   75    HD2  ARG  11           2HD      ARG  11   3.817  -0.647  -5.861
   76    HD3  ARG  11           1HD      ARG  11   5.237  -1.338  -5.052
   77    HE   ARG  11           HE       ARG  11   2.989  -1.764  -3.368
   78   HH11  ARG  11          1HH2      ARG  11   4.255  -2.694  -6.446
   79   HH12  ARG  11          2HH2      ARG  11   3.486  -4.246  -6.436
   80   HH21  ARG  11          1HH1      ARG  11   1.985  -3.787  -3.347
   81   HH22  ARG  11          2HH1      ARG  11   2.203  -4.864  -4.685
   82    H    CYS  12           H        CYS  12   4.330   2.273   0.167
   83    HA   CYS  12           HA       CYS  12   2.861   4.089  -1.655
   84    HB2  CYS  12           2HB      CYS  12   1.976   3.172   0.533
   85    HB3  CYS  12           1HB      CYS  12   3.192   4.145   1.361
   86    H    ARG  13           H        ARG  13   5.905   3.902  -0.031
   87    HA   ARG  13           HA       ARG  13   7.687   5.443   0.134
   88    HB2  ARG  13           2HB      ARG  13   6.136   6.944  -1.989
   89    HB3  ARG  13           1HB      ARG  13   7.886   6.872  -1.778
   90    HG2  ARG  13           2HG      ARG  13   7.606   4.314  -2.132
   91    HG3  ARG  13           1HG      ARG  13   6.027   4.731  -2.799
   92    HD2  ARG  13           2HD      ARG  13   8.577   6.060  -3.757
   93    HD3  ARG  13           1HD      ARG  13   7.920   4.595  -4.512
   94    HE   ARG  13           HE       ARG  13   5.762   6.383  -4.267
   95   HH11  ARG  13          1HH2      ARG  13   8.851   6.230  -5.810
   96   HH12  ARG  13          2HH2      ARG  13   8.377   7.232  -7.141
   97   HH21  ARG  13          1HH1      ARG  13   5.135   7.686  -5.998
   98   HH22  ARG  13          2HH1      ARG  13   6.276   8.052  -7.249
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1  -3.389   9.901  -3.072
    2    HA2  GLY   1           2HA      GLY   1  -3.086   8.848  -0.737
    3    HA3  GLY   1           1HA      GLY   1  -4.644   8.481  -1.480
    4    H    CYS   2           H        CYS   2  -1.303   7.257  -1.277
    5    HA   CYS   2           HA       CYS   2  -2.145   4.566  -2.122
    6    HB2  CYS   2           2HB      CYS   2   0.011   5.607  -2.765
    7    HB3  CYS   2           1HB      CYS   2   0.474   5.678  -1.061
    8    H    CYS   3           H        CYS   3  -1.121   6.196   0.876
    9    HA   CYS   3           HA       CYS   3  -1.133   3.789   2.494
   10    HB2  CYS   3           2HB      CYS   3  -0.959   6.749   2.862
   11    HB3  CYS   3           1HB      CYS   3  -1.331   5.767   4.282
   12    H    SER   4           H        SER   4  -3.603   5.877   1.299
   13    HA   SER   4           HA       SER   4  -5.548   5.470   3.417
   14    HB2  SER   4           2HB      SER   4  -5.206   7.112   1.252
   15    HB3  SER   4           1HB      SER   4  -6.466   6.027   0.678
   16    HG   SER   4           HG       SER   4  -7.781   6.694   2.258
   17    H    ASP   5           H        ASP   5  -4.273   3.376   1.114
   18    HA   ASP   5           HA       ASP   5  -6.787   1.741   1.035
   19    HB2  ASP   5           2HB      ASP   5  -4.389   1.738  -0.826
   20    HB3  ASP   5           1HB      ASP   5  -5.920   0.891  -1.080
   21    H    VAL   6           H        VAL   6  -6.429  -0.618   1.158
   22    HA   VAL   6           HA       VAL   6  -4.305  -1.296   3.100
   23    HB   VAL   6           HB       VAL   6  -6.769  -1.926   3.242
   24   HG11  VAL   6          1HG1      VAL   6  -7.203  -2.505   0.943
   25   HG12  VAL   6          2HG1      VAL   6  -7.364  -3.983   1.891
   26   HG13  VAL   6          3HG1      VAL   6  -5.906  -3.699   0.942
   27   HG21  VAL   6          3HG2      VAL   6  -6.142  -4.442   3.717
   28   HG22  VAL   6          1HG2      VAL   6  -5.429  -3.165   4.704
   29   HG23  VAL   6          2HG2      VAL   6  -4.498  -3.891   3.393
   30    H    ARG   7           H        ARG   7  -4.733  -1.371  -0.275
   31    HA   ARG   7           HA       ARG   7  -2.922  -3.716  -0.632
   32    HB2  ARG   7           2HB      ARG   7  -4.568  -2.063  -2.575
   33    HB3  ARG   7           1HB      ARG   7  -3.695  -3.548  -2.974
   34    HG2  ARG   7           2HG      ARG   7  -5.094  -4.521  -0.941
   35    HG3  ARG   7           1HG      ARG   7  -6.180  -3.190  -1.339
   36    HD2  ARG   7           2HD      ARG   7  -5.162  -5.003  -3.524
   37    HD3  ARG   7           1HD      ARG   7  -6.561  -5.479  -2.542
   38    HE   ARG   7           HE       ARG   7  -6.498  -3.276  -4.467
   39   HH11  ARG   7          1HH2      ARG   7  -7.905  -4.593  -1.598
   40   HH12  ARG   7          2HH2      ARG   7  -9.395  -3.730  -1.781
   41   HH21  ARG   7          1HH1      ARG   7  -8.439  -2.144  -4.707
   42   HH22  ARG   7          2HH1      ARG   7  -9.697  -2.348  -3.534
   43    H    CYS   8           H        CYS   8  -3.145  -0.225  -1.258
   44    HA   CYS   8           HA       CYS   8  -0.591  -0.161  -2.713
   45    HB2  CYS   8           2HB      CYS   8  -2.659   1.326  -3.025
   46    HB3  CYS   8           1HB      CYS   8  -2.175   2.135  -1.536
   47    H    ARG   9           H        ARG   9  -1.673   0.056   0.568
   48    HA   ARG   9           HA       ARG   9   0.184   1.662   1.886
   49    HB2  ARG   9           2HB      ARG   9  -0.114  -0.050   3.739
   50    HB3  ARG   9           1HB      ARG   9  -1.618   0.529   3.022
   51    HG2  ARG   9           2HG      ARG   9  -2.027  -1.741   2.941
   52    HG3  ARG   9           1HG      ARG   9  -1.206  -1.554   1.394
   53    HD2  ARG   9           2HD      ARG   9   0.030  -3.311   2.290
   54    HD3  ARG   9           1HD      ARG   9   0.961  -1.944   2.933
   55    HE   ARG   9           HE       ARG   9   0.089  -2.434   5.082
   56   HH11  ARG   9          1HH2      ARG   9  -1.717  -3.954   2.562
   57   HH12  ARG   9          2HH2      ARG   9  -2.726  -4.851   3.646
   58   HH21  ARG   9          1HH1      ARG   9  -1.226  -3.597   6.511
   59   HH22  ARG   9          2HH1      ARG   9  -2.450  -4.647   5.880
   60    H    TYR  10           H        TYR  10   0.801  -1.309   0.180
   61    HA   TYR  10           HA       TYR  10   2.995  -2.497   1.291
   62    HB2  TYR  10           2HB      TYR  10   2.154  -1.773  -1.470
   63    HB3  TYR  10           1HB      TYR  10   3.789  -2.417  -1.276
   64    HD1  TYR  10           2HD      TYR  10   0.322  -3.090   0.007
   65    HD2  TYR  10           1HD      TYR  10   4.019  -4.722  -1.445
   66    HE1  TYR  10           2HE      TYR  10  -0.616  -5.370   0.185
   67    HE2  TYR  10           1HE      TYR  10   3.077  -7.006  -1.268
   68    HH   TYR  10           HH       TYR  10   0.711  -8.025  -1.292
   69    H    ARG  11           H        ARG  11   3.919  -0.336  -1.330
   70    HA   ARG  11           HA       ARG  11   6.413   0.362  -0.047
   71    HB2  ARG  11           2HB      ARG  11   6.854   1.406  -2.109
   72    HB3  ARG  11           1HB      ARG  11   5.699   0.150  -2.548
   73    HG2  ARG  11           2HG      ARG  11   4.009   2.198  -1.904
   74    HG3  ARG  11           1HG      ARG  11   5.381   3.089  -2.564
   75    HD2  ARG  11           2HD      ARG  11   4.156   2.635  -4.511
   76    HD3  ARG  11           1HD      ARG  11   5.248   1.237  -4.469
   77    HE   ARG  11           HE       ARG  11   2.946   0.658  -2.874
   78   HH11  ARG  11          1HH2      ARG  11   3.951   1.135  -6.145
   79   HH12  ARG  11          2HH2      ARG  11   2.740   0.090  -6.805
   80   HH21  ARG  11          1HH1      ARG  11   1.364  -0.711  -3.723
   81   HH22  ARG  11          2HH1      ARG  11   1.277  -0.957  -5.436
   82    H    CYS  12           H        CYS  12   3.358   1.483   0.643
   83    HA   CYS  12           HA       CYS  12   4.024   4.336   0.914
   84    HB2  CYS  12           2HB      CYS  12   1.768   3.162   0.345
   85    HB3  CYS  12           1HB      CYS  12   1.644   2.905   2.086
   86    H    ARG  13           H        ARG  13   5.902   2.957   2.383
   87    HA   ARG  13           HA       ARG  13   6.754   2.631   4.577
   88    HB2  ARG  13           2HB      ARG  13   4.931   4.985   5.115
   89    HB3  ARG  13           1HB      ARG  13   6.505   4.653   5.841
   90    HG2  ARG  13           2HG      ARG  13   7.557   4.907   3.595
   91    HG3  ARG  13           1HG      ARG  13   5.981   5.338   2.932
   92    HD2  ARG  13           2HD      ARG  13   6.423   6.973   5.243
   93    HD3  ARG  13           1HD      ARG  13   7.863   7.065   4.213
   94    HE   ARG  13           HE       ARG  13   6.538   8.018   2.485
   95   HH11  ARG  13          1HH2      ARG  13   4.622   6.794   5.094
   96   HH12  ARG  13          2HH2      ARG  13   3.144   7.441   4.474
   97   HH21  ARG  13          1HH1      ARG  13   4.613   8.866   1.682
   98   HH22  ARG  13          2HH1      ARG  13   3.136   8.609   2.550
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  -4.252   9.064  -1.653
    2    HA2  GLY   1           2HA      GLY   1  -1.961   9.505  -3.153
    3    HA3  GLY   1           1HA      GLY   1  -1.348   9.172  -1.533
    4    H    CYS   2           H        CYS   2  -1.367   7.057  -0.788
    5    HA   CYS   2           HA       CYS   2  -2.879   4.990  -2.282
    6    HB2  CYS   2           2HB      CYS   2  -0.309   5.702  -3.019
    7    HB3  CYS   2           1HB      CYS   2  -0.033   4.328  -1.941
    8    H    CYS   3           H        CYS   3  -0.549   5.747   0.307
    9    HA   CYS   3           HA       CYS   3  -0.520   3.401   1.800
   10    HB2  CYS   3           2HB      CYS   3  -0.211   6.271   2.226
   11    HB3  CYS   3           1HB      CYS   3  -0.826   5.457   3.669
   12    H    SER   4           H        SER   4  -3.012   5.950   1.945
   13    HA   SER   4           HA       SER   4  -4.689   4.970   3.934
   14    HB2  SER   4           2HB      SER   4  -4.708   6.863   1.918
   15    HB3  SER   4           1HB      SER   4  -6.101   5.856   1.536
   16    HG   SER   4           HG       SER   4  -5.518   7.018   4.065
   17    H    ASP   5           H        ASP   5  -4.606   3.952   0.510
   18    HA   ASP   5           HA       ASP   5  -6.798   2.211   0.440
   19    HB2  ASP   5           2HB      ASP   5  -4.035   2.102  -0.797
   20    HB3  ASP   5           1HB      ASP   5  -5.327   0.988  -1.261
   21    H    VAL   6           H        VAL   6  -6.707  -0.243   0.500
   22    HA   VAL   6           HA       VAL   6  -5.237  -1.123   2.943
   23    HB   VAL   6           HB       VAL   6  -7.796  -1.237   2.563
   24   HG11  VAL   6          1HG1      VAL   6  -8.660  -2.969   1.196
   25   HG12  VAL   6          2HG1      VAL   6  -7.087  -3.749   1.046
   26   HG13  VAL   6          3HG1      VAL   6  -7.400  -2.230   0.209
   27   HG21  VAL   6          3HG2      VAL   6  -5.941  -3.274   3.634
   28   HG22  VAL   6          1HG2      VAL   6  -7.583  -3.849   3.348
   29   HG23  VAL   6          2HG2      VAL   6  -7.303  -2.472   4.415
   30    H    ARG   7           H        ARG   7  -4.865  -1.216  -0.367
   31    HA   ARG   7           HA       ARG   7  -3.452  -3.857  -0.277
   32    HB2  ARG   7           2HB      ARG   7  -5.238  -4.070  -1.790
   33    HB3  ARG   7           1HB      ARG   7  -5.113  -2.390  -2.318
   34    HG2  ARG   7           2HG      ARG   7  -2.894  -2.966  -3.359
   35    HG3  ARG   7           1HG      ARG   7  -3.221  -4.660  -2.987
   36    HD2  ARG   7           2HD      ARG   7  -3.962  -4.321  -5.251
   37    HD3  ARG   7           1HD      ARG   7  -5.439  -4.339  -4.265
   38    HE   ARG   7           HE       ARG   7  -4.750  -1.695  -4.194
   39   HH11  ARG   7          1HH2      ARG   7  -5.029  -4.011  -6.740
   40   HH12  ARG   7          2HH2      ARG   7  -5.461  -2.836  -7.933
   41   HH21  ARG   7          1HH1      ARG   7  -5.306  -0.156  -5.743
   42   HH22  ARG   7          2HH1      ARG   7  -5.614  -0.655  -7.372
   43    H    CYS   8           H        CYS   8  -3.321  -0.453  -1.129
   44    HA   CYS   8           HA       CYS   8  -0.615  -0.710  -2.323
   45    HB2  CYS   8           2HB      CYS   8  -2.535   0.702  -3.228
   46    HB3  CYS   8           1HB      CYS   8  -2.313   1.751  -1.829
   47    H    ARG   9           H        ARG   9  -1.394  -0.976   0.705
   48    HA   ARG   9           HA       ARG   9  -0.355   1.225   2.170
   49    HB2  ARG   9           2HB      ARG   9  -0.029  -0.539   3.941
   50    HB3  ARG   9           1HB      ARG   9  -1.622  -0.573   3.186
   51    HG2  ARG   9           2HG      ARG   9  -1.047  -2.829   3.123
   52    HG3  ARG   9           1HG      ARG   9  -0.481  -2.295   1.543
   53    HD2  ARG   9           2HD      ARG   9   1.203  -3.695   2.823
   54    HD3  ARG   9           1HD      ARG   9   1.807  -2.091   2.379
   55    HE   ARG   9           HE       ARG   9   1.606  -1.402   4.660
   56   HH11  ARG   9          1HH2      ARG   9   0.292  -4.562   4.085
   57   HH12  ARG   9          2HH2      ARG   9   0.179  -4.949   5.767
   58   HH21  ARG   9          1HH1      ARG   9   1.448  -1.915   6.845
   59   HH22  ARG   9          2HH1      ARG   9   0.824  -3.459   7.321
   60    H    TYR  10           H        TYR  10   1.335  -0.909   0.096
   61    HA   TYR  10           HA       TYR  10   3.848  -1.138   1.444
   62    HB2  TYR  10           2HB      TYR  10   2.954  -1.160  -1.448
   63    HB3  TYR  10           1HB      TYR  10   4.624  -1.491  -0.977
   64    HD1  TYR  10           1HD      TYR  10   5.176  -3.461   0.408
   65    HD2  TYR  10           2HD      TYR  10   1.180  -2.737  -0.987
   66    HE1  TYR  10           1HE      TYR  10   4.564  -5.800   0.950
   67    HE2  TYR  10           2HE      TYR  10   0.569  -5.076  -0.446
   68    HH   TYR  10           HH       TYR  10   2.895  -7.465   0.293
   69    H    ARG  11           H        ARG  11   5.750  -0.098  -0.257
   70    HA   ARG  11           HA       ARG  11   6.455   2.385   0.635
   71    HB2  ARG  11           2HB      ARG  11   7.647   2.608  -1.555
   72    HB3  ARG  11           1HB      ARG  11   7.797   0.997  -0.851
   73    HG2  ARG  11           2HG      ARG  11   5.408   1.175  -2.478
   74    HG3  ARG  11           1HG      ARG  11   6.831   1.626  -3.415
   75    HD2  ARG  11           2HD      ARG  11   7.796  -0.479  -3.213
   76    HD3  ARG  11           1HD      ARG  11   6.988  -0.808  -1.666
   77    HE   ARG  11           HE       ARG  11   5.102  -1.572  -2.871
   78   HH11  ARG  11          1HH2      ARG  11   7.228   0.304  -4.847
   79   HH12  ARG  11          2HH2      ARG  11   6.346  -0.002  -6.306
   80   HH21  ARG  11          1HH1      ARG  11   3.950  -1.975  -4.769
   81   HH22  ARG  11          2HH1      ARG  11   4.496  -1.290  -6.263
   82    H    CYS  12           H        CYS  12   4.959   4.062   0.880
   83    HA   CYS  12           HA       CYS  12   3.137   4.748  -1.352
   84    HB2  CYS  12           2HB      CYS  12   3.550   5.941   1.410
   85    HB3  CYS  12           1HB      CYS  12   2.197   6.282   0.332
   86    H    ARG  13           H        ARG  13   5.151   5.385  -2.723
   87    HA   ARG  13           HA       ARG  13   5.562   8.299  -2.401
   88    HB2  ARG  13           2HB      ARG  13   7.908   8.166  -2.124
   89    HB3  ARG  13           1HB      ARG  13   7.295   6.886  -1.078
   90    HG2  ARG  13           2HG      ARG  13   7.617   5.289  -3.027
   91    HG3  ARG  13           1HG      ARG  13   8.484   6.590  -3.847
   92    HD2  ARG  13           2HD      ARG  13   9.226   5.310  -1.190
   93    HD3  ARG  13           1HD      ARG  13  10.143   5.231  -2.707
   94    HE   ARG  13           HE       ARG  13  10.024   7.531  -0.898
   95   HH11  ARG  13          1HH2      ARG  13  10.515   6.381  -4.117
   96   HH12  ARG  13          2HH2      ARG  13  11.472   7.741  -4.594
   97   HH21  ARG  13          1HH1      ARG  13  11.271   9.308  -1.509
   98   HH22  ARG  13          2HH1      ARG  13  11.901   9.398  -3.121
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  -2.452   8.557  -0.679
    2    HA2  GLY   1           2HA      GLY   1  -0.418   8.605  -2.753
    3    HA3  GLY   1           1HA      GLY   1   0.264   8.887  -1.151
    4    H    CYS   2           H        CYS   2  -2.185   6.673  -2.545
    5    HA   CYS   2           HA       CYS   2  -2.558   4.382  -2.111
    6    HB2  CYS   2           2HB      CYS   2   0.165   5.029  -2.864
    7    HB3  CYS   2           1HB      CYS   2   0.103   3.543  -1.920
    8    H    CYS   3           H        CYS   3  -1.945   6.304   0.299
    9    HA   CYS   3           HA       CYS   3  -0.801   4.410   2.259
   10    HB2  CYS   3           2HB      CYS   3  -1.645   7.299   2.212
   11    HB3  CYS   3           1HB      CYS   3  -1.254   6.497   3.734
   12    H    SER   4           H        SER   4  -3.781   6.341   1.914
   13    HA   SER   4           HA       SER   4  -5.206   5.134   4.071
   14    HB2  SER   4           2HB      SER   4  -5.486   7.180   2.248
   15    HB3  SER   4           1HB      SER   4  -6.779   6.075   1.788
   16    HG   SER   4           HG       SER   4  -7.775   6.968   3.417
   17    H    ASP   5           H        ASP   5  -4.309   3.795   1.074
   18    HA   ASP   5           HA       ASP   5  -6.678   2.077   0.746
   19    HB2  ASP   5           2HB      ASP   5  -3.961   1.869  -0.577
   20    HB3  ASP   5           1HB      ASP   5  -5.521   1.343  -1.218
   21    H    VAL   6           H        VAL   6  -6.282  -0.365   0.620
   22    HA   VAL   6           HA       VAL   6  -4.489  -1.203   2.874
   23    HB   VAL   6           HB       VAL   6  -6.980  -1.393   3.144
   24   HG11  VAL   6          1HG1      VAL   6  -6.968  -3.686   1.228
   25   HG12  VAL   6          2HG1      VAL   6  -7.082  -2.055   0.562
   26   HG13  VAL   6          3HG1      VAL   6  -8.296  -2.630   1.706
   27   HG21  VAL   6          3HG2      VAL   6  -6.910  -3.569   4.114
   28   HG22  VAL   6          1HG2      VAL   6  -5.251  -2.976   4.198
   29   HG23  VAL   6          2HG2      VAL   6  -5.712  -4.132   2.948
   30    H    ARG   7           H        ARG   7  -5.030  -1.447  -0.489
   31    HA   ARG   7           HA       ARG   7  -3.567  -4.047  -0.694
   32    HB2  ARG   7           2HB      ARG   7  -4.429  -4.029  -2.979
   33    HB3  ARG   7           1HB      ARG   7  -5.755  -3.662  -1.871
   34    HG2  ARG   7           2HG      ARG   7  -5.588  -1.300  -2.344
   35    HG3  ARG   7           1HG      ARG   7  -4.104  -1.539  -3.267
   36    HD2  ARG   7           2HD      ARG   7  -6.625  -2.977  -4.091
   37    HD3  ARG   7           1HD      ARG   7  -6.344  -1.298  -4.593
   38    HE   ARG   7           HE       ARG   7  -4.820  -3.629  -5.497
   39   HH11  ARG   7          1HH2      ARG   7  -4.858  -0.222  -4.922
   40   HH12  ARG   7          2HH2      ARG   7  -3.618   0.115  -6.083
   41   HH21  ARG   7          1HH1      ARG   7  -3.202  -3.197  -7.007
   42   HH22  ARG   7          2HH1      ARG   7  -2.680  -1.565  -7.259
   43    H    CYS   8           H        CYS   8  -3.111  -0.667  -0.924
   44    HA   CYS   8           HA       CYS   8  -0.517  -1.082  -2.374
   45    HB2  CYS   8           2HB      CYS   8  -2.307   0.004  -3.734
   46    HB3  CYS   8           1HB      CYS   8  -2.432   1.268  -2.513
   47    H    ARG   9           H        ARG   9  -0.768  -1.117   0.499
   48    HA   ARG   9           HA       ARG   9   0.108   1.595   1.349
   49    HB2  ARG   9           2HB      ARG   9  -0.519   0.904   3.499
   50    HB3  ARG   9           1HB      ARG   9  -1.651   0.021   2.484
   51    HG2  ARG   9           2HG      ARG   9   0.965  -1.268   3.237
   52    HG3  ARG   9           1HG      ARG   9  -0.362  -1.241   4.389
   53    HD2  ARG   9           2HD      ARG   9  -1.764  -2.102   2.297
   54    HD3  ARG   9           1HD      ARG   9  -0.168  -2.683   1.776
   55    HE   ARG   9           HE       ARG   9  -0.428  -3.314   4.524
   56   HH11  ARG   9          1HH2      ARG   9  -1.880  -4.082   1.487
   57   HH12  ARG   9          2HH2      ARG   9  -2.343  -5.679   1.967
   58   HH21  ARG   9          1HH1      ARG   9  -1.021  -5.394   5.159
   59   HH22  ARG   9          2HH1      ARG   9  -1.858  -6.422   4.043
   60    H    TYR  10           H        TYR  10   1.460  -1.366   0.357
   61    HA   TYR  10           HA       TYR  10   3.740  -1.648   2.021
   62    HB2  TYR  10           2HB      TYR  10   3.109  -2.227  -0.876
   63    HB3  TYR  10           1HB      TYR  10   4.675  -2.652  -0.177
   64    HD1  TYR  10           2HD      TYR  10   4.531  -3.861   2.184
   65    HD2  TYR  10           1HD      TYR  10   1.407  -3.816  -0.759
   66    HE1  TYR  10           2HE      TYR  10   3.555  -5.897   3.193
   67    HE2  TYR  10           1HE      TYR  10   0.428  -5.857   0.250
   68    HH   TYR  10           HH       TYR  10   1.823  -7.909   1.973
   69    H    ARG  11           H        ARG  11   3.414   0.165  -1.051
   70    HA   ARG  11           HA       ARG  11   6.069   1.285  -0.979
   71    HB2  ARG  11           2HB      ARG  11   3.463   1.887  -2.380
   72    HB3  ARG  11           1HB      ARG  11   4.885   2.900  -2.637
   73    HG2  ARG  11           2HG      ARG  11   5.813   1.369  -4.002
   74    HG3  ARG  11           1HG      ARG  11   5.586   0.091  -2.806
   75    HD2  ARG  11           2HD      ARG  11   3.024   0.803  -3.936
   76    HD3  ARG  11           1HD      ARG  11   4.166   0.406  -5.235
   77    HE   ARG  11           HE       ARG  11   4.562  -1.506  -3.193
   78   HH11  ARG  11          1HH2      ARG  11   2.089  -0.443  -5.359
   79   HH12  ARG  11          2HH2      ARG  11   1.345  -2.000  -5.477
   80   HH21  ARG  11          1HH1      ARG  11   3.598  -3.542  -3.343
   81   HH22  ARG  11          2HH1      ARG  11   2.196  -3.752  -4.338
   82    H    CYS  12           H        CYS  12   2.927   2.351   0.275
   83    HA   CYS  12           HA       CYS  12   3.620   5.053   0.909
   84    HB2  CYS  12           2HB      CYS  12   1.337   4.349   0.908
   85    HB3  CYS  12           1HB      CYS  12   1.674   3.019   2.014
   86    H    ARG  13           H        ARG  13   5.836   4.798   1.768
   87    HA   ARG  13           HA       ARG  13   7.411   4.526   3.517
   88    HB2  ARG  13           2HB      ARG  13   4.793   5.246   4.856
   89    HB3  ARG  13           1HB      ARG  13   6.313   5.162   5.748
   90    HG2  ARG  13           2HG      ARG  13   7.061   6.670   3.600
   91    HG3  ARG  13           1HG      ARG  13   5.384   7.181   3.801
   92    HD2  ARG  13           2HD      ARG  13   7.542   7.216   5.943
   93    HD3  ARG  13           1HD      ARG  13   6.774   8.626   5.186
   94    HE   ARG  13           HE       ARG  13   4.859   6.755   6.357
   95   HH11  ARG  13          1HH2      ARG  13   6.961   9.446   6.868
   96   HH12  ARG  13          2HH2      ARG  13   6.061  10.058   8.215
   97   HH21  ARG  13          1HH1      ARG  13   3.682   7.540   8.116
   98   HH22  ARG  13          2HH1      ARG  13   4.208   8.981   8.921
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1   0.141   8.839  -2.475
    2    HA2  GLY   1           2HA      GLY   1  -1.741   8.880  -0.971
    3    HA3  GLY   1           1HA      GLY   1  -2.805   9.156  -2.350
    4    H    CYS   2           H        CYS   2  -0.498   6.644  -1.238
    5    HA   CYS   2           HA       CYS   2  -2.475   4.597  -2.190
    6    HB2  CYS   2           2HB      CYS   2   0.378   5.029  -2.572
    7    HB3  CYS   2           1HB      CYS   2   0.059   3.425  -1.902
    8    H    CYS   3           H        CYS   3  -1.255   6.014   0.567
    9    HA   CYS   3           HA       CYS   3  -0.872   3.652   2.233
   10    HB2  CYS   3           2HB      CYS   3  -0.846   6.602   2.439
   11    HB3  CYS   3           1HB      CYS   3  -1.319   5.763   3.920
   12    H    SER   4           H        SER   4  -3.440   6.112   1.927
   13    HA   SER   4           HA       SER   4  -5.271   5.314   3.826
   14    HB2  SER   4           2HB      SER   4  -5.184   6.882   1.551
   15    HB3  SER   4           1HB      SER   4  -6.476   5.740   1.197
   16    HG   SER   4           HG       SER   4  -6.711   7.855   2.621
   17    H    ASP   5           H        ASP   5  -5.181   3.973   0.494
   18    HA   ASP   5           HA       ASP   5  -7.130   1.968   0.793
   19    HB2  ASP   5           2HB      ASP   5  -4.531   2.058  -0.773
   20    HB3  ASP   5           1HB      ASP   5  -5.801   0.859  -1.050
   21    H    VAL   6           H        VAL   6  -6.326  -0.518   0.610
   22    HA   VAL   6           HA       VAL   6  -4.517  -1.011   2.957
   23    HB   VAL   6           HB       VAL   6  -6.846  -2.698   2.002
   24   HG11  VAL   6          1HG1      VAL   6  -4.987  -3.619   3.533
   25   HG12  VAL   6          2HG1      VAL   6  -6.650  -3.804   4.090
   26   HG13  VAL   6          3HG1      VAL   6  -5.632  -2.530   4.763
   27   HG21  VAL   6          3HG2      VAL   6  -8.214  -1.611   3.685
   28   HG22  VAL   6          1HG2      VAL   6  -7.543  -0.362   2.636
   29   HG23  VAL   6          2HG2      VAL   6  -6.846  -0.641   4.232
   30    H    ARG   7           H        ARG   7  -4.516  -1.169  -0.295
   31    HA   ARG   7           HA       ARG   7  -3.028  -3.776  -0.351
   32    HB2  ARG   7           2HB      ARG   7  -4.807  -2.425  -2.404
   33    HB3  ARG   7           1HB      ARG   7  -3.864  -3.887  -2.723
   34    HG2  ARG   7           2HG      ARG   7  -5.085  -5.144  -1.099
   35    HG3  ARG   7           1HG      ARG   7  -5.824  -3.692  -0.427
   36    HD2  ARG   7           2HD      ARG   7  -7.434  -4.891  -1.871
   37    HD3  ARG   7           1HD      ARG   7  -7.010  -3.329  -2.602
   38    HE   ARG   7           HE       ARG   7  -5.102  -4.984  -3.655
   39   HH11  ARG   7          1HH2      ARG   7  -8.535  -5.206  -3.333
   40   HH12  ARG   7          2HH2      ARG   7  -8.734  -6.165  -4.761
   41   HH21  ARG   7          1HH1      ARG   7  -5.354  -6.231  -5.519
   42   HH22  ARG   7          2HH1      ARG   7  -6.938  -6.744  -5.996
   43    H    CYS   8           H        CYS   8  -3.025  -0.377  -1.134
   44    HA   CYS   8           HA       CYS   8  -0.473  -0.694  -2.667
   45    HB2  CYS   8           2HB      CYS   8  -2.541   0.521  -3.579
   46    HB3  CYS   8           1HB      CYS   8  -2.209   1.769  -2.377
   47    H    ARG   9           H        ARG   9  -1.227  -0.451   0.432
   48    HA   ARG   9           HA       ARG   9   0.218   1.940   1.281
   49    HB2  ARG   9           2HB      ARG   9  -0.180   0.935   3.513
   50    HB3  ARG   9           1HB      ARG   9  -1.645   0.905   2.531
   51    HG2  ARG   9           2HG      ARG   9  -1.714  -1.303   3.069
   52    HG3  ARG   9           1HG      ARG   9  -0.462  -1.475   1.837
   53    HD2  ARG   9           2HD      ARG   9   0.164  -2.527   4.040
   54    HD3  ARG   9           1HD      ARG   9   1.291  -1.248   3.544
   55    HE   ARG   9           HE       ARG   9  -0.894  -0.148   5.077
   56   HH11  ARG   9          1HH2      ARG   9   2.065  -1.917   5.270
   57   HH12  ARG   9          2HH2      ARG   9   2.414  -1.408   6.887
   58   HH21  ARG   9          1HH1      ARG   9  -0.449   0.524   7.184
   59   HH22  ARG   9          2HH1      ARG   9   0.992  -0.028   7.971
   60    H    TYR  10           H        TYR  10   1.034  -1.428   0.681
   61    HA   TYR  10           HA       TYR  10   3.368  -1.778   2.188
   62    HB2  TYR  10           2HB      TYR  10   2.346  -2.698  -0.475
   63    HB3  TYR  10           1HB      TYR  10   3.997  -3.123  -0.015
   64    HD1  TYR  10           1HD      TYR  10   3.785  -3.446   2.891
   65    HD2  TYR  10           2HD      TYR  10   1.100  -4.671  -0.226
   66    HE1  TYR  10           1HE      TYR  10   2.927  -5.255   4.343
   67    HE2  TYR  10           2HE      TYR  10   0.241  -6.482   1.227
   68    HH   TYR  10           HH       TYR  10   1.357  -7.834   3.342
   69    H    ARG  11           H        ARG  11   3.266  -0.559  -1.187
   70    HA   ARG  11           HA       ARG  11   6.047   0.379  -0.985
   71    HB2  ARG  11           2HB      ARG  11   5.687   0.924  -3.346
   72    HB3  ARG  11           1HB      ARG  11   5.032  -0.678  -3.009
   73    HG2  ARG  11           2HG      ARG  11   2.817   0.684  -2.507
   74    HG3  ARG  11           1HG      ARG  11   3.582   1.891  -3.541
   75    HD2  ARG  11           2HD      ARG  11   2.108   0.256  -4.795
   76    HD3  ARG  11           1HD      ARG  11   3.791   0.269  -5.358
   77    HE   ARG  11           HE       ARG  11   3.286  -1.634  -3.188
   78   HH11  ARG  11          1HH2      ARG  11   3.313  -1.034  -6.594
   79   HH12  ARG  11          2HH2      ARG  11   3.524  -2.699  -7.013
   80   HH21  ARG  11          1HH1      ARG  11   3.558  -3.807  -3.731
   81   HH22  ARG  11          2HH1      ARG  11   3.663  -4.266  -5.398
   82    H    CYS  12           H        CYS  12   3.691   1.644   0.610
   83    HA   CYS  12           HA       CYS  12   3.640   4.386  -0.497
   84    HB2  CYS  12           2HB      CYS  12   1.631   3.267   0.442
   85    HB3  CYS  12           1HB      CYS  12   2.440   3.161   2.007
   86    H    ARG  13           H        ARG  13   6.197   3.204   0.574
   87    HA   ARG  13           HA       ARG  13   7.938   3.790   2.077
   88    HB2  ARG  13           2HB      ARG  13   6.467   6.306   1.302
   89    HB3  ARG  13           1HB      ARG  13   7.882   6.388   2.353
   90    HG2  ARG  13           2HG      ARG  13   9.259   6.126   0.594
   91    HG3  ARG  13           1HG      ARG  13   8.432   4.641   0.127
   92    HD2  ARG  13           2HD      ARG  13   8.303   6.316  -1.693
   93    HD3  ARG  13           1HD      ARG  13   6.687   6.007  -1.029
   94    HE   ARG  13           HE       ARG  13   8.047   8.144   0.391
   95   HH11  ARG  13          1HH2      ARG  13   6.232   7.294  -2.424
   96   HH12  ARG  13          2HH2      ARG  13   5.606   8.891  -2.660
   97   HH21  ARG  13          1HH1      ARG  13   7.239  10.233   0.088
   98   HH22  ARG  13          2HH1      ARG  13   6.174  10.551  -1.240
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1  -0.819   9.704  -3.833
    2    HA2  GLY   1           2HA      GLY   1   0.721   8.903  -2.010
    3    HA3  GLY   1           1HA      GLY   1  -0.544   9.368  -0.870
    4    H    CYS   2           H        CYS   2  -0.065   6.928  -0.367
    5    HA   CYS   2           HA       CYS   2  -2.243   5.374  -1.648
    6    HB2  CYS   2           2HB      CYS   2   0.494   5.171  -2.373
    7    HB3  CYS   2           1HB      CYS   2   0.113   3.721  -1.437
    8    H    CYS   3           H        CYS   3  -1.457   6.524   1.084
    9    HA   CYS   3           HA       CYS   3  -1.044   4.109   2.732
   10    HB2  CYS   3           2HB      CYS   3  -0.403   6.778   2.921
   11    HB3  CYS   3           1HB      CYS   3  -1.807   6.668   3.988
   12    H    SER   4           H        SER   4  -3.656   5.898   1.407
   13    HA   SER   4           HA       SER   4  -5.608   5.096   3.479
   14    HB2  SER   4           2HB      SER   4  -5.325   7.234   1.809
   15    HB3  SER   4           1HB      SER   4  -6.478   6.255   0.907
   16    HG   SER   4           HG       SER   4  -7.780   7.290   2.256
   17    H    ASP   5           H        ASP   5  -4.089   3.323   1.301
   18    HA   ASP   5           HA       ASP   5  -6.555   1.846   0.438
   19    HB2  ASP   5           2HB      ASP   5  -3.957   2.497  -0.958
   20    HB3  ASP   5           1HB      ASP   5  -4.993   1.176  -1.511
   21    H    VAL   6           H        VAL   6  -6.637  -0.011   1.634
   22    HA   VAL   6           HA       VAL   6  -4.545  -1.197   3.114
   23    HB   VAL   6           HB       VAL   6  -6.095  -3.223   2.941
   24   HG11  VAL   6          1HG1      VAL   6  -7.868  -0.925   3.513
   25   HG12  VAL   6          2HG1      VAL   6  -6.324  -0.909   4.362
   26   HG13  VAL   6          3HG1      VAL   6  -7.415  -2.281   4.545
   27   HG21  VAL   6          3HG2      VAL   6  -7.996  -3.140   1.592
   28   HG22  VAL   6          1HG2      VAL   6  -6.820  -2.324   0.567
   29   HG23  VAL   6          2HG2      VAL   6  -7.978  -1.380   1.503
   30    H    ARG   7           H        ARG   7  -5.385  -1.544  -0.296
   31    HA   ARG   7           HA       ARG   7  -3.610  -3.845  -0.691
   32    HB2  ARG   7           2HB      ARG   7  -5.856  -2.674  -1.908
   33    HB3  ARG   7           1HB      ARG   7  -4.537  -2.443  -3.063
   34    HG2  ARG   7           2HG      ARG   7  -4.784  -4.589  -3.676
   35    HG3  ARG   7           1HG      ARG   7  -4.225  -5.051  -2.069
   36    HD2  ARG   7           2HD      ARG   7  -6.280  -6.030  -1.862
   37    HD3  ARG   7           1HD      ARG   7  -6.870  -4.376  -1.605
   38    HE   ARG   7           HE       ARG   7  -7.807  -4.458  -3.768
   39   HH11  ARG   7          1HH2      ARG   7  -5.255  -6.755  -3.396
   40   HH12  ARG   7          2HH2      ARG   7  -5.492  -7.463  -4.960
   41   HH21  ARG   7          1HH1      ARG   7  -8.128  -5.378  -5.806
   42   HH22  ARG   7          2HH1      ARG   7  -7.118  -6.687  -6.320
   43    H    CYS   8           H        CYS   8  -3.239  -0.458  -0.529
   44    HA   CYS   8           HA       CYS   8  -0.761  -0.588  -2.218
   45    HB2  CYS   8           2HB      CYS   8  -2.866   0.907  -2.741
   46    HB3  CYS   8           1HB      CYS   8  -2.205   1.941  -1.472
   47    H    ARG   9           H        ARG   9  -0.895  -1.307   0.654
   48    HA   ARG   9           HA       ARG   9   0.277   1.009   2.061
   49    HB2  ARG   9           2HB      ARG   9   0.555  -0.896   3.860
   50    HB3  ARG   9           1HB      ARG   9  -1.044  -0.258   3.502
   51    HG2  ARG   9           2HG      ARG   9  -0.888  -2.787   3.611
   52    HG3  ARG   9           1HG      ARG   9  -1.585  -2.143   2.130
   53    HD2  ARG   9           2HD      ARG   9   0.230  -2.788   0.837
   54    HD3  ARG   9           1HD      ARG   9   1.377  -2.611   2.178
   55    HE   ARG   9           HE       ARG   9  -0.284  -4.975   1.646
   56   HH11  ARG   9          1HH2      ARG   9   1.554  -3.121   3.913
   57   HH12  ARG   9          2HH2      ARG   9   1.846  -4.462   4.966
   58   HH21  ARG   9          1HH1      ARG   9   0.091  -6.730   3.020
   59   HH22  ARG   9          2HH1      ARG   9   1.021  -6.499   4.463
   60    H    TYR  10           H        TYR  10   1.526  -0.896  -0.221
   61    HA   TYR  10           HA       TYR  10   3.995  -1.824   1.014
   62    HB2  TYR  10           2HB      TYR  10   2.787  -1.580  -1.715
   63    HB3  TYR  10           1HB      TYR  10   4.530  -1.842  -1.601
   64    HD1  TYR  10           1HD      TYR  10   1.205  -3.226  -0.720
   65    HD2  TYR  10           2HD      TYR  10   5.438  -3.933  -0.867
   66    HE1  TYR  10           1HE      TYR  10   0.818  -5.631  -0.276
   67    HE2  TYR  10           2HE      TYR  10   5.051  -6.339  -0.422
   68    HH   TYR  10           HH       TYR  10   3.137  -7.988  -0.759
   69    H    ARG  11           H        ARG  11   2.953   1.090  -0.701
   70    HA   ARG  11           HA       ARG  11   5.669   2.174  -0.933
   71    HB2  ARG  11           2HB      ARG  11   2.855   2.966  -1.580
   72    HB3  ARG  11           1HB      ARG  11   4.071   4.240  -1.496
   73    HG2  ARG  11           2HG      ARG  11   5.012   3.602  -3.448
   74    HG3  ARG  11           1HG      ARG  11   5.024   1.905  -2.969
   75    HD2  ARG  11           2HD      ARG  11   2.309   2.862  -3.502
   76    HD3  ARG  11           1HD      ARG  11   3.370   3.011  -4.918
   77    HE   ARG  11           HE       ARG  11   3.765   0.478  -3.574
   78   HH11  ARG  11          1HH2      ARG  11   1.726   2.256  -5.723
   79   HH12  ARG  11          2HH2      ARG  11   1.133   0.846  -6.534
   80   HH21  ARG  11          1HH1      ARG  11   2.995  -1.368  -4.624
   81   HH22  ARG  11          2HH1      ARG  11   1.847  -1.202  -5.911
   82    H    CYS  12           H        CYS  12   2.729   3.197   0.849
   83    HA   CYS  12           HA       CYS  12   4.206   5.063   2.528
   84    HB2  CYS  12           2HB      CYS  12   1.848   5.331   1.825
   85    HB3  CYS  12           1HB      CYS  12   1.420   3.876   2.726
   86    H    ARG  13           H        ARG  13   5.718   3.010   3.067
   87    HA   ARG  13           HA       ARG  13   5.025   0.923   4.774
   88    HB2  ARG  13           2HB      ARG  13   7.361   1.207   5.632
   89    HB3  ARG  13           1HB      ARG  13   7.263   1.318   3.875
   90    HG2  ARG  13           2HG      ARG  13   7.995   3.453   3.883
   91    HG3  ARG  13           1HG      ARG  13   6.844   3.911   5.139
   92    HD2  ARG  13           2HD      ARG  13   8.960   2.220   6.223
   93    HD3  ARG  13           1HD      ARG  13   9.614   3.688   5.471
   94    HE   ARG  13           HE       ARG  13   7.244   4.212   7.085
   95   HH11  ARG  13          1HH2      ARG  13  10.669   3.756   7.079
   96   HH12  ARG  13          2HH2      ARG  13  10.924   4.700   8.509
   97   HH21  ARG  13          1HH1      ARG  13   7.569   5.441   8.946
   98   HH22  ARG  13          2HH1      ARG  13   9.174   5.652   9.562
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  -2.675  10.042  -0.617
    2    HA2  GLY   1           2HA      GLY   1  -4.550   8.658  -0.097
    3    HA3  GLY   1           1HA      GLY   1  -4.567   8.564  -1.858
    4    H    CYS   2           H        CYS   2  -2.310   7.025  -2.349
    5    HA   CYS   2           HA       CYS   2  -3.159   4.386  -2.170
    6    HB2  CYS   2           2HB      CYS   2  -0.841   5.850  -2.898
    7    HB3  CYS   2           1HB      CYS   2  -0.293   4.538  -1.849
    8    H    CYS   3           H        CYS   3  -0.942   6.012   0.137
    9    HA   CYS   3           HA       CYS   3  -0.482   3.936   1.939
   10    HB2  CYS   3           2HB      CYS   3  -1.065   6.840   2.554
   11    HB3  CYS   3           1HB      CYS   3  -0.120   5.740   3.560
   12    H    SER   4           H        SER   4  -3.431   5.781   1.480
   13    HA   SER   4           HA       SER   4  -4.679   4.855   3.956
   14    HB2  SER   4           2HB      SER   4  -5.013   6.891   2.135
   15    HB3  SER   4           1HB      SER   4  -6.374   5.836   1.773
   16    HG   SER   4           HG       SER   4  -5.706   7.170   4.159
   17    H    ASP   5           H        ASP   5  -4.794   3.970   0.513
   18    HA   ASP   5           HA       ASP   5  -6.957   2.169   0.503
   19    HB2  ASP   5           2HB      ASP   5  -4.273   2.195  -0.906
   20    HB3  ASP   5           1HB      ASP   5  -5.571   1.078  -1.344
   21    H    VAL   6           H        VAL   6  -6.906  -0.231   0.628
   22    HA   VAL   6           HA       VAL   6  -5.279  -1.152   2.916
   23    HB   VAL   6           HB       VAL   6  -7.531  -2.306   1.248
   24   HG11  VAL   6          1HG1      VAL   6  -6.709  -4.317   1.941
   25   HG12  VAL   6          2HG1      VAL   6  -7.417  -3.861   3.490
   26   HG13  VAL   6          3HG1      VAL   6  -5.701  -3.585   3.191
   27   HG21  VAL   6          3HG2      VAL   6  -7.307  -1.208   4.066
   28   HG22  VAL   6          1HG2      VAL   6  -8.725  -2.072   3.469
   29   HG23  VAL   6          2HG2      VAL   6  -8.250  -0.541   2.734
   30    H    ARG   7           H        ARG   7  -5.450  -1.570  -0.570
   31    HA   ARG   7           HA       ARG   7  -3.607  -3.881  -0.548
   32    HB2  ARG   7           2HB      ARG   7  -5.332  -2.387  -2.450
   33    HB3  ARG   7           1HB      ARG   7  -3.888  -3.131  -3.146
   34    HG2  ARG   7           2HG      ARG   7  -4.533  -5.294  -2.086
   35    HG3  ARG   7           1HG      ARG   7  -6.015  -4.537  -1.504
   36    HD2  ARG   7           2HD      ARG   7  -5.854  -3.944  -4.278
   37    HD3  ARG   7           1HD      ARG   7  -5.510  -5.677  -4.098
   38    HE   ARG   7           HE       ARG   7  -7.668  -5.046  -2.362
   39   HH11  ARG   7          1HH2      ARG   7  -6.891  -5.148  -5.727
   40   HH12  ARG   7          2HH2      ARG   7  -8.508  -5.523  -6.221
   41   HH21  ARG   7          1HH1      ARG   7  -9.782  -5.539  -2.997
   42   HH22  ARG   7          2HH1      ARG   7 -10.141  -5.744  -4.680
   43    H    CYS   8           H        CYS   8  -3.516  -0.399  -1.092
   44    HA   CYS   8           HA       CYS   8  -0.708  -0.522  -2.059
   45    HB2  CYS   8           2HB      CYS   8  -2.720   0.978  -2.867
   46    HB3  CYS   8           1HB      CYS   8  -2.281   1.969  -1.475
   47    H    ARG   9           H        ARG   9  -0.331  -1.484   0.272
   48    HA   ARG   9           HA       ARG   9  -0.201   0.593   2.383
   49    HB2  ARG   9           2HB      ARG   9   0.866  -2.131   2.869
   50    HB3  ARG   9           1HB      ARG   9  -0.258  -1.183   3.833
   51    HG2  ARG   9           2HG      ARG   9  -1.771  -2.729   3.104
   52    HG3  ARG   9           1HG      ARG   9  -1.813  -1.725   1.656
   53    HD2  ARG   9           2HD      ARG   9  -0.631  -3.261   0.405
   54    HD3  ARG   9           1HD      ARG   9   0.363  -3.761   1.786
   55    HE   ARG   9           HE       ARG   9  -2.303  -4.543   2.340
   56   HH11  ARG   9          1HH2      ARG   9   0.257  -5.165   0.103
   57   HH12  ARG   9          2HH2      ARG   9  -0.236  -6.795  -0.204
   58   HH21  ARG   9          1HH1      ARG   9  -2.950  -6.673   1.944
   59   HH22  ARG   9          2HH1      ARG   9  -2.046  -7.649   0.834
   60    H    TYR  10           H        TYR  10   1.923  -1.349   0.332
   61    HA   TYR  10           HA       TYR  10   4.345  -0.393   1.734
   62    HB2  TYR  10           2HB      TYR  10   3.761  -2.223  -0.607
   63    HB3  TYR  10           1HB      TYR  10   5.402  -1.860  -0.063
   64    HD1  TYR  10           1HD      TYR  10   2.093  -3.085   1.172
   65    HD2  TYR  10           2HD      TYR  10   6.355  -3.088   1.692
   66    HE1  TYR  10           1HE      TYR  10   1.875  -4.801   2.942
   67    HE2  TYR  10           2HE      TYR  10   6.137  -4.806   3.463
   68    HH   TYR  10           HH       TYR  10   3.118  -6.429   4.088
   69    H    ARG  11           H        ARG  11   4.440  -0.720  -1.726
   70    HA   ARG  11           HA       ARG  11   5.687   1.818  -2.136
   71    HB2  ARG  11           2HB      ARG  11   4.174   0.074  -4.106
   72    HB3  ARG  11           1HB      ARG  11   5.463   1.213  -4.487
   73    HG2  ARG  11           2HG      ARG  11   7.109  -0.208  -3.786
   74    HG3  ARG  11           1HG      ARG  11   6.136  -0.848  -2.462
   75    HD2  ARG  11           2HD      ARG  11   5.668  -1.513  -5.388
   76    HD3  ARG  11           1HD      ARG  11   6.543  -2.559  -4.253
   77    HE   ARG  11           HE       ARG  11   4.299  -2.174  -2.841
   78   HH11  ARG  11          1HH2      ARG  11   4.722  -2.790  -6.224
   79   HH12  ARG  11          2HH2      ARG  11   3.154  -3.493  -6.412
   80   HH21  ARG  11          1HH1      ARG  11   2.264  -3.085  -3.091
   81   HH22  ARG  11          2HH1      ARG  11   1.766  -3.661  -4.647
   82    H    CYS  12           H        CYS  12   4.172   3.339  -1.071
   83    HA   CYS  12           HA       CYS  12   1.437   3.666  -1.809
   84    HB2  CYS  12           2HB      CYS  12   3.597   5.207  -0.481
   85    HB3  CYS  12           1HB      CYS  12   2.244   6.159  -1.090
   86    H    ARG  13           H        ARG  13   4.389   5.191  -3.079
   87    HA   ARG  13           HA       ARG  13   2.880   5.861  -5.573
   88    HB2  ARG  13           2HB      ARG  13   3.851   8.102  -5.520
   89    HB3  ARG  13           1HB      ARG  13   3.026   7.806  -3.991
   90    HG2  ARG  13           2HG      ARG  13   5.022   7.568  -2.803
   91    HG3  ARG  13           1HG      ARG  13   5.944   7.138  -4.245
   92    HD2  ARG  13           2HD      ARG  13   5.258   9.603  -5.003
   93    HD3  ARG  13           1HD      ARG  13   5.155   9.850  -3.247
   94    HE   ARG  13           HE       ARG  13   7.604   9.297  -4.756
   95   HH11  ARG  13          1HH2      ARG  13   5.940   9.094  -1.734
   96   HH12  ARG  13          2HH2      ARG  13   7.392   9.048  -0.792
   97   HH21  ARG  13          1HH1      ARG  13   9.503   9.240  -3.535
   98   HH22  ARG  13          2HH1      ARG  13   9.405   9.127  -1.810