*HEADER    DE NOVO PROTEIN, ANTIMICROBIAL PROTEIN  04-DEC-16   5WRX              
*TITLE     VG13P STRUCTURE IN LPS                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANALOGUE PEPTIDE VG13P;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    ANTIMICROBIAL PEPTIDE, ENDOTOXIN NEUTRALISATION, TURN AND LOOP-LIKE   
*KEYWDS   2 STRUCTURE, DE NOVO PROTEIN, ANTIMICROBIAL PROTEIN                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.DATTA,A.BHUNIA                                                      
*REVDAT   1   10-MAY-17 5WRX    0                                                
# Restraints file 1: VG13P.seq
VAL
ALA
ARG
GLY
TRP
GLY
ARG
LYS
CYS
PRO
LEU
PHE
GLY


# Restraints file 2: VG13P.upl
1 VAL HB	1 VAL H		3.5	2.0
1 VAL QQG	1 VAL H		3.8	2.0	
1 VAL HA	2 ALA H		3.5	2.0
1 VAL HB	2 ALA H		3.5	2.0
1 VAL QQG	2 ALA H		4.0	2.0
1 VAL QQG	3 ARG H		4.8	2.0
2 ALA QB	2 ALA H		3.5	2.0
2 ALA HA	3 ARG H		3.5	2.0
2 ALA QB	3 ARG H		3.8	2.0
3 ARG QB	3 ARG H		3.5	2.0
3 ARG QG	3 ARG H		4.0	2.0
3 ARG QD	3 ARG H		3.8	2.0
3 ARG HA	4 GLY H		3.5	2.0
3 ARG QB	4 GLY H		3.7	2.0
3 ARG QG	4 GLY H		4.5	2.0
3 ARG QD	4 GLY H		4.0	2.0
4 GLY QA	5 TRP H		3.5	2.0
5 TRP QB	5 TRP H		3.5	2.0
5 TRP HA	5 TRP HE3	4.5	2.0
5 TRP HA	5 TRP HD1	4.6	2.0
5 TRP QB	5 TRP HD1	3.8	2.0
5 TRP QB	5 TRP HE3	4.0	2.0
5 TRP HA	6 GLY H		3.5	2.0
5 TRP QB	6 GLY H		3.8	2.0
6 GLY QA	7 ARG H		3.8	2.0
7 ARG QB	7 ARG H		3.5	2.0
7 ARG QG	7 ARG H		3.8	2.0
7 ARG HA	8 LYS H		3.5	2.0
8 LYS QB	8 LYS H		3.8	2.0
8 LYS QD	8 LYS H		3.8	2.0
8 LYS QG	8 LYS H		3.8 	2.0
8 LYS HA	9 CYS H		3.5	2.0
8 LYS QB	9 CYS H		3.8	2.0
8 LYS QG	9 CYS H		4.0	2.0
8 LYS QD	9 CYS H		4.0	2.0
9 CYS QB	9 CYS H		3.8	2.0
10 PRO QB	11 LEU H	4.5	2.0
10 PRO QG	11 LEU H	4.8	2.0
10 PRO QD	11 LEU H	5.3	2.0
11 LEU QB	11 LEU H	3.5	2.0
11 LEU HG	11 LEU H	4.2	2.0
11 LEU QQD	11 LEU H	3.8	2.0
11 LEU HA	12 PHE H	3.5	2.0
11 LEU QB	12 PHE H	3.8	2.0
11 LEU HG	12 PHE H	4.3	2.0
11 LEU QQD	12 PHE H	4.0	2.0
11 LEU QQD 	12 PHE QE	4.3	2.0
11 LEU QQD	12 PHE QD	4.3	2.0
11 LEU HG	12 PHE QE	4.9	2.0
11 LEU QB	12 PHE QE	4.9	2.0
11 LEU QB	12 PHE QD	4.5	2.0
11 LEU HA	12 PHE QE	5.3	2.0
11 LEU HA	12 PHE QD	4.6	2.0
12 PHE QB	12 PHE H	3.8	2.0
12 PHE HA	13 GLY H	3.3	2.0
12 PHE HA	12 PHE QD	4.0	2.0
12 PHE HA	12 PHE QE	5.3	2.0
12 PHE QB	12 PHE QD	4.5	2.0
12 PHE QB	12 PHE QE	4.5	2.0
12 PHE HA	13 GLY H	3.5	2.0
12 PHE QB	13 GLY H	3.8	2.0
2 ALA H		3 ARG H		3.2	2.0
3 ARG H		4 GLY H		3.2	2.0
4 GLY H		5 TRP H		3.7	2.0
5 TRP H		6 GLY H		4.3	2.0
6 GLY H		7 ARG H		3.5	2.0
7 ARG H		8 LYS H		3.2 	2.0
8 LYS H		9 CYS H		3.4	2.0
11 LEU H	12 PHE H	3.7	2.0
12 PHE H	13 GLY H	3.2	2.0
11 LEU QG	5 TRP H		4.7	2.0
11 LEU QB	5 TRP H		5.3	2.0
11 LEU QQD	5 TRP H		4.4	2.0
11 LEU QQD	5 TRP HZ3	5.0	2.0
1 VAL HB	5 TRP HD1	4.4	2.0
2 ALA HB	5 TRP HD1	4.2	2.0
11 LEU QQD	5 TRP HE3	5.0	2.0
1 VAL QQG	5 TRP HD1	4.3	2.0
1 VAL HB	5 TRP H		5.1	2.0
1 VAL QQG	5 TRP H		4.8	2.0
1 VAL QQG	3 ARG H		4.5	2.0
2 ALA QB	5 TRP H		4.2	2.0
1 VAL QQG	5 TRP HZ2	5.0	2.0
10 PRO QG	12 PHE QE	5.3	2.0
10 PRO QG	12 PHE QD	4.9	2.0
5 TRP HB2	12 PHE HZ	4.3	2.0
1 VAL HB	12 PHE QE	4.9	2.0
2 ALA QB	12 PHE QE	5.2	2.0
1 VAL QQG	12 PHE QE	4.6	2.0
12 PHE QB	5 TRP HD1	4.5	2.0
11 LEU QQD	1 VAL H		4.6	2.0
11 LEU QQD	2 ALA H		4.8	2.0
11 LEU QQD	3 ARG H		4.8	2.0
10 PRO QD	5 TRP HZ3	4.9	2.0
10 PRO HA	5 TRP HZ3	4.9	2.0
10 PRO QG	5 TRP HZ3	5.1	2.0
7 ARG HA	9 CYS H		4.8	2.0
5 TRP HA	9 CYS H		4.3	2.0
11 LEU QQD	4 GLY H		4.5	2.0
10 PRO HA	12 PHE QD	5.0	2.0
9 CYS HB2	5 TRP HZ3	4.5	2.0
6 GLY QA	5 TRP HE3	4.2	2.0
2 ALA QB	12 PHE HZ	4.5	2.0	
# Restraints file 3: VG13P.aco
# Torsion angle constraints 
# generated from HA secondary chemical shifts			
   
   1 VAL  PSI  -120   120
   2 ALA  PHI  -120   -30
   2 ALA  PSI  -120   120
   3 ARG  PHI  -120   -30
   3 ARG  PSI  -120   120
   4 GLY  PHI  -120   -30
   4 GLY  PSI  -120   120
   5 TRP  PHI  -120   -30
   5 TRP  PSI  -120   120
   6 GLY  PHI  -120   -30
   6 GLY  PSI  -120   120
   7 ARG  PHI  -120   -30
   7 ARG  PSI  -120   120
   8 LYS  PHI  -120   -30
   8 LYS  PSI  -120   120
   9 CYS  PHI  -120   -30
   9 CYS  PSI  -120   120
  11 LEU  PHI  -120   -30
  11 LEU  PSI  -120   120
  12 PHE  PHI  -120   -30
  12 PHE  PSI  -120   120
  13 GLY  PHI  -120   -30

  
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           H        VAL   1   1.807   0.001   0.856
    2    HA   VAL   1           HA       VAL   1   1.397  -0.082  -2.063
    3    HB   VAL   1           HB       VAL   1   3.542   1.419  -0.556
    4   HG11  VAL   1          1HG1      VAL   1   4.519   0.488  -2.535
    5   HG12  VAL   1          2HG1      VAL   1   3.141   0.997  -3.513
    6   HG13  VAL   1          3HG1      VAL   1   4.226   2.203  -2.821
    7   HG21  VAL   1          1HG2      VAL   1   2.404   3.332  -0.940
    8   HG22  VAL   1          2HG2      VAL   1   1.771   2.774  -2.489
    9   HG23  VAL   1          3HG2      VAL   1   1.018   2.243  -0.986
   10    H    ALA   2           H        ALA   2   3.822  -0.674   0.482
   11    HA   ALA   2           HA       ALA   2   4.719  -3.022  -1.059
   12    HB1  ALA   2          1HB       ALA   2   6.885  -2.491   0.437
   13    HB2  ALA   2          2HB       ALA   2   6.637  -1.835  -1.181
   14    HB3  ALA   2          3HB       ALA   2   6.251  -0.858   0.235
   15    H    ARG   3           H        ARG   3   4.763  -1.671   2.245
   16    HA   ARG   3           HA       ARG   3   4.217  -4.387   3.249
   17    HB2  ARG   3          2HB       ARG   3   5.956  -2.210   4.396
   18    HB3  ARG   3          3HB       ARG   3   5.372  -3.552   5.371
   19    HG2  ARG   3          2HG       ARG   3   6.906  -4.940   4.557
   20    HG3  ARG   3          3HG       ARG   3   6.595  -4.438   2.894
   21    HD2  ARG   3          2HD       ARG   3   8.236  -2.864   2.918
   22    HD3  ARG   3          3HD       ARG   3   8.033  -2.522   4.635
   23    HE   ARG   3           HE       ARG   3   9.079  -5.019   4.615
   24   HH11  ARG   3          1HH1      ARG   3  10.024  -2.007   3.146
   25   HH12  ARG   3          2HH1      ARG   3  11.717  -2.369   3.185
   26   HH21  ARG   3          1HH2      ARG   3  11.307  -5.507   4.671
   27   HH22  ARG   3          2HH2      ARG   3  12.446  -4.360   4.052
   28    H    GLY   4           H        GLY   4   4.197  -1.154   4.741
   29    HA2  GLY   4          2HA       GLY   4   1.396  -1.668   5.532
   30    HA3  GLY   4          3HA       GLY   4   2.552  -0.824   6.551
   31    H    TRP   5           H        TRP   5   3.151   0.126   3.454
   32    HA   TRP   5           HA       TRP   5   2.429   2.767   3.792
   33    HB2  TRP   5          2HB       TRP   5   3.627   1.257   1.780
   34    HB3  TRP   5          3HB       TRP   5   2.214   1.968   1.005
   35    HD1  TRP   5           HD1      TRP   5   5.385   2.771   0.528
   36    HE1  TRP   5           HE1      TRP   5   5.999   5.265   0.704
   37    HE3  TRP   5           HE3      TRP   5   1.370   4.407   3.237
   38    HZ2  TRP   5           HZ2      TRP   5   4.924   7.614   1.842
   39    HZ3  TRP   5           HZ3      TRP   5   1.239   6.792   3.829
   40    HH2  TRP   5           HH2      TRP   5   2.981   8.360   3.145
   41    H    GLY   6           H        GLY   6   0.361   3.040   4.603
   42    HA2  GLY   6          2HA       GLY   6  -1.892   2.053   3.016
   43    HA3  GLY   6          3HA       GLY   6  -1.987   2.764   4.621
   44    H    ARG   7           H        ARG   7  -1.657   5.094   4.801
   45    HA   ARG   7           HA       ARG   7  -2.504   6.492   2.347
   46    HB2  ARG   7          2HB       ARG   7  -3.288   6.895   5.224
   47    HB3  ARG   7          3HB       ARG   7  -3.479   8.178   4.037
   48    HG2  ARG   7          2HG       ARG   7  -4.646   6.051   2.778
   49    HG3  ARG   7          3HG       ARG   7  -5.063   5.770   4.470
   50    HD2  ARG   7          2HD       ARG   7  -5.399   8.497   3.303
   51    HD3  ARG   7          3HD       ARG   7  -6.595   7.251   2.949
   52    HE   ARG   7           HE       ARG   7  -6.294   8.678   5.388
   53   HH11  ARG   7          1HH1      ARG   7  -7.163   5.572   4.079
   54   HH12  ARG   7          2HH1      ARG   7  -8.183   5.148   5.414
   55   HH21  ARG   7          1HH2      ARG   7  -7.634   8.132   7.152
   56   HH22  ARG   7          2HH2      ARG   7  -8.451   6.606   7.161
   57    H    LYS   8           H        LYS   8  -1.403   7.713   5.488
   58    HA   LYS   8           HA       LYS   8   0.893   8.959   4.127
   59    HB2  LYS   8          2HB       LYS   8   0.561  10.884   5.762
   60    HB3  LYS   8          3HB       LYS   8  -0.601  10.757   4.448
   61    HG2  LYS   8          2HG       LYS   8  -1.903  11.226   6.315
   62    HG3  LYS   8          3HG       LYS   8  -2.066   9.480   6.111
   63    HD2  LYS   8          2HD       LYS   8  -0.614   9.030   7.907
   64    HD3  LYS   8          3HD       LYS   8   0.002  10.684   7.931
   65    HE2  LYS   8          2HE       LYS   8  -2.769  10.887   8.302
   66    HE3  LYS   8          3HE       LYS   8  -2.247   9.546   9.320
   67    HZ1  LYS   8          1HZ       LYS   8  -1.706  11.134  10.769
   68    HZ2  LYS   8          2HZ       LYS   8  -1.759  12.365   9.611
   69    HZ3  LYS   8          3HZ       LYS   8  -0.362  11.427   9.783
   70    H    CYS   9           H        CYS   9   0.759   6.490   5.653
   71    HA   CYS   9           HA       CYS   9   2.511   7.232   7.904
   72    HB2  CYS   9          2HB       CYS   9   0.299   5.249   7.716
   73    HB3  CYS   9          3HB       CYS   9   1.703   4.804   8.677
   74    HG   CYS   9           HG       CYS   9   0.287   7.824   9.263
   75    HA   PRO  10           HA       PRO  10   4.958   4.749   4.849
   76    HB2  PRO  10          2HB       PRO  10   7.175   6.307   5.016
   77    HB3  PRO  10          3HB       PRO  10   5.837   6.655   3.915
   78    HG2  PRO  10          2HG       PRO  10   6.445   7.845   6.594
   79    HG3  PRO  10          3HG       PRO  10   5.911   8.651   5.107
   80    HD2  PRO  10          2HD       PRO  10   4.216   8.068   7.137
   81    HD3  PRO  10          3HD       PRO  10   3.704   8.074   5.437
   82    H    LEU  11           H        LEU  11   6.093   3.038   5.519
   83    HA   LEU  11           HA       LEU  11   7.499   3.215   8.103
   84    HB2  LEU  11          2HB       LEU  11   7.064   0.693   8.180
   85    HB3  LEU  11          3HB       LEU  11   5.727   1.783   8.539
   86    HG   LEU  11           HG       LEU  11   6.066   0.677   5.778
   87   HD11  LEU  11          1HD1      LEU  11   5.961  -1.027   7.884
   88   HD12  LEU  11          2HD1      LEU  11   5.312  -1.374   6.281
   89   HD13  LEU  11          3HD1      LEU  11   4.246  -0.783   7.556
   90   HD21  LEU  11          1HD2      LEU  11   4.293   2.441   6.950
   91   HD22  LEU  11          2HD2      LEU  11   3.407   0.916   6.919
   92   HD23  LEU  11          3HD2      LEU  11   4.062   1.586   5.425
   93    H    PHE  12           H        PHE  12   8.487   3.687   5.358
   94    HA   PHE  12           HA       PHE  12  10.563   1.598   5.308
   95    HB2  PHE  12          2HB       PHE  12   9.874   3.099   2.820
   96    HB3  PHE  12          3HB       PHE  12  10.520   1.472   3.003
   97    HD1  PHE  12           HD1      PHE  12   9.126  -0.311   2.614
   98    HD2  PHE  12           HD2      PHE  12   7.435   3.424   3.759
   99    HE1  PHE  12           HE1      PHE  12   6.869  -1.243   2.309
  100    HE2  PHE  12           HE2      PHE  12   5.176   2.498   3.456
  101    HZ   PHE  12           HZ       PHE  12   4.890   0.162   2.731
  102    H    GLY  13           H        GLY  13  10.457   4.231   6.669
  103    HA2  GLY  13          2HA       GLY  13  12.556   5.684   5.203
  104    HA3  GLY  13          3HA       GLY  13  11.555   6.357   6.481
  Start of MODEL    2
    1    H1   VAL   1           H        VAL   1   1.647  -0.042   1.174
    2    HA   VAL   1           HA       VAL   1   0.977  -0.122  -1.696
    3    HB   VAL   1           HB       VAL   1   3.235   1.395  -0.382
    4   HG11  VAL   1          1HG1      VAL   1   4.034   0.475  -2.447
    5   HG12  VAL   1          2HG1      VAL   1   2.572   0.986  -3.294
    6   HG13  VAL   1          3HG1      VAL   1   3.711   2.191  -2.693
    7   HG21  VAL   1          1HG2      VAL   1   0.677   2.196  -0.576
    8   HG22  VAL   1          2HG2      VAL   1   2.049   3.301  -0.658
    9   HG23  VAL   1          3HG2      VAL   1   1.282   2.736  -2.142
   10    H    ALA   2           H        ALA   2   3.626  -0.697   0.620
   11    HA   ALA   2           HA       ALA   2   4.404  -3.032  -1.005
   12    HB1  ALA   2          1HB       ALA   2   6.293  -1.831  -1.293
   13    HB2  ALA   2          2HB       ALA   2   6.024  -0.854   0.151
   14    HB3  ALA   2          3HB       ALA   2   6.689  -2.481   0.298
   15    H    ARG   3           H        ARG   3   4.732  -1.690   2.288
   16    HA   ARG   3           HA       ARG   3   4.302  -4.415   3.326
   17    HB2  ARG   3          2HB       ARG   3   6.112  -2.224   4.330
   18    HB3  ARG   3          3HB       ARG   3   5.638  -3.586   5.337
   19    HG2  ARG   3          2HG       ARG   3   7.047  -4.989   4.315
   20    HG3  ARG   3          3HG       ARG   3   6.685  -4.343   2.713
   21    HD2  ARG   3          2HD       ARG   3   8.396  -2.872   2.775
   22    HD3  ARG   3          3HD       ARG   3   8.193  -2.552   4.497
   23    HE   ARG   3           HE       ARG   3   9.191  -5.125   4.277
   24   HH11  ARG   3          1HH1      ARG   3  10.203  -1.893   3.471
   25   HH12  ARG   3          2HH1      ARG   3  11.892  -2.236   3.656
   26   HH21  ARG   3          1HH2      ARG   3  11.411  -5.589   4.523
   27   HH22  ARG   3          2HH2      ARG   3  12.578  -4.339   4.253
   28    H    GLY   4           H        GLY   4   4.387  -1.186   4.826
   29    HA2  GLY   4          2HA       GLY   4   1.673  -1.728   5.863
   30    HA3  GLY   4          3HA       GLY   4   2.909  -0.877   6.778
   31    H    TRP   5           H        TRP   5   3.217   0.087   3.642
   32    HA   TRP   5           HA       TRP   5   2.505   2.720   4.054
   33    HB2  TRP   5          2HB       TRP   5   3.533   1.229   1.937
   34    HB3  TRP   5          3HB       TRP   5   2.049   1.927   1.294
   35    HD1  TRP   5           HD1      TRP   5   5.157   2.764   0.539
   36    HE1  TRP   5           HE1      TRP   5   5.759   5.263   0.667
   37    HE3  TRP   5           HE3      TRP   5   1.383   4.352   3.600
   38    HZ2  TRP   5           HZ2      TRP   5   4.766   7.598   1.904
   39    HZ3  TRP   5           HZ3      TRP   5   1.281   6.734   4.209
   40    HH2  TRP   5           HH2      TRP   5   2.939   8.322   3.377
   41    H    GLY   6           H        GLY   6   0.516   2.970   5.049
   42    HA2  GLY   6          2HA       GLY   6  -1.861   1.970   3.663
   43    HA3  GLY   6          3HA       GLY   6  -1.819   2.669   5.275
   44    H    ARG   7           H        ARG   7  -1.516   4.998   5.449
   45    HA   ARG   7           HA       ARG   7  -2.593   6.402   3.092
   46    HB2  ARG   7          2HB       ARG   7  -3.257   6.541   5.977
   47    HB3  ARG   7          3HB       ARG   7  -3.224   8.072   5.111
   48    HG2  ARG   7          2HG       ARG   7  -4.740   5.775   3.965
   49    HG3  ARG   7          3HG       ARG   7  -5.432   6.705   5.295
   50    HD2  ARG   7          2HD       ARG   7  -4.378   8.521   3.375
   51    HD3  ARG   7          3HD       ARG   7  -5.379   7.340   2.532
   52    HE   ARG   7           HE       ARG   7  -6.264   9.380   4.355
   53   HH11  ARG   7          1HH1      ARG   7  -7.008   6.296   2.921
   54   HH12  ARG   7          2HH1      ARG   7  -8.717   6.452   3.156
   55   HH21  ARG   7          1HH2      ARG   7  -8.513   9.597   4.670
   56   HH22  ARG   7          2HH2      ARG   7  -9.572   8.330   4.150
   57    H    LYS   8           H        LYS   8  -1.208   7.629   6.115
   58    HA   LYS   8           HA       LYS   8   0.942   8.889   4.546
   59    HB2  LYS   8          2HB       LYS   8   0.750  10.897   5.904
   60    HB3  LYS   8          3HB       LYS   8  -0.786  10.550   5.121
   61    HG2  LYS   8          2HG       LYS   8  -0.269   9.597   7.905
   62    HG3  LYS   8          3HG       LYS   8  -0.753  11.268   7.604
   63    HD2  LYS   8          2HD       LYS   8  -2.599  10.045   6.124
   64    HD3  LYS   8          3HD       LYS   8  -2.291   8.749   7.283
   65    HE2  LYS   8          2HE       LYS   8  -2.952  11.589   8.050
   66    HE3  LYS   8          3HE       LYS   8  -4.145  10.298   7.922
   67    HZ1  LYS   8          1HZ       LYS   8  -3.247   9.181   9.729
   68    HZ2  LYS   8          2HZ       LYS   8  -3.152  10.801  10.205
   69    HZ3  LYS   8          3HZ       LYS   8  -1.770  10.001   9.649
   70    H    CYS   9           H        CYS   9   0.981   6.422   6.068
   71    HA   CYS   9           HA       CYS   9   2.922   7.179   8.152
   72    HB2  CYS   9          2HB       CYS   9   1.104   4.761   8.132
   73    HB3  CYS   9          3HB       CYS   9   2.283   5.151   9.378
   74    HG   CYS   9           HG       CYS   9   0.511   6.294  10.832
   75    HA   PRO  10           HA       PRO  10   5.104   4.725   4.883
   76    HB2  PRO  10          2HB       PRO  10   7.314   6.302   4.853
   77    HB3  PRO  10          3HB       PRO  10   5.878   6.641   3.879
   78    HG2  PRO  10          2HG       PRO  10   6.716   7.830   6.496
   79    HG3  PRO  10          3HG       PRO  10   6.043   8.634   5.066
   80    HD2  PRO  10          2HD       PRO  10   4.544   8.032   7.239
   81    HD3  PRO  10          3HD       PRO  10   3.880   8.037   5.592
   82    H    LEU  11           H        LEU  11   6.309   3.022   5.442
   83    HA   LEU  11           HA       LEU  11   7.941   3.205   7.889
   84    HB2  LEU  11          2HB       LEU  11   7.537   0.679   7.996
   85    HB3  LEU  11          3HB       LEU  11   6.228   1.756   8.477
   86    HG   LEU  11           HG       LEU  11   6.327   0.660   5.694
   87   HD11  LEU  11          1HD1      LEU  11   4.688  -0.821   7.623
   88   HD12  LEU  11          2HD1      LEU  11   6.427  -1.050   7.796
   89   HD13  LEU  11          3HD1      LEU  11   5.642  -1.399   6.256
   90   HD21  LEU  11          1HD2      LEU  11   3.779   0.871   7.068
   91   HD22  LEU  11          2HD2      LEU  11   4.292   1.552   5.524
   92   HD23  LEU  11          3HD2      LEU  11   4.651   2.404   7.027
   93    H    PHE  12           H        PHE  12   8.673   3.693   5.068
   94    HA   PHE  12           HA       PHE  12  10.755   1.623   4.823
   95    HB2  PHE  12          2HB       PHE  12   9.830   3.123   2.412
   96    HB3  PHE  12          3HB       PHE  12  10.505   1.502   2.531
   97    HD1  PHE  12           HD1      PHE  12   7.484   3.424   3.569
   98    HD2  PHE  12           HD2      PHE  12   9.096  -0.293   2.266
   99    HE1  PHE  12           HE1      PHE  12   5.215   2.478   3.470
  100    HE2  PHE  12           HE2      PHE  12   6.830  -1.245   2.164
  101    HZ   PHE  12           HZ       PHE  12   4.885   0.142   2.765
  102    H    GLY  13           H        GLY  13  10.729   4.271   6.183
  103    HA2  GLY  13          2HA       GLY  13  12.300   6.063   4.595
  104    HA3  GLY  13          3HA       GLY  13  11.993   6.196   6.320
  Start of MODEL    3
    1    H1   VAL   1           H        VAL   1   1.710   0.059   1.290
    2    HA   VAL   1           HA       VAL   1   1.018  -0.003  -1.575
    3    HB   VAL   1           HB       VAL   1   3.260   1.540  -0.264
    4   HG11  VAL   1          1HG1      VAL   1   2.580   1.141  -3.173
    5   HG12  VAL   1          2HG1      VAL   1   3.697   2.370  -2.574
    6   HG13  VAL   1          3HG1      VAL   1   4.060   0.659  -2.343
    7   HG21  VAL   1          1HG2      VAL   1   2.039   3.425  -0.508
    8   HG22  VAL   1          2HG2      VAL   1   1.271   2.867  -1.994
    9   HG23  VAL   1          3HG2      VAL   1   0.684   2.298  -0.431
   10    H    ALA   2           H        ALA   2   3.696  -0.555   0.713
   11    HA   ALA   2           HA       ALA   2   4.501  -2.859  -0.943
   12    HB1  ALA   2          1HB       ALA   2   6.092  -0.666   0.224
   13    HB2  ALA   2          2HB       ALA   2   6.788  -2.283   0.344
   14    HB3  ALA   2          3HB       ALA   2   6.365  -1.619  -1.235
   15    H    ARG   3           H        ARG   3   4.833  -1.545   2.360
   16    HA   ARG   3           HA       ARG   3   4.461  -4.288   3.374
   17    HB2  ARG   3          2HB       ARG   3   6.275  -2.086   4.328
   18    HB3  ARG   3          3HB       ARG   3   5.782  -3.390   5.399
   19    HG2  ARG   3          2HG       ARG   3   7.229  -4.815   4.491
   20    HG3  ARG   3          3HG       ARG   3   6.768  -4.364   2.848
   21    HD2  ARG   3          2HD       ARG   3   8.411  -2.802   2.670
   22    HD3  ARG   3          3HD       ARG   3   8.364  -2.402   4.387
   23    HE   ARG   3           HE       ARG   3  10.047  -3.900   4.717
   24   HH11  ARG   3          1HH1      ARG   3   8.448  -4.675   1.724
   25   HH12  ARG   3          2HH1      ARG   3   9.563  -5.932   1.302
   26   HH21  ARG   3          1HH2      ARG   3  11.522  -5.553   4.173
   27   HH22  ARG   3          2HH2      ARG   3  11.311  -6.431   2.697
   28    H    GLY   4           H        GLY   4   4.502  -1.074   4.907
   29    HA2  GLY   4          2HA       GLY   4   1.806  -1.675   5.961
   30    HA3  GLY   4          3HA       GLY   4   3.034  -0.811   6.874
   31    H    TRP   5           H        TRP   5   3.299   0.190   3.746
   32    HA   TRP   5           HA       TRP   5   2.544   2.806   4.192
   33    HB2  TRP   5          2HB       TRP   5   3.580   1.355   2.051
   34    HB3  TRP   5          3HB       TRP   5   2.079   2.033   1.427
   35    HD1  TRP   5           HD1      TRP   5   5.165   2.934   0.656
   36    HE1  TRP   5           HE1      TRP   5   5.723   5.442   0.805
   37    HE3  TRP   5           HE3      TRP   5   1.389   4.422   3.765
   38    HZ2  TRP   5           HZ2      TRP   5   4.698   7.746   2.074
   39    HZ3  TRP   5           HZ3      TRP   5   1.249   6.795   4.399
   40    HH2  TRP   5           HH2      TRP   5   2.871   8.421   3.570
   41    H    GLY   6           H        GLY   6   0.559   3.009   5.206
   42    HA2  GLY   6          2HA       GLY   6  -1.811   1.982   3.829
   43    HA3  GLY   6          3HA       GLY   6  -1.768   2.665   5.448
   44    H    ARG   7           H        ARG   7  -1.507   4.996   5.644
   45    HA   ARG   7           HA       ARG   7  -2.628   6.405   3.311
   46    HB2  ARG   7          2HB       ARG   7  -3.070   6.837   6.263
   47    HB3  ARG   7          3HB       ARG   7  -3.525   8.026   5.050
   48    HG2  ARG   7          2HG       ARG   7  -4.678   5.755   4.073
   49    HG3  ARG   7          3HG       ARG   7  -4.826   5.529   5.817
   50    HD2  ARG   7          2HD       ARG   7  -6.780   6.666   5.180
   51    HD3  ARG   7          3HD       ARG   7  -5.739   7.901   5.888
   52    HE   ARG   7           HE       ARG   7  -5.614   8.926   3.842
   53   HH11  ARG   7          1HH1      ARG   7  -6.904   5.717   3.446
   54   HH12  ARG   7          2HH1      ARG   7  -7.324   5.950   1.782
   55   HH21  ARG   7          1HH2      ARG   7  -6.163   9.245   1.651
   56   HH22  ARG   7          2HH2      ARG   7  -6.901   7.957   0.761
   57    H    LYS   8           H        LYS   8  -1.240   7.625   6.334
   58    HA   LYS   8           HA       LYS   8   0.874   8.940   4.761
   59    HB2  LYS   8          2HB       LYS   8   0.658  10.931   6.142
   60    HB3  LYS   8          3HB       LYS   8  -0.878  10.564   5.367
   61    HG2  LYS   8          2HG       LYS   8  -0.322   9.592   8.137
   62    HG3  LYS   8          3HG       LYS   8  -0.838  11.256   7.857
   63    HD2  LYS   8          2HD       LYS   8  -2.673  10.015   6.379
   64    HD3  LYS   8          3HD       LYS   8  -2.333   8.714   7.523
   65    HE2  LYS   8          2HE       LYS   8  -3.666   9.709   8.993
   66    HE3  LYS   8          3HE       LYS   8  -2.555  11.077   9.036
   67    HZ1  LYS   8          1HZ       LYS   8  -4.393  11.011   6.790
   68    HZ2  LYS   8          2HZ       LYS   8  -3.891  12.316   7.742
   69    HZ3  LYS   8          3HZ       LYS   8  -5.101  11.276   8.304
   70    H    CYS   9           H        CYS   9   0.970   6.459   6.257
   71    HA   CYS   9           HA       CYS   9   2.915   7.229   8.333
   72    HB2  CYS   9          2HB       CYS   9   1.104   4.805   8.297
   73    HB3  CYS   9          3HB       CYS   9   2.328   5.141   9.516
   74    HG   CYS   9           HG       CYS   9   0.064   5.782  10.824
   75    HA   PRO  10           HA       PRO  10   5.113   4.848   5.020
   76    HB2  PRO  10          2HB       PRO  10   7.293   6.465   4.989
   77    HB3  PRO  10          3HB       PRO  10   5.844   6.788   4.030
   78    HG2  PRO  10          2HG       PRO  10   6.682   7.965   6.652
   79    HG3  PRO  10          3HG       PRO  10   5.983   8.772   5.236
   80    HD2  PRO  10          2HD       PRO  10   4.513   8.120   7.415
   81    HD3  PRO  10          3HD       PRO  10   3.836   8.130   5.774
   82    H    LEU  11           H        LEU  11   6.353   3.162   5.551
   83    HA   LEU  11           HA       LEU  11   8.002   3.349   7.987
   84    HB2  LEU  11          2HB       LEU  11   7.645   0.815   8.071
   85    HB3  LEU  11          3HB       LEU  11   6.320   1.864   8.574
   86    HG   LEU  11           HG       LEU  11   6.415   0.798   5.778
   87   HD11  LEU  11          1HD1      LEU  11   4.819  -0.732   7.705
   88   HD12  LEU  11          2HD1      LEU  11   6.564  -0.932   7.862
   89   HD13  LEU  11          3HD1      LEU  11   5.772  -1.279   6.325
   90   HD21  LEU  11          1HD2      LEU  11   3.876   0.949   7.175
   91   HD22  LEU  11          2HD2      LEU  11   4.364   1.656   5.635
   92   HD23  LEU  11          3HD2      LEU  11   4.719   2.498   7.144
   93    H    PHE  12           H        PHE  12   8.701   3.880   5.165
   94    HA   PHE  12           HA       PHE  12  10.818   1.850   4.882
   95    HB2  PHE  12          2HB       PHE  12   9.846   3.358   2.494
   96    HB3  PHE  12          3HB       PHE  12  10.551   1.748   2.590
   97    HD1  PHE  12           HD1      PHE  12   7.505   3.604   3.673
   98    HD2  PHE  12           HD2      PHE  12   9.173  -0.070   2.318
   99    HE1  PHE  12           HE1      PHE  12   5.252   2.619   3.583
  100    HE2  PHE  12           HE2      PHE  12   6.923  -1.061   2.225
  101    HZ   PHE  12           HZ       PHE  12   4.959   0.284   2.857
  102    H    GLY  13           H        GLY  13  10.760   4.479   6.272
  103    HA2  GLY  13          2HA       GLY  13  12.087   6.470   4.826
  104    HA3  GLY  13          3HA       GLY  13  12.166   6.267   6.569
  Start of MODEL    4
    1    H1   VAL   1           H        VAL   1   1.700  -0.018   1.075
    2    HA   VAL   1           HA       VAL   1   1.026  -0.013  -1.795
    3    HB   VAL   1           HB       VAL   1   3.274   1.479  -0.437
    4   HG11  VAL   1          1HG1      VAL   1   4.081   0.637  -2.529
    5   HG12  VAL   1          2HG1      VAL   1   2.610   1.150  -3.359
    6   HG13  VAL   1          3HG1      VAL   1   3.733   2.354  -2.726
    7   HG21  VAL   1          1HG2      VAL   1   2.073   3.381  -0.648
    8   HG22  VAL   1          2HG2      VAL   1   1.311   2.864  -2.152
    9   HG23  VAL   1          3HG2      VAL   1   0.707   2.266  -0.606
   10    H    ALA   2           H        ALA   2   3.684  -0.641   0.496
   11    HA   ALA   2           HA       ALA   2   4.476  -2.916  -1.203
   12    HB1  ALA   2          1HB       ALA   2   6.761  -2.393   0.107
   13    HB2  ALA   2          2HB       ALA   2   6.353  -1.686  -1.457
   14    HB3  ALA   2          3HB       ALA   2   6.083  -0.767   0.024
   15    H    ARG   3           H        ARG   3   4.800  -1.676   2.130
   16    HA   ARG   3           HA       ARG   3   4.395  -4.436   3.083
   17    HB2  ARG   3          2HB       ARG   3   6.197  -2.264   4.138
   18    HB3  ARG   3          3HB       ARG   3   5.724  -3.644   5.120
   19    HG2  ARG   3          2HG       ARG   3   7.110  -5.044   4.050
   20    HG3  ARG   3          3HG       ARG   3   6.786  -4.323   2.472
   21    HD2  ARG   3          2HD       ARG   3   8.558  -2.953   2.605
   22    HD3  ARG   3          3HD       ARG   3   8.255  -2.576   4.301
   23    HE   ARG   3           HE       ARG   3   9.275  -5.215   3.970
   24   HH11  ARG   3          1HH1      ARG   3  10.190  -1.857   4.065
   25   HH12  ARG   3          2HH1      ARG   3  11.811  -2.179   4.585
   26   HH21  ARG   3          1HH2      ARG   3  11.406  -5.652   4.655
   27   HH22  ARG   3          2HH2      ARG   3  12.502  -4.338   4.920
   28    H    GLY   4           H        GLY   4   4.457  -1.256   4.684
   29    HA2  GLY   4          2HA       GLY   4   1.749  -1.852   5.708
   30    HA3  GLY   4          3HA       GLY   4   2.979  -1.020   6.647
   31    H    TRP   5           H        TRP   5   3.274   0.045   3.543
   32    HA   TRP   5           HA       TRP   5   2.541   2.658   4.040
   33    HB2  TRP   5          2HB       TRP   5   3.578   1.243   1.875
   34    HB3  TRP   5          3HB       TRP   5   2.087   1.948   1.256
   35    HD1  TRP   5           HD1      TRP   5   5.186   2.836   0.524
   36    HE1  TRP   5           HE1      TRP   5   5.767   5.335   0.731
   37    HE3  TRP   5           HE3      TRP   5   1.404   4.293   3.639
   38    HZ2  TRP   5           HZ2      TRP   5   4.756   7.621   2.042
   39    HZ3  TRP   5           HZ3      TRP   5   1.282   6.654   4.323
   40    HH2  TRP   5           HH2      TRP   5   2.925   8.282   3.540
   41    H    GLY   6           H        GLY   6   0.551   2.858   5.045
   42    HA2  GLY   6          2HA       GLY   6  -1.819   1.883   3.631
   43    HA3  GLY   6          3HA       GLY   6  -1.780   2.531   5.264
   44    H    ARG   7           H        ARG   7  -1.501   4.855   5.512
   45    HA   ARG   7           HA       ARG   7  -2.592   6.325   3.203
   46    HB2  ARG   7          2HB       ARG   7  -3.119   6.561   6.149
   47    HB3  ARG   7          3HB       ARG   7  -3.382   7.936   5.086
   48    HG2  ARG   7          2HG       ARG   7  -4.706   6.007   3.736
   49    HG3  ARG   7          3HG       ARG   7  -4.931   5.463   5.400
   50    HD2  ARG   7          2HD       ARG   7  -6.536   6.974   5.653
   51    HD3  ARG   7          3HD       ARG   7  -5.351   8.251   5.381
   52    HE   ARG   7           HE       ARG   7  -6.051   7.381   2.878
   53   HH11  ARG   7          1HH1      ARG   7  -7.740   8.677   5.633
   54   HH12  ARG   7          2HH1      ARG   7  -8.983   9.423   4.684
   55   HH21  ARG   7          1HH2      ARG   7  -7.682   8.359   1.618
   56   HH22  ARG   7          2HH2      ARG   7  -8.949   9.241   2.401
   57    H    LYS   8           H        LYS   8  -1.211   7.467   6.260
   58    HA   LYS   8           HA       LYS   8   0.925   8.794   4.728
   59    HB2  LYS   8          2HB       LYS   8   0.719  10.757   6.149
   60    HB3  LYS   8          3HB       LYS   8  -0.816  10.421   5.358
   61    HG2  LYS   8          2HG       LYS   8  -0.285   9.386   8.110
   62    HG3  LYS   8          3HG       LYS   8  -0.784  11.061   7.862
   63    HD2  LYS   8          2HD       LYS   8  -2.622   9.870   6.348
   64    HD3  LYS   8          3HD       LYS   8  -2.301   8.541   7.465
   65    HE2  LYS   8          2HE       LYS   8  -4.045   9.712   8.477
   66    HE3  LYS   8          3HE       LYS   8  -2.607  10.291   9.317
   67    HZ1  LYS   8          1HZ       LYS   8  -4.290  12.012   8.556
   68    HZ2  LYS   8          2HZ       LYS   8  -3.722  11.729   6.988
   69    HZ3  LYS   8          3HZ       LYS   8  -2.667  12.308   8.177
   70    H    CYS   9           H        CYS   9   0.988   6.281   6.172
   71    HA   CYS   9           HA       CYS   9   2.926   6.989   8.276
   72    HB2  CYS   9          2HB       CYS   9   1.215   4.497   8.200
   73    HB3  CYS   9          3HB       CYS   9   2.290   5.003   9.498
   74    HG   CYS   9           HG       CYS   9  -0.822   6.068   8.756
   75    HA   PRO  10           HA       PRO  10   5.123   4.657   4.928
   76    HB2  PRO  10          2HB       PRO  10   7.319   6.253   4.945
   77    HB3  PRO  10          3HB       PRO  10   5.879   6.611   3.984
   78    HG2  PRO  10          2HG       PRO  10   6.711   7.723   6.635
   79    HG3  PRO  10          3HG       PRO  10   6.029   8.567   5.232
   80    HD2  PRO  10          2HD       PRO  10   4.539   7.883   7.387
   81    HD3  PRO  10          3HD       PRO  10   3.872   7.935   5.743
   82    H    LEU  11           H        LEU  11   6.344   2.948   5.431
   83    HA   LEU  11           HA       LEU  11   7.979   3.068   7.880
   84    HB2  LEU  11          2HB       LEU  11   7.597   0.536   7.908
   85    HB3  LEU  11          3HB       LEU  11   6.279   1.586   8.425
   86    HG   LEU  11           HG       LEU  11   6.383   0.580   5.607
   87   HD11  LEU  11          1HD1      LEU  11   6.502  -1.196   7.653
   88   HD12  LEU  11          2HD1      LEU  11   5.716  -1.503   6.105
   89   HD13  LEU  11          3HD1      LEU  11   4.759  -0.977   7.490
   90   HD21  LEU  11          1HD2      LEU  11   4.341   1.459   5.470
   91   HD22  LEU  11          2HD2      LEU  11   4.694   2.266   6.998
   92   HD23  LEU  11          3HD2      LEU  11   3.836   0.725   6.992
   93    H    PHE  12           H        PHE  12   8.701   3.651   5.075
   94    HA   PHE  12           HA       PHE  12  10.802   1.609   4.762
   95    HB2  PHE  12          2HB       PHE  12   9.859   3.175   2.401
   96    HB3  PHE  12          3HB       PHE  12  10.548   1.557   2.468
   97    HD1  PHE  12           HD1      PHE  12   7.512   3.419   3.569
   98    HD2  PHE  12           HD2      PHE  12   9.155  -0.241   2.149
   99    HE1  PHE  12           HE1      PHE  12   5.251   2.457   3.444
  100    HE2  PHE  12           HE2      PHE  12   6.897  -1.209   2.020
  101    HZ   PHE  12           HZ       PHE  12   4.941   0.141   2.667
  102    H    GLY  13           H        GLY  13  10.774   4.194   6.217
  103    HA2  GLY  13          2HA       GLY  13  12.782   5.668   4.635
  104    HA3  GLY  13          3HA       GLY  13  11.790   6.376   5.901
  Start of MODEL    5
    1    H1   VAL   1           H        VAL   1   1.835   0.154   0.862
    2    HA   VAL   1           HA       VAL   1   1.249   0.182  -2.027
    3    HB   VAL   1           HB       VAL   1   3.463   1.653  -0.592
    4   HG11  VAL   1          1HG1      VAL   1   3.997   2.539  -2.859
    5   HG12  VAL   1          2HG1      VAL   1   4.327   0.816  -2.665
    6   HG13  VAL   1          3HG1      VAL   1   2.886   1.348  -3.534
    7   HG21  VAL   1          1HG2      VAL   1   1.560   3.056  -2.356
    8   HG22  VAL   1          2HG2      VAL   1   0.907   2.455  -0.832
    9   HG23  VAL   1          3HG2      VAL   1   2.278   3.564  -0.828
   10    H    ALA   2           H        ALA   2   3.832  -0.475   0.341
   11    HA   ALA   2           HA       ALA   2   4.664  -2.745  -1.348
   12    HB1  ALA   2          1HB       ALA   2   6.555  -1.525  -1.537
   13    HB2  ALA   2          2HB       ALA   2   6.244  -0.611  -0.060
   14    HB3  ALA   2          3HB       ALA   2   6.910  -2.241   0.035
   15    H    ARG   3           H        ARG   3   4.893  -1.527   2.001
   16    HA   ARG   3           HA       ARG   3   4.443  -4.290   2.924
   17    HB2  ARG   3          2HB       ARG   3   6.290  -2.158   3.945
   18    HB3  ARG   3          3HB       ARG   3   5.687  -3.400   5.035
   19    HG2  ARG   3          2HG       ARG   3   7.035  -4.969   4.188
   20    HG3  ARG   3          3HG       ARG   3   6.768  -4.440   2.525
   21    HD2  ARG   3          2HD       ARG   3   8.561  -3.060   2.536
   22    HD3  ARG   3          3HD       ARG   3   8.344  -2.620   4.229
   23    HE   ARG   3           HE       ARG   3  10.059  -4.638   3.203
   24   HH11  ARG   3          1HH1      ARG   3   8.004  -3.856   5.902
   25   HH12  ARG   3          2HH1      ARG   3   8.878  -4.847   7.023
   26   HH21  ARG   3          1HH2      ARG   3  11.218  -5.946   4.669
   27   HH22  ARG   3          2HH2      ARG   3  10.707  -6.035   6.321
   28    H    GLY   4           H        GLY   4   4.474  -1.120   4.547
   29    HA2  GLY   4          2HA       GLY   4   1.732  -1.707   5.483
   30    HA3  GLY   4          3HA       GLY   4   2.938  -0.888   6.465
   31    H    TRP   5           H        TRP   5   3.334   0.194   3.378
   32    HA   TRP   5           HA       TRP   5   2.600   2.808   3.868
   33    HB2  TRP   5          2HB       TRP   5   3.695   1.400   1.727
   34    HB3  TRP   5          3HB       TRP   5   2.227   2.118   1.068
   35    HD1  TRP   5           HD1      TRP   5   5.352   2.992   0.435
   36    HE1  TRP   5           HE1      TRP   5   5.941   5.486   0.675
   37    HE3  TRP   5           HE3      TRP   5   1.485   4.452   3.443
   38    HZ2  TRP   5           HZ2      TRP   5   4.903   7.770   1.969
   39    HZ3  TRP   5           HZ3      TRP   5   1.356   6.809   4.137
   40    HH2  TRP   5           HH2      TRP   5   3.031   8.432   3.415
   41    H    GLY   6           H        GLY   6   0.582   3.014   4.813
   42    HA2  GLY   6          2HA       GLY   6  -1.750   2.061   3.322
   43    HA3  GLY   6          3HA       GLY   6  -1.757   2.699   4.960
   44    H    ARG   7           H        ARG   7  -1.470   5.020   5.229
   45    HA   ARG   7           HA       ARG   7  -2.483   6.510   2.896
   46    HB2  ARG   7          2HB       ARG   7  -3.190   6.592   5.787
   47    HB3  ARG   7          3HB       ARG   7  -3.219   8.110   4.899
   48    HG2  ARG   7          2HG       ARG   7  -4.582   6.432   3.224
   49    HG3  ARG   7          3HG       ARG   7  -5.063   5.855   4.821
   50    HD2  ARG   7          2HD       ARG   7  -5.484   8.324   5.370
   51    HD3  ARG   7          3HD       ARG   7  -5.402   8.588   3.628
   52    HE   ARG   7           HE       ARG   7  -7.462   7.605   3.411
   53   HH11  ARG   7          1HH1      ARG   7  -6.190   6.936   6.582
   54   HH12  ARG   7          2HH1      ARG   7  -7.667   6.248   7.172
   55   HH21  ARG   7          1HH2      ARG   7  -9.412   6.702   4.177
   56   HH22  ARG   7          2HH2      ARG   7  -9.499   6.115   5.803
   57    H    LYS   8           H        LYS   8  -1.191   7.625   6.002
   58    HA   LYS   8           HA       LYS   8   0.999   8.950   4.545
   59    HB2  LYS   8          2HB       LYS   8   0.760  10.905   5.972
   60    HB3  LYS   8          3HB       LYS   8  -0.751  10.583   5.131
   61    HG2  LYS   8          2HG       LYS   8  -0.313   9.527   7.891
   62    HG3  LYS   8          3HG       LYS   8  -0.794  11.207   7.639
   63    HD2  LYS   8          2HD       LYS   8  -2.591  10.035   6.061
   64    HD3  LYS   8          3HD       LYS   8  -2.312   8.698   7.179
   65    HE2  LYS   8          2HE       LYS   8  -4.036   9.819   8.218
   66    HE3  LYS   8          3HE       LYS   8  -2.628  10.529   9.006
   67    HZ1  LYS   8          1HZ       LYS   8  -3.267  11.971   6.659
   68    HZ2  LYS   8          2HZ       LYS   8  -3.201  12.518   8.257
   69    HZ3  LYS   8          3HZ       LYS   8  -4.635  11.858   7.648
   70    H    CYS   9           H        CYS   9   1.003   6.427   5.974
   71    HA   CYS   9           HA       CYS   9   2.880   7.111   8.141
   72    HB2  CYS   9          2HB       CYS   9   0.705   5.075   8.006
   73    HB3  CYS   9          3HB       CYS   9   2.166   4.662   8.894
   74    HG   CYS   9           HG       CYS   9   1.692   7.440  10.158
   75    HA   PRO  10           HA       PRO  10   5.165   4.787   4.847
   76    HB2  PRO  10          2HB       PRO  10   7.369   6.370   4.941
   77    HB3  PRO  10          3HB       PRO  10   5.961   6.742   3.939
   78    HG2  PRO  10          2HG       PRO  10   6.717   7.834   6.621
   79    HG3  PRO  10          3HG       PRO  10   6.084   8.689   5.203
   80    HD2  PRO  10          2HD       PRO  10   4.524   8.001   7.307
   81    HD3  PRO  10          3HD       PRO  10   3.908   8.067   5.643
   82    H    LEU  11           H        LEU  11   6.361   3.068   5.376
   83    HA   LEU  11           HA       LEU  11   7.920   3.163   7.875
   84    HB2  LEU  11          2HB       LEU  11   7.523   0.634   7.875
   85    HB3  LEU  11          3HB       LEU  11   6.196   1.688   8.358
   86    HG   LEU  11           HG       LEU  11   6.381   0.698   5.539
   87   HD11  LEU  11          1HD1      LEU  11   5.686  -1.383   6.005
   88   HD12  LEU  11          2HD1      LEU  11   4.691  -0.859   7.363
   89   HD13  LEU  11          3HD1      LEU  11   6.426  -1.090   7.579
   90   HD21  LEU  11          1HD2      LEU  11   3.793   0.850   6.845
   91   HD22  LEU  11          2HD2      LEU  11   4.349   1.592   5.344
   92   HD23  LEU  11          3HD2      LEU  11   4.659   2.386   6.888
   93    H    PHE  12           H        PHE  12   8.732   3.760   5.096
   94    HA   PHE  12           HA       PHE  12  10.829   1.707   4.836
   95    HB2  PHE  12          2HB       PHE  12   9.967   3.293   2.456
   96    HB3  PHE  12          3HB       PHE  12  10.645   1.670   2.534
   97    HD1  PHE  12           HD1      PHE  12   7.588   3.543   3.554
   98    HD2  PHE  12           HD2      PHE  12   9.252  -0.118   2.161
   99    HE1  PHE  12           HE1      PHE  12   5.326   2.595   3.354
  100    HE2  PHE  12           HE2      PHE  12   6.993  -1.071   1.957
  101    HZ   PHE  12           HZ       PHE  12   5.027   0.286   2.553
  102    H    GLY  13           H        GLY  13  10.757   4.296   6.296
  103    HA2  GLY  13          2HA       GLY  13  12.466   6.071   4.782
  104    HA3  GLY  13          3HA       GLY  13  11.939   6.291   6.444
  Start of MODEL    6
    1    H1   VAL   1           H        VAL   1   1.854   0.121   1.012
    2    HA   VAL   1           HA       VAL   1   1.417   0.037  -1.902
    3    HB   VAL   1           HB       VAL   1   3.617   1.482  -0.419
    4   HG11  VAL   1          1HG1      VAL   1   3.177   1.064  -3.372
    5   HG12  VAL   1          2HG1      VAL   1   4.307   2.236  -2.691
    6   HG13  VAL   1          3HG1      VAL   1   4.545   0.512  -2.405
    7   HG21  VAL   1          1HG2      VAL   1   1.115   2.376  -0.827
    8   HG22  VAL   1          2HG2      VAL   1   2.531   3.428  -0.804
    9   HG23  VAL   1          3HG2      VAL   1   1.866   2.877  -2.342
   10    H    ALA   2           H        ALA   2   3.844  -0.615   0.626
   11    HA   ALA   2           HA       ALA   2   4.662  -2.993  -0.913
   12    HB1  ALA   2          1HB       ALA   2   6.613  -1.867  -1.056
   13    HB2  ALA   2          2HB       ALA   2   6.265  -0.866   0.355
   14    HB3  ALA   2          3HB       ALA   2   6.853  -2.515   0.567
   15    H    ARG   3           H        ARG   3   4.773  -1.631   2.385
   16    HA   ARG   3           HA       ARG   3   4.156  -4.327   3.405
   17    HB2  ARG   3          2HB       ARG   3   6.064  -2.242   4.395
   18    HB3  ARG   3          3HB       ARG   3   5.324  -3.352   5.541
   19    HG2  ARG   3          2HG       ARG   3   7.029  -4.704   5.087
   20    HG3  ARG   3          3HG       ARG   3   6.205  -5.032   3.561
   21    HD2  ARG   3          2HD       ARG   3   7.651  -3.770   2.352
   22    HD3  ARG   3          3HD       ARG   3   7.899  -2.612   3.659
   23    HE   ARG   3           HE       ARG   3   9.117  -4.879   4.543
   24   HH11  ARG   3          1HH1      ARG   3   9.372  -2.931   1.668
   25   HH12  ARG   3          2HH1      ARG   3  11.047  -3.296   1.412
   26   HH21  ARG   3          1HH2      ARG   3  11.321  -5.367   4.216
   27   HH22  ARG   3          2HH2      ARG   3  12.154  -4.683   2.862
   28    H    GLY   4           H        GLY   4   4.243  -1.088   4.882
   29    HA2  GLY   4          2HA       GLY   4   1.434  -1.517   5.699
   30    HA3  GLY   4          3HA       GLY   4   2.623  -0.704   6.706
   31    H    TRP   5           H        TRP   5   3.222   0.216   3.598
   32    HA   TRP   5           HA       TRP   5   2.581   2.878   3.933
   33    HB2  TRP   5          2HB       TRP   5   3.718   1.327   1.917
   34    HB3  TRP   5          3HB       TRP   5   2.320   2.075   1.150
   35    HD1  TRP   5           HD1      TRP   5   5.509   2.786   0.645
   36    HE1  TRP   5           HE1      TRP   5   6.194   5.262   0.805
   37    HE3  TRP   5           HE3      TRP   5   1.563   4.546   3.378
   38    HZ2  TRP   5           HZ2      TRP   5   5.195   7.645   1.941
   39    HZ3  TRP   5           HZ3      TRP   5   1.504   6.936   3.960
   40    HH2  TRP   5           HH2      TRP   5   3.284   8.452   3.255
   41    H    GLY   6           H        GLY   6   0.528   3.214   4.760
   42    HA2  GLY   6          2HA       GLY   6  -1.765   2.290   3.192
   43    HA3  GLY   6          3HA       GLY   6  -1.827   3.002   4.797
   44    H    ARG   7           H        ARG   7  -1.448   5.320   4.978
   45    HA   ARG   7           HA       ARG   7  -2.276   6.741   2.533
   46    HB2  ARG   7          2HB       ARG   7  -3.040   7.108   5.410
   47    HB3  ARG   7          3HB       ARG   7  -3.127   8.465   4.295
   48    HG2  ARG   7          2HG       ARG   7  -4.722   7.337   2.929
   49    HG3  ARG   7          3HG       ARG   7  -4.508   5.834   3.830
   50    HD2  ARG   7          2HD       ARG   7  -5.210   7.383   5.859
   51    HD3  ARG   7          3HD       ARG   7  -5.978   8.309   4.570
   52    HE   ARG   7           HE       ARG   7  -6.722   5.672   4.196
   53   HH11  ARG   7          1HH1      ARG   7  -7.081   8.115   6.650
   54   HH12  ARG   7          2HH1      ARG   7  -8.594   7.499   7.227
   55   HH21  ARG   7          1HH2      ARG   7  -8.714   4.851   4.946
   56   HH22  ARG   7          2HH2      ARG   7  -9.522   5.642   6.257
   57    H    LYS   8           H        LYS   8  -1.096   7.943   5.650
   58    HA   LYS   8           HA       LYS   8   1.222   9.106   4.254
   59    HB2  LYS   8          2HB       LYS   8   0.997  11.133   5.580
   60    HB3  LYS   8          3HB       LYS   8  -0.481  10.837   4.674
   61    HG2  LYS   8          2HG       LYS   8  -0.233   9.891   7.497
   62    HG3  LYS   8          3HG       LYS   8  -0.625  11.576   7.147
   63    HD2  LYS   8          2HD       LYS   8  -2.388  10.410   5.526
   64    HD3  LYS   8          3HD       LYS   8  -2.229   9.116   6.716
   65    HE2  LYS   8          2HE       LYS   8  -2.484  11.245   8.350
   66    HE3  LYS   8          3HE       LYS   8  -3.431  11.799   6.970
   67    HZ1  LYS   8          1HZ       LYS   8  -4.929  10.680   8.353
   68    HZ2  LYS   8          2HZ       LYS   8  -3.868   9.394   8.638
   69    HZ3  LYS   8          3HZ       LYS   8  -4.592   9.573   7.119
   70    H    CYS   9           H        CYS   9   1.042   6.655   5.791
   71    HA   CYS   9           HA       CYS   9   2.835   7.358   8.021
   72    HB2  CYS   9          2HB       CYS   9   0.918   5.022   7.864
   73    HB3  CYS   9          3HB       CYS   9   2.023   5.351   9.193
   74    HG   CYS   9           HG       CYS   9   0.561   8.072   9.196
   75    HA   PRO  10           HA       PRO  10   5.179   4.791   4.957
   76    HB2  PRO  10          2HB       PRO  10   7.443   6.284   5.097
   77    HB3  PRO  10          3HB       PRO  10   6.105   6.667   4.007
   78    HG2  PRO  10          2HG       PRO  10   6.772   7.849   6.675
   79    HG3  PRO  10          3HG       PRO  10   6.249   8.664   5.189
   80    HD2  PRO  10          2HD       PRO  10   4.557   8.140   7.237
   81    HD3  PRO  10          3HD       PRO  10   4.029   8.154   5.541
   82    H    LEU  11           H        LEU  11   6.268   3.050   5.624
   83    HA   LEU  11           HA       LEU  11   7.703   3.196   8.194
   84    HB2  LEU  11          2HB       LEU  11   7.194   0.688   8.286
   85    HB3  LEU  11          3HB       LEU  11   5.893   1.818   8.651
   86    HG   LEU  11           HG       LEU  11   6.176   0.691   5.893
   87   HD11  LEU  11          1HD1      LEU  11   6.039  -1.001   8.007
   88   HD12  LEU  11          2HD1      LEU  11   5.366  -1.335   6.412
   89   HD13  LEU  11          3HD1      LEU  11   4.328  -0.707   7.692
   90   HD21  LEU  11          1HD2      LEU  11   4.465   2.511   7.073
   91   HD22  LEU  11          2HD2      LEU  11   3.534   1.013   7.055
   92   HD23  LEU  11          3HD2      LEU  11   4.197   1.658   5.553
   93    H    PHE  12           H        PHE  12   8.679   3.628   5.439
   94    HA   PHE  12           HA       PHE  12  10.693   1.479   5.379
   95    HB2  PHE  12          2HB       PHE  12  10.024   2.988   2.890
   96    HB3  PHE  12          3HB       PHE  12  10.625   1.344   3.075
   97    HD1  PHE  12           HD1      PHE  12   7.606   3.389   3.850
   98    HD2  PHE  12           HD2      PHE  12   9.175  -0.399   2.708
   99    HE1  PHE  12           HE1      PHE  12   5.318   2.528   3.573
  100    HE2  PHE  12           HE2      PHE  12   6.889  -1.266   2.429
  101    HZ   PHE  12           HZ       PHE  12   4.957   0.199   2.860
  102    H    GLY  13           H        GLY  13  10.664   4.132   6.719
  103    HA2  GLY  13          2HA       GLY  13  12.347   5.916   5.286
  104    HA3  GLY  13          3HA       GLY  13  12.038   5.953   7.015
  Start of MODEL    7
    1    H1   VAL   1           H        VAL   1   1.884   0.008   1.092
    2    HA   VAL   1           HA       VAL   1   1.314  -0.057  -1.800
    3    HB   VAL   1           HB       VAL   1   3.507   1.477  -0.397
    4   HG11  VAL   1          1HG1      VAL   1   4.042   2.301  -2.689
    5   HG12  VAL   1          2HG1      VAL   1   4.391   0.589  -2.439
    6   HG13  VAL   1          3HG1      VAL   1   2.949   1.075  -3.332
    7   HG21  VAL   1          1HG2      VAL   1   0.946   2.248  -0.674
    8   HG22  VAL   1          2HG2      VAL   1   2.306   3.370  -0.697
    9   HG23  VAL   1          3HG2      VAL   1   1.600   2.810  -2.213
   10    H    ALA   2           H        ALA   2   3.890  -0.619   0.600
   11    HA   ALA   2           HA       ALA   2   4.751  -2.930  -1.015
   12    HB1  ALA   2          1HB       ALA   2   6.304  -0.745   0.218
   13    HB2  ALA   2          2HB       ALA   2   6.986  -2.366   0.361
   14    HB3  ALA   2          3HB       ALA   2   6.631  -1.696  -1.231
   15    H    ARG   3           H        ARG   3   4.950  -1.610   2.296
   16    HA   ARG   3           HA       ARG   3   4.521  -4.348   3.300
   17    HB2  ARG   3          2HB       ARG   3   6.268  -2.141   4.379
   18    HB3  ARG   3          3HB       ARG   3   5.776  -3.515   5.361
   19    HG2  ARG   3          2HG       ARG   3   7.176  -4.938   4.316
   20    HG3  ARG   3          3HG       ARG   3   6.968  -4.161   2.745
   21    HD2  ARG   3          2HD       ARG   3   8.665  -2.693   3.094
   22    HD3  ARG   3          3HD       ARG   3   8.372  -2.603   4.831
   23    HE   ARG   3           HE       ARG   3   9.856  -4.324   5.143
   24   HH11  ARG   3          1HH1      ARG   3   9.041  -4.094   1.766
   25   HH12  ARG   3          2HH1      ARG   3  10.253  -5.224   1.262
   26   HH21  ARG   3          1HH2      ARG   3  11.456  -5.814   4.491
   27   HH22  ARG   3          2HH2      ARG   3  11.626  -6.202   2.813
   28    H    GLY   4           H        GLY   4   4.514  -1.132   4.828
   29    HA2  GLY   4          2HA       GLY   4   1.772  -1.716   5.766
   30    HA3  GLY   4          3HA       GLY   4   2.965  -0.857   6.730
   31    H    TRP   5           H        TRP   5   3.368   0.137   3.614
   32    HA   TRP   5           HA       TRP   5   2.608   2.757   4.021
   33    HB2  TRP   5          2HB       TRP   5   3.727   1.296   1.930
   34    HB3  TRP   5          3HB       TRP   5   2.257   1.980   1.241
   35    HD1  TRP   5           HD1      TRP   5   5.378   2.864   0.601
   36    HE1  TRP   5           HE1      TRP   5   5.942   5.370   0.769
   37    HE3  TRP   5           HE3      TRP   5   1.479   4.378   3.541
   38    HZ2  TRP   5           HZ2      TRP   5   4.875   7.682   1.988
   39    HZ3  TRP   5           HZ3      TRP   5   1.324   6.753   4.163
   40    HH2  TRP   5           HH2      TRP   5   2.989   8.369   3.402
   41    H    GLY   6           H        GLY   6   0.582   2.973   4.949
   42    HA2  GLY   6          2HA       GLY   6  -1.732   1.953   3.474
   43    HA3  GLY   6          3HA       GLY   6  -1.755   2.640   5.092
   44    H    ARG   7           H        ARG   7  -1.492   4.970   5.294
   45    HA   ARG   7           HA       ARG   7  -2.505   6.380   2.912
   46    HB2  ARG   7          2HB       ARG   7  -3.157   6.654   5.825
   47    HB3  ARG   7          3HB       ARG   7  -3.348   8.034   4.752
   48    HG2  ARG   7          2HG       ARG   7  -4.793   6.562   3.305
   49    HG3  ARG   7          3HG       ARG   7  -4.754   5.384   4.618
   50    HD2  ARG   7          2HD       ARG   7  -6.481   6.454   5.520
   51    HD3  ARG   7          3HD       ARG   7  -5.394   7.805   5.839
   52    HE   ARG   7           HE       ARG   7  -6.171   8.213   3.276
   53   HH11  ARG   7          1HH1      ARG   7  -7.887   7.675   6.256
   54   HH12  ARG   7          2HH1      ARG   7  -9.267   8.609   5.782
   55   HH21  ARG   7          1HH2      ARG   7  -7.982   9.445   2.640
   56   HH22  ARG   7          2HH2      ARG   7  -9.320   9.614   3.725
   57    H    LYS   8           H        LYS   8  -1.241   7.600   5.989
   58    HA   LYS   8           HA       LYS   8   0.945   8.901   4.504
   59    HB2  LYS   8          2HB       LYS   8   0.680  10.896   5.870
   60    HB3  LYS   8          3HB       LYS   8  -0.824  10.535   5.031
   61    HG2  LYS   8          2HG       LYS   8  -0.391   9.567   7.825
   62    HG3  LYS   8          3HG       LYS   8  -0.886  11.234   7.518
   63    HD2  LYS   8          2HD       LYS   8  -2.663   9.997   5.967
   64    HD3  LYS   8          3HD       LYS   8  -2.378   8.698   7.127
   65    HE2  LYS   8          2HE       LYS   8  -2.882  10.274   8.960
   66    HE3  LYS   8          3HE       LYS   8  -3.243  11.518   7.764
   67    HZ1  LYS   8          1HZ       LYS   8  -5.044  10.180   6.928
   68    HZ2  LYS   8          2HZ       LYS   8  -5.242  10.402   8.593
   69    HZ3  LYS   8          3HZ       LYS   8  -4.671   8.924   7.998
   70    H    CYS   9           H        CYS   9   0.965   6.423   6.009
   71    HA   CYS   9           HA       CYS   9   2.822   7.190   8.164
   72    HB2  CYS   9          2HB       CYS   9   0.770   4.996   8.051
   73    HB3  CYS   9          3HB       CYS   9   2.166   4.867   9.113
   74    HG   CYS   9           HG       CYS   9   1.504   6.803  10.826
   75    HA   PRO  10           HA       PRO  10   5.148   4.789   4.955
   76    HB2  PRO  10          2HB       PRO  10   7.337   6.394   5.013
   77    HB3  PRO  10          3HB       PRO  10   5.931   6.722   3.992
   78    HG2  PRO  10          2HG       PRO  10   6.662   7.902   6.645
   79    HG3  PRO  10          3HG       PRO  10   6.029   8.708   5.199
   80    HD2  PRO  10          2HD       PRO  10   4.464   8.070   7.314
   81    HD3  PRO  10          3HD       PRO  10   3.857   8.079   5.645
   82    H    LEU  11           H        LEU  11   6.356   3.098   5.542
   83    HA   LEU  11           HA       LEU  11   7.900   3.282   8.046
   84    HB2  LEU  11          2HB       LEU  11   7.526   0.750   8.120
   85    HB3  LEU  11          3HB       LEU  11   6.187   1.806   8.563
   86    HG   LEU  11           HG       LEU  11   6.397   0.734   5.777
   87   HD11  LEU  11          1HD1      LEU  11   5.719  -1.338   6.300
   88   HD12  LEU  11          2HD1      LEU  11   4.712  -0.784   7.637
   89   HD13  LEU  11          3HD1      LEU  11   6.448  -0.992   7.868
   90   HD21  LEU  11          1HD2      LEU  11   4.358   1.601   5.544
   91   HD22  LEU  11          2HD2      LEU  11   4.652   2.446   7.064
   92   HD23  LEU  11          3HD2      LEU  11   3.801   0.901   7.064
   93    H    PHE  12           H        PHE  12   8.722   3.803   5.255
   94    HA   PHE  12           HA       PHE  12  10.839   1.762   5.068
   95    HB2  PHE  12          2HB       PHE  12   9.978   3.269   2.637
   96    HB3  PHE  12          3HB       PHE  12  10.671   1.656   2.768
   97    HD1  PHE  12           HD1      PHE  12   9.297  -0.155   2.439
   98    HD2  PHE  12           HD2      PHE  12   7.589   3.530   3.714
   99    HE1  PHE  12           HE1      PHE  12   7.048  -1.135   2.250
  100    HE2  PHE  12           HE2      PHE  12   5.338   2.555   3.528
  101    HZ   PHE  12           HZ       PHE  12   5.065   0.219   2.796
  102    H    GLY  13           H        GLY  13  10.749   4.381   6.459
  103    HA2  GLY  13          2HA       GLY  13  12.094   6.403   5.110
  104    HA3  GLY  13          3HA       GLY  13  12.198   6.120   6.842
  Start of MODEL    8
    1    H1   VAL   1           H        VAL   1   1.785   0.126   1.010
    2    HA   VAL   1           HA       VAL   1   1.335   0.031  -1.902
    3    HB   VAL   1           HB       VAL   1   3.551   1.467  -0.435
    4   HG11  VAL   1          1HG1      VAL   1   4.233   2.208  -2.715
    5   HG12  VAL   1          2HG1      VAL   1   4.467   0.484  -2.420
    6   HG13  VAL   1          3HG1      VAL   1   3.097   1.037  -3.383
    7   HG21  VAL   1          1HG2      VAL   1   2.476   3.416  -0.822
    8   HG22  VAL   1          2HG2      VAL   1   1.805   2.868  -2.358
    9   HG23  VAL   1          3HG2      VAL   1   1.052   2.377  -0.841
   10    H    ALA   2           H        ALA   2   3.770  -0.625   0.619
   11    HA   ALA   2           HA       ALA   2   4.564  -3.016  -0.913
   12    HB1  ALA   2          1HB       ALA   2   6.766  -2.550   0.552
   13    HB2  ALA   2          2HB       ALA   2   6.521  -1.899  -1.069
   14    HB3  ALA   2          3HB       ALA   2   6.188  -0.897   0.344
   15    H    ARG   3           H        ARG   3   4.698  -1.639   2.379
   16    HA   ARG   3           HA       ARG   3   4.068  -4.325   3.414
   17    HB2  ARG   3          2HB       ARG   3   5.977  -2.238   4.409
   18    HB3  ARG   3          3HB       ARG   3   5.255  -3.377   5.538
   19    HG2  ARG   3          2HG       ARG   3   6.960  -4.714   5.047
   20    HG3  ARG   3          3HG       ARG   3   6.147  -5.000   3.507
   21    HD2  ARG   3          2HD       ARG   3   7.563  -3.639   2.348
   22    HD3  ARG   3          3HD       ARG   3   7.859  -2.588   3.733
   23    HE   ARG   3           HE       ARG   3   8.991  -5.090   4.265
   24   HH11  ARG   3          1HH1      ARG   3   9.429  -2.381   2.122
   25   HH12  ARG   3          2HH1      ARG   3  11.134  -2.629   1.946
   26   HH21  ARG   3          1HH2      ARG   3  11.236  -5.427   4.041
   27   HH22  ARG   3          2HH2      ARG   3  12.161  -4.362   3.037
   28    H    GLY   4           H        GLY   4   4.183  -1.081   4.878
   29    HA2  GLY   4          2HA       GLY   4   1.375  -1.488   5.708
   30    HA3  GLY   4          3HA       GLY   4   2.574  -0.677   6.705
   31    H    TRP   5           H        TRP   5   3.165   0.223   3.591
   32    HA   TRP   5           HA       TRP   5   2.542   2.892   3.915
   33    HB2  TRP   5          2HB       TRP   5   3.662   1.324   1.902
   34    HB3  TRP   5          3HB       TRP   5   2.265   2.076   1.137
   35    HD1  TRP   5           HD1      TRP   5   5.456   2.765   0.616
   36    HE1  TRP   5           HE1      TRP   5   6.157   5.238   0.761
   37    HE3  TRP   5           HE3      TRP   5   1.531   4.563   3.355
   38    HZ2  TRP   5           HZ2      TRP   5   5.176   7.633   1.887
   39    HZ3  TRP   5           HZ3      TRP   5   1.488   6.956   3.924
   40    HH2  TRP   5           HH2      TRP   5   3.274   8.458   3.205
   41    H    GLY   6           H        GLY   6   0.494   3.242   4.749
   42    HA2  GLY   6          2HA       GLY   6  -1.810   2.325   3.195
   43    HA3  GLY   6          3HA       GLY   6  -1.861   3.047   4.797
   44    H    ARG   7           H        ARG   7  -1.472   5.363   4.965
   45    HA   ARG   7           HA       ARG   7  -2.299   6.775   2.514
   46    HB2  ARG   7          2HB       ARG   7  -3.163   7.007   5.345
   47    HB3  ARG   7          3HB       ARG   7  -3.022   8.506   4.435
   48    HG2  ARG   7          2HG       ARG   7  -4.725   7.952   2.994
   49    HG3  ARG   7          3HG       ARG   7  -4.527   6.218   3.258
   50    HD2  ARG   7          2HD       ARG   7  -5.209   6.985   5.740
   51    HD3  ARG   7          3HD       ARG   7  -6.052   8.220   4.806
   52    HE   ARG   7           HE       ARG   7  -6.721   5.878   3.584
   53   HH11  ARG   7          1HH1      ARG   7  -6.926   7.089   6.841
   54   HH12  ARG   7          2HH1      ARG   7  -8.334   6.161   7.237
   55   HH21  ARG   7          1HH2      ARG   7  -8.575   4.651   4.093
   56   HH22  ARG   7          2HH2      ARG   7  -9.271   4.774   5.673
   57    H    LYS   8           H        LYS   8  -1.099   7.988   5.620
   58    HA   LYS   8           HA       LYS   8   1.220   9.129   4.208
   59    HB2  LYS   8          2HB       LYS   8   1.013  11.165   5.522
   60    HB3  LYS   8          3HB       LYS   8  -0.472  10.872   4.626
   61    HG2  LYS   8          2HG       LYS   8  -0.215   9.942   7.453
   62    HG3  LYS   8          3HG       LYS   8  -0.599  11.627   7.095
   63    HD2  LYS   8          2HD       LYS   8  -2.377  10.461   5.490
   64    HD3  LYS   8          3HD       LYS   8  -2.218   9.173   6.686
   65    HE2  LYS   8          2HE       LYS   8  -2.832  12.052   7.340
   66    HE3  LYS   8          3HE       LYS   8  -4.046  10.783   7.180
   67    HZ1  LYS   8          1HZ       LYS   8  -2.268  11.350   9.365
   68    HZ2  LYS   8          2HZ       LYS   8  -2.271   9.718   8.923
   69    HZ3  LYS   8          3HZ       LYS   8  -3.720  10.480   9.350
   70    H    CYS   9           H        CYS   9   1.032   6.687   5.758
   71    HA   CYS   9           HA       CYS   9   2.838   7.392   7.978
   72    HB2  CYS   9          2HB       CYS   9   0.759   5.209   7.816
   73    HB3  CYS   9          3HB       CYS   9   2.025   5.233   9.037
   74    HG   CYS   9           HG       CYS   9   0.783   6.751  10.687
   75    HA   PRO  10           HA       PRO  10   5.155   4.795   4.918
   76    HB2  PRO  10          2HB       PRO  10   7.428   6.274   5.042
   77    HB3  PRO  10          3HB       PRO  10   6.089   6.660   3.955
   78    HG2  PRO  10          2HG       PRO  10   6.773   7.852   6.614
   79    HG3  PRO  10          3HG       PRO  10   6.250   8.662   5.126
   80    HD2  PRO  10          2HD       PRO  10   4.562   8.159   7.183
   81    HD3  PRO  10          3HD       PRO  10   4.028   8.168   5.490
   82    H    LEU  11           H        LEU  11   6.236   3.050   5.590
   83    HA   LEU  11           HA       LEU  11   7.681   3.201   8.155
   84    HB2  LEU  11          2HB       LEU  11   7.159   0.697   8.261
   85    HB3  LEU  11          3HB       LEU  11   5.865   1.837   8.625
   86    HG   LEU  11           HG       LEU  11   6.131   0.694   5.872
   87   HD11  LEU  11          1HD1      LEU  11   4.283  -0.684   7.685
   88   HD12  LEU  11          2HD1      LEU  11   5.992  -0.986   7.996
   89   HD13  LEU  11          3HD1      LEU  11   5.313  -1.325   6.404
   90   HD21  LEU  11          1HD2      LEU  11   3.496   1.036   7.039
   91   HD22  LEU  11          2HD2      LEU  11   4.157   1.671   5.533
   92   HD23  LEU  11          3HD2      LEU  11   4.435   2.530   7.049
   93    H    PHE  12           H        PHE  12   8.649   3.613   5.393
   94    HA   PHE  12           HA       PHE  12  10.651   1.452   5.337
   95    HB2  PHE  12          2HB       PHE  12   9.982   2.952   2.842
   96    HB3  PHE  12          3HB       PHE  12  10.573   1.304   3.034
   97    HD1  PHE  12           HD1      PHE  12   9.112  -0.431   2.681
   98    HD2  PHE  12           HD2      PHE  12   7.569   3.372   3.809
   99    HE1  PHE  12           HE1      PHE  12   6.820  -1.286   2.414
  100    HE2  PHE  12           HE2      PHE  12   5.275   2.523   3.545
  101    HZ   PHE  12           HZ       PHE  12   4.897   0.192   2.847
  102    H    GLY  13           H        GLY  13  10.645   4.110   6.665
  103    HA2  GLY  13          2HA       GLY  13  12.866   5.383   5.195
  104    HA3  GLY  13          3HA       GLY  13  11.804   6.219   6.318
  Start of MODEL    9
    1    H1   VAL   1           H        VAL   1   1.789   0.031   1.025
    2    HA   VAL   1           HA       VAL   1   1.246  -0.030  -1.872
    3    HB   VAL   1           HB       VAL   1   3.473   1.440  -0.455
    4   HG11  VAL   1          1HG1      VAL   1   4.349   0.514  -2.482
    5   HG12  VAL   1          2HG1      VAL   1   2.932   1.041  -3.394
    6   HG13  VAL   1          3HG1      VAL   1   4.059   2.233  -2.745
    7   HG21  VAL   1          1HG2      VAL   1   2.337   3.367  -0.775
    8   HG22  VAL   1          2HG2      VAL   1   1.629   2.825  -2.297
    9   HG23  VAL   1          3HG2      VAL   1   0.939   2.291  -0.764
   10    H    ALA   2           H        ALA   2   3.778  -0.661   0.557
   11    HA   ALA   2           HA       ALA   2   4.581  -3.008  -1.038
   12    HB1  ALA   2          1HB       ALA   2   6.502  -1.838  -1.241
   13    HB2  ALA   2          2HB       ALA   2   6.192  -0.867   0.198
   14    HB3  ALA   2          3HB       ALA   2   6.818  -2.507   0.360
   15    H    ARG   3           H        ARG   3   4.789  -1.678   2.269
   16    HA   ARG   3           HA       ARG   3   4.262  -4.396   3.281
   17    HB2  ARG   3          2HB       ARG   3   6.090  -2.248   4.334
   18    HB3  ARG   3          3HB       ARG   3   5.514  -3.555   5.360
   19    HG2  ARG   3          2HG       ARG   3   6.897  -5.057   4.440
   20    HG3  ARG   3          3HG       ARG   3   6.659  -4.427   2.809
   21    HD2  ARG   3          2HD       ARG   3   8.177  -2.583   3.287
   22    HD3  ARG   3          3HD       ARG   3   8.389  -3.170   4.936
   23    HE   ARG   3           HE       ARG   3   9.062  -5.126   2.953
   24   HH11  ARG   3          1HH1      ARG   3  10.226  -2.373   4.739
   25   HH12  ARG   3          2HH1      ARG   3  11.894  -2.819   4.592
   26   HH21  ARG   3          1HH2      ARG   3  11.255  -5.723   2.753
   27   HH22  ARG   3          2HH2      ARG   3  12.478  -4.724   3.461
   28    H    GLY   4           H        GLY   4   4.343  -1.172   4.792
   29    HA2  GLY   4          2HA       GLY   4   1.575  -1.663   5.707
   30    HA3  GLY   4          3HA       GLY   4   2.786  -0.837   6.677
   31    H    TRP   5           H        TRP   5   3.251   0.125   3.561
   32    HA   TRP   5           HA       TRP   5   2.572   2.771   3.948
   33    HB2  TRP   5          2HB       TRP   5   3.664   1.264   1.875
   34    HB3  TRP   5          3HB       TRP   5   2.224   1.992   1.168
   35    HD1  TRP   5           HD1      TRP   5   5.378   2.771   0.554
   36    HE1  TRP   5           HE1      TRP   5   6.021   5.258   0.716
   37    HE3  TRP   5           HE3      TRP   5   1.501   4.425   3.448
   38    HZ2  TRP   5           HZ2      TRP   5   5.018   7.609   1.913
   39    HZ3  TRP   5           HZ3      TRP   5   1.418   6.807   4.058
   40    HH2  TRP   5           HH2      TRP   5   3.140   8.365   3.305
   41    H    GLY   6           H        GLY   6   0.545   3.057   4.854
   42    HA2  GLY   6          2HA       GLY   6  -1.786   2.105   3.361
   43    HA3  GLY   6          3HA       GLY   6  -1.802   2.800   4.975
   44    H    ARG   7           H        ARG   7  -1.466   5.122   5.169
   45    HA   ARG   7           HA       ARG   7  -2.410   6.551   2.771
   46    HB2  ARG   7          2HB       ARG   7  -3.250   6.638   5.593
   47    HB3  ARG   7          3HB       ARG   7  -3.053   8.212   4.835
   48    HG2  ARG   7          2HG       ARG   7  -4.554   7.429   3.000
   49    HG3  ARG   7          3HG       ARG   7  -4.855   5.973   3.951
   50    HD2  ARG   7          2HD       ARG   7  -5.274   8.010   5.759
   51    HD3  ARG   7          3HD       ARG   7  -5.925   8.665   4.257
   52    HE   ARG   7           HE       ARG   7  -6.803   5.989   4.797
   53   HH11  ARG   7          1HH1      ARG   7  -7.388   9.361   5.437
   54   HH12  ARG   7          2HH1      ARG   7  -9.065   9.134   5.808
   55   HH21  ARG   7          1HH2      ARG   7  -9.010   5.678   5.283
   56   HH22  ARG   7          2HH2      ARG   7  -9.986   7.039   5.721
   57    H    LYS   8           H        LYS   8  -1.137   7.746   5.854
   58    HA   LYS   8           HA       LYS   8   1.104   8.967   4.385
   59    HB2  LYS   8          2HB       LYS   8   0.890  10.977   5.738
   60    HB3  LYS   8          3HB       LYS   8  -0.616  10.660   4.886
   61    HG2  LYS   8          2HG       LYS   8  -0.241   9.694   7.689
   62    HG3  LYS   8          3HG       LYS   8  -0.679  11.374   7.370
   63    HD2  LYS   8          2HD       LYS   8  -2.480  10.188   5.807
   64    HD3  LYS   8          3HD       LYS   8  -2.249   8.886   6.976
   65    HE2  LYS   8          2HE       LYS   8  -2.825  10.354   8.796
   66    HE3  LYS   8          3HE       LYS   8  -2.901  11.738   7.706
   67    HZ1  LYS   8          1HZ       LYS   8  -4.694   9.371   7.622
   68    HZ2  LYS   8          2HZ       LYS   8  -4.768  10.698   6.576
   69    HZ3  LYS   8          3HZ       LYS   8  -5.104  10.899   8.222
   70    H    CYS   9           H        CYS   9   1.029   6.498   5.901
   71    HA   CYS   9           HA       CYS   9   2.890   7.215   8.071
   72    HB2  CYS   9          2HB       CYS   9   0.641   5.274   7.988
   73    HB3  CYS   9          3HB       CYS   9   2.090   4.778   8.855
   74    HG   CYS   9           HG       CYS   9   1.892   6.429  10.895
   75    HA   PRO  10           HA       PRO  10   5.168   4.725   4.896
   76    HB2  PRO  10          2HB       PRO  10   7.406   6.260   4.969
   77    HB3  PRO  10          3HB       PRO  10   6.023   6.628   3.933
   78    HG2  PRO  10          2HG       PRO  10   6.765   7.796   6.587
   79    HG3  PRO  10          3HG       PRO  10   6.172   8.616   5.131
   80    HD2  PRO  10          2HD       PRO  10   4.566   8.038   7.233
   81    HD3  PRO  10          3HD       PRO  10   3.977   8.059   5.559
   82    H    LEU  11           H        LEU  11   6.315   2.999   5.504
   83    HA   LEU  11           HA       LEU  11   7.840   3.147   8.022
   84    HB2  LEU  11          2HB       LEU  11   7.384   0.628   8.104
   85    HB3  LEU  11          3HB       LEU  11   6.075   1.729   8.529
   86    HG   LEU  11           HG       LEU  11   6.277   0.637   5.750
   87   HD11  LEU  11          1HD1      LEU  11   4.526  -0.818   7.599
   88   HD12  LEU  11          2HD1      LEU  11   6.252  -1.079   7.850
   89   HD13  LEU  11          3HD1      LEU  11   5.530  -1.411   6.275
   90   HD21  LEU  11          1HD2      LEU  11   4.576   2.410   7.012
   91   HD22  LEU  11          2HD2      LEU  11   3.675   0.893   7.012
   92   HD23  LEU  11          3HD2      LEU  11   4.269   1.568   5.494
   93    H    PHE  12           H        PHE  12   8.705   3.626   5.237
   94    HA   PHE  12           HA       PHE  12  10.757   1.518   5.081
   95    HB2  PHE  12          2HB       PHE  12   9.969   3.038   2.634
   96    HB3  PHE  12          3HB       PHE  12  10.607   1.404   2.779
   97    HD1  PHE  12           HD1      PHE  12   9.178  -0.363   2.446
   98    HD2  PHE  12           HD2      PHE  12   7.579   3.382   3.686
   99    HE1  PHE  12           HE1      PHE  12   6.901  -1.271   2.240
  100    HE2  PHE  12           HE2      PHE  12   5.299   2.479   3.483
  101    HZ   PHE  12           HZ       PHE  12   4.958   0.150   2.760
  102    H    GLY  13           H        GLY  13  10.738   4.145   6.458
  103    HA2  GLY  13          2HA       GLY  13  12.272   6.026   5.015
  104    HA3  GLY  13          3HA       GLY  13  12.128   5.946   6.765
  Start of MODEL   10
    1    H1   VAL   1           H        VAL   1   1.681   0.013   1.011
    2    HA   VAL   1           HA       VAL   1   0.968   0.022  -1.850
    3    HB   VAL   1           HB       VAL   1   3.239   1.508  -0.522
    4   HG11  VAL   1          1HG1      VAL   1   2.534   1.179  -3.434
    5   HG12  VAL   1          2HG1      VAL   1   3.667   2.383  -2.818
    6   HG13  VAL   1          3HG1      VAL   1   4.014   0.664  -2.625
    7   HG21  VAL   1          1HG2      VAL   1   0.672   2.301  -0.654
    8   HG22  VAL   1          2HG2      VAL   1   2.038   3.414  -0.715
    9   HG23  VAL   1          3HG2      VAL   1   1.255   2.898  -2.208
   10    H    ALA   2           H        ALA   2   3.655  -0.614   0.405
   11    HA   ALA   2           HA       ALA   2   4.419  -2.890  -1.306
   12    HB1  ALA   2          1HB       ALA   2   6.296  -1.667  -1.584
   13    HB2  ALA   2          2HB       ALA   2   6.047  -0.745  -0.102
   14    HB3  ALA   2          3HB       ALA   2   6.721  -2.372  -0.025
   15    H    ARG   3           H        ARG   3   4.791  -1.654   2.023
   16    HA   ARG   3           HA       ARG   3   4.390  -4.413   2.980
   17    HB2  ARG   3          2HB       ARG   3   6.254  -2.261   3.942
   18    HB3  ARG   3          3HB       ARG   3   5.731  -3.547   5.021
   19    HG2  ARG   3          2HG       ARG   3   6.955  -5.133   3.953
   20    HG3  ARG   3          3HG       ARG   3   6.810  -4.344   2.381
   21    HD2  ARG   3          2HD       ARG   3   8.964  -3.797   2.743
   22    HD3  ARG   3          3HD       ARG   3   8.263  -2.505   3.718
   23    HE   ARG   3           HE       ARG   3   8.703  -4.928   5.190
   24   HH11  ARG   3          1HH1      ARG   3  10.164  -1.983   4.047
   25   HH12  ARG   3          2HH1      ARG   3  11.377  -1.951   5.283
   26   HH21  ARG   3          1HH2      ARG   3  10.295  -4.898   6.822
   27   HH22  ARG   3          2HH2      ARG   3  11.452  -3.611   6.861
   28    H    GLY   4           H        GLY   4   4.483  -1.234   4.582
   29    HA2  GLY   4          2HA       GLY   4   1.787  -1.823   5.642
   30    HA3  GLY   4          3HA       GLY   4   3.033  -0.995   6.565
   31    H    TRP   5           H        TRP   5   3.289   0.071   3.457
   32    HA   TRP   5           HA       TRP   5   2.570   2.686   3.965
   33    HB2  TRP   5          2HB       TRP   5   3.573   1.269   1.786
   34    HB3  TRP   5          3HB       TRP   5   2.076   1.979   1.188
   35    HD1  TRP   5           HD1      TRP   5   5.168   2.857   0.414
   36    HE1  TRP   5           HE1      TRP   5   5.759   5.354   0.614
   37    HE3  TRP   5           HE3      TRP   5   1.432   4.325   3.581
   38    HZ2  TRP   5           HZ2      TRP   5   4.773   7.643   1.940
   39    HZ3  TRP   5           HZ3      TRP   5   1.327   6.685   4.267
   40    HH2  TRP   5           HH2      TRP   5   2.964   8.309   3.463
   41    H    GLY   6           H        GLY   6   0.594   2.892   4.997
   42    HA2  GLY   6          2HA       GLY   6  -1.798   1.924   3.616
   43    HA3  GLY   6          3HA       GLY   6  -1.735   2.571   5.249
   44    H    ARG   7           H        ARG   7  -1.443   4.895   5.492
   45    HA   ARG   7           HA       ARG   7  -2.561   6.368   3.197
   46    HB2  ARG   7          2HB       ARG   7  -3.187   6.407   6.093
   47    HB3  ARG   7          3HB       ARG   7  -3.168   7.967   5.281
   48    HG2  ARG   7          2HG       ARG   7  -4.814   7.171   3.677
   49    HG3  ARG   7          3HG       ARG   7  -4.811   5.585   4.450
   50    HD2  ARG   7          2HD       ARG   7  -6.497   6.353   5.695
   51    HD3  ARG   7          3HD       ARG   7  -5.280   7.301   6.548
   52    HE   ARG   7           HE       ARG   7  -6.150   9.186   5.599
   53   HH11  ARG   7          1HH1      ARG   7  -7.224   6.416   3.784
   54   HH12  ARG   7          2HH1      ARG   7  -8.301   7.328   2.780
   55   HH21  ARG   7          1HH2      ARG   7  -7.565  10.398   4.283
   56   HH22  ARG   7          2HH2      ARG   7  -8.494   9.593   3.064
   57    H    LYS   8           H        LYS   8  -1.138   7.504   6.237
   58    HA   LYS   8           HA       LYS   8   0.982   8.827   4.678
   59    HB2  LYS   8          2HB       LYS   8   0.799  10.789   6.103
   60    HB3  LYS   8          3HB       LYS   8  -0.746  10.458   5.332
   61    HG2  LYS   8          2HG       LYS   8  -0.183   9.419   8.076
   62    HG3  LYS   8          3HG       LYS   8  -0.680  11.096   7.836
   63    HD2  LYS   8          2HD       LYS   8  -2.541   9.911   6.345
   64    HD3  LYS   8          3HD       LYS   8  -2.210   8.580   7.457
   65    HE2  LYS   8          2HE       LYS   8  -3.016   9.716   9.271
   66    HE3  LYS   8          3HE       LYS   8  -2.611  11.295   8.599
   67    HZ1  LYS   8          1HZ       LYS   8  -4.641  11.495   7.762
   68    HZ2  LYS   8          2HZ       LYS   8  -5.089  10.119   8.638
   69    HZ3  LYS   8          3HZ       LYS   8  -4.583   9.971   7.030
   70    H    CYS   9           H        CYS   9   1.056   6.312   6.119
   71    HA   CYS   9           HA       CYS   9   3.024   7.013   8.198
   72    HB2  CYS   9          2HB       CYS   9   1.173   4.622   8.121
   73    HB3  CYS   9          3HB       CYS   9   2.420   4.897   9.331
   74    HG   CYS   9           HG       CYS   9   0.730   7.597   9.427
   75    HA   PRO  10           HA       PRO  10   5.170   4.678   4.819
   76    HB2  PRO  10          2HB       PRO  10   7.371   6.267   4.808
   77    HB3  PRO  10          3HB       PRO  10   5.919   6.629   3.866
   78    HG2  PRO  10          2HG       PRO  10   6.789   7.738   6.507
   79    HG3  PRO  10          3HG       PRO  10   6.091   8.584   5.114
   80    HD2  PRO  10          2HD       PRO  10   4.628   7.904   7.288
   81    HD3  PRO  10          3HD       PRO  10   3.939   7.958   5.653
   82    H    LEU  11           H        LEU  11   6.392   2.964   5.305
   83    HA   LEU  11           HA       LEU  11   8.060   3.078   7.732
   84    HB2  LEU  11          2HB       LEU  11   7.671   0.548   7.764
   85    HB3  LEU  11          3HB       LEU  11   6.363   1.601   8.299
   86    HG   LEU  11           HG       LEU  11   6.427   0.596   5.480
   87   HD11  LEU  11          1HD1      LEU  11   6.567  -1.181   7.524
   88   HD12  LEU  11          2HD1      LEU  11   5.758  -1.485   5.986
   89   HD13  LEU  11          3HD1      LEU  11   4.823  -0.956   7.385
   90   HD21  LEU  11          1HD2      LEU  11   4.761   2.286   6.894
   91   HD22  LEU  11          2HD2      LEU  11   3.898   0.748   6.899
   92   HD23  LEU  11          3HD2      LEU  11   4.385   1.482   5.370
   93    H    PHE  12           H        PHE  12   8.747   3.661   4.918
   94    HA   PHE  12           HA       PHE  12  10.836   1.612   4.576
   95    HB2  PHE  12          2HB       PHE  12   9.866   3.183   2.228
   96    HB3  PHE  12          3HB       PHE  12  10.552   1.562   2.285
   97    HD1  PHE  12           HD1      PHE  12   9.149  -0.230   1.982
   98    HD2  PHE  12           HD2      PHE  12   7.536   3.433   3.429
   99    HE1  PHE  12           HE1      PHE  12   6.886  -1.191   1.882
  100    HE2  PHE  12           HE2      PHE  12   5.271   2.478   3.332
  101    HZ   PHE  12           HZ       PHE  12   4.943   0.163   2.558
  102    H    GLY  13           H        GLY  13  10.830   4.201   6.029
  103    HA2  GLY  13          2HA       GLY  13  12.579   5.879   4.404
  104    HA3  GLY  13          3HA       GLY  13  11.943   6.271   5.994
  Start of MODEL   11
    1    H1   VAL   1           H        VAL   1   1.548   0.120   1.254
    2    HA   VAL   1           HA       VAL   1   0.870   0.041  -1.614
    3    HB   VAL   1           HB       VAL   1   3.177   1.496  -0.315
    4   HG11  VAL   1          1HG1      VAL   1   2.496   1.078  -3.221
    5   HG12  VAL   1          2HG1      VAL   1   3.666   2.262  -2.637
    6   HG13  VAL   1          3HG1      VAL   1   3.945   0.540  -2.373
    7   HG21  VAL   1          1HG2      VAL   1   2.050   3.434  -0.600
    8   HG22  VAL   1          2HG2      VAL   1   1.266   2.887  -2.082
    9   HG23  VAL   1          3HG2      VAL   1   0.642   2.375  -0.514
   10    H    ALA   2           H        ALA   2   3.504  -0.601   0.701
   11    HA   ALA   2           HA       ALA   2   4.206  -2.970  -0.908
   12    HB1  ALA   2          1HB       ALA   2   6.130  -1.829  -1.210
   13    HB2  ALA   2          2HB       ALA   2   5.895  -0.837   0.230
   14    HB3  ALA   2          3HB       ALA   2   6.510  -2.483   0.384
   15    H    ARG   3           H        ARG   3   4.582  -1.615   2.374
   16    HA   ARG   3           HA       ARG   3   4.070  -4.318   3.433
   17    HB2  ARG   3          2HB       ARG   3   5.960  -2.180   4.399
   18    HB3  ARG   3          3HB       ARG   3   5.430  -3.495   5.440
   19    HG2  ARG   3          2HG       ARG   3   6.751  -5.000   4.430
   20    HG3  ARG   3          3HG       ARG   3   6.462  -4.330   2.823
   21    HD2  ARG   3          2HD       ARG   3   8.143  -2.748   3.042
   22    HD3  ARG   3          3HD       ARG   3   8.123  -2.826   4.803
   23    HE   ARG   3           HE       ARG   3   8.941  -5.309   4.009
   24   HH11  ARG   3          1HH1      ARG   3  10.039  -2.051   3.461
   25   HH12  ARG   3          2HH1      ARG   3  11.703  -2.501   3.291
   26   HH21  ARG   3          1HH2      ARG   3  11.129  -5.915   3.787
   27   HH22  ARG   3          2HH2      ARG   3  12.322  -4.699   3.476
   28    H    GLY   4           H        GLY   4   4.259  -1.083   4.909
   29    HA2  GLY   4          2HA       GLY   4   1.531  -1.532   5.955
   30    HA3  GLY   4          3HA       GLY   4   2.794  -0.713   6.862
   31    H    TRP   5           H        TRP   5   3.126   0.218   3.718
   32    HA   TRP   5           HA       TRP   5   2.497   2.875   4.112
   33    HB2  TRP   5          2HB       TRP   5   3.473   1.337   2.004
   34    HB3  TRP   5          3HB       TRP   5   2.010   2.076   1.359
   35    HD1  TRP   5           HD1      TRP   5   5.142   2.811   0.592
   36    HE1  TRP   5           HE1      TRP   5   5.822   5.290   0.702
   37    HE3  TRP   5           HE3      TRP   5   1.425   4.537   3.648
   38    HZ2  TRP   5           HZ2      TRP   5   4.905   7.664   1.923
   39    HZ3  TRP   5           HZ3      TRP   5   1.399   6.926   4.239
   40    HH2  TRP   5           HH2      TRP   5   3.104   8.455   3.394
   41    H    GLY   6           H        GLY   6   0.518   3.193   5.109
   42    HA2  GLY   6          2HA       GLY   6  -1.891   2.258   3.735
   43    HA3  GLY   6          3HA       GLY   6  -1.824   2.967   5.342
   44    H    ARG   7           H        ARG   7  -1.449   5.286   5.497
   45    HA   ARG   7           HA       ARG   7  -2.486   6.706   3.132
   46    HB2  ARG   7          2HB       ARG   7  -2.967   7.134   6.071
   47    HB3  ARG   7          3HB       ARG   7  -3.254   8.414   4.900
   48    HG2  ARG   7          2HG       ARG   7  -4.488   5.899   4.131
   49    HG3  ARG   7          3HG       ARG   7  -5.058   6.498   5.690
   50    HD2  ARG   7          2HD       ARG   7  -6.225   8.140   4.733
   51    HD3  ARG   7          3HD       ARG   7  -4.865   8.612   3.717
   52    HE   ARG   7           HE       ARG   7  -5.852   7.499   1.993
   53   HH11  ARG   7          1HH1      ARG   7  -7.114   6.242   4.984
   54   HH12  ARG   7          2HH1      ARG   7  -8.265   5.202   4.213
   55   HH21  ARG   7          1HH2      ARG   7  -7.363   6.133   0.966
   56   HH22  ARG   7          2HH2      ARG   7  -8.405   5.140   1.928
   57    H    LYS   8           H        LYS   8  -1.058   7.911   6.143
   58    HA   LYS   8           HA       LYS   8   1.127   9.093   4.562
   59    HB2  LYS   8          2HB       LYS   8   0.999  11.116   5.906
   60    HB3  LYS   8          3HB       LYS   8  -0.548  10.811   5.127
   61    HG2  LYS   8          2HG       LYS   8  -0.057   9.862   7.917
   62    HG3  LYS   8          3HG       LYS   8  -0.489  11.545   7.605
   63    HD2  LYS   8          2HD       LYS   8  -2.374  10.368   6.136
   64    HD3  LYS   8          3HD       LYS   8  -2.105   9.073   7.304
   65    HE2  LYS   8          2HE       LYS   8  -2.251  11.607   8.648
   66    HE3  LYS   8          3HE       LYS   8  -3.668  11.385   7.623
   67    HZ1  LYS   8          1HZ       LYS   8  -3.589   9.013   8.742
   68    HZ2  LYS   8          2HZ       LYS   8  -4.378  10.318   9.474
   69    HZ3  LYS   8          3HZ       LYS   8  -2.823   9.879   9.977
   70    H    CYS   9           H        CYS   9   1.092   6.637   6.102
   71    HA   CYS   9           HA       CYS   9   3.060   7.349   8.177
   72    HB2  CYS   9          2HB       CYS   9   1.181   4.977   8.180
   73    HB3  CYS   9          3HB       CYS   9   2.359   5.364   9.428
   74    HG   CYS   9           HG       CYS   9   0.545   6.502  10.844
   75    HA   PRO  10           HA       PRO  10   5.159   4.805   4.922
   76    HB2  PRO  10          2HB       PRO  10   7.416   6.312   4.878
   77    HB3  PRO  10          3HB       PRO  10   5.990   6.689   3.903
   78    HG2  PRO  10          2HG       PRO  10   6.869   7.869   6.510
   79    HG3  PRO  10          3HG       PRO  10   6.219   8.684   5.075
   80    HD2  PRO  10          2HD       PRO  10   4.705   8.144   7.255
   81    HD3  PRO  10          3HD       PRO  10   4.039   8.158   5.609
   82    H    LEU  11           H        LEU  11   6.311   3.069   5.492
   83    HA   LEU  11           HA       LEU  11   7.953   3.219   7.935
   84    HB2  LEU  11          2HB       LEU  11   7.470   0.708   8.061
   85    HB3  LEU  11          3HB       LEU  11   6.196   1.828   8.536
   86    HG   LEU  11           HG       LEU  11   6.257   0.709   5.761
   87   HD11  LEU  11          1HD1      LEU  11   5.507  -1.323   6.340
   88   HD12  LEU  11          2HD1      LEU  11   4.575  -0.706   7.704
   89   HD13  LEU  11          3HD1      LEU  11   6.308  -0.988   7.876
   90   HD21  LEU  11          1HD2      LEU  11   4.637   2.514   7.084
   91   HD22  LEU  11          2HD2      LEU  11   3.718   1.009   7.139
   92   HD23  LEU  11          3HD2      LEU  11   4.250   1.663   5.589
   93    H    PHE  12           H        PHE  12   8.694   3.664   5.109
   94    HA   PHE  12           HA       PHE  12  10.710   1.528   4.876
   95    HB2  PHE  12          2HB       PHE  12   9.828   3.039   2.456
   96    HB3  PHE  12          3HB       PHE  12  10.452   1.398   2.585
   97    HD1  PHE  12           HD1      PHE  12   8.989  -0.353   2.333
   98    HD2  PHE  12           HD2      PHE  12   7.494   3.421   3.614
   99    HE1  PHE  12           HE1      PHE  12   6.693  -1.235   2.241
  100    HE2  PHE  12           HE2      PHE  12   5.197   2.545   3.525
  101    HZ   PHE  12           HZ       PHE  12   4.794   0.214   2.838
  102    H    GLY  13           H        GLY  13  10.774   4.180   6.220
  103    HA2  GLY  13          2HA       GLY  13  12.178   6.101   4.776
  104    HA3  GLY  13          3HA       GLY  13  12.295   5.873   6.515
  Start of MODEL   12
    1    H1   VAL   1           H        VAL   1   1.783   0.244   0.691
    2    HA   VAL   1           HA       VAL   1   1.380   0.225  -2.230
    3    HB   VAL   1           HB       VAL   1   3.568   1.628  -0.690
    4   HG11  VAL   1          1HG1      VAL   1   4.281   2.432  -2.941
    5   HG12  VAL   1          2HG1      VAL   1   4.519   0.702  -2.685
    6   HG13  VAL   1          3HG1      VAL   1   3.161   1.273  -3.655
    7   HG21  VAL   1          1HG2      VAL   1   1.847   3.073  -2.602
    8   HG22  VAL   1          2HG2      VAL   1   1.072   2.541  -1.110
    9   HG23  VAL   1          3HG2      VAL   1   2.492   3.585  -1.043
   10    H    ALA   2           H        ALA   2   3.777  -0.490   0.311
   11    HA   ALA   2           HA       ALA   2   4.603  -2.838  -1.271
   12    HB1  ALA   2          1HB       ALA   2   6.557  -1.711  -1.368
   13    HB2  ALA   2          2HB       ALA   2   6.199  -0.748   0.066
   14    HB3  ALA   2          3HB       ALA   2   6.780  -2.404   0.239
   15    H    ARG   3           H        ARG   3   4.681  -1.548   2.058
   16    HA   ARG   3           HA       ARG   3   4.044  -4.262   3.012
   17    HB2  ARG   3          2HB       ARG   3   5.891  -2.178   4.145
   18    HB3  ARG   3          3HB       ARG   3   5.205  -3.434   5.167
   19    HG2  ARG   3          2HG       ARG   3   6.486  -5.065   4.263
   20    HG3  ARG   3          3HG       ARG   3   6.505  -4.317   2.665
   21    HD2  ARG   3          2HD       ARG   3   8.508  -3.457   3.081
   22    HD3  ARG   3          3HD       ARG   3   7.855  -2.589   4.470
   23    HE   ARG   3           HE       ARG   3   8.269  -5.128   5.382
   24   HH11  ARG   3          1HH1      ARG   3  10.251  -2.702   3.863
   25   HH12  ARG   3          2HH1      ARG   3  11.708  -3.216   4.646
   26   HH21  ARG   3          1HH2      ARG   3  10.181  -5.814   6.419
   27   HH22  ARG   3          2HH2      ARG   3  11.668  -4.987   6.099
   28    H    GLY   4           H        GLY   4   4.125  -1.058   4.563
   29    HA2  GLY   4          2HA       GLY   4   1.306  -1.494   5.337
   30    HA3  GLY   4          3HA       GLY   4   2.486  -0.707   6.374
   31    H    TRP   5           H        TRP   5   3.123   0.277   3.295
   32    HA   TRP   5           HA       TRP   5   2.486   2.934   3.679
   33    HB2  TRP   5          2HB       TRP   5   3.642   1.424   1.643
   34    HB3  TRP   5          3HB       TRP   5   2.255   2.192   0.877
   35    HD1  TRP   5           HD1      TRP   5   5.452   2.903   0.424
   36    HE1  TRP   5           HE1      TRP   5   6.143   5.373   0.645
   37    HE3  TRP   5           HE3      TRP   5   1.480   4.617   3.148
   38    HZ2  TRP   5           HZ2      TRP   5   5.138   7.734   1.820
   39    HZ3  TRP   5           HZ3      TRP   5   1.421   6.995   3.780
   40    HH2  TRP   5           HH2      TRP   5   3.214   8.519   3.129
   41    H    GLY   6           H        GLY   6   0.425   3.258   4.490
   42    HA2  GLY   6          2HA       GLY   6  -1.852   2.375   2.877
   43    HA3  GLY   6          3HA       GLY   6  -1.930   3.055   4.496
   44    H    ARG   7           H        ARG   7  -1.548   5.367   4.730
   45    HA   ARG   7           HA       ARG   7  -2.342   6.841   2.305
   46    HB2  ARG   7          2HB       ARG   7  -3.059   7.288   5.200
   47    HB3  ARG   7          3HB       ARG   7  -3.304   8.515   3.964
   48    HG2  ARG   7          2HG       ARG   7  -4.983   7.329   2.926
   49    HG3  ARG   7          3HG       ARG   7  -4.431   5.782   3.571
   50    HD2  ARG   7          2HD       ARG   7  -5.426   7.907   5.423
   51    HD3  ARG   7          3HD       ARG   7  -6.575   6.906   4.535
   52    HE   ARG   7           HE       ARG   7  -4.774   5.173   5.718
   53   HH11  ARG   7          1HH1      ARG   7  -7.093   7.558   6.747
   54   HH12  ARG   7          2HH1      ARG   7  -7.433   6.768   8.251
   55   HH21  ARG   7          1HH2      ARG   7  -5.214   4.123   7.695
   56   HH22  ARG   7          2HH2      ARG   7  -6.363   4.815   8.790
   57    H    LYS   8           H        LYS   8  -1.195   7.973   5.461
   58    HA   LYS   8           HA       LYS   8   1.142   9.159   4.117
   59    HB2  LYS   8          2HB       LYS   8   0.907  11.158   5.483
   60    HB3  LYS   8          3HB       LYS   8  -0.562  10.885   4.555
   61    HG2  LYS   8          2HG       LYS   8  -0.348   9.879   7.360
   62    HG3  LYS   8          3HG       LYS   8  -0.731  11.572   7.041
   63    HD2  LYS   8          2HD       LYS   8  -2.480  10.447   5.378
   64    HD3  LYS   8          3HD       LYS   8  -2.336   9.126   6.540
   65    HE2  LYS   8          2HE       LYS   8  -2.573  11.575   7.973
   66    HE3  LYS   8          3HE       LYS   8  -3.847  11.515   6.756
   67    HZ1  LYS   8          1HZ       LYS   8  -4.675   9.520   7.637
   68    HZ2  LYS   8          2HZ       LYS   8  -4.373  10.497   8.984
   69    HZ3  LYS   8          3HZ       LYS   8  -3.299   9.253   8.585
   70    H    CYS   9           H        CYS   9   0.937   6.675   5.599
   71    HA   CYS   9           HA       CYS   9   2.705   7.326   7.864
   72    HB2  CYS   9          2HB       CYS   9   0.764   5.016   7.631
   73    HB3  CYS   9          3HB       CYS   9   1.877   5.276   8.968
   74    HG   CYS   9           HG       CYS   9   0.649   7.803   9.606
   75    HA   PRO  10           HA       PRO  10   5.078   4.818   4.774
   76    HB2  PRO  10          2HB       PRO  10   7.344   6.300   4.972
   77    HB3  PRO  10          3HB       PRO  10   6.021   6.711   3.875
   78    HG2  PRO  10          2HG       PRO  10   6.660   7.833   6.576
   79    HG3  PRO  10          3HG       PRO  10   6.157   8.681   5.102
   80    HD2  PRO  10          2HD       PRO  10   4.439   8.119   7.118
   81    HD3  PRO  10          3HD       PRO  10   3.932   8.171   5.417
   82    H    LEU  11           H        LEU  11   6.154   3.059   5.416
   83    HA   LEU  11           HA       LEU  11   7.559   3.145   8.006
   84    HB2  LEU  11          2HB       LEU  11   7.042   0.638   8.038
   85    HB3  LEU  11          3HB       LEU  11   5.739   1.764   8.411
   86    HG   LEU  11           HG       LEU  11   6.053   0.695   5.633
   87   HD11  LEU  11          1HD1      LEU  11   5.886  -1.041   7.709
   88   HD12  LEU  11          2HD1      LEU  11   5.231  -1.339   6.099
   89   HD13  LEU  11          3HD1      LEU  11   4.180  -0.736   7.380
   90   HD21  LEU  11          1HD2      LEU  11   4.332   2.494   6.831
   91   HD22  LEU  11          2HD2      LEU  11   3.398   0.999   6.770
   92   HD23  LEU  11          3HD2      LEU  11   4.081   1.675   5.290
   93    H    PHE  12           H        PHE  12   8.568   3.633   5.272
   94    HA   PHE  12           HA       PHE  12  10.577   1.479   5.190
   95    HB2  PHE  12          2HB       PHE  12   9.942   3.043   2.725
   96    HB3  PHE  12          3HB       PHE  12  10.535   1.393   2.882
   97    HD1  PHE  12           HD1      PHE  12   9.085  -0.337   2.461
   98    HD2  PHE  12           HD2      PHE  12   7.513   3.431   3.665
   99    HE1  PHE  12           HE1      PHE  12   6.800  -1.190   2.135
  100    HE2  PHE  12           HE2      PHE  12   5.226   2.584   3.343
  101    HZ   PHE  12           HZ       PHE  12   4.867   0.271   2.577
  102    H    GLY  13           H        GLY  13  10.545   4.099   6.589
  103    HA2  GLY  13          2HA       GLY  13  12.695   5.505   5.154
  104    HA3  GLY  13          3HA       GLY  13  11.712   6.188   6.440
  Start of MODEL   13
    1    H1   VAL   1           H        VAL   1   1.744  -0.303   1.127
    2    HA   VAL   1           HA       VAL   1   1.157  -0.399  -1.761
    3    HB   VAL   1           HB       VAL   1   3.271   1.254  -0.374
    4   HG11  VAL   1          1HG1      VAL   1   3.745   2.106  -2.668
    5   HG12  VAL   1          2HG1      VAL   1   4.187   0.415  -2.424
    6   HG13  VAL   1          3HG1      VAL   1   2.715   0.825  -3.305
    7   HG21  VAL   1          1HG2      VAL   1   1.965   3.075  -0.662
    8   HG22  VAL   1          2HG2      VAL   1   1.281   2.481  -2.175
    9   HG23  VAL   1          3HG2      VAL   1   0.667   1.881  -0.635
   10    H    ALA   2           H        ALA   2   3.778  -0.817   0.619
   11    HA   ALA   2           HA       ALA   2   4.756  -3.077  -1.004
   12    HB1  ALA   2          1HB       ALA   2   6.193  -0.808   0.219
   13    HB2  ALA   2          2HB       ALA   2   6.965  -2.388   0.357
   14    HB3  ALA   2          3HB       ALA   2   6.562  -1.740  -1.233
   15    H    ARG   3           H        ARG   3   4.905  -1.748   2.307
   16    HA   ARG   3           HA       ARG   3   4.637  -4.506   3.312
   17    HB2  ARG   3          2HB       ARG   3   6.287  -2.211   4.346
   18    HB3  ARG   3          3HB       ARG   3   5.846  -3.567   5.374
   19    HG2  ARG   3          2HG       ARG   3   7.241  -5.011   4.310
   20    HG3  ARG   3          3HG       ARG   3   7.095  -4.182   2.759
   21    HD2  ARG   3          2HD       ARG   3   8.416  -2.290   3.807
   22    HD3  ARG   3          3HD       ARG   3   8.749  -3.390   5.144
   23    HE   ARG   3           HE       ARG   3   9.467  -4.752   2.864
   24   HH11  ARG   3          1HH1      ARG   3  10.373  -1.767   4.411
   25   HH12  ARG   3          2HH1      ARG   3  11.999  -1.800   3.815
   26   HH21  ARG   3          1HH2      ARG   3  11.606  -4.806   2.073
   27   HH22  ARG   3          2HH2      ARG   3  12.699  -3.528   2.485
   28    H    GLY   4           H        GLY   4   4.460  -1.295   4.840
   29    HA2  GLY   4          2HA       GLY   4   1.763  -2.032   5.799
   30    HA3  GLY   4          3HA       GLY   4   2.913  -1.108   6.754
   31    H    TRP   5           H        TRP   5   3.237  -0.092   3.637
   32    HA   TRP   5           HA       TRP   5   2.335   2.482   4.052
   33    HB2  TRP   5          2HB       TRP   5   3.519   1.087   1.951
   34    HB3  TRP   5          3HB       TRP   5   2.008   1.687   1.274
   35    HD1  TRP   5           HD1      TRP   5   5.070   2.745   0.612
   36    HE1  TRP   5           HE1      TRP   5   5.493   5.279   0.777
   37    HE3  TRP   5           HE3      TRP   5   1.113   4.036   3.579
   38    HZ2  TRP   5           HZ2      TRP   5   4.306   7.527   2.004
   39    HZ3  TRP   5           HZ3      TRP   5   0.828   6.399   4.204
   40    HH2  TRP   5           HH2      TRP   5   2.394   8.107   3.432
   41    H    GLY   6           H        GLY   6   0.307   2.583   4.994
   42    HA2  GLY   6          2HA       GLY   6  -1.957   1.437   3.536
   43    HA3  GLY   6          3HA       GLY   6  -2.006   2.121   5.154
   44    H    ARG   7           H        ARG   7  -1.878   4.461   5.357
   45    HA   ARG   7           HA       ARG   7  -2.984   5.812   2.983
   46    HB2  ARG   7          2HB       ARG   7  -3.784   5.804   5.816
   47    HB3  ARG   7          3HB       ARG   7  -3.727   7.399   5.077
   48    HG2  ARG   7          2HG       ARG   7  -5.038   5.697   3.252
   49    HG3  ARG   7          3HG       ARG   7  -5.725   5.383   4.847
   50    HD2  ARG   7          2HD       ARG   7  -6.968   7.144   3.753
   51    HD3  ARG   7          3HD       ARG   7  -6.094   7.801   5.136
   52    HE   ARG   7           HE       ARG   7  -4.407   8.232   3.059
   53   HH11  ARG   7          1HH1      ARG   7  -7.757   8.981   3.637
   54   HH12  ARG   7          2HH1      ARG   7  -7.740  10.414   2.664
   55   HH21  ARG   7          1HH2      ARG   7  -4.371  10.116   1.775
   56   HH22  ARG   7          2HH2      ARG   7  -5.813  11.058   1.604
   57    H    LYS   8           H        LYS   8  -1.764   7.100   6.051
   58    HA   LYS   8           HA       LYS   8   0.334   8.520   4.549
   59    HB2  LYS   8          2HB       LYS   8  -0.047  10.390   6.277
   60    HB3  LYS   8          3HB       LYS   8  -1.209  10.229   4.966
   61    HG2  LYS   8          2HG       LYS   8  -2.573  10.528   6.794
   62    HG3  LYS   8          3HG       LYS   8  -2.530   8.769   6.652
   63    HD2  LYS   8          2HD       LYS   8  -2.238   9.366   8.963
   64    HD3  LYS   8          3HD       LYS   8  -0.710   8.733   8.345
   65    HE2  LYS   8          2HE       LYS   8   0.348  10.717   8.560
   66    HE3  LYS   8          3HE       LYS   8  -1.078  11.647   8.104
   67    HZ1  LYS   8          1HZ       LYS   8  -1.985  11.187  10.333
   68    HZ2  LYS   8          2HZ       LYS   8  -0.550  12.079  10.384
   69    HZ3  LYS   8          3HZ       LYS   8  -0.533  10.429  10.756
   70    H    CYS   9           H        CYS   9   0.504   6.048   6.053
   71    HA   CYS   9           HA       CYS   9   2.332   6.918   8.194
   72    HB2  CYS   9          2HB       CYS   9   0.231   4.832   8.156
   73    HB3  CYS   9          3HB       CYS   9   1.744   4.386   8.936
   74    HG   CYS   9           HG       CYS   9  -0.731   6.079  10.169
   75    HA   PRO  10           HA       PRO  10   4.764   4.650   4.967
   76    HB2  PRO  10          2HB       PRO  10   6.860   6.375   5.010
   77    HB3  PRO  10          3HB       PRO  10   5.431   6.624   3.999
   78    HG2  PRO  10          2HG       PRO  10   6.115   7.843   6.647
   79    HG3  PRO  10          3HG       PRO  10   5.426   8.613   5.205
   80    HD2  PRO  10          2HD       PRO  10   3.915   7.888   7.332
   81    HD3  PRO  10          3HD       PRO  10   3.296   7.864   5.668
   82    H    LEU  11           H        LEU  11   6.069   3.029   5.545
   83    HA   LEU  11           HA       LEU  11   7.618   3.300   8.037
   84    HB2  LEU  11          2HB       LEU  11   7.387   0.751   8.113
   85    HB3  LEU  11          3HB       LEU  11   5.995   1.731   8.568
   86    HG   LEU  11           HG       LEU  11   6.243   0.671   5.779
   87   HD11  LEU  11          1HD1      LEU  11   6.405  -1.049   7.868
   88   HD12  LEU  11          2HD1      LEU  11   5.682  -1.435   6.306
   89   HD13  LEU  11          3HD1      LEU  11   4.658  -0.936   7.652
   90   HD21  LEU  11          1HD2      LEU  11   3.651   0.694   7.083
   91   HD22  LEU  11          2HD2      LEU  11   4.158   1.426   5.560
   92   HD23  LEU  11          3HD2      LEU  11   4.415   2.284   7.081
   93    H    PHE  12           H        PHE  12   8.390   3.866   5.242
   94    HA   PHE  12           HA       PHE  12  10.616   1.947   5.038
   95    HB2  PHE  12          2HB       PHE  12   9.654   3.404   2.615
   96    HB3  PHE  12          3HB       PHE  12  10.437   1.832   2.738
   97    HD1  PHE  12           HD1      PHE  12   7.263   3.530   3.709
   98    HD2  PHE  12           HD2      PHE  12   9.164  -0.053   2.420
   99    HE1  PHE  12           HE1      PHE  12   5.068   2.431   3.539
  100    HE2  PHE  12           HE2      PHE  12   6.973  -1.158   2.247
  101    HZ   PHE  12           HZ       PHE  12   4.921   0.085   2.806
  102    H    GLY  13           H        GLY  13  10.386   4.559   6.429
  103    HA2  GLY  13          2HA       GLY  13  11.964   6.407   4.863
  104    HA3  GLY  13          3HA       GLY  13  11.441   6.627   6.526
  Start of MODEL   14
    1    H1   VAL   1           H        VAL   1   1.811  -0.015   0.875
    2    HA   VAL   1           HA       VAL   1   1.292  -0.022  -2.027
    3    HB   VAL   1           HB       VAL   1   3.449   1.496  -0.554
    4   HG11  VAL   1          1HG1      VAL   1   4.023   2.371  -2.815
    5   HG12  VAL   1          2HG1      VAL   1   4.372   0.655  -2.599
    6   HG13  VAL   1          3HG1      VAL   1   2.945   1.158  -3.506
    7   HG21  VAL   1          1HG2      VAL   1   1.565   2.854  -2.374
    8   HG22  VAL   1          2HG2      VAL   1   0.886   2.256  -0.860
    9   HG23  VAL   1          3HG2      VAL   1   2.240   3.387  -0.835
   10    H    ALA   2           H        ALA   2   3.829  -0.618   0.406
   11    HA   ALA   2           HA       ALA   2   4.735  -2.888  -1.243
   12    HB1  ALA   2          1HB       ALA   2   6.250  -0.719   0.062
   13    HB2  ALA   2          2HB       ALA   2   6.940  -2.337   0.187
   14    HB3  ALA   2          3HB       ALA   2   6.611  -1.640  -1.398
   15    H    ARG   3           H        ARG   3   4.866  -1.639   2.099
   16    HA   ARG   3           HA       ARG   3   4.438  -4.401   3.035
   17    HB2  ARG   3          2HB       ARG   3   6.235  -2.235   4.069
   18    HB3  ARG   3          3HB       ARG   3   5.615  -3.459   5.169
   19    HG2  ARG   3          2HG       ARG   3   7.038  -5.002   4.423
   20    HG3  ARG   3          3HG       ARG   3   6.733  -4.590   2.734
   21    HD2  ARG   3          2HD       ARG   3   8.559  -3.302   2.607
   22    HD3  ARG   3          3HD       ARG   3   8.235  -2.542   4.165
   23    HE   ARG   3           HE       ARG   3   9.183  -5.207   4.476
   24   HH11  ARG   3          1HH1      ARG   3  10.202  -1.948   3.796
   25   HH12  ARG   3          2HH1      ARG   3  11.805  -2.183   4.409
   26   HH21  ARG   3          1HH2      ARG   3  11.291  -5.529   5.286
   27   HH22  ARG   3          2HH2      ARG   3  12.424  -4.220   5.255
   28    H    GLY   4           H        GLY   4   4.381  -1.218   4.630
   29    HA2  GLY   4          2HA       GLY   4   1.628  -1.841   5.507
   30    HA3  GLY   4          3HA       GLY   4   2.797  -0.994   6.510
   31    H    TRP   5           H        TRP   5   3.249   0.069   3.424
   32    HA   TRP   5           HA       TRP   5   2.463   2.675   3.874
   33    HB2  TRP   5          2HB       TRP   5   3.629   1.267   1.772
   34    HB3  TRP   5          3HB       TRP   5   2.167   1.956   1.072
   35    HD1  TRP   5           HD1      TRP   5   5.293   2.874   0.507
   36    HE1  TRP   5           HE1      TRP   5   5.836   5.379   0.739
   37    HE3  TRP   5           HE3      TRP   5   1.332   4.298   3.408
   38    HZ2  TRP   5           HZ2      TRP   5   4.732   7.657   1.987
   39    HZ3  TRP   5           HZ3      TRP   5   1.149   6.659   4.078
   40    HH2  TRP   5           HH2      TRP   5   2.816   8.302   3.382
   41    H    GLY   6           H        GLY   6   0.420   2.858   4.770
   42    HA2  GLY   6          2HA       GLY   6  -1.861   1.855   3.233
   43    HA3  GLY   6          3HA       GLY   6  -1.916   2.507   4.864
   44    H    ARG   7           H        ARG   7  -1.673   4.835   5.120
   45    HA   ARG   7           HA       ARG   7  -2.653   6.288   2.751
   46    HB2  ARG   7          2HB       ARG   7  -3.353   6.507   5.659
   47    HB3  ARG   7          3HB       ARG   7  -3.549   7.897   4.600
   48    HG2  ARG   7          2HG       ARG   7  -4.781   5.957   3.156
   49    HG3  ARG   7          3HG       ARG   7  -5.133   5.443   4.807
   50    HD2  ARG   7          2HD       ARG   7  -5.776   7.931   5.169
   51    HD3  ARG   7          3HD       ARG   7  -5.884   7.980   3.410
   52    HE   ARG   7           HE       ARG   7  -7.367   5.801   4.149
   53   HH11  ARG   7          1HH1      ARG   7  -7.398   9.200   4.898
   54   HH12  ARG   7          2HH1      ARG   7  -9.110   9.260   5.161
   55   HH21  ARG   7          1HH2      ARG   7  -9.621   5.866   4.492
   56   HH22  ARG   7          2HH2      ARG   7 -10.373   7.363   4.931
   57    H    LYS   8           H        LYS   8  -1.451   7.448   5.877
   58    HA   LYS   8           HA       LYS   8   0.751   8.795   4.460
   59    HB2  LYS   8          2HB       LYS   8   0.417  10.641   6.224
   60    HB3  LYS   8          3HB       LYS   8  -0.712  10.571   4.878
   61    HG2  LYS   8          2HG       LYS   8  -2.111  10.896   6.676
   62    HG3  LYS   8          3HG       LYS   8  -2.156   9.142   6.487
   63    HD2  LYS   8          2HD       LYS   8  -1.899   9.650   8.819
   64    HD3  LYS   8          3HD       LYS   8  -0.381   8.973   8.226
   65    HE2  LYS   8          2HE       LYS   8  -0.107  10.953   9.715
   66    HE3  LYS   8          3HE       LYS   8   0.622  11.141   8.122
   67    HZ1  LYS   8          1HZ       LYS   8  -2.117  12.106   8.587
   68    HZ2  LYS   8          2HZ       LYS   8  -0.965  12.650   7.474
   69    HZ3  LYS   8          3HZ       LYS   8  -0.807  13.038   9.113
   70    H    CYS   9           H        CYS   9   0.760   6.285   5.911
   71    HA   CYS   9           HA       CYS   9   2.575   7.017   8.115
   72    HB2  CYS   9          2HB       CYS   9   0.714   4.641   7.915
   73    HB3  CYS   9          3HB       CYS   9   1.927   4.847   9.172
   74    HG   CYS   9           HG       CYS   9  -1.033   5.581   9.572
   75    HA   PRO  10           HA       PRO  10   4.973   4.701   4.896
   76    HB2  PRO  10          2HB       PRO  10   7.149   6.319   5.028
   77    HB3  PRO  10          3HB       PRO  10   5.760   6.660   3.990
   78    HG2  PRO  10          2HG       PRO  10   6.436   7.786   6.680
   79    HG3  PRO  10          3HG       PRO  10   5.823   8.620   5.240
   80    HD2  PRO  10          2HD       PRO  10   4.224   7.926   7.312
   81    HD3  PRO  10          3HD       PRO  10   3.647   7.967   5.634
   82    H    LEU  11           H        LEU  11   6.181   3.005   5.469
   83    HA   LEU  11           HA       LEU  11   7.680   3.146   8.003
   84    HB2  LEU  11          2HB       LEU  11   7.322   0.610   8.016
   85    HB3  LEU  11          3HB       LEU  11   5.968   1.648   8.459
   86    HG   LEU  11           HG       LEU  11   6.233   0.638   5.653
   87   HD11  LEU  11          1HD1      LEU  11   5.560  -1.449   6.120
   88   HD12  LEU  11          2HD1      LEU  11   4.526  -0.931   7.450
   89   HD13  LEU  11          3HD1      LEU  11   6.259  -1.132   7.708
   90   HD21  LEU  11          1HD2      LEU  11   4.193   1.498   5.404
   91   HD22  LEU  11          2HD2      LEU  11   4.455   2.311   6.948
   92   HD23  LEU  11          3HD2      LEU  11   3.614   0.761   6.898
   93    H    PHE  12           H        PHE  12   8.548   3.732   5.240
   94    HA   PHE  12           HA       PHE  12  10.681   1.709   5.046
   95    HB2  PHE  12          2HB       PHE  12   9.854   3.263   2.634
   96    HB3  PHE  12          3HB       PHE  12  10.554   1.652   2.741
   97    HD1  PHE  12           HD1      PHE  12   9.199  -0.160   2.349
   98    HD2  PHE  12           HD2      PHE  12   7.444   3.485   3.673
   99    HE1  PHE  12           HE1      PHE  12   6.960  -1.150   2.098
  100    HE2  PHE  12           HE2      PHE  12   5.203   2.500   3.425
  101    HZ   PHE  12           HZ       PHE  12   4.959   0.180   2.638
  102    H    GLY  13           H        GLY  13  10.534   4.310   6.482
  103    HA2  GLY  13          2HA       GLY  13  12.491   5.904   4.980
  104    HA3  GLY  13          3HA       GLY  13  11.578   6.449   6.380
  Start of MODEL   15
    1    H1   VAL   1           H        VAL   1   1.691  -0.384   1.288
    2    HA   VAL   1           HA       VAL   1   1.047  -0.581  -1.583
    3    HB   VAL   1           HB       VAL   1   3.196   1.107  -0.294
    4   HG11  VAL   1          1HG1      VAL   1   4.069   0.195  -2.329
    5   HG12  VAL   1          2HG1      VAL   1   2.582   0.580  -3.198
    6   HG13  VAL   1          3HG1      VAL   1   3.631   1.877  -2.624
    7   HG21  VAL   1          1HG2      VAL   1   0.592   1.739  -0.524
    8   HG22  VAL   1          2HG2      VAL   1   1.893   2.926  -0.620
    9   HG23  VAL   1          3HG2      VAL   1   1.177   2.281  -2.097
   10    H    ALA   2           H        ALA   2   3.712  -0.932   0.759
   11    HA   ALA   2           HA       ALA   2   4.646  -3.251  -0.805
   12    HB1  ALA   2          1HB       ALA   2   6.888  -2.541   0.474
   13    HB2  ALA   2          2HB       ALA   2   6.446  -1.916  -1.115
   14    HB3  ALA   2          3HB       ALA   2   6.124  -0.958   0.331
   15    H    ARG   3           H        ARG   3   4.864  -1.813   2.456
   16    HA   ARG   3           HA       ARG   3   4.603  -4.534   3.558
   17    HB2  ARG   3          2HB       ARG   3   6.318  -2.226   4.429
   18    HB3  ARG   3          3HB       ARG   3   5.838  -3.470   5.576
   19    HG2  ARG   3          2HG       ARG   3   7.249  -4.990   4.720
   20    HG3  ARG   3          3HG       ARG   3   6.964  -4.472   3.057
   21    HD2  ARG   3          2HD       ARG   3   8.282  -2.323   3.989
   22    HD3  ARG   3          3HD       ARG   3   8.989  -3.574   5.011
   23    HE   ARG   3           HE       ARG   3   9.011  -4.440   2.338
   24   HH11  ARG   3          1HH1      ARG   3  10.537  -2.108   4.423
   25   HH12  ARG   3          2HH1      ARG   3  12.013  -2.069   3.516
   26   HH21  ARG   3          1HH2      ARG   3  10.949  -4.398   1.136
   27   HH22  ARG   3          2HH2      ARG   3  12.246  -3.372   1.646
   28    H    GLY   4           H        GLY   4   4.466  -1.270   4.975
   29    HA2  GLY   4          2HA       GLY   4   1.784  -1.961   6.008
   30    HA3  GLY   4          3HA       GLY   4   2.956  -1.014   6.913
   31    H    TRP   5           H        TRP   5   3.230  -0.102   3.758
   32    HA   TRP   5           HA       TRP   5   2.350   2.490   4.106
   33    HB2  TRP   5          2HB       TRP   5   3.494   1.026   2.034
   34    HB3  TRP   5          3HB       TRP   5   1.971   1.602   1.361
   35    HD1  TRP   5           HD1      TRP   5   5.021   2.637   0.611
   36    HE1  TRP   5           HE1      TRP   5   5.445   5.174   0.680
   37    HE3  TRP   5           HE3      TRP   5   1.114   4.031   3.599
   38    HZ2  TRP   5           HZ2      TRP   5   4.278   7.464   1.848
   39    HZ3  TRP   5           HZ3      TRP   5   0.839   6.414   4.145
   40    HH2  TRP   5           HH2      TRP   5   2.390   8.094   3.287
   41    H    GLY   6           H        GLY   6   0.339   2.621   5.088
   42    HA2  GLY   6          2HA       GLY   6  -1.957   1.439   3.716
   43    HA3  GLY   6          3HA       GLY   6  -1.972   2.197   5.302
   44    H    ARG   7           H        ARG   7  -1.851   4.537   5.401
   45    HA   ARG   7           HA       ARG   7  -2.968   5.791   2.979
   46    HB2  ARG   7          2HB       ARG   7  -4.674   5.800   4.617
   47    HB3  ARG   7          3HB       ARG   7  -3.554   6.252   5.896
   48    HG2  ARG   7          2HG       ARG   7  -3.823   8.425   5.503
   49    HG3  ARG   7          3HG       ARG   7  -3.651   8.215   3.759
   50    HD2  ARG   7          2HD       ARG   7  -6.064   7.177   3.997
   51    HD3  ARG   7          3HD       ARG   7  -6.099   8.173   5.452
   52    HE   ARG   7           HE       ARG   7  -6.330  10.011   4.123
   53   HH11  ARG   7          1HH1      ARG   7  -5.051   7.403   2.204
   54   HH12  ARG   7          2HH1      ARG   7  -5.143   8.281   0.713
   55   HH21  ARG   7          1HH2      ARG   7  -6.456  11.178   2.167
   56   HH22  ARG   7          2HH2      ARG   7  -5.942  10.428   0.693
   57    H    LYS   8           H        LYS   8  -1.718   7.171   5.998
   58    HA   LYS   8           HA       LYS   8   0.357   8.554   4.432
   59    HB2  LYS   8          2HB       LYS   8   0.011  10.504   6.010
   60    HB3  LYS   8          3HB       LYS   8  -1.277  10.224   4.846
   61    HG2  LYS   8          2HG       LYS   8  -2.469  10.603   6.765
   62    HG3  LYS   8          3HG       LYS   8  -2.346   8.842   6.779
   63    HD2  LYS   8          2HD       LYS   8  -0.932   8.820   8.559
   64    HD3  LYS   8          3HD       LYS   8  -0.170  10.347   8.110
   65    HE2  LYS   8          2HE       LYS   8  -1.637  11.577   9.304
   66    HE3  LYS   8          3HE       LYS   8  -2.999  10.533   8.900
   67    HZ1  LYS   8          1HZ       LYS   8  -2.311   8.973  10.556
   68    HZ2  LYS   8          2HZ       LYS   8  -2.395  10.501  11.278
   69    HZ3  LYS   8          3HZ       LYS   8  -0.892   9.838  10.873
   70    H    CYS   9           H        CYS   9   0.538   6.124   6.011
   71    HA   CYS   9           HA       CYS   9   2.400   7.054   8.097
   72    HB2  CYS   9          2HB       CYS   9   0.478   4.740   8.096
   73    HB3  CYS   9          3HB       CYS   9   1.891   4.745   9.145
   74    HG   CYS   9           HG       CYS   9   0.663   5.943  11.043
   75    HA   PRO  10           HA       PRO  10   4.775   4.675   4.906
   76    HB2  PRO  10          2HB       PRO  10   6.873   6.398   4.854
   77    HB3  PRO  10          3HB       PRO  10   5.428   6.614   3.860
   78    HG2  PRO  10          2HG       PRO  10   6.156   7.922   6.452
   79    HG3  PRO  10          3HG       PRO  10   5.445   8.643   4.996
   80    HD2  PRO  10          2HD       PRO  10   3.968   7.994   7.171
   81    HD3  PRO  10          3HD       PRO  10   3.322   7.913   5.520
   82    H    LEU  11           H        LEU  11   6.094   3.076   5.515
   83    HA   LEU  11           HA       LEU  11   7.681   3.429   7.972
   84    HB2  LEU  11          2HB       LEU  11   7.454   0.882   8.131
   85    HB3  LEU  11          3HB       LEU  11   6.072   1.877   8.584
   86    HG   LEU  11           HG       LEU  11   6.263   0.731   5.824
   87   HD11  LEU  11          1HD1      LEU  11   4.712  -0.811   7.780
   88   HD12  LEU  11          2HD1      LEU  11   6.462  -0.923   7.962
   89   HD13  LEU  11          3HD1      LEU  11   5.707  -1.356   6.429
   90   HD21  LEU  11          1HD2      LEU  11   3.696   0.800   7.173
   91   HD22  LEU  11          2HD2      LEU  11   4.178   1.489   5.623
   92   HD23  LEU  11          3HD2      LEU  11   4.463   2.387   7.114
   93    H    PHE  12           H        PHE  12   8.408   3.901   5.147
   94    HA   PHE  12           HA       PHE  12  10.633   1.977   4.973
   95    HB2  PHE  12          2HB       PHE  12   9.631   3.352   2.517
   96    HB3  PHE  12          3HB       PHE  12  10.417   1.786   2.681
   97    HD1  PHE  12           HD1      PHE  12   7.257   3.514   3.644
   98    HD2  PHE  12           HD2      PHE  12   9.142  -0.110   2.447
   99    HE1  PHE  12           HE1      PHE  12   5.061   2.408   3.546
  100    HE2  PHE  12           HE2      PHE  12   6.949  -1.221   2.346
  101    HZ   PHE  12           HZ       PHE  12   4.905   0.038   2.895
  102    H    GLY  13           H        GLY  13  10.423   4.635   6.279
  103    HA2  GLY  13          2HA       GLY  13  12.216   6.250   4.608
  104    HA3  GLY  13          3HA       GLY  13  11.353   6.811   6.032
  Start of MODEL   16
    1    H1   VAL   1           H        VAL   1   1.826  -0.324   1.096
    2    HA   VAL   1           HA       VAL   1   1.187  -0.476  -1.778
    3    HB   VAL   1           HB       VAL   1   3.323   1.206  -0.461
    4   HG11  VAL   1          1HG1      VAL   1   2.715   0.721  -3.373
    5   HG12  VAL   1          2HG1      VAL   1   3.759   2.013  -2.777
    6   HG13  VAL   1          3HG1      VAL   1   4.202   0.327  -2.510
    7   HG21  VAL   1          1HG2      VAL   1   0.715   1.824  -0.685
    8   HG22  VAL   1          2HG2      VAL   1   2.008   3.021  -0.761
    9   HG23  VAL   1          3HG2      VAL   1   1.298   2.394  -2.249
   10    H    ALA   2           H        ALA   2   3.851  -0.846   0.562
   11    HA   ALA   2           HA       ALA   2   4.803  -3.134  -1.036
   12    HB1  ALA   2          1HB       ALA   2   6.596  -1.788  -1.323
   13    HB2  ALA   2          2HB       ALA   2   6.263  -0.847   0.132
   14    HB3  ALA   2          3HB       ALA   2   7.037  -2.426   0.261
   15    H    ARG   3           H        ARG   3   5.007  -1.745   2.247
   16    HA   ARG   3           HA       ARG   3   4.762  -4.485   3.306
   17    HB2  ARG   3          2HB       ARG   3   6.505  -2.202   4.148
   18    HB3  ARG   3          3HB       ARG   3   5.966  -3.363   5.353
   19    HG2  ARG   3          2HG       ARG   3   7.782  -4.521   4.787
   20    HG3  ARG   3          3HG       ARG   3   6.870  -4.988   3.350
   21    HD2  ARG   3          2HD       ARG   3   8.034  -3.584   1.986
   22    HD3  ARG   3          3HD       ARG   3   8.319  -2.404   3.265
   23    HE   ARG   3           HE       ARG   3  10.029  -4.561   2.508
   24   HH11  ARG   3          1HH1      ARG   3   9.013  -2.585   5.189
   25   HH12  ARG   3          2HH1      ARG   3  10.487  -2.799   6.074
   26   HH21  ARG   3          1HH2      ARG   3  11.974  -4.850   3.664
   27   HH22  ARG   3          2HH2      ARG   3  12.171  -4.087   5.205
   28    H    GLY   4           H        GLY   4   4.603  -1.245   4.774
   29    HA2  GLY   4          2HA       GLY   4   1.923  -1.969   5.792
   30    HA3  GLY   4          3HA       GLY   4   3.087  -1.028   6.713
   31    H    TRP   5           H        TRP   5   3.358  -0.067   3.572
   32    HA   TRP   5           HA       TRP   5   2.462   2.514   3.959
   33    HB2  TRP   5          2HB       TRP   5   3.617   1.089   1.865
   34    HB3  TRP   5          3HB       TRP   5   2.091   1.666   1.201
   35    HD1  TRP   5           HD1      TRP   5   5.135   2.730   0.469
   36    HE1  TRP   5           HE1      TRP   5   5.544   5.269   0.577
   37    HE3  TRP   5           HE3      TRP   5   1.216   4.055   3.473
   38    HZ2  TRP   5           HZ2      TRP   5   4.362   7.533   1.777
   39    HZ3  TRP   5           HZ3      TRP   5   0.926   6.428   4.054
   40    HH2  TRP   5           HH2      TRP   5   2.468   8.130   3.224
   41    H    GLY   6           H        GLY   6   0.450   2.618   4.941
   42    HA2  GLY   6          2HA       GLY   6  -1.838   1.443   3.550
   43    HA3  GLY   6          3HA       GLY   6  -1.859   2.176   5.146
   44    H    ARG   7           H        ARG   7  -1.756   4.514   5.284
   45    HA   ARG   7           HA       ARG   7  -2.879   5.798   2.880
   46    HB2  ARG   7          2HB       ARG   7  -4.585   5.776   4.517
   47    HB3  ARG   7          3HB       ARG   7  -3.467   6.210   5.804
   48    HG2  ARG   7          2HG       ARG   7  -3.733   8.390   5.442
   49    HG3  ARG   7          3HG       ARG   7  -3.582   8.206   3.693
   50    HD2  ARG   7          2HD       ARG   7  -5.973   7.215   3.845
   51    HD3  ARG   7          3HD       ARG   7  -6.023   8.016   5.415
   52    HE   ARG   7           HE       ARG   7  -5.183   9.950   3.677
   53   HH11  ARG   7          1HH1      ARG   7  -7.940   7.834   3.877
   54   HH12  ARG   7          2HH1      ARG   7  -9.013   8.943   3.088
   55   HH21  ARG   7          1HH2      ARG   7  -6.585  11.418   2.636
   56   HH22  ARG   7          2HH2      ARG   7  -8.240  10.981   2.382
   57    H    LYS   8           H        LYS   8  -1.636   7.142   5.919
   58    HA   LYS   8           HA       LYS   8   0.431   8.559   4.373
   59    HB2  LYS   8          2HB       LYS   8   0.074  10.485   5.975
   60    HB3  LYS   8          3HB       LYS   8  -1.214  10.212   4.810
   61    HG2  LYS   8          2HG       LYS   8  -2.412  10.552   6.730
   62    HG3  LYS   8          3HG       LYS   8  -2.263   8.793   6.734
   63    HD2  LYS   8          2HD       LYS   8  -0.582   8.833   8.377
   64    HD3  LYS   8          3HD       LYS   8  -0.283  10.557   8.147
   65    HE2  LYS   8          2HE       LYS   8  -2.091  11.176   9.396
   66    HE3  LYS   8          3HE       LYS   8  -3.004   9.722   8.994
   67    HZ1  LYS   8          1HZ       LYS   8  -1.393  10.238  11.261
   68    HZ2  LYS   8          2HZ       LYS   8  -0.801   8.884  10.440
   69    HZ3  LYS   8          3HZ       LYS   8  -2.411   8.921  10.957
   70    H    CYS   9           H        CYS   9   0.628   6.108   5.915
   71    HA   CYS   9           HA       CYS   9   2.482   7.019   8.016
   72    HB2  CYS   9          2HB       CYS   9   0.447   4.841   8.013
   73    HB3  CYS   9          3HB       CYS   9   1.948   4.560   8.887
   74    HG   CYS   9           HG       CYS   9   0.118   5.357  10.777
   75    HA   PRO  10           HA       PRO  10   4.875   4.704   4.793
   76    HB2  PRO  10          2HB       PRO  10   6.962   6.440   4.769
   77    HB3  PRO  10          3HB       PRO  10   5.516   6.662   3.776
   78    HG2  PRO  10          2HG       PRO  10   6.235   7.935   6.389
   79    HG3  PRO  10          3HG       PRO  10   5.520   8.673   4.943
   80    HD2  PRO  10          2HD       PRO  10   4.046   7.983   7.107
   81    HD3  PRO  10          3HD       PRO  10   3.401   7.922   5.454
   82    H    LEU  11           H        LEU  11   6.201   3.102   5.379
   83    HA   LEU  11           HA       LEU  11   7.786   3.429   7.843
   84    HB2  LEU  11          2HB       LEU  11   7.573   0.879   7.965
   85    HB3  LEU  11          3HB       LEU  11   6.183   1.859   8.429
   86    HG   LEU  11           HG       LEU  11   6.388   0.753   5.654
   87   HD11  LEU  11          1HD1      LEU  11   6.594  -0.930   7.768
   88   HD12  LEU  11          2HD1      LEU  11   5.843  -1.346   6.227
   89   HD13  LEU  11          3HD1      LEU  11   4.843  -0.827   7.584
   90   HD21  LEU  11          1HD2      LEU  11   4.299   1.501   5.459
   91   HD22  LEU  11          2HD2      LEU  11   4.575   2.380   6.963
   92   HD23  LEU  11          3HD2      LEU  11   3.817   0.787   6.999
   93    H    PHE  12           H        PHE  12   8.513   3.948   5.027
   94    HA   PHE  12           HA       PHE  12  10.748   2.040   4.825
   95    HB2  PHE  12          2HB       PHE  12   9.740   3.445   2.389
   96    HB3  PHE  12          3HB       PHE  12  10.535   1.881   2.531
   97    HD1  PHE  12           HD1      PHE  12   9.271  -0.018   2.265
   98    HD2  PHE  12           HD2      PHE  12   7.364   3.576   3.517
   99    HE1  PHE  12           HE1      PHE  12   7.085  -1.140   2.145
  100    HE2  PHE  12           HE2      PHE  12   5.175   2.459   3.400
  101    HZ   PHE  12           HZ       PHE  12   5.033   0.098   2.714
  102    H    GLY  13           H        GLY  13  10.512   4.683   6.164
  103    HA2  GLY  13          2HA       GLY  13  12.434   6.231   4.548
  104    HA3  GLY  13          3HA       GLY  13  11.393   6.907   5.793
  Start of MODEL   17
    1    H1   VAL   1           H        VAL   1   1.892   0.231   0.714
    2    HA   VAL   1           HA       VAL   1   1.689   0.088  -2.224
    3    HB   VAL   1           HB       VAL   1   3.748   1.592  -0.604
    4   HG11  VAL   1          1HG1      VAL   1   4.607   2.307  -2.830
    5   HG12  VAL   1          2HG1      VAL   1   4.841   0.591  -2.490
    6   HG13  VAL   1          3HG1      VAL   1   3.548   1.109  -3.573
    7   HG21  VAL   1          1HG2      VAL   1   2.140   2.922  -2.690
    8   HG22  VAL   1          2HG2      VAL   1   1.276   2.447  -1.228
    9   HG23  VAL   1          3HG2      VAL   1   2.674   3.515  -1.118
   10    H    ALA   2           H        ALA   2   3.918  -0.475   0.502
   11    HA   ALA   2           HA       ALA   2   4.881  -2.876  -0.914
   12    HB1  ALA   2          1HB       ALA   2   6.827  -1.738  -0.926
   13    HB2  ALA   2          2HB       ALA   2   6.353  -0.698   0.419
   14    HB3  ALA   2          3HB       ALA   2   6.939  -2.332   0.731
   15    H    ARG   3           H        ARG   3   4.717  -1.442   2.352
   16    HA   ARG   3           HA       ARG   3   4.051  -4.123   3.380
   17    HB2  ARG   3          2HB       ARG   3   5.815  -1.973   4.512
   18    HB3  ARG   3          3HB       ARG   3   5.045  -3.144   5.575
   19    HG2  ARG   3          2HG       ARG   3   6.735  -4.517   5.192
   20    HG3  ARG   3          3HG       ARG   3   6.202  -4.641   3.514
   21    HD2  ARG   3          2HD       ARG   3   7.725  -3.070   2.777
   22    HD3  ARG   3          3HD       ARG   3   7.872  -2.317   4.364
   23    HE   ARG   3           HE       ARG   3   9.574  -3.761   4.831
   24   HH11  ARG   3          1HH1      ARG   3   7.702  -5.059   2.199
   25   HH12  ARG   3          2HH1      ARG   3   8.780  -6.385   1.914
   26   HH21  ARG   3          1HH2      ARG   3  11.002  -5.502   4.466
   27   HH22  ARG   3          2HH2      ARG   3  10.657  -6.636   3.205
   28    H    GLY   4           H        GLY   4   3.987  -0.856   4.794
   29    HA2  GLY   4          2HA       GLY   4   1.127  -1.302   5.395
   30    HA3  GLY   4          3HA       GLY   4   2.224  -0.450   6.472
   31    H    TRP   5           H        TRP   5   3.051   0.406   3.399
   32    HA   TRP   5           HA       TRP   5   2.358   3.067   3.619
   33    HB2  TRP   5          2HB       TRP   5   3.656   1.479   1.728
   34    HB3  TRP   5          3HB       TRP   5   2.315   2.203   0.844
   35    HD1  TRP   5           HD1      TRP   5   5.527   2.925   0.560
   36    HE1  TRP   5           HE1      TRP   5   6.188   5.407   0.723
   37    HE3  TRP   5           HE3      TRP   5   1.385   4.711   2.966
   38    HZ2  TRP   5           HZ2      TRP   5   5.098   7.805   1.737
   39    HZ3  TRP   5           HZ3      TRP   5   1.273   7.112   3.496
   40    HH2  TRP   5           HH2      TRP   5   3.092   8.624   2.894
   41    H    GLY   6           H        GLY   6   0.248   3.408   4.274
   42    HA2  GLY   6          2HA       GLY   6  -1.913   2.413   2.569
   43    HA3  GLY   6          3HA       GLY   6  -2.101   3.171   4.143
   44    H    ARG   7           H        ARG   7  -1.666   5.510   4.267
   45    HA   ARG   7           HA       ARG   7  -2.315   6.851   1.724
   46    HB2  ARG   7          2HB       ARG   7  -3.280   8.590   3.545
   47    HB3  ARG   7          3HB       ARG   7  -4.249   7.323   2.805
   48    HG2  ARG   7          2HG       ARG   7  -2.756   6.699   5.300
   49    HG3  ARG   7          3HG       ARG   7  -4.221   7.678   5.403
   50    HD2  ARG   7          2HD       ARG   7  -5.566   5.939   4.921
   51    HD3  ARG   7          3HD       ARG   7  -4.452   5.282   3.722
   52    HE   ARG   7           HE       ARG   7  -3.619   3.890   5.327
   53   HH11  ARG   7          1HH1      ARG   7  -5.328   6.496   6.879
   54   HH12  ARG   7          2HH1      ARG   7  -5.189   5.816   8.467
   55   HH21  ARG   7          1HH2      ARG   7  -3.429   2.984   7.412
   56   HH22  ARG   7          2HH2      ARG   7  -4.108   3.818   8.769
   57    H    LYS   8           H        LYS   8  -1.473   8.104   4.934
   58    HA   LYS   8           HA       LYS   8   0.937   9.317   3.754
   59    HB2  LYS   8          2HB       LYS   8   0.496  11.255   5.349
   60    HB3  LYS   8          3HB       LYS   8  -0.559  11.131   3.947
   61    HG2  LYS   8          2HG       LYS   8  -1.997  11.625   5.709
   62    HG3  LYS   8          3HG       LYS   8  -2.166   9.881   5.492
   63    HD2  LYS   8          2HD       LYS   8  -0.886   9.409   7.400
   64    HD3  LYS   8          3HD       LYS   8  -0.221  11.043   7.465
   65    HE2  LYS   8          2HE       LYS   8  -1.789  11.420   9.017
   66    HE3  LYS   8          3HE       LYS   8  -2.910  11.503   7.660
   67    HZ1  LYS   8          1HZ       LYS   8  -2.740   8.847   8.164
   68    HZ2  LYS   8          2HZ       LYS   8  -3.979   9.866   8.700
   69    HZ3  LYS   8          3HZ       LYS   8  -2.675   9.514   9.718
   70    H    CYS   9           H        CYS   9   0.646   6.859   5.285
   71    HA   CYS   9           HA       CYS   9   2.234   7.596   7.656
   72    HB2  CYS   9          2HB       CYS   9   0.165   5.435   7.302
   73    HB3  CYS   9          3HB       CYS   9   1.368   5.361   8.585
   74    HG   CYS   9           HG       CYS   9  -0.914   6.263   9.800
   75    HA   PRO  10           HA       PRO  10   4.856   5.037   4.814
   76    HB2  PRO  10          2HB       PRO  10   7.077   6.570   5.111
   77    HB3  PRO  10          3HB       PRO  10   5.824   6.916   3.913
   78    HG2  PRO  10          2HG       PRO  10   6.259   8.144   6.608
   79    HG3  PRO  10          3HG       PRO  10   5.842   8.931   5.074
   80    HD2  PRO  10          2HD       PRO  10   4.001   8.404   6.989
   81    HD3  PRO  10          3HD       PRO  10   3.610   8.387   5.257
   82    H    LEU  11           H        LEU  11   5.912   3.322   5.593
   83    HA   LEU  11           HA       LEU  11   7.143   3.528   8.262
   84    HB2  LEU  11          2HB       LEU  11   6.659   1.017   8.362
   85    HB3  LEU  11          3HB       LEU  11   5.318   2.135   8.602
   86    HG   LEU  11           HG       LEU  11   5.830   0.965   5.895
   87   HD11  LEU  11          1HD1      LEU  11   3.867  -0.436   7.561
   88   HD12  LEU  11          2HD1      LEU  11   5.547  -0.689   8.032
   89   HD13  LEU  11          3HD1      LEU  11   5.026  -1.067   6.390
   90   HD21  LEU  11          1HD2      LEU  11   3.103   1.267   6.851
   91   HD22  LEU  11          2HD2      LEU  11   3.864   1.885   5.385
   92   HD23  LEU  11          3HD2      LEU  11   4.010   2.779   6.899
   93    H    PHE  12           H        PHE  12   8.314   3.922   5.574
   94    HA   PHE  12           HA       PHE  12  10.358   1.804   5.710
   95    HB2  PHE  12          2HB       PHE  12   9.859   3.250   3.146
   96    HB3  PHE  12          3HB       PHE  12  10.460   1.617   3.412
   97    HD1  PHE  12           HD1      PHE  12   7.371   3.643   3.915
   98    HD2  PHE  12           HD2      PHE  12   9.058  -0.150   2.975
   99    HE1  PHE  12           HE1      PHE  12   5.118   2.751   3.487
  100    HE2  PHE  12           HE2      PHE  12   6.808  -1.048   2.544
  101    HZ   PHE  12           HZ       PHE  12   4.835   0.403   2.800
  102    H    GLY  13           H        GLY  13  10.193   4.483   6.987
  103    HA2  GLY  13          2HA       GLY  13  12.515   5.761   5.685
  104    HA3  GLY  13          3HA       GLY  13  11.334   6.615   6.667
  Start of MODEL   18
    1    H1   VAL   1           H        VAL   1   1.750   0.183   0.701
    2    HA   VAL   1           HA       VAL   1   1.303   0.208  -2.213
    3    HB   VAL   1           HB       VAL   1   3.492   1.626  -0.686
    4   HG11  VAL   1          1HG1      VAL   1   4.158   2.473  -2.934
    5   HG12  VAL   1          2HG1      VAL   1   4.425   0.743  -2.710
    6   HG13  VAL   1          3HG1      VAL   1   3.044   1.309  -3.650
    7   HG21  VAL   1          1HG2      VAL   1   2.381   3.569  -0.995
    8   HG22  VAL   1          2HG2      VAL   1   1.716   3.070  -2.551
    9   HG23  VAL   1          3HG2      VAL   1   0.976   2.504  -1.053
   10    H    ALA   2           H        ALA   2   3.752  -0.500   0.281
   11    HA   ALA   2           HA       ALA   2   4.591  -2.813  -1.345
   12    HB1  ALA   2          1HB       ALA   2   6.779  -2.353   0.156
   13    HB2  ALA   2          2HB       ALA   2   6.533  -1.672  -1.453
   14    HB3  ALA   2          3HB       ALA   2   6.170  -0.707  -0.022
   15    H    ARG   3           H        ARG   3   4.703  -1.568   2.000
   16    HA   ARG   3           HA       ARG   3   4.123  -4.306   2.925
   17    HB2  ARG   3          2HB       ARG   3   5.958  -2.210   4.053
   18    HB3  ARG   3          3HB       ARG   3   5.303  -3.482   5.074
   19    HG2  ARG   3          2HG       ARG   3   6.588  -5.092   4.135
   20    HG3  ARG   3          3HG       ARG   3   6.577  -4.327   2.544
   21    HD2  ARG   3          2HD       ARG   3   8.594  -3.495   2.948
   22    HD3  ARG   3          3HD       ARG   3   7.933  -2.582   4.304
   23    HE   ARG   3           HE       ARG   3   8.390  -5.187   5.178
   24   HH11  ARG   3          1HH1      ARG   3  10.209  -2.439   4.056
   25   HH12  ARG   3          2HH1      ARG   3  11.624  -2.835   4.975
   26   HH21  ARG   3          1HH2      ARG   3  10.246  -5.720   6.393
   27   HH22  ARG   3          2HH2      ARG   3  11.644  -4.702   6.303
   28    H    GLY   4           H        GLY   4   4.181  -1.127   4.527
   29    HA2  GLY   4          2HA       GLY   4   1.381  -1.618   5.338
   30    HA3  GLY   4          3HA       GLY   4   2.566  -0.824   6.366
   31    H    TRP   5           H        TRP   5   3.131   0.208   3.287
   32    HA   TRP   5           HA       TRP   5   2.460   2.850   3.715
   33    HB2  TRP   5          2HB       TRP   5   3.592   1.376   1.635
   34    HB3  TRP   5          3HB       TRP   5   2.183   2.146   0.910
   35    HD1  TRP   5           HD1      TRP   5   5.362   2.892   0.399
   36    HE1  TRP   5           HE1      TRP   5   6.040   5.362   0.649
   37    HE3  TRP   5           HE3      TRP   5   1.441   4.526   3.244
   38    HZ2  TRP   5           HZ2      TRP   5   5.045   7.694   1.889
   39    HZ3  TRP   5           HZ3      TRP   5   1.380   6.891   3.920
   40    HH2  TRP   5           HH2      TRP   5   3.145   8.441   3.256
   41    H    GLY   6           H        GLY   6   0.414   3.148   4.562
   42    HA2  GLY   6          2HA       GLY   6  -1.883   2.245   2.985
   43    HA3  GLY   6          3HA       GLY   6  -1.940   2.901   4.614
   44    H    ARG   7           H        ARG   7  -1.496   5.229   4.851
   45    HA   ARG   7           HA       ARG   7  -2.364   6.724   2.463
   46    HB2  ARG   7          2HB       ARG   7  -3.121   8.332   4.522
   47    HB3  ARG   7          3HB       ARG   7  -4.180   7.180   3.720
   48    HG2  ARG   7          2HG       ARG   7  -3.911   5.586   5.435
   49    HG3  ARG   7          3HG       ARG   7  -2.548   6.461   6.135
   50    HD2  ARG   7          2HD       ARG   7  -3.907   7.691   7.392
   51    HD3  ARG   7          3HD       ARG   7  -4.857   8.165   5.985
   52    HE   ARG   7           HE       ARG   7  -5.495   6.115   7.901
   53   HH11  ARG   7          1HH1      ARG   7  -6.018   7.287   4.665
   54   HH12  ARG   7          2HH1      ARG   7  -7.549   6.496   4.486
   55   HH21  ARG   7          1HH2      ARG   7  -7.510   5.070   7.678
   56   HH22  ARG   7          2HH2      ARG   7  -8.397   5.236   6.201
   57    H    LYS   8           H        LYS   8  -1.237   7.795   5.650
   58    HA   LYS   8           HA       LYS   8   1.067   9.072   4.333
   59    HB2  LYS   8          2HB       LYS   8   0.801  11.017   5.769
   60    HB3  LYS   8          3HB       LYS   8  -0.670  10.745   4.844
   61    HG2  LYS   8          2HG       LYS   8  -0.412   9.644   7.609
   62    HG3  LYS   8          3HG       LYS   8  -0.828  11.340   7.356
   63    HD2  LYS   8          2HD       LYS   8  -2.571  10.246   5.666
   64    HD3  LYS   8          3HD       LYS   8  -2.394   8.886   6.777
   65    HE2  LYS   8          2HE       LYS   8  -4.072   9.981   7.846
   66    HE3  LYS   8          3HE       LYS   8  -2.706  10.828   8.570
   67    HZ1  LYS   8          1HZ       LYS   8  -4.273  12.442   7.860
   68    HZ2  LYS   8          2HZ       LYS   8  -4.403  11.754   6.321
   69    HZ3  LYS   8          3HZ       LYS   8  -2.969  12.521   6.786
   70    H    CYS   9           H        CYS   9   0.913   6.534   5.737
   71    HA   CYS   9           HA       CYS   9   2.696   7.142   8.003
   72    HB2  CYS   9          2HB       CYS   9   0.616   4.981   7.706
   73    HB3  CYS   9          3HB       CYS   9   1.913   4.869   8.890
   74    HG   CYS   9           HG       CYS   9  -0.422   7.370   8.783
   75    HA   PRO  10           HA       PRO  10   5.065   4.760   4.807
   76    HB2  PRO  10          2HB       PRO  10   7.305   6.280   5.005
   77    HB3  PRO  10          3HB       PRO  10   5.957   6.691   3.939
   78    HG2  PRO  10          2HG       PRO  10   6.619   7.761   6.656
   79    HG3  PRO  10          3HG       PRO  10   6.076   8.635   5.211
   80    HD2  PRO  10          2HD       PRO  10   4.402   7.991   7.240
   81    HD3  PRO  10          3HD       PRO  10   3.866   8.074   5.550
   82    H    LEU  11           H        LEU  11   6.176   3.004   5.395
   83    HA   LEU  11           HA       LEU  11   7.630   3.059   7.957
   84    HB2  LEU  11          2HB       LEU  11   7.149   0.546   7.955
   85    HB3  LEU  11          3HB       LEU  11   5.835   1.645   8.368
   86    HG   LEU  11           HG       LEU  11   6.119   0.631   5.566
   87   HD11  LEU  11          1HD1      LEU  11   6.012  -1.142   7.622
   88   HD12  LEU  11          2HD1      LEU  11   5.357  -1.429   6.010
   89   HD13  LEU  11          3HD1      LEU  11   4.298  -0.869   7.305
   90   HD21  LEU  11          1HD2      LEU  11   3.482   0.870   6.763
   91   HD22  LEU  11          2HD2      LEU  11   4.118   1.569   5.274
   92   HD23  LEU  11          3HD2      LEU  11   4.391   2.380   6.817
   93    H    PHE  12           H        PHE  12   8.570   3.610   5.206
   94    HA   PHE  12           HA       PHE  12  10.612   1.493   5.046
   95    HB2  PHE  12          2HB       PHE  12   9.900   3.081   2.620
   96    HB3  PHE  12          3HB       PHE  12  10.517   1.436   2.741
   97    HD1  PHE  12           HD1      PHE  12   7.488   3.425   3.620
   98    HD2  PHE  12           HD2      PHE  12   9.078  -0.305   2.325
   99    HE1  PHE  12           HE1      PHE  12   5.205   2.554   3.336
  100    HE2  PHE  12           HE2      PHE  12   6.797  -1.181   2.037
  101    HZ   PHE  12           HZ       PHE  12   4.857   0.249   2.542
  102    H    GLY  13           H        GLY  13  10.569   4.089   6.487
  103    HA2  GLY  13          2HA       GLY  13  12.260   5.908   5.073
  104    HA3  GLY  13          3HA       GLY  13  11.880   5.960   6.788
  Start of MODEL   19
    1    H1   VAL   1           H        VAL   1   1.824   0.011   0.732
    2    HA   VAL   1           HA       VAL   1   1.395  -0.072  -2.185
    3    HB   VAL   1           HB       VAL   1   3.604   1.334  -0.678
    4   HG11  VAL   1          1HG1      VAL   1   3.149   0.908  -3.621
    5   HG12  VAL   1          2HG1      VAL   1   4.201   2.174  -2.985
    6   HG13  VAL   1          3HG1      VAL   1   4.566   0.478  -2.664
    7   HG21  VAL   1          1HG2      VAL   1   1.101   2.246  -1.036
    8   HG22  VAL   1          2HG2      VAL   1   2.520   3.293  -0.998
    9   HG23  VAL   1          3HG2      VAL   1   1.839   2.786  -2.544
   10    H    ALA   2           H        ALA   2   3.793  -0.790   0.352
   11    HA   ALA   2           HA       ALA   2   4.635  -3.123  -1.243
   12    HB1  ALA   2          1HB       ALA   2   6.638  -2.135  -1.285
   13    HB2  ALA   2          2HB       ALA   2   6.200  -0.991  -0.016
   14    HB3  ALA   2          3HB       ALA   2   6.762  -2.608   0.410
   15    H    ARG   3           H        ARG   3   4.755  -1.882   2.104
   16    HA   ARG   3           HA       ARG   3   4.039  -4.590   3.021
   17    HB2  ARG   3          2HB       ARG   3   5.282  -3.332   5.169
   18    HB3  ARG   3          3HB       ARG   3   5.969  -4.589   4.149
   19    HG2  ARG   3          2HG       ARG   3   7.038  -2.979   2.755
   20    HG3  ARG   3          3HG       ARG   3   6.185  -1.651   3.543
   21    HD2  ARG   3          2HD       ARG   3   8.248  -1.559   4.569
   22    HD3  ARG   3          3HD       ARG   3   7.331  -2.555   5.698
   23    HE   ARG   3           HE       ARG   3   8.485  -4.355   4.015
   24   HH11  ARG   3          1HH1      ARG   3   9.679  -1.753   5.996
   25   HH12  ARG   3          2HH1      ARG   3  11.217  -2.500   6.279
   26   HH21  ARG   3          1HH2      ARG   3  10.505  -5.349   4.380
   27   HH22  ARG   3          2HH2      ARG   3  11.686  -4.545   5.359
   28    H    GLY   4           H        GLY   4   4.245  -1.365   4.531
   29    HA2  GLY   4          2HA       GLY   4   1.442  -1.727   5.397
   30    HA3  GLY   4          3HA       GLY   4   2.672  -0.991   6.415
   31    H    TRP   5           H        TRP   5   3.195  -0.049   3.271
   32    HA   TRP   5           HA       TRP   5   2.626   2.646   3.735
   33    HB2  TRP   5          2HB       TRP   5   3.941   1.252   1.783
   34    HB3  TRP   5          3HB       TRP   5   2.513   1.812   0.916
   35    HD1  TRP   5           HD1      TRP   5   5.536   2.887   0.401
   36    HE1  TRP   5           HE1      TRP   5   5.966   5.419   0.565
   37    HE3  TRP   5           HE3      TRP   5   1.485   4.217   3.221
   38    HZ2  TRP   5           HZ2      TRP   5   4.750   7.681   1.736
   39    HZ3  TRP   5           HZ3      TRP   5   1.192   6.585   3.821
   40    HH2  TRP   5           HH2      TRP   5   2.792   8.280   3.093
   41    H    GLY   6           H        GLY   6   0.474   2.637   4.603
   42    HA2  GLY   6          2HA       GLY   6  -1.719   1.896   2.856
   43    HA3  GLY   6          3HA       GLY   6  -1.852   2.548   4.482
   44    H    ARG   7           H        ARG   7  -2.028   4.744   4.789
   45    HA   ARG   7           HA       ARG   7  -2.613   6.279   2.364
   46    HB2  ARG   7          2HB       ARG   7  -3.580   6.322   5.155
   47    HB3  ARG   7          3HB       ARG   7  -3.391   7.898   4.397
   48    HG2  ARG   7          2HG       ARG   7  -5.031   7.500   2.840
   49    HG3  ARG   7          3HG       ARG   7  -4.847   5.747   2.937
   50    HD2  ARG   7          2HD       ARG   7  -6.833   6.046   4.055
   51    HD3  ARG   7          3HD       ARG   7  -5.682   6.094   5.390
   52    HE   ARG   7           HE       ARG   7  -6.211   8.687   4.314
   53   HH11  ARG   7          1HH1      ARG   7  -7.418   6.228   6.462
   54   HH12  ARG   7          2HH1      ARG   7  -8.319   7.339   7.439
   55   HH21  ARG   7          1HH2      ARG   7  -7.393  10.160   5.593
   56   HH22  ARG   7          2HH2      ARG   7  -8.304   9.576   6.943
   57    H    LYS   8           H        LYS   8  -1.511   7.407   5.537
   58    HA   LYS   8           HA       LYS   8   0.789   8.683   4.212
   59    HB2  LYS   8          2HB       LYS   8   0.472  10.551   5.916
   60    HB3  LYS   8          3HB       LYS   8  -0.696  10.474   4.604
   61    HG2  LYS   8          2HG       LYS   8  -2.011  10.867   6.466
   62    HG3  LYS   8          3HG       LYS   8  -2.137   9.120   6.251
   63    HD2  LYS   8          2HD       LYS   8  -0.861   8.664   8.104
   64    HD3  LYS   8          3HD       LYS   8   0.020  10.190   8.006
   65    HE2  LYS   8          2HE       LYS   8  -2.866  10.438   8.510
   66    HE3  LYS   8          3HE       LYS   8  -1.947   9.659   9.797
   67    HZ1  LYS   8          1HZ       LYS   8  -1.350  12.318   8.615
   68    HZ2  LYS   8          2HZ       LYS   8  -0.473  11.571   9.853
   69    HZ3  LYS   8          3HZ       LYS   8  -2.073  12.048  10.121
   70    H    CYS   9           H        CYS   9   0.693   6.164   5.621
   71    HA   CYS   9           HA       CYS   9   2.418   6.819   7.919
   72    HB2  CYS   9          2HB       CYS   9   0.500   4.511   7.563
   73    HB3  CYS   9          3HB       CYS   9   1.704   4.583   8.844
   74    HG   CYS   9           HG       CYS   9  -1.284   5.564   9.069
   75    HA   PRO  10           HA       PRO  10   4.897   4.525   4.725
   76    HB2  PRO  10          2HB       PRO  10   7.047   6.176   4.864
   77    HB3  PRO  10          3HB       PRO  10   5.669   6.481   3.800
   78    HG2  PRO  10          2HG       PRO  10   6.288   7.658   6.482
   79    HG3  PRO  10          3HG       PRO  10   5.685   8.461   5.020
   80    HD2  PRO  10          2HD       PRO  10   4.066   7.775   7.079
   81    HD3  PRO  10          3HD       PRO  10   3.514   7.782   5.392
   82    H    LEU  11           H        LEU  11   6.252   2.915   5.269
   83    HA   LEU  11           HA       LEU  11   7.615   3.076   7.876
   84    HB2  LEU  11          2HB       LEU  11   7.412   0.480   7.703
   85    HB3  LEU  11          3HB       LEU  11   6.068   1.448   8.305
   86    HG   LEU  11           HG       LEU  11   6.206   0.646   5.420
   87   HD11  LEU  11          1HD1      LEU  11   6.238  -1.221   7.444
   88   HD12  LEU  11          2HD1      LEU  11   5.653  -1.478   5.801
   89   HD13  LEU  11          3HD1      LEU  11   4.521  -1.042   7.081
   90   HD21  LEU  11          1HD2      LEU  11   4.491   2.237   6.891
   91   HD22  LEU  11          2HD2      LEU  11   3.640   0.697   6.776
   92   HD23  LEU  11          3HD2      LEU  11   4.163   1.528   5.310
   93    H    PHE  12           H        PHE  12   8.599   3.803   5.209
   94    HA   PHE  12           HA       PHE  12  10.811   1.865   5.017
   95    HB2  PHE  12          2HB       PHE  12  10.010   3.572   2.688
   96    HB3  PHE  12          3HB       PHE  12  10.852   2.026   2.697
   97    HD1  PHE  12           HD1      PHE  12   9.689   0.143   2.083
   98    HD2  PHE  12           HD2      PHE  12   7.547   3.486   3.617
   99    HE1  PHE  12           HE1      PHE  12   7.565  -1.017   1.636
  100    HE2  PHE  12           HE2      PHE  12   5.420   2.331   3.173
  101    HZ   PHE  12           HZ       PHE  12   5.427   0.077   2.182
  102    H    GLY  13           H        GLY  13  10.541   4.320   6.643
  103    HA2  GLY  13          2HA       GLY  13  12.111   6.378   5.441
  104    HA3  GLY  13          3HA       GLY  13  11.710   6.240   7.146
  Start of MODEL   20
    1    H1   VAL   1           H        VAL   1   1.384   0.357   1.133
    2    HA   VAL   1           HA       VAL   1   0.702   0.260  -1.735
    3    HB   VAL   1           HB       VAL   1   3.117   1.542  -0.449
    4   HG11  VAL   1          1HG1      VAL   1   3.846   0.590  -2.491
    5   HG12  VAL   1          2HG1      VAL   1   2.386   1.107  -3.336
    6   HG13  VAL   1          3HG1      VAL   1   3.573   2.302  -2.811
    7   HG21  VAL   1          1HG2      VAL   1   2.135   3.560  -0.717
    8   HG22  VAL   1          2HG2      VAL   1   1.299   3.079  -2.193
    9   HG23  VAL   1          3HG2      VAL   1   0.652   2.610  -0.621
   10    H    ALA   2           H        ALA   2   3.259  -0.573   0.603
   11    HA   ALA   2           HA       ALA   2   3.809  -2.982  -1.007
   12    HB1  ALA   2          1HB       ALA   2   6.114  -2.650   0.364
   13    HB2  ALA   2          2HB       ALA   2   5.830  -2.026  -1.261
   14    HB3  ALA   2          3HB       ALA   2   5.624  -0.970   0.137
   15    H    ARG   3           H        ARG   3   4.294  -1.696   2.290
   16    HA   ARG   3           HA       ARG   3   3.494  -4.338   3.322
   17    HB2  ARG   3          2HB       ARG   3   4.990  -3.127   5.330
   18    HB3  ARG   3          3HB       ARG   3   5.510  -4.439   4.282
   19    HG2  ARG   3          2HG       ARG   3   6.550  -2.918   2.769
   20    HG3  ARG   3          3HG       ARG   3   5.852  -1.529   3.604
   21    HD2  ARG   3          2HD       ARG   3   8.000  -1.554   4.444
   22    HD3  ARG   3          3HD       ARG   3   7.122  -2.472   5.668
   23    HE   ARG   3           HE       ARG   3   8.262  -4.108   3.600
   24   HH11  ARG   3          1HH1      ARG   3   8.850  -2.526   6.645
   25   HH12  ARG   3          2HH1      ARG   3  10.133  -3.596   7.102
   26   HH21  ARG   3          1HH2      ARG   3   9.951  -5.524   4.191
   27   HH22  ARG   3          2HH2      ARG   3  10.759  -5.300   5.705
   28    H    GLY   4           H        GLY   4   4.028  -1.110   4.744
   29    HA2  GLY   4          2HA       GLY   4   1.291  -1.278   5.847
   30    HA3  GLY   4          3HA       GLY   4   2.646  -0.608   6.744
   31    H    TRP   5           H        TRP   5   2.954   0.250   3.546
   32    HA   TRP   5           HA       TRP   5   2.601   2.984   4.002
   33    HB2  TRP   5          2HB       TRP   5   3.653   1.478   1.976
   34    HB3  TRP   5          3HB       TRP   5   2.195   2.116   1.220
   35    HD1  TRP   5           HD1      TRP   5   5.228   2.985   0.435
   36    HE1  TRP   5           HE1      TRP   5   5.828   5.487   0.509
   37    HE3  TRP   5           HE3      TRP   5   1.517   4.618   3.548
   38    HZ2  TRP   5           HZ2      TRP   5   4.857   7.841   1.726
   39    HZ3  TRP   5           HZ3      TRP   5   1.423   7.010   4.118
   40    HH2  TRP   5           HH2      TRP   5   3.060   8.586   3.226
   41    H    GLY   6           H        GLY   6   0.534   3.127   5.049
   42    HA2  GLY   6          2HA       GLY   6  -1.841   2.507   3.502
   43    HA3  GLY   6          3HA       GLY   6  -1.796   3.181   5.125
   44    H    ARG   7           H        ARG   7  -1.835   5.380   5.414
   45    HA   ARG   7           HA       ARG   7  -2.527   6.928   3.028
   46    HB2  ARG   7          2HB       ARG   7  -3.225   7.058   5.892
   47    HB3  ARG   7          3HB       ARG   7  -2.990   8.615   5.108
   48    HG2  ARG   7          2HG       ARG   7  -5.097   8.466   4.435
   49    HG3  ARG   7          3HG       ARG   7  -4.567   7.197   3.328
   50    HD2  ARG   7          2HD       ARG   7  -5.487   6.742   6.164
   51    HD3  ARG   7          3HD       ARG   7  -6.495   6.533   4.733
   52    HE   ARG   7           HE       ARG   7  -4.523   4.719   5.726
   53   HH11  ARG   7          1HH1      ARG   7  -6.113   5.855   2.844
   54   HH12  ARG   7          2HH1      ARG   7  -5.852   4.386   1.964
   55   HH21  ARG   7          1HH2      ARG   7  -4.173   2.780   4.578
   56   HH22  ARG   7          2HH2      ARG   7  -4.749   2.637   2.951
   57    H    LYS   8           H        LYS   8  -1.065   8.034   6.058
   58    HA   LYS   8           HA       LYS   8   1.186   9.123   4.501
   59    HB2  LYS   8          2HB       LYS   8   1.152  11.133   5.859
   60    HB3  LYS   8          3HB       LYS   8  -0.418  10.906   5.099
   61    HG2  LYS   8          2HG       LYS   8   0.081   9.920   7.877
   62    HG3  LYS   8          3HG       LYS   8  -0.311  11.614   7.574
   63    HD2  LYS   8          2HD       LYS   8  -2.242  10.472   6.124
   64    HD3  LYS   8          3HD       LYS   8  -1.999   9.191   7.314
   65    HE2  LYS   8          2HE       LYS   8  -2.033  11.488   8.841
   66    HE3  LYS   8          3HE       LYS   8  -3.250  11.805   7.605
   67    HZ1  LYS   8          1HZ       LYS   8  -4.239  10.734   9.510
   68    HZ2  LYS   8          2HZ       LYS   8  -3.156   9.440   9.399
   69    HZ3  LYS   8          3HZ       LYS   8  -4.302   9.690   8.180
   70    H    CYS   9           H        CYS   9   1.070   6.647   5.964
   71    HA   CYS   9           HA       CYS   9   3.023   7.232   8.092
   72    HB2  CYS   9          2HB       CYS   9   0.840   5.165   7.966
   73    HB3  CYS   9          3HB       CYS   9   2.236   4.951   9.016
   74    HG   CYS   9           HG       CYS   9  -0.500   6.483   9.697
   75    HA   PRO  10           HA       PRO  10   5.070   4.732   4.752
   76    HB2  PRO  10          2HB       PRO  10   7.325   6.243   4.675
   77    HB3  PRO  10          3HB       PRO  10   5.883   6.620   3.725
   78    HG2  PRO  10          2HG       PRO  10   6.802   7.795   6.320
   79    HG3  PRO  10          3HG       PRO  10   6.128   8.613   4.898
   80    HD2  PRO  10          2HD       PRO  10   4.651   8.064   7.100
   81    HD3  PRO  10          3HD       PRO  10   3.958   8.082   5.466
   82    H    LEU  11           H        LEU  11   6.357   3.045   5.215
   83    HA   LEU  11           HA       LEU  11   7.949   3.157   7.693
   84    HB2  LEU  11          2HB       LEU  11   7.565   0.578   7.596
   85    HB3  LEU  11          3HB       LEU  11   6.341   1.643   8.285
   86    HG   LEU  11           HG       LEU  11   6.184   0.781   5.418
   87   HD11  LEU  11          1HD1      LEU  11   5.529  -1.293   5.894
   88   HD12  LEU  11          2HD1      LEU  11   4.539  -0.759   7.252
   89   HD13  LEU  11          3HD1      LEU  11   6.264  -1.045   7.478
   90   HD21  LEU  11          1HD2      LEU  11   3.746   1.024   6.967
   91   HD22  LEU  11          2HD2      LEU  11   4.207   1.805   5.454
   92   HD23  LEU  11          3HD2      LEU  11   4.702   2.506   6.995
   93    H    PHE  12           H        PHE  12   8.747   3.777   4.940
   94    HA   PHE  12           HA       PHE  12  10.803   1.694   4.601
   95    HB2  PHE  12          2HB       PHE  12   9.916   3.414   2.313
   96    HB3  PHE  12          3HB       PHE  12  10.655   1.816   2.283
   97    HD1  PHE  12           HD1      PHE  12   9.326   0.005   1.807
   98    HD2  PHE  12           HD2      PHE  12   7.542   3.503   3.451
   99    HE1  PHE  12           HE1      PHE  12   7.102  -1.020   1.565
  100    HE2  PHE  12           HE2      PHE  12   5.316   2.483   3.212
  101    HZ   PHE  12           HZ       PHE  12   5.094   0.219   2.269
  102    H    GLY  13           H        GLY  13  10.822   4.197   6.185
  103    HA2  GLY  13          2HA       GLY  13  12.916   5.685   4.733
  104    HA3  GLY  13          3HA       GLY  13  11.915   6.357   6.011