*HEADER    UNKNOWN FUNCTION                        16-DEC-13   2MID              
*TITLE     SOLUTION STRUCTURE OF THE CLAVATA ENCODED PEPTIDE OF ARABIDOPSIS      
*TITLE    2 THALIANA - ATCLE10                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CLAVATA3/ESR (CLE)-RELATED PROTEIN 10;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 96-107;                                       
*COMPND   5 SYNONYM: CLE10P;                                                     
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
*SOURCE   4 ORGANISM_COMMON: MOUSE-EAR CRESS,THALE-CRESS;                        
*SOURCE   5 ORGANISM_TAXID: 3702                                                 
*KEYWDS    CLE, CLAVATA, UNKNOWN FUNCTION                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    B.G.BOBAY, P.M.DIGENNARO, D.M.BIRD                                    
*REVDAT   1   14-JAN-15 2MID    0                                                


assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name  HB2) 2.424 0.734 0.734 weight 1.000 ! spec=noesy_300ms, no=0, id=0, vol=1.504510e+03
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    1 and name   HA) 2.288 0.654 0.654 weight 1.000 ! spec=noesy_300ms, no=1, id=1, vol=2.126408e+03
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HB1) 2.689 0.889 3.311 weight 1.000 ! spec=noesy_300ms, no=2, id=2, vol=8.072917e+02
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HA) 2.104 0.553 0.553 weight 1.000 ! spec=noesy_300ms, no=4, id=4, vol=3.519881e+03
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name   HA) 3.037 1.153 1.153 weight 1.000 ! spec=noesy_300ms, no=5, id=5, vol=3.888213e+02
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name  HG1) 3.527 1.555 1.555 weight 1.000 ! spec=noesy_300ms, no=7, id=7, vol=1.584224e+02
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name  HB1) 3.050 1.163 1.163 weight 1.000 ! spec=noesy_300ms, no=8, id=8, vol=3.785240e+02
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    9 and name  HG2) 2.933 1.075 1.075 weight 1.000 ! spec=noesy_300ms, no=11, id=11, vol=4.793531e+02
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid   10 and name  HB2) 2.378 0.707 0.707 weight 1.000 ! spec=noesy_300ms, no=12, id=12, vol=1.684781e+03
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    9 and name  HB2) 3.129 1.224 1.224 weight 1.000 ! spec=noesy_300ms, no=13, id=13, vol=3.246189e+02
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name  HB2) 3.005 1.129 1.129 weight 1.000 ! spec=noesy_300ms, no=14, id=14, vol=4.137852e+02
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name   HA) 3.133 1.227 1.227 weight 1.000 ! spec=noesy_300ms, no=15, id=15, vol=3.225387e+02
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name   HA) 2.302 0.663 0.663 weight 1.000 ! spec=noesy_300ms, no=16, id=16, vol=2.047381e+03
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HA1) 2.847 1.013 1.013 weight 1.000 ! spec=noesy_300ms, no=17, id=17, vol=5.728469e+02
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HA2) 2.807 0.985 0.985 weight 1.000 ! spec=noesy_300ms, no=18, id=18, vol=6.230325e+02
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name  HB2) 2.888 1.043 1.043 weight 1.000 ! spec=noesy_300ms, no=19, id=19, vol=5.252986e+02
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    1 and name  HB2) 3.730 1.739 1.739 weight 1.000 ! spec=noesy_300ms, no=23, id=23, vol=1.133036e+02
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    4 and name   HA) 2.509 0.709 3.491 weight 1.000 ! spec=noesy_300ms, no=28, id=28, vol=1.221009e+03
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    2 and name   HA) 2.503 0.783 0.783 weight 1.000 ! spec=noesy_300ms, no=30, id=30, vol=1.241050e+03
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB1) 2.809 0.986 0.986 weight 1.000 ! spec=noesy_300ms, no=32, id=32, vol=6.213228e+02
assign (segid "    " and resid    6 and name  HA1) (segid "    " and resid    6 and name  HA2) 1.651 0.341 0.341 weight 1.000 ! spec=noesy_300ms, no=33, id=33, vol=1.504894e+04
assign (segid "    " and resid    9 and name  HD2) (segid "    " and resid    9 and name  HG2) 2.679 0.897 0.897 weight 1.000 ! spec=noesy_300ms, no=37, id=37, vol=8.240568e+02
assign (segid "    " and resid    9 and name  HD2) (segid "    " and resid    9 and name  HG1) 2.610 0.852 0.852 weight 1.000 ! spec=noesy_300ms, no=38, id=38, vol=9.639876e+02
assign (segid "    " and resid    7 and name  HD2) (segid "    " and resid    7 and name  HG1) 1.918 0.460 0.460 weight 1.000 ! spec=noesy_300ms, no=40, id=40, vol=6.120784e+03
assign (segid "    " and resid    7 and name  HD2) (segid "    " and resid    6 and name  HA2) 2.410 0.726 0.726 weight 1.000 ! spec=noesy_300ms, no=41, id=41, vol=1.555807e+03
assign (segid "    " and resid    7 and name  HD2) (segid "    " and resid    6 and name  HA1) 2.288 0.655 0.655 weight 1.000 ! spec=noesy_300ms, no=42, id=42, vol=2.122812e+03
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name   HA) 3.215 1.292 1.292 weight 1.000 ! spec=noesy_300ms, no=44, id=44, vol=2.758889e+02
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HB1) 1.612 0.325 0.325 weight 1.000 ! spec=noesy_300ms, no=45, id=45, vol=1.739118e+04
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HB2) 2.990 1.118 1.118 weight 1.000 ! spec=noesy_300ms, no=47, id=46, vol=4.265109e+02
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid    8 and name  HB1) 1.967 0.484 0.484 weight 1.000 ! spec=noesy_300ms, no=54, id=50, vol=5.261255e+03
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HA) 3.245 1.317 1.317 weight 1.000 ! spec=noesy_300ms, no=57, id=53, vol=2.609282e+02
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name  HG2) 2.081 0.541 0.541 weight 1.000 ! spec=noesy_300ms, no=58, id=54, vol=3.758663e+03
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name   HA) 2.690 0.905 0.905 weight 1.000 ! spec=noesy_300ms, no=59, id=55, vol=8.039312e+02
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name  HG1) 2.586 0.836 0.836 weight 1.000 ! spec=noesy_300ms, no=60, id=56, vol=1.018494e+03
assign (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name HG12) 2.180 0.594 0.594 weight 1.000 ! spec=noesy_300ms, no=64, id=60, vol=2.836960e+03
    or (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name HG11)
    or (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name HG13)
assign (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name   HA) 3.478 1.512 1.512 weight 1.000 ! spec=noesy_300ms, no=65, id=61, vol=1.722033e+02
assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid    9 and name  HG2) 2.392 0.715 0.715 weight 1.000 ! spec=noesy_300ms, no=68, id=64, vol=1.628765e+03
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name  HB1) 2.119 0.561 0.561 weight 1.000 ! spec=noesy_300ms, no=71, id=66, vol=3.364380e+03
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name  HB2) 2.861 1.023 1.023 weight 1.000 ! spec=noesy_300ms, no=76, id=71, vol=5.560044e+02
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    2 and name  HB1) 2.865 1.026 1.026 weight 1.000 ! spec=noesy_300ms, no=79, id=74, vol=5.518891e+02
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name  HB1) 1.619 0.328 0.328 weight 1.000 ! spec=noesy_50ms, no=14, id=86, vol=2.798296e+04
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name  HG2) 1.888 0.445 0.445 weight 1.000 ! spec=noesy_50ms, no=17, id=89, vol=1.113600e+04
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name   HA) 1.801 0.405 0.405 weight 1.000 ! spec=noesy_300ms, no=10, id=10, vol=8.936510e+03
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid    9 and name   HA)
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    4 and name   HA) 2.193 0.393 3.807 weight 1.000 ! spec=noesy_300ms, no=24, id=24, vol=2.744615e+03
    or (segid "    " and resid   11 and name   HN) (segid "    " and resid    4 and name   HA)
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name   HA) 2.174 0.591 0.591 weight 1.000 ! spec=noesy_300ms, no=27, id=27, vol=2.887783e+03
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid    9 and name  HD2) (segid "    " and resid    9 and name   HA) 1.952 0.476 0.476 weight 1.000 ! spec=noesy_300ms, no=39, id=39, vol=5.513133e+03
    or (segid "    " and resid    9 and name  HD2) (segid "    " and resid    7 and name   HA)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    7 and name  HG1) 3.476 1.510 1.510 weight 1.000 ! spec=noesy_300ms, no=53, id=49, vol=1.728976e+02
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid    9 and name  HG2)
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid    8 and name   HA) 3.273 1.339 1.339 weight 1.000 ! spec=noesy_300ms, no=56, id=52, vol=2.478770e+02
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HG1) 2.237 0.626 0.626 weight 1.000 ! spec=noesy_300ms, no=62, id=58, vol=2.431564e+03
    or (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name  HG1)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HA) 2.304 0.663 0.663 weight 1.000 ! spec=noesy_300ms, no=63, id=59, vol=2.040944e+03
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HA)
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name   HB) 2.281 0.650 0.650 weight 1.000 ! spec=noesy_300ms, no=77, id=72, vol=2.166518e+03
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid    9 and name  HG1)
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    2 and name  HB2) 1.861 0.433 0.433 weight 1.000 ! spec=noesy_300ms, no=78, id=73, vol=7.332129e+03
    or (segid "    " and resid    2 and name   HN) (segid "    " and resid   10 and name  HB2)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HB1) 1.830 0.418 0.418 weight 1.000 ! spec=noesy_50ms, no=8, id=83, vol=1.342094e+04
    or (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name  HB1)

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           HT1      ARG   1  -1.008   0.341  -6.166
    2    H2   ARG   1           HT2      ARG   1   0.067   1.271  -5.255
    3    H3   ARG   1           HT3      ARG   1  -1.598   1.503  -5.089
    4    HA   ARG   1           HA       ARG   1  -0.687   0.289  -3.236
    5    HB2  ARG   1           HB2      ARG   1  -2.261  -1.637  -3.326
    6    HB3  ARG   1           HB1      ARG   1  -2.989  -0.104  -3.776
    7    HG2  ARG   1           HG2      ARG   1  -2.846  -0.708  -6.120
    8    HG3  ARG   1           HG1      ARG   1  -2.101  -2.249  -5.688
    9    HD2  ARG   1           HD2      ARG   1  -4.870  -1.300  -4.957
   10    HD3  ARG   1           HD1      ARG   1  -4.461  -2.572  -6.108
   11    HE   ARG   1           HE       ARG   1  -3.347  -3.504  -3.855
   12   HH11  ARG   1          HH11      ARG   1  -6.521  -2.156  -4.454
   13   HH12  ARG   1          HH12      ARG   1  -7.303  -3.131  -3.255
   14   HH21  ARG   1          HH21      ARG   1  -4.360  -4.772  -2.255
   15   HH22  ARG   1          HH22      ARG   1  -6.067  -4.608  -1.978
   16    H    LEU   2           HN       LEU   2   1.578  -0.010  -3.668
   17    HA   LEU   2           HA       LEU   2   2.227  -2.750  -4.521
   18    HB2  LEU   2           HB2      LEU   2   2.831  -1.211  -6.273
   19    HB3  LEU   2           HB1      LEU   2   3.629  -0.160  -5.122
   20    HG   LEU   2           HG       LEU   2   5.328  -1.944  -4.744
   21   HD11  LEU   2          HD11      LEU   2   5.465  -3.802  -6.319
   22   HD12  LEU   2          HD12      LEU   2   3.937  -3.306  -7.046
   23   HD13  LEU   2          HD13      LEU   2   3.976  -3.875  -5.377
   24   HD21  LEU   2          HD21      LEU   2   5.763  -0.129  -6.295
   25   HD22  LEU   2          HD22      LEU   2   4.976  -1.027  -7.593
   26   HD23  LEU   2          HD23      LEU   2   6.472  -1.630  -6.887
   27    H    VAL   3           HN       VAL   3   2.856  -0.026  -2.452
   28    HA   VAL   3           HA       VAL   3   4.415  -1.689  -0.627
   29    HB   VAL   3           HB       VAL   3   6.023   0.187  -0.259
   30   HG11  VAL   3          HG11      VAL   3   5.974  -0.912  -3.064
   31   HG12  VAL   3          HG12      VAL   3   6.692  -1.681  -1.650
   32   HG13  VAL   3          HG13      VAL   3   7.371  -0.181  -2.277
   33   HG21  VAL   3          HG21      VAL   3   6.219   1.955  -1.938
   34   HG22  VAL   3          HG22      VAL   3   4.655   2.011  -1.126
   35   HG23  VAL   3          HG23      VAL   3   4.780   1.344  -2.753
   36    HA   PRO   4           HA       PRO   4   1.999   0.565   2.368
   37    HB2  PRO   4           HB2      PRO   4   4.246   0.644   4.242
   38    HB3  PRO   4           HB1      PRO   4   2.731  -0.253   4.360
   39    HG2  PRO   4           HG2      PRO   4   5.111  -1.468   3.936
   40    HG3  PRO   4           HG1      PRO   4   3.586  -2.096   3.286
   41    HD2  PRO   4           HD2      PRO   4   5.726  -0.520   1.904
   42    HD3  PRO   4           HD1      PRO   4   4.796  -1.914   1.315
   43    H    SER   5           HN       SER   5   2.372   2.377   0.765
   44    HA   SER   5           HA       SER   5   3.035   4.796   1.996
   45    HB2  SER   5           HB2      SER   5   5.376   3.916   1.710
   46    HB3  SER   5           HB1      SER   5   5.101   3.876  -0.030
   47    HG   SER   5           HG       SER   5   5.563   6.021   1.654
   48    H    GLY   6           HN       GLY   6   2.906   6.603   0.347
   49    HA2  GLY   6           HA2      GLY   6   1.879   7.581  -1.472
   50    HA3  GLY   6           HA1      GLY   6   1.928   6.017  -2.272
   51    HA   PRO   7           HA       PRO   7  -2.485   6.666  -1.110
   52    HB2  PRO   7           HB2      PRO   7  -3.561   6.667  -3.574
   53    HB3  PRO   7           HB1      PRO   7  -2.877   8.135  -2.867
   54    HG2  PRO   7           HG2      PRO   7  -1.690   6.270  -4.879
   55    HG3  PRO   7           HG1      PRO   7  -1.620   8.040  -4.815
   56    HD2  PRO   7           HD2      PRO   7   0.403   6.361  -3.972
   57    HD3  PRO   7           HD1      PRO   7   0.182   8.029  -3.414
   58    H    ASN   8           HN       ASN   8  -3.848   5.016  -0.820
   59    HA   ASN   8           HA       ASN   8  -4.351   2.839  -0.439
   60    HB2  ASN   8           HB2      ASN   8  -3.841   2.696  -3.419
   61    HB3  ASN   8           HB1      ASN   8  -4.574   1.400  -2.480
   62   HD21  ASN   8          HD21      ASN   8  -5.018   4.512  -3.898
   63   HD22  ASN   8          HD22      ASN   8  -6.721   4.624  -3.625
   64    HA   PRO   9           HA       PRO   9   0.364   1.993  -0.324
   65    HB2  PRO   9           HB2      PRO   9  -0.598   1.558   2.476
   66    HB3  PRO   9           HB1      PRO   9   0.945   2.204   1.904
   67    HG2  PRO   9           HG2      PRO   9  -0.876   3.861   2.796
   68    HG3  PRO   9           HG1      PRO   9   0.010   4.256   1.313
   69    HD2  PRO   9           HD2      PRO   9  -2.786   3.238   1.630
   70    HD3  PRO   9           HD1      PRO   9  -2.142   4.438   0.478
   71    H    LEU  10           HN       LEU  10   0.007   0.146  -1.565
   72    HA   LEU  10           HA       LEU  10   0.079  -2.060  -2.001
   73    HB2  LEU  10           HB2      LEU  10   1.793  -2.110  -0.323
   74    HB3  LEU  10           HB1      LEU  10   0.601  -2.221   0.959
   75    HG   LEU  10           HG       LEU  10  -0.050  -4.458   0.173
   76   HD11  LEU  10          HD11      LEU  10   1.303  -5.599  -1.522
   77   HD12  LEU  10          HD12      LEU  10   2.170  -4.096  -1.836
   78   HD13  LEU  10          HD13      LEU  10   0.446  -4.211  -2.191
   79   HD21  LEU  10          HD21      LEU  10   1.679  -4.233   1.876
   80   HD22  LEU  10          HD22      LEU  10   2.915  -4.140   0.622
   81   HD23  LEU  10          HD23      LEU  10   1.988  -5.625   0.839
   82    H    HIS  11           HN       HIS  11  -1.441  -2.351   1.209
   83    HA   HIS  11           HA       HIS  11  -3.616  -3.832  -0.088
   84    HB2  HIS  11           HB2      HIS  11  -2.316  -4.882   1.797
   85    HB3  HIS  11           HB1      HIS  11  -2.970  -3.645   2.863
   86    HD1  HIS  11           HD1      HIS  11  -3.920  -6.752   1.013
   87    HD2  HIS  11           HD2      HIS  11  -5.647  -4.005   3.607
   88    HE1  HIS  11           HE1      HIS  11  -6.072  -7.802   1.777
   89    HE2  HIS  11           HE2      HIS  11  -7.157  -6.073   3.250
   90    H    ASN  12           HN       ASN  12  -2.873  -0.863   1.346
   91    HA   ASN  12           HA       ASN  12  -4.024   0.973   1.980
   92    HB2  ASN  12           HB2      ASN  12  -5.173   0.713  -0.201
   93    HB3  ASN  12           HB1      ASN  12  -6.385  -0.303   0.576
   94   HD21  ASN  12          HD21      ASN  12  -7.858   0.643   2.009
   95   HD22  ASN  12          HD22      ASN  12  -8.144   2.348   2.024
  Start of MODEL    2
    1    H1   ARG   1           HT1      ARG   1   1.713   1.673  -6.036
    2    H2   ARG   1           HT2      ARG   1   2.132   2.322  -4.537
    3    H3   ARG   1           HT3      ARG   1   0.586   2.575  -5.161
    4    HA   ARG   1           HA       ARG   1   0.604   0.914  -3.405
    5    HB2  ARG   1           HB2      ARG   1  -0.623  -0.830  -4.656
    6    HB3  ARG   1           HB1      ARG   1  -1.133   0.793  -5.083
    7    HG2  ARG   1           HG2      ARG   1   0.442   0.594  -7.068
    8    HG3  ARG   1           HG1      ARG   1   0.512  -1.128  -6.687
    9    HD2  ARG   1           HD2      ARG   1  -1.184  -0.775  -8.356
   10    HD3  ARG   1           HD1      ARG   1  -1.963  -1.210  -6.834
   11    HE   ARG   1           HE       ARG   1  -1.704   1.633  -7.407
   12   HH11  ARG   1          HH11      ARG   1  -3.758  -1.204  -7.391
   13   HH12  ARG   1          HH12      ARG   1  -5.228  -0.290  -7.517
   14   HH21  ARG   1          HH21      ARG   1  -3.640   2.830  -7.581
   15   HH22  ARG   1          HH22      ARG   1  -5.163   1.998  -7.623
   16    H    LEU   2           HN       LEU   2   0.794  -1.751  -3.568
   17    HA   LEU   2           HA       LEU   2   2.150  -3.573  -3.537
   18    HB2  LEU   2           HB2      LEU   2   4.033  -1.924  -5.220
   19    HB3  LEU   2           HB1      LEU   2   4.258  -3.619  -4.834
   20    HG   LEU   2           HG       LEU   2   1.958  -2.491  -6.431
   21   HD11  LEU   2          HD11      LEU   2   3.018  -3.593  -8.334
   22   HD12  LEU   2          HD12      LEU   2   4.372  -4.063  -7.309
   23   HD13  LEU   2          HD13      LEU   2   4.069  -2.359  -7.639
   24   HD21  LEU   2          HD21      LEU   2   1.460  -4.845  -6.916
   25   HD22  LEU   2          HD22      LEU   2   1.312  -4.476  -5.197
   26   HD23  LEU   2          HD23      LEU   2   2.732  -5.334  -5.796
   27    H    VAL   3           HN       VAL   3   3.413  -0.463  -2.763
   28    HA   VAL   3           HA       VAL   3   4.884  -1.634  -0.507
   29    HB   VAL   3           HB       VAL   3   6.342  -0.476  -2.179
   30   HG11  VAL   3          HG11      VAL   3   4.822   1.207  -2.984
   31   HG12  VAL   3          HG12      VAL   3   6.265   1.980  -2.329
   32   HG13  VAL   3          HG13      VAL   3   4.768   1.969  -1.395
   33   HG21  VAL   3          HG21      VAL   3   7.557   0.937  -0.575
   34   HG22  VAL   3          HG22      VAL   3   7.079  -0.610   0.119
   35   HG23  VAL   3          HG23      VAL   3   6.179   0.853   0.522
   36    HA   PRO   4           HA       PRO   4   1.840   0.570   1.905
   37    HB2  PRO   4           HB2      PRO   4   3.157   0.659   4.287
   38    HB3  PRO   4           HB1      PRO   4   2.363  -0.795   3.671
   39    HG2  PRO   4           HG2      PRO   4   5.255  -0.034   3.582
   40    HG3  PRO   4           HG1      PRO   4   4.523  -1.605   3.957
   41    HD2  PRO   4           HD2      PRO   4   5.584  -1.047   1.536
   42    HD3  PRO   4           HD1      PRO   4   4.183  -2.119   1.733
   43    H    SER   5           HN       SER   5   2.766   2.381   0.327
   44    HA   SER   5           HA       SER   5   3.209   4.690   2.005
   45    HB2  SER   5           HB2      SER   5   5.216   3.964  -0.154
   46    HB3  SER   5           HB1      SER   5   5.196   5.472   0.762
   47    HG   SER   5           HG       SER   5   5.136   3.438   2.484
   48    H    GLY   6           HN       GLY   6   2.549   6.607   1.000
   49    HA2  GLY   6           HA2      GLY   6   1.503   7.929  -0.580
   50    HA3  GLY   6           HA1      GLY   6   1.852   6.697  -1.784
   51    HA   PRO   7           HA       PRO   7  -2.681   6.389  -0.914
   52    HB2  PRO   7           HB2      PRO   7  -3.560   6.745  -3.438
   53    HB3  PRO   7           HB1      PRO   7  -3.202   8.114  -2.379
   54    HG2  PRO   7           HG2      PRO   7  -1.552   6.933  -4.573
   55    HG3  PRO   7           HG1      PRO   7  -1.816   8.637  -4.164
   56    HD2  PRO   7           HD2      PRO   7   0.422   7.211  -3.450
   57    HD3  PRO   7           HD1      PRO   7  -0.179   8.624  -2.562
   58    H    ASN   8           HN       ASN   8  -3.876   4.596  -1.194
   59    HA   ASN   8           HA       ASN   8  -4.092   2.337  -1.273
   60    HB2  ASN   8           HB2      ASN   8  -3.026   2.758  -4.077
   61    HB3  ASN   8           HB1      ASN   8  -3.669   1.234  -3.480
   62   HD21  ASN   8          HD21      ASN   8  -5.056   4.334  -2.612
   63   HD22  ASN   8          HD22      ASN   8  -6.518   4.132  -3.508
   64    HA   PRO   9           HA       PRO   9   0.538   1.907  -0.387
   65    HB2  PRO   9           HB2      PRO   9  -0.472   1.313   2.312
   66    HB3  PRO   9           HB1      PRO   9   0.807   2.418   1.808
   67    HG2  PRO   9           HG2      PRO   9  -1.567   3.293   2.711
   68    HG3  PRO   9           HG1      PRO   9  -0.645   4.159   1.469
   69    HD2  PRO   9           HD2      PRO   9  -3.048   2.414   1.177
   70    HD3  PRO   9           HD1      PRO   9  -2.610   3.908   0.302
   71    H    LEU  10           HN       LEU  10  -0.771  -0.020  -1.740
   72    HA   LEU  10           HA       LEU  10  -0.783  -2.235  -2.149
   73    HB2  LEU  10           HB2      LEU  10   1.406  -2.421  -1.351
   74    HB3  LEU  10           HB1      LEU  10   0.911  -2.226   0.323
   75    HG   LEU  10           HG       LEU  10  -0.204  -4.453   0.214
   76   HD11  LEU  10          HD11      LEU  10  -0.518  -4.492  -2.243
   77   HD12  LEU  10          HD12      LEU  10   0.227  -5.954  -1.600
   78   HD13  LEU  10          HD13      LEU  10   1.215  -4.751  -2.423
   79   HD21  LEU  10          HD21      LEU  10   2.029  -4.211   1.149
   80   HD22  LEU  10          HD22      LEU  10   2.735  -4.425  -0.453
   81   HD23  LEU  10          HD23      LEU  10   1.861  -5.752   0.309
   82    H    HIS  11           HN       HIS  11  -1.278  -1.798   1.353
   83    HA   HIS  11           HA       HIS  11  -3.460  -3.730   1.277
   84    HB2  HIS  11           HB2      HIS  11  -2.403  -2.142   3.629
   85    HB3  HIS  11           HB1      HIS  11  -3.504  -3.513   3.700
   86    HD1  HIS  11           HD1      HIS  11  -2.411  -5.859   2.842
   87    HD2  HIS  11           HD2      HIS  11   0.224  -2.792   3.819
   88    HE1  HIS  11           HE1      HIS  11  -0.175  -6.964   3.181
   89    HE2  HIS  11           HE2      HIS  11   1.362  -5.112   3.920
   90    H    ASN  12           HN       ASN  12  -4.469  -2.115  -0.272
   91    HA   ASN  12           HA       ASN  12  -5.475   0.336   0.822
   92    HB2  ASN  12           HB2      ASN  12  -5.003   0.187  -1.573
   93    HB3  ASN  12           HB1      ASN  12  -6.173  -1.123  -1.737
   94   HD21  ASN  12          HD21      ASN  12  -7.452  -0.051  -3.189
   95   HD22  ASN  12          HD22      ASN  12  -8.426   1.314  -2.759
  Start of MODEL    3
    1    H1   ARG   1           HT1      ARG   1   0.081   0.004  -5.750
    2    H2   ARG   1           HT2      ARG   1   1.254  -1.057  -6.336
    3    H3   ARG   1           HT3      ARG   1   1.675   0.130  -5.208
    4    HA   ARG   1           HA       ARG   1   0.285  -0.908  -3.540
    5    HB2  ARG   1           HB2      ARG   1  -0.170  -2.946  -5.726
    6    HB3  ARG   1           HB1      ARG   1  -0.589  -3.201  -4.041
    7    HG2  ARG   1           HG2      ARG   1  -2.199  -1.445  -4.106
    8    HG3  ARG   1           HG1      ARG   1  -1.695  -0.974  -5.730
    9    HD2  ARG   1           HD2      ARG   1  -2.935  -3.614  -4.953
   10    HD3  ARG   1           HD1      ARG   1  -3.765  -2.286  -5.764
   11    HE   ARG   1           HE       ARG   1  -1.535  -2.946  -7.299
   12   HH11  ARG   1          HH11      ARG   1  -4.544  -4.408  -6.294
   13   HH12  ARG   1          HH12      ARG   1  -4.680  -5.407  -7.704
   14   HH21  ARG   1          HH21      ARG   1  -1.708  -4.261  -9.166
   15   HH22  ARG   1          HH22      ARG   1  -3.068  -5.327  -9.333
   16    H    LEU   2           HN       LEU   2   2.933  -0.564  -3.874
   17    HA   LEU   2           HA       LEU   2   4.006  -3.116  -2.935
   18    HB2  LEU   2           HB2      LEU   2   5.125  -1.273  -5.013
   19    HB3  LEU   2           HB1      LEU   2   6.157  -2.382  -4.129
   20    HG   LEU   2           HG       LEU   2   3.851  -3.171  -5.918
   21   HD11  LEU   2          HD11      LEU   2   5.612  -4.047  -7.392
   22   HD12  LEU   2          HD12      LEU   2   6.834  -3.356  -6.324
   23   HD13  LEU   2          HD13      LEU   2   5.721  -2.297  -7.192
   24   HD21  LEU   2          HD21      LEU   2   4.721  -5.456  -5.630
   25   HD22  LEU   2          HD22      LEU   2   4.144  -4.765  -4.114
   26   HD23  LEU   2          HD23      LEU   2   5.875  -4.852  -4.439
   27    H    VAL   3           HN       VAL   3   4.619  -2.746  -0.906
   28    HA   VAL   3           HA       VAL   3   5.588  -1.819   0.923
   29    HB   VAL   3           HB       VAL   3   6.712   0.231  -1.002
   30   HG11  VAL   3          HG11      VAL   3   8.302   0.778   0.771
   31   HG12  VAL   3          HG12      VAL   3   7.478  -0.336   1.861
   32   HG13  VAL   3          HG13      VAL   3   6.644   1.105   1.276
   33   HG21  VAL   3          HG21      VAL   3   7.476  -2.045  -1.455
   34   HG22  VAL   3          HG22      VAL   3   7.982  -2.216   0.226
   35   HG23  VAL   3          HG23      VAL   3   8.785  -1.048  -0.823
   36    HA   PRO   4           HA       PRO   4   2.223   0.868   2.012
   37    HB2  PRO   4           HB2      PRO   4   3.733   1.344   4.509
   38    HB3  PRO   4           HB1      PRO   4   2.114   0.678   4.286
   39    HG2  PRO   4           HG2      PRO   4   4.182  -0.868   5.011
   40    HG3  PRO   4           HG1      PRO   4   2.897  -1.466   3.947
   41    HD2  PRO   4           HD2      PRO   4   5.665  -0.571   3.261
   42    HD3  PRO   4           HD1      PRO   4   4.708  -1.907   2.590
   43    H    SER   5           HN       SER   5   2.931   2.427   0.425
   44    HA   SER   5           HA       SER   5   3.692   4.930   1.652
   45    HB2  SER   5           HB2      SER   5   5.366   5.295  -0.290
   46    HB3  SER   5           HB1      SER   5   5.884   4.283   1.060
   47    HG   SER   5           HG       SER   5   5.009   2.490  -0.322
   48    H    GLY   6           HN       GLY   6   2.898   6.710   0.507
   49    HA2  GLY   6           HA2      GLY   6   1.626   7.831  -1.071
   50    HA3  GLY   6           HA1      GLY   6   1.735   6.415  -2.107
   51    HA   PRO   7           HA       PRO   7  -2.490   6.484  -0.199
   52    HB2  PRO   7           HB2      PRO   7  -3.999   7.357  -2.239
   53    HB3  PRO   7           HB1      PRO   7  -3.136   8.487  -1.188
   54    HG2  PRO   7           HG2      PRO   7  -2.467   7.572  -3.944
   55    HG3  PRO   7           HG1      PRO   7  -2.235   9.163  -3.200
   56    HD2  PRO   7           HD2      PRO   7  -0.271   7.190  -3.506
   57    HD3  PRO   7           HD1      PRO   7  -0.170   8.599  -2.436
   58    H    ASN   8           HN       ASN   8  -3.944   4.889  -0.344
   59    HA   ASN   8           HA       ASN   8  -4.539   2.727  -0.708
   60    HB2  ASN   8           HB2      ASN   8  -4.465   3.667  -3.583
   61    HB3  ASN   8           HB1      ASN   8  -5.278   2.214  -3.010
   62   HD21  ASN   8          HD21      ASN   8  -7.208   2.400  -1.901
   63   HD22  ASN   8          HD22      ASN   8  -8.093   3.884  -1.813
   64    HA   PRO   9           HA       PRO   9  -0.117   1.506  -1.912
   65    HB2  PRO   9           HB2      PRO   9  -0.147   0.475   0.854
   66    HB3  PRO   9           HB1      PRO   9   1.098   1.403   0.016
   67    HG2  PRO   9           HG2      PRO   9  -0.420   2.503   1.929
   68    HG3  PRO   9           HG1      PRO   9   0.115   3.429   0.515
   69    HD2  PRO   9           HD2      PRO   9  -2.558   2.219   1.092
   70    HD3  PRO   9           HD1      PRO   9  -2.163   3.778   0.314
   71    H    LEU  10           HN       LEU  10   0.633  -0.902  -0.600
   72    HA   LEU  10           HA       LEU  10  -0.710  -2.861  -2.065
   73    HB2  LEU  10           HB2      LEU  10   1.528  -3.193  -1.140
   74    HB3  LEU  10           HB1      LEU  10   0.880  -3.143   0.487
   75    HG   LEU  10           HG       LEU  10  -0.378  -5.218   0.048
   76   HD11  LEU  10          HD11      LEU  10   0.139  -6.532  -1.960
   77   HD12  LEU  10          HD12      LEU  10   1.069  -5.175  -2.597
   78   HD13  LEU  10          HD13      LEU  10  -0.670  -5.015  -2.352
   79   HD21  LEU  10          HD21      LEU  10   2.577  -5.386  -0.512
   80   HD22  LEU  10          HD22      LEU  10   1.555  -6.719   0.021
   81   HD23  LEU  10          HD23      LEU  10   1.818  -5.332   1.078
   82    H    HIS  11           HN       HIS  11  -1.196  -1.692   1.203
   83    HA   HIS  11           HA       HIS  11  -3.508  -3.418   1.593
   84    HB2  HIS  11           HB2      HIS  11  -1.947  -3.005   3.473
   85    HB3  HIS  11           HB1      HIS  11  -2.313  -1.287   3.388
   86    HD1  HIS  11           HD1      HIS  11  -3.640  -4.533   4.626
   87    HD2  HIS  11           HD2      HIS  11  -4.842  -0.560   4.424
   88    HE1  HIS  11           HE1      HIS  11  -5.612  -4.342   6.165
   89    HE2  HIS  11           HE2      HIS  11  -6.381  -1.955   5.963
   90    H    ASN  12           HN       ASN  12  -5.050  -2.690   0.168
   91    HA   ASN  12           HA       ASN  12  -5.985   0.061   0.614
   92    HB2  ASN  12           HB2      ASN  12  -6.908  -0.137  -1.797
   93    HB3  ASN  12           HB1      ASN  12  -5.203   0.210  -1.571
   94   HD21  ASN  12          HD21      ASN  12  -6.633  -2.981  -1.150
   95   HD22  ASN  12          HD22      ASN  12  -5.844  -3.701  -2.514
  Start of MODEL    4
    1    H1   ARG   1           HT1      ARG   1   2.559  -1.399  -6.371
    2    H2   ARG   1           HT2      ARG   1   0.943  -1.295  -6.849
    3    H3   ARG   1           HT3      ARG   1   1.740  -2.785  -6.891
    4    HA   ARG   1           HA       ARG   1   1.142  -1.215  -4.452
    5    HB2  ARG   1           HB2      ARG   1  -0.119  -3.694  -5.621
    6    HB3  ARG   1           HB1      ARG   1  -0.362  -3.189  -3.957
    7    HG2  ARG   1           HG2      ARG   1  -1.344  -1.094  -4.744
    8    HG3  ARG   1           HG1      ARG   1  -1.074  -1.608  -6.409
    9    HD2  ARG   1           HD2      ARG   1  -3.374  -2.006  -5.793
   10    HD3  ARG   1           HD1      ARG   1  -2.543  -3.540  -6.033
   11    HE   ARG   1           HE       ARG   1  -3.186  -2.380  -3.393
   12   HH11  ARG   1          HH11      ARG   1  -2.649  -5.144  -5.483
   13   HH12  ARG   1          HH12      ARG   1  -3.081  -6.305  -4.274
   14   HH21  ARG   1          HH21      ARG   1  -3.765  -3.909  -1.803
   15   HH22  ARG   1          HH22      ARG   1  -3.708  -5.605  -2.174
   16    H    LEU   2           HN       LEU   2   2.921  -1.413  -3.304
   17    HA   LEU   2           HA       LEU   2   3.752  -3.875  -2.212
   18    HB2  LEU   2           HB2      LEU   2   4.799  -4.118  -4.429
   19    HB3  LEU   2           HB1      LEU   2   5.607  -2.580  -4.214
   20    HG   LEU   2           HG       LEU   2   6.919  -3.514  -2.364
   21   HD11  LEU   2          HD11      LEU   2   6.864  -5.924  -1.921
   22   HD12  LEU   2          HD12      LEU   2   5.494  -6.088  -3.019
   23   HD13  LEU   2          HD13      LEU   2   5.328  -5.150  -1.534
   24   HD21  LEU   2          HD21      LEU   2   7.819  -3.621  -4.620
   25   HD22  LEU   2          HD22      LEU   2   7.005  -5.163  -4.888
   26   HD23  LEU   2          HD23      LEU   2   8.298  -5.045  -3.695
   27    H    VAL   3           HN       VAL   3   4.283  -3.304  -0.211
   28    HA   VAL   3           HA       VAL   3   5.190  -2.215   1.557
   29    HB   VAL   3           HB       VAL   3   6.586  -0.560  -0.555
   30   HG11  VAL   3          HG11      VAL   3   7.107  -0.589   2.416
   31   HG12  VAL   3          HG12      VAL   3   6.335   0.725   1.530
   32   HG13  VAL   3          HG13      VAL   3   8.016   0.307   1.199
   33   HG21  VAL   3          HG21      VAL   3   7.247  -2.913  -0.464
   34   HG22  VAL   3          HG22      VAL   3   7.600  -2.748   1.256
   35   HG23  VAL   3          HG23      VAL   3   8.552  -1.855   0.070
   36    HA   PRO   4           HA       PRO   4   1.978   0.800   2.123
   37    HB2  PRO   4           HB2      PRO   4   2.723   1.687   4.600
   38    HB3  PRO   4           HB1      PRO   4   1.866   0.167   4.320
   39    HG2  PRO   4           HG2      PRO   4   4.793   0.643   4.741
   40    HG3  PRO   4           HG1      PRO   4   3.756  -0.622   5.425
   41    HD2  PRO   4           HD2      PRO   4   5.384  -1.110   3.349
   42    HD3  PRO   4           HD1      PRO   4   3.789  -1.878   3.479
   43    H    SER   5           HN       SER   5   2.802   2.177   0.433
   44    HA   SER   5           HA       SER   5   3.790   4.690   1.507
   45    HB2  SER   5           HB2      SER   5   5.789   3.382   0.705
   46    HB3  SER   5           HB1      SER   5   5.082   3.394  -0.909
   47    HG   SER   5           HG       SER   5   5.767   5.358  -1.162
   48    H    GLY   6           HN       GLY   6   2.486   6.230   0.781
   49    HA2  GLY   6           HA2      GLY   6   1.412   7.507  -0.880
   50    HA3  GLY   6           HA1      GLY   6   1.484   6.122  -1.962
   51    HA   PRO   7           HA       PRO   7  -2.699   6.184   0.044
   52    HB2  PRO   7           HB2      PRO   7  -4.198   7.484  -1.790
   53    HB3  PRO   7           HB1      PRO   7  -3.321   8.330  -0.514
   54    HG2  PRO   7           HG2      PRO   7  -2.732   8.154  -3.402
   55    HG3  PRO   7           HG1      PRO   7  -2.280   9.405  -2.237
   56    HD2  PRO   7           HD2      PRO   7  -0.658   7.278  -3.225
   57    HD3  PRO   7           HD1      PRO   7  -0.241   8.466  -1.976
   58    H    ASN   8           HN       ASN   8  -4.136   4.634  -0.279
   59    HA   ASN   8           HA       ASN   8  -4.659   2.527  -0.903
   60    HB2  ASN   8           HB2      ASN   8  -4.927   3.879  -3.592
   61    HB3  ASN   8           HB1      ASN   8  -5.537   2.270  -3.202
   62   HD21  ASN   8          HD21      ASN   8  -6.967   4.683  -4.034
   63   HD22  ASN   8          HD22      ASN   8  -8.129   4.992  -2.790
   64    HA   PRO   9           HA       PRO   9  -0.502   1.527  -2.751
   65    HB2  PRO   9           HB2      PRO   9   0.770   0.729  -0.514
   66    HB3  PRO   9           HB1      PRO   9   0.723   2.428  -0.998
   67    HG2  PRO   9           HG2      PRO   9  -0.878   0.996   1.076
   68    HG3  PRO   9           HG1      PRO   9  -0.174   2.621   1.125
   69    HD2  PRO   9           HD2      PRO   9  -2.817   2.078   0.569
   70    HD3  PRO   9           HD1      PRO   9  -1.971   3.564   0.071
   71    H    LEU  10           HN       LEU  10   0.699  -0.766  -1.518
   72    HA   LEU  10           HA       LEU  10  -0.957  -2.909  -2.181
   73    HB2  LEU  10           HB2      LEU  10   1.560  -2.952  -1.737
   74    HB3  LEU  10           HB1      LEU  10   1.162  -2.999  -0.028
   75    HG   LEU  10           HG       LEU  10   0.092  -5.094  -1.909
   76   HD11  LEU  10          HD11      LEU  10   2.427  -5.218  -2.286
   77   HD12  LEU  10          HD12      LEU  10   2.030  -6.498  -1.141
   78   HD13  LEU  10          HD13      LEU  10   2.786  -5.010  -0.574
   79   HD21  LEU  10          HD21      LEU  10   0.705  -5.108   1.046
   80   HD22  LEU  10          HD22      LEU  10   0.034  -6.449   0.119
   81   HD23  LEU  10          HD23      LEU  10  -0.896  -4.965   0.320
   82    H    HIS  11           HN       HIS  11  -0.517  -1.195   0.857
   83    HA   HIS  11           HA       HIS  11  -2.651  -2.729   2.123
   84    HB2  HIS  11           HB2      HIS  11  -0.766  -0.604   3.145
   85    HB3  HIS  11           HB1      HIS  11  -2.119  -1.202   4.093
   86    HD1  HIS  11           HD1      HIS  11   0.306  -1.666   5.520
   87    HD2  HIS  11           HD2      HIS  11  -0.829  -4.264   2.480
   88    HE1  HIS  11           HE1      HIS  11   1.531  -3.813   5.970
   89    HE2  HIS  11           HE2      HIS  11   0.727  -5.411   4.201
   90    H    ASN  12           HN       ASN  12  -3.925  -1.652   0.194
   91    HA   ASN  12           HA       ASN  12  -4.770   1.049   0.634
   92    HB2  ASN  12           HB2      ASN  12  -6.549   0.453  -1.087
   93    HB3  ASN  12           HB1      ASN  12  -4.880   0.344  -1.632
   94   HD21  ASN  12          HD21      ASN  12  -7.801  -1.349  -0.996
   95   HD22  ASN  12          HD22      ASN  12  -7.284  -2.899  -1.560
  Start of MODEL    5
    1    H1   ARG   1           HT1      ARG   1  -1.635  -4.936   3.655
    2    H2   ARG   1           HT2      ARG   1  -2.895  -3.846   3.932
    3    H3   ARG   1           HT3      ARG   1  -1.894  -4.322   5.205
    4    HA   ARG   1           HA       ARG   1  -1.035  -2.788   2.831
    5    HB2  ARG   1           HB2      ARG   1  -0.686  -0.948   4.521
    6    HB3  ARG   1           HB1      ARG   1  -2.365  -1.334   4.175
    7    HG2  ARG   1           HG2      ARG   1  -2.502  -2.602   6.246
    8    HG3  ARG   1           HG1      ARG   1  -0.799  -2.266   6.562
    9    HD2  ARG   1           HD2      ARG   1  -1.272   0.118   6.674
   10    HD3  ARG   1           HD1      ARG   1  -2.971  -0.191   6.315
   11    HE   ARG   1           HE       ARG   1  -2.734  -1.635   8.491
   12   HH11  ARG   1          HH11      ARG   1  -1.343   1.519   7.856
   13   HH12  ARG   1          HH12      ARG   1  -1.404   2.022   9.516
   14   HH21  ARG   1          HH21      ARG   1  -2.824  -0.967  10.673
   15   HH22  ARG   1          HH22      ARG   1  -2.249   0.608  11.115
   16    H    LEU   2           HN       LEU   2   0.891  -3.643   2.366
   17    HA   LEU   2           HA       LEU   2   2.669  -4.419   4.552
   18    HB2  LEU   2           HB2      LEU   2   2.253  -6.039   2.751
   19    HB3  LEU   2           HB1      LEU   2   2.892  -4.901   1.582
   20    HG   LEU   2           HG       LEU   2   5.096  -5.027   2.756
   21   HD11  LEU   2          HD11      LEU   2   5.477  -6.917   4.270
   22   HD12  LEU   2          HD12      LEU   2   3.751  -7.278   4.243
   23   HD13  LEU   2          HD13      LEU   2   4.324  -5.762   4.937
   24   HD21  LEU   2          HD21      LEU   2   3.982  -7.630   1.718
   25   HD22  LEU   2          HD22      LEU   2   5.689  -7.200   1.828
   26   HD23  LEU   2          HD23      LEU   2   4.626  -6.317   0.734
   27    H    VAL   3           HN       VAL   3   3.312  -3.021   1.347
   28    HA   VAL   3           HA       VAL   3   5.430  -1.408   2.523
   29    HB   VAL   3           HB       VAL   3   4.673  -1.802  -0.378
   30   HG11  VAL   3          HG11      VAL   3   6.859  -0.807  -0.875
   31   HG12  VAL   3          HG12      VAL   3   7.105  -0.498   0.844
   32   HG13  VAL   3          HG13      VAL   3   5.808   0.323  -0.023
   33   HG21  VAL   3          HG21      VAL   3   6.887  -3.033   1.261
   34   HG22  VAL   3          HG22      VAL   3   6.677  -3.225  -0.479
   35   HG23  VAL   3          HG23      VAL   3   5.465  -3.864   0.631
   36    HA   PRO   4           HA       PRO   4   2.655   2.141   2.484
   37    HB2  PRO   4           HB2      PRO   4   5.016   3.620   3.387
   38    HB3  PRO   4           HB1      PRO   4   3.479   3.361   4.216
   39    HG2  PRO   4           HG2      PRO   4   5.777   2.193   5.025
   40    HG3  PRO   4           HG1      PRO   4   4.195   1.419   5.216
   41    HD2  PRO   4           HD2      PRO   4   6.316   0.920   3.163
   42    HD3  PRO   4           HD1      PRO   4   5.279  -0.239   4.023
   43    H    SER   5           HN       SER   5   2.400   2.537   0.320
   44    HA   SER   5           HA       SER   5   4.469   4.178  -0.957
   45    HB2  SER   5           HB2      SER   5   4.599   1.803  -1.751
   46    HB3  SER   5           HB1      SER   5   2.950   1.958  -2.354
   47    HG   SER   5           HG       SER   5   5.034   3.715  -3.136
   48    H    GLY   6           HN       GLY   6   3.145   5.975  -0.424
   49    HA2  GLY   6           HA2      GLY   6   1.666   7.624  -1.025
   50    HA3  GLY   6           HA1      GLY   6   1.344   6.705  -2.484
   51    HA   PRO   7           HA       PRO   7  -2.600   6.619  -0.098
   52    HB2  PRO   7           HB2      PRO   7  -4.163   6.624  -2.336
   53    HB3  PRO   7           HB1      PRO   7  -3.592   8.097  -1.546
   54    HG2  PRO   7           HG2      PRO   7  -2.510   6.696  -3.957
   55    HG3  PRO   7           HG1      PRO   7  -2.729   8.435  -3.675
   56    HD2  PRO   7           HD2      PRO   7  -0.324   7.226  -3.447
   57    HD3  PRO   7           HD1      PRO   7  -0.792   8.602  -2.430
   58    H    ASN   8           HN       ASN   8  -3.704   4.810   0.398
   59    HA   ASN   8           HA       ASN   8  -4.146   2.583   0.566
   60    HB2  ASN   8           HB2      ASN   8  -4.152   2.789  -2.457
   61    HB3  ASN   8           HB1      ASN   8  -4.719   1.389  -1.557
   62   HD21  ASN   8          HD21      ASN   8  -6.779   1.546  -2.377
   63   HD22  ASN   8          HD22      ASN   8  -7.884   2.786  -1.891
   64    HA   PRO   9           HA       PRO   9   0.611   2.452   0.435
   65    HB2  PRO   9           HB2      PRO   9  -0.394   0.122   2.030
   66    HB3  PRO   9           HB1      PRO   9   1.005   1.156   2.324
   67    HG2  PRO   9           HG2      PRO   9  -1.532   1.507   3.430
   68    HG3  PRO   9           HG1      PRO   9  -0.249   2.728   3.367
   69    HD2  PRO   9           HD2      PRO   9  -2.737   2.875   2.056
   70    HD3  PRO   9           HD1      PRO   9  -1.313   3.888   1.734
   71    H    LEU  10           HN       LEU  10  -0.749  -0.798   0.664
   72    HA   LEU  10           HA       LEU  10   0.059  -1.362  -2.086
   73    HB2  LEU  10           HB2      LEU  10   1.931  -1.956  -0.503
   74    HB3  LEU  10           HB1      LEU  10   0.854  -3.122   0.238
   75    HG   LEU  10           HG       LEU  10   0.694  -4.305  -1.944
   76   HD11  LEU  10          HD11      LEU  10   2.810  -2.326  -2.768
   77   HD12  LEU  10          HD12      LEU  10   1.188  -2.479  -3.444
   78   HD13  LEU  10          HD13      LEU  10   2.366  -3.772  -3.673
   79   HD21  LEU  10          HD21      LEU  10   3.453  -3.935  -0.789
   80   HD22  LEU  10          HD22      LEU  10   2.983  -5.239  -1.879
   81   HD23  LEU  10          HD23      LEU  10   2.239  -5.112  -0.286
   82    H    HIS  11           HN       HIS  11  -2.289  -1.208  -0.022
   83    HA   HIS  11           HA       HIS  11  -4.076  -2.956  -1.270
   84    HB2  HIS  11           HB2      HIS  11  -2.706  -4.651   0.016
   85    HB3  HIS  11           HB1      HIS  11  -3.260  -3.882   1.496
   86    HD1  HIS  11           HD1      HIS  11  -4.326  -6.184  -1.214
   87    HD2  HIS  11           HD2      HIS  11  -5.989  -4.355   2.129
   88    HE1  HIS  11           HE1      HIS  11  -6.515  -7.353  -0.821
   89    HE2  HIS  11           HE2      HIS  11  -7.433  -6.329   1.285
   90    H    ASN  12           HN       ASN  12  -6.153  -2.438  -0.668
   91    HA   ASN  12           HA       ASN  12  -6.904  -1.438   1.849
   92    HB2  ASN  12           HB2      ASN  12  -5.719   0.591   1.109
   93    HB3  ASN  12           HB1      ASN  12  -6.721   0.650  -0.337
   94   HD21  ASN  12          HD21      ASN  12  -6.741   0.909   3.162
   95   HD22  ASN  12          HD22      ASN  12  -8.185   1.851   3.270
  Start of MODEL    6
    1    H1   ARG   1           HT1      ARG   1  -0.714  -3.402   6.046
    2    H2   ARG   1           HT2      ARG   1  -0.548  -4.260   4.601
    3    H3   ARG   1           HT3      ARG   1  -1.821  -3.166   4.791
    4    HA   ARG   1           HA       ARG   1  -0.105  -2.228   3.396
    5    HB2  ARG   1           HB2      ARG   1  -0.421  -1.013   6.142
    6    HB3  ARG   1           HB1      ARG   1   0.401  -0.192   4.825
    7    HG2  ARG   1           HG2      ARG   1  -1.607  -0.165   3.518
    8    HG3  ARG   1           HG1      ARG   1  -2.458  -1.117   4.736
    9    HD2  ARG   1           HD2      ARG   1  -1.260   1.607   5.230
   10    HD3  ARG   1           HD1      ARG   1  -2.950   1.327   4.821
   11    HE   ARG   1           HE       ARG   1  -2.703  -0.228   6.954
   12   HH11  ARG   1          HH11      ARG   1  -1.562   3.047   6.442
   13   HH12  ARG   1          HH12      ARG   1  -1.737   3.495   8.107
   14   HH21  ARG   1          HH21      ARG   1  -2.926   0.363   9.136
   15   HH22  ARG   1          HH22      ARG   1  -2.506   1.970   9.643
   16    H    LEU   2           HN       LEU   2   1.723  -3.403   2.985
   17    HA   LEU   2           HA       LEU   2   3.723  -3.748   5.056
   18    HB2  LEU   2           HB2      LEU   2   3.222  -5.616   3.565
   19    HB3  LEU   2           HB1      LEU   2   3.662  -4.648   2.176
   20    HG   LEU   2           HG       LEU   2   5.994  -4.526   3.069
   21   HD11  LEU   2          HD11      LEU   2   6.659  -6.124   4.786
   22   HD12  LEU   2          HD12      LEU   2   4.973  -6.589   5.014
   23   HD13  LEU   2          HD13      LEU   2   5.500  -4.954   5.413
   24   HD21  LEU   2          HD21      LEU   2   6.582  -6.807   2.416
   25   HD22  LEU   2          HD22      LEU   2   5.380  -6.112   1.328
   26   HD23  LEU   2          HD23      LEU   2   4.890  -7.284   2.552
   27    H    VAL   3           HN       VAL   3   3.867  -2.588   1.673
   28    HA   VAL   3           HA       VAL   3   6.082  -0.858   2.489
   29    HB   VAL   3           HB       VAL   3   6.579  -0.559   0.107
   30   HG11  VAL   3          HG11      VAL   3   6.299  -3.447   0.920
   31   HG12  VAL   3          HG12      VAL   3   7.647  -2.375   1.300
   32   HG13  VAL   3          HG13      VAL   3   7.335  -2.840  -0.372
   33   HG21  VAL   3          HG21      VAL   3   4.343  -0.765  -0.830
   34   HG22  VAL   3          HG22      VAL   3   4.296  -2.469  -0.380
   35   HG23  VAL   3          HG23      VAL   3   5.444  -1.912  -1.598
   36    HA   PRO   4           HA       PRO   4   3.172   2.467   2.399
   37    HB2  PRO   4           HB2      PRO   4   4.869   4.427   3.158
   38    HB3  PRO   4           HB1      PRO   4   4.268   3.209   4.284
   39    HG2  PRO   4           HG2      PRO   4   6.913   3.397   2.925
   40    HG3  PRO   4           HG1      PRO   4   6.530   2.855   4.567
   41    HD2  PRO   4           HD2      PRO   4   7.037   1.181   2.430
   42    HD3  PRO   4           HD1      PRO   4   6.134   0.719   3.885
   43    H    SER   5           HN       SER   5   2.812   2.480   0.133
   44    HA   SER   5           HA       SER   5   4.542   4.328  -1.371
   45    HB2  SER   5           HB2      SER   5   2.826   2.091  -2.479
   46    HB3  SER   5           HB1      SER   5   3.936   3.114  -3.391
   47    HG   SER   5           HG       SER   5   4.756   0.990  -2.748
   48    H    GLY   6           HN       GLY   6   3.233   6.060  -0.472
   49    HA2  GLY   6           HA2      GLY   6   1.619   7.682  -0.730
   50    HA3  GLY   6           HA1      GLY   6   1.156   6.878  -2.223
   51    HA   PRO   7           HA       PRO   7  -2.374   6.146   0.658
   52    HB2  PRO   7           HB2      PRO   7  -4.313   6.747  -1.134
   53    HB3  PRO   7           HB1      PRO   7  -3.523   7.983  -0.148
   54    HG2  PRO   7           HG2      PRO   7  -3.016   7.221  -2.997
   55    HG3  PRO   7           HG1      PRO   7  -3.090   8.835  -2.266
   56    HD2  PRO   7           HD2      PRO   7  -0.749   7.555  -2.828
   57    HD3  PRO   7           HD1      PRO   7  -0.925   8.726  -1.509
   58    H    ASN   8           HN       ASN   8  -3.718   4.360   0.661
   59    HA   ASN   8           HA       ASN   8  -3.989   2.118   0.375
   60    HB2  ASN   8           HB2      ASN   8  -4.268   3.080  -2.475
   61    HB3  ASN   8           HB1      ASN   8  -4.585   1.417  -1.993
   62   HD21  ASN   8          HD21      ASN   8  -6.372   3.439  -3.120
   63   HD22  ASN   8          HD22      ASN   8  -7.672   3.602  -1.992
   64    HA   PRO   9           HA       PRO   9   0.689   1.980  -0.761
   65    HB2  PRO   9           HB2      PRO   9   0.352   0.372   1.745
   66    HB3  PRO   9           HB1      PRO   9   1.717   1.369   1.229
   67    HG2  PRO   9           HG2      PRO   9   0.006   2.303   3.014
   68    HG3  PRO   9           HG1      PRO   9   0.616   3.359   1.726
   69    HD2  PRO   9           HD2      PRO   9  -2.058   2.093   2.026
   70    HD3  PRO   9           HD1      PRO   9  -1.620   3.648   1.280
   71    H    LEU  10           HN       LEU  10  -0.863  -0.768   0.897
   72    HA   LEU  10           HA       LEU  10  -0.661  -2.337  -1.559
   73    HB2  LEU  10           HB2      LEU  10   0.763  -2.845   0.980
   74    HB3  LEU  10           HB1      LEU  10   0.031  -4.239   0.206
   75    HG   LEU  10           HG       LEU  10   2.087  -2.398  -1.017
   76   HD11  LEU  10          HD11      LEU  10   2.226  -5.256  -0.075
   77   HD12  LEU  10          HD12      LEU  10   3.041  -3.865   0.636
   78   HD13  LEU  10          HD13      LEU  10   3.494  -4.423  -0.972
   79   HD21  LEU  10          HD21      LEU  10   2.093  -4.055  -2.861
   80   HD22  LEU  10          HD22      LEU  10   0.590  -3.149  -2.740
   81   HD23  LEU  10          HD23      LEU  10   0.668  -4.806  -2.145
   82    H    HIS  11           HN       HIS  11  -2.764  -1.084   0.070
   83    HA   HIS  11           HA       HIS  11  -4.489  -3.446   0.203
   84    HB2  HIS  11           HB2      HIS  11  -3.819  -2.745   2.528
   85    HB3  HIS  11           HB1      HIS  11  -4.597  -1.201   2.229
   86    HD1  HIS  11           HD1      HIS  11  -5.401  -4.848   2.726
   87    HD2  HIS  11           HD2      HIS  11  -7.342  -1.179   2.542
   88    HE1  HIS  11           HE1      HIS  11  -7.746  -5.284   3.509
   89    HE2  HIS  11           HE2      HIS  11  -8.833  -3.016   3.582
   90    H    ASN  12           HN       ASN  12  -4.558  -2.308  -2.019
   91    HA   ASN  12           HA       ASN  12  -6.272   0.022  -2.128
   92    HB2  ASN  12           HB2      ASN  12  -4.457  -0.302  -3.782
   93    HB3  ASN  12           HB1      ASN  12  -5.258  -1.761  -4.358
   94   HD21  ASN  12          HD21      ASN  12  -5.219   1.675  -4.374
   95   HD22  ASN  12          HD22      ASN  12  -6.466   1.906  -5.549
  Start of MODEL    7
    1    H1   ARG   1           HT1      ARG   1   1.379  -1.052  -5.422
    2    H2   ARG   1           HT2      ARG   1   1.301   0.020  -4.117
    3    H3   ARG   1           HT3      ARG   1  -0.111  -0.431  -4.924
    4    HA   ARG   1           HA       ARG   1   0.125  -1.554  -2.793
    5    HB2  ARG   1           HB2      ARG   1  -0.329  -3.810  -3.606
    6    HB3  ARG   1           HB1      ARG   1  -1.112  -2.629  -4.645
    7    HG2  ARG   1           HG2      ARG   1   0.547  -2.902  -6.328
    8    HG3  ARG   1           HG1      ARG   1   1.530  -3.916  -5.273
    9    HD2  ARG   1           HD2      ARG   1  -0.262  -5.597  -5.252
   10    HD3  ARG   1           HD1      ARG   1  -1.216  -4.581  -6.333
   11    HE   ARG   1           HE       ARG   1   1.218  -4.965  -7.580
   12   HH11  ARG   1          HH11      ARG   1  -1.414  -6.992  -6.468
   13   HH12  ARG   1          HH12      ARG   1  -1.162  -8.197  -7.689
   14   HH21  ARG   1          HH21      ARG   1   1.550  -6.550  -9.174
   15   HH22  ARG   1          HH22      ARG   1   0.524  -7.951  -9.225
   16    H    LEU   2           HN       LEU   2   2.962  -0.963  -4.167
   17    HA   LEU   2           HA       LEU   2   4.352  -3.317  -3.117
   18    HB2  LEU   2           HB2      LEU   2   5.245  -1.123  -4.976
   19    HB3  LEU   2           HB1      LEU   2   6.262  -2.455  -4.450
   20    HG   LEU   2           HG       LEU   2   3.748  -2.701  -6.110
   21   HD11  LEU   2          HD11      LEU   2   5.604  -1.694  -7.335
   22   HD12  LEU   2          HD12      LEU   2   5.252  -3.319  -7.920
   23   HD13  LEU   2          HD13      LEU   2   6.643  -3.041  -6.873
   24   HD21  LEU   2          HD21      LEU   2   4.061  -4.649  -4.697
   25   HD22  LEU   2          HD22      LEU   2   5.738  -4.786  -5.223
   26   HD23  LEU   2          HD23      LEU   2   4.430  -5.049  -6.374
   27    H    VAL   3           HN       VAL   3   4.557  -2.901  -0.976
   28    HA   VAL   3           HA       VAL   3   5.374  -2.017   0.941
   29    HB   VAL   3           HB       VAL   3   6.920  -0.166  -0.883
   30   HG11  VAL   3          HG11      VAL   3   6.660   0.851   1.312
   31   HG12  VAL   3          HG12      VAL   3   8.323   0.317   1.069
   32   HG13  VAL   3          HG13      VAL   3   7.232  -0.630   2.080
   33   HG21  VAL   3          HG21      VAL   3   7.777  -2.644   0.607
   34   HG22  VAL   3          HG22      VAL   3   8.821  -1.613  -0.372
   35   HG23  VAL   3          HG23      VAL   3   7.514  -2.520  -1.134
   36    HA   PRO   4           HA       PRO   4   2.126   0.946   1.549
   37    HB2  PRO   4           HB2      PRO   4   3.392   1.308   4.207
   38    HB3  PRO   4           HB1      PRO   4   1.731   0.866   3.803
   39    HG2  PRO   4           HG2      PRO   4   3.439  -0.945   4.760
   40    HG3  PRO   4           HG1      PRO   4   2.255  -1.368   3.509
   41    HD2  PRO   4           HD2      PRO   4   5.186  -0.831   3.242
   42    HD3  PRO   4           HD1      PRO   4   4.180  -2.046   2.424
   43    H    SER   5           HN       SER   5   2.881   2.537   0.138
   44    HA   SER   5           HA       SER   5   3.768   4.929   1.485
   45    HB2  SER   5           HB2      SER   5   5.297   3.803  -0.881
   46    HB3  SER   5           HB1      SER   5   5.543   5.403  -0.184
   47    HG   SER   5           HG       SER   5   5.639   3.394   1.671
   48    H    GLY   6           HN       GLY   6   2.911   6.746   0.521
   49    HA2  GLY   6           HA2      GLY   6   1.611   7.973  -0.953
   50    HA3  GLY   6           HA1      GLY   6   1.709   6.641  -2.097
   51    HA   PRO   7           HA       PRO   7  -2.482   6.503  -0.110
   52    HB2  PRO   7           HB2      PRO   7  -4.028   7.340  -2.139
   53    HB3  PRO   7           HB1      PRO   7  -3.222   8.486  -1.062
   54    HG2  PRO   7           HG2      PRO   7  -2.501   7.656  -3.833
   55    HG3  PRO   7           HG1      PRO   7  -2.355   9.243  -3.059
   56    HD2  PRO   7           HD2      PRO   7  -0.285   7.404  -3.399
   57    HD3  PRO   7           HD1      PRO   7  -0.277   8.773  -2.273
   58    H    ASN   8           HN       ASN   8  -3.944   4.926  -0.325
   59    HA   ASN   8           HA       ASN   8  -4.506   2.761  -0.680
   60    HB2  ASN   8           HB2      ASN   8  -4.316   3.553  -3.590
   61    HB3  ASN   8           HB1      ASN   8  -5.232   2.204  -2.917
   62   HD21  ASN   8          HD21      ASN   8  -6.133   3.756  -0.606
   63   HD22  ASN   8          HD22      ASN   8  -7.359   4.817  -1.207
   64    HA   PRO   9           HA       PRO   9  -0.091   1.566  -1.825
   65    HB2  PRO   9           HB2      PRO   9   0.132   0.715   0.961
   66    HB3  PRO   9           HB1      PRO   9   1.180   1.781   0.028
   67    HG2  PRO   9           HG2      PRO   9  -0.416   2.663   2.030
   68    HG3  PRO   9           HG1      PRO   9   0.031   3.662   0.636
   69    HD2  PRO   9           HD2      PRO   9  -2.522   2.219   1.198
   70    HD3  PRO   9           HD1      PRO   9  -2.256   3.806   0.422
   71    H    LEU  10           HN       LEU  10   0.657  -0.640   0.000
   72    HA   LEU  10           HA       LEU  10  -0.114  -2.848  -1.429
   73    HB2  LEU  10           HB2      LEU  10   1.732  -2.607   0.298
   74    HB3  LEU  10           HB1      LEU  10   0.509  -2.883   1.522
   75    HG   LEU  10           HG       LEU  10   1.013  -4.894  -0.664
   76   HD11  LEU  10          HD11      LEU  10   2.508  -6.058   0.888
   77   HD12  LEU  10          HD12      LEU  10   2.394  -4.704   2.012
   78   HD13  LEU  10          HD13      LEU  10   3.146  -4.478   0.433
   79   HD21  LEU  10          HD21      LEU  10  -1.043  -5.142   0.652
   80   HD22  LEU  10          HD22      LEU  10  -0.089  -5.149   2.135
   81   HD23  LEU  10          HD23      LEU  10   0.091  -6.455   0.965
   82    H    HIS  11           HN       HIS  11  -1.620  -1.574   1.522
   83    HA   HIS  11           HA       HIS  11  -3.628  -3.672   1.446
   84    HB2  HIS  11           HB2      HIS  11  -2.531  -2.864   3.582
   85    HB3  HIS  11           HB1      HIS  11  -3.438  -1.370   3.392
   86    HD1  HIS  11           HD1      HIS  11  -3.818  -4.962   4.315
   87    HD2  HIS  11           HD2      HIS  11  -6.180  -1.559   3.974
   88    HE1  HIS  11           HE1      HIS  11  -5.990  -5.529   5.446
   89    HE2  HIS  11           HE2      HIS  11  -7.324  -3.395   5.387
   90    H    ASN  12           HN       ASN  12  -4.362  -2.828  -0.683
   91    HA   ASN  12           HA       ASN  12  -6.728  -1.222  -0.214
   92    HB2  ASN  12           HB2      ASN  12  -5.146   0.507  -0.943
   93    HB3  ASN  12           HB1      ASN  12  -4.713  -0.463  -2.345
   94   HD21  ASN  12          HD21      ASN  12  -7.352   1.258  -0.794
   95   HD22  ASN  12          HD22      ASN  12  -8.227   1.599  -2.244
  Start of MODEL    8
    1    H1   ARG   1           HT1      ARG   1  -0.082  -4.311   3.703
    2    H2   ARG   1           HT2      ARG   1  -1.363  -3.385   4.298
    3    H3   ARG   1           HT3      ARG   1  -0.124  -3.875   5.332
    4    HA   ARG   1           HA       ARG   1   0.223  -2.046   3.030
    5    HB2  ARG   1           HB2      ARG   1  -1.130  -1.093   4.903
    6    HB3  ARG   1           HB1      ARG   1   0.202  -1.427   5.994
    7    HG2  ARG   1           HG2      ARG   1   1.606   0.143   4.837
    8    HG3  ARG   1           HG1      ARG   1   0.350   0.425   3.628
    9    HD2  ARG   1           HD2      ARG   1  -1.127   1.293   5.382
   10    HD3  ARG   1           HD1      ARG   1   0.133   1.015   6.579
   11    HE   ARG   1           HE       ARG   1   0.879   2.746   4.382
   12   HH11  ARG   1          HH11      ARG   1  -0.445   2.545   7.609
   13   HH12  ARG   1          HH12      ARG   1  -0.005   4.170   8.033
   14   HH21  ARG   1          HH21      ARG   1   1.445   4.895   4.928
   15   HH22  ARG   1          HH22      ARG   1   1.066   5.505   6.506
   16    H    LEU   2           HN       LEU   2   1.979  -3.610   2.542
   17    HA   LEU   2           HA       LEU   2   4.167  -3.771   4.418
   18    HB2  LEU   2           HB2      LEU   2   3.595  -5.684   2.983
   19    HB3  LEU   2           HB1      LEU   2   3.958  -4.728   1.562
   20    HG   LEU   2           HG       LEU   2   6.321  -4.567   2.315
   21   HD11  LEU   2          HD11      LEU   2   5.974  -4.875   4.701
   22   HD12  LEU   2          HD12      LEU   2   7.098  -6.079   4.073
   23   HD13  LEU   2          HD13      LEU   2   5.429  -6.528   4.423
   24   HD21  LEU   2          HD21      LEU   2   5.640  -6.253   0.695
   25   HD22  LEU   2          HD22      LEU   2   5.235  -7.363   2.005
   26   HD23  LEU   2          HD23      LEU   2   6.910  -6.872   1.751
   27    H    VAL   3           HN       VAL   3   3.721  -2.448   1.138
   28    HA   VAL   3           HA       VAL   3   6.031  -0.719   1.645
   29    HB   VAL   3           HB       VAL   3   6.284  -2.036  -0.367
   30   HG11  VAL   3          HG11      VAL   3   3.962  -2.454  -0.922
   31   HG12  VAL   3          HG12      VAL   3   4.812  -1.764  -2.304
   32   HG13  VAL   3          HG13      VAL   3   3.735  -0.756  -1.337
   33   HG21  VAL   3          HG21      VAL   3   5.734   0.861  -0.981
   34   HG22  VAL   3          HG22      VAL   3   6.682  -0.237  -1.982
   35   HG23  VAL   3          HG23      VAL   3   7.242   0.187  -0.365
   36    HA   PRO   4           HA       PRO   4   2.799   2.365   2.199
   37    HB2  PRO   4           HB2      PRO   4   4.915   4.010   3.329
   38    HB3  PRO   4           HB1      PRO   4   3.499   3.325   4.126
   39    HG2  PRO   4           HG2      PRO   4   6.031   2.488   4.635
   40    HG3  PRO   4           HG1      PRO   4   4.613   1.432   4.773
   41    HD2  PRO   4           HD2      PRO   4   6.615   1.634   2.553
   42    HD3  PRO   4           HD1      PRO   4   5.871   0.192   3.278
   43    H    SER   5           HN       SER   5   2.864   2.599  -0.174
   44    HA   SER   5           HA       SER   5   4.637   4.698  -1.166
   45    HB2  SER   5           HB2      SER   5   3.576   4.059  -3.385
   46    HB3  SER   5           HB1      SER   5   4.500   2.782  -2.595
   47    HG   SER   5           HG       SER   5   1.688   3.093  -2.732
   48    H    GLY   6           HN       GLY   6   3.108   5.936   0.558
   49    HA2  GLY   6           HA2      GLY   6   1.595   7.681   0.762
   50    HA3  GLY   6           HA1      GLY   6   1.356   7.602  -0.977
   51    HA   PRO   7           HA       PRO   7  -2.542   5.766   0.410
   52    HB2  PRO   7           HB2      PRO   7  -4.036   6.568  -1.631
   53    HB3  PRO   7           HB1      PRO   7  -3.497   7.752  -0.427
   54    HG2  PRO   7           HG2      PRO   7  -2.301   7.119  -3.108
   55    HG3  PRO   7           HG1      PRO   7  -2.719   8.695  -2.434
   56    HD2  PRO   7           HD2      PRO   7  -0.195   7.676  -2.348
   57    HD3  PRO   7           HD1      PRO   7  -0.822   8.765  -1.093
   58    H    ASN   8           HN       ASN   8  -3.782   4.063  -0.477
   59    HA   ASN   8           HA       ASN   8  -3.805   1.932  -1.255
   60    HB2  ASN   8           HB2      ASN   8  -4.690   3.058  -3.190
   61    HB3  ASN   8           HB1      ASN   8  -3.071   3.455  -3.768
   62   HD21  ASN   8          HD21      ASN   8  -3.197   2.391  -5.694
   63   HD22  ASN   8          HD22      ASN   8  -3.351   0.675  -5.843
   64    HA   PRO   9           HA       PRO   9   0.912   1.498  -0.987
   65    HB2  PRO   9           HB2      PRO   9   0.082   0.055   1.471
   66    HB3  PRO   9           HB1      PRO   9   1.430   1.166   1.220
   67    HG2  PRO   9           HG2      PRO   9  -0.716   1.933   2.594
   68    HG3  PRO   9           HG1      PRO   9   0.102   3.050   1.484
   69    HD2  PRO   9           HD2      PRO   9  -2.422   1.496   1.082
   70    HD3  PRO   9           HD1      PRO   9  -2.048   3.178   0.630
   71    H    LEU  10           HN       LEU  10  -1.132  -0.934   0.587
   72    HA   LEU  10           HA       LEU  10  -1.114  -2.702  -1.690
   73    HB2  LEU  10           HB2      LEU  10   0.655  -3.110   0.662
   74    HB3  LEU  10           HB1      LEU  10  -0.137  -4.522  -0.011
   75    HG   LEU  10           HG       LEU  10   1.695  -2.660  -1.529
   76   HD11  LEU  10          HD11      LEU  10   3.251  -4.557  -1.500
   77   HD12  LEU  10          HD12      LEU  10   2.140  -5.440  -0.452
   78   HD13  LEU  10          HD13      LEU  10   2.904  -3.959   0.121
   79   HD21  LEU  10          HD21      LEU  10   0.372  -5.252  -2.327
   80   HD22  LEU  10          HD22      LEU  10   1.597  -4.402  -3.267
   81   HD23  LEU  10          HD23      LEU  10   0.029  -3.651  -2.983
   82    H    HIS  11           HN       HIS  11  -3.003  -1.370   0.145
   83    HA   HIS  11           HA       HIS  11  -4.393  -3.759   1.142
   84    HB2  HIS  11           HB2      HIS  11  -3.188  -2.574   2.986
   85    HB3  HIS  11           HB1      HIS  11  -4.182  -1.163   2.670
   86    HD1  HIS  11           HD1      HIS  11  -4.267  -4.550   4.221
   87    HD2  HIS  11           HD2      HIS  11  -6.831  -1.340   3.587
   88    HE1  HIS  11           HE1      HIS  11  -6.256  -4.973   5.694
   89    HE2  HIS  11           HE2      HIS  11  -7.702  -2.930   5.427
   90    H    ASN  12           HN       ASN  12  -4.601  -0.506  -0.125
   91    HA   ASN  12           HA       ASN  12  -7.346  -0.068   0.158
   92    HB2  ASN  12           HB2      ASN  12  -5.850   1.747  -0.428
   93    HB3  ASN  12           HB1      ASN  12  -5.437   0.972  -1.954
   94   HD21  ASN  12          HD21      ASN  12  -6.891   1.048  -3.652
   95   HD22  ASN  12          HD22      ASN  12  -8.251   2.119  -3.661
  Start of MODEL    9
    1    H1   ARG   1           HT1      ARG   1   0.541  -5.036   3.677
    2    H2   ARG   1           HT2      ARG   1  -0.845  -4.230   4.208
    3    H3   ARG   1           HT3      ARG   1   0.413  -4.545   5.291
    4    HA   ARG   1           HA       ARG   1   0.603  -2.774   2.924
    5    HB2  ARG   1           HB2      ARG   1   0.342  -2.127   5.872
    6    HB3  ARG   1           HB1      ARG   1   0.760  -0.951   4.635
    7    HG2  ARG   1           HG2      ARG   1  -1.360  -1.134   3.612
    8    HG3  ARG   1           HG1      ARG   1  -1.778  -2.553   4.570
    9    HD2  ARG   1           HD2      ARG   1  -2.921  -0.600   5.431
   10    HD3  ARG   1           HD1      ARG   1  -1.737  -1.170   6.601
   11    HE   ARG   1           HE       ARG   1  -0.316   0.693   5.377
   12   HH11  ARG   1          HH11      ARG   1  -3.644   0.790   6.466
   13   HH12  ARG   1          HH12      ARG   1  -3.633   2.499   6.763
   14   HH21  ARG   1          HH21      ARG   1  -0.297   2.952   5.766
   15   HH22  ARG   1          HH22      ARG   1  -1.733   3.726   6.365
   16    H    LEU   2           HN       LEU   2   2.488  -4.305   2.605
   17    HA   LEU   2           HA       LEU   2   4.673  -4.090   4.475
   18    HB2  LEU   2           HB2      LEU   2   4.290  -5.501   1.860
   19    HB3  LEU   2           HB1      LEU   2   5.896  -5.323   2.533
   20    HG   LEU   2           HG       LEU   2   5.030  -7.504   3.083
   21   HD11  LEU   2          HD11      LEU   2   4.991  -5.736   5.521
   22   HD12  LEU   2          HD12      LEU   2   6.433  -6.393   4.749
   23   HD13  LEU   2          HD13      LEU   2   5.260  -7.479   5.496
   24   HD21  LEU   2          HD21      LEU   2   2.661  -7.112   2.929
   25   HD22  LEU   2          HD22      LEU   2   2.708  -6.046   4.332
   26   HD23  LEU   2          HD23      LEU   2   3.039  -7.767   4.522
   27    H    VAL   3           HN       VAL   3   3.775  -2.742   1.363
   28    HA   VAL   3           HA       VAL   3   6.157  -1.018   1.512
   29    HB   VAL   3           HB       VAL   3   4.413  -1.586  -0.896
   30   HG11  VAL   3          HG11      VAL   3   6.956   0.019  -0.660
   31   HG12  VAL   3          HG12      VAL   3   5.342   0.662  -0.963
   32   HG13  VAL   3          HG13      VAL   3   6.121  -0.367  -2.165
   33   HG21  VAL   3          HG21      VAL   3   7.213  -2.505  -0.247
   34   HG22  VAL   3          HG22      VAL   3   6.374  -2.772  -1.775
   35   HG23  VAL   3          HG23      VAL   3   5.768  -3.515  -0.295
   36    HA   PRO   4           HA       PRO   4   2.784   1.778   2.707
   37    HB2  PRO   4           HB2      PRO   4   4.813   3.288   4.117
   38    HB3  PRO   4           HB1      PRO   4   3.454   2.381   4.781
   39    HG2  PRO   4           HG2      PRO   4   6.059   1.637   5.103
   40    HG3  PRO   4           HG1      PRO   4   4.706   0.493   5.102
   41    HD2  PRO   4           HD2      PRO   4   6.624   1.162   2.899
   42    HD3  PRO   4           HD1      PRO   4   5.972  -0.418   3.391
   43    H    SER   5           HN       SER   5   3.049   2.296   0.298
   44    HA   SER   5           HA       SER   5   4.283   4.947   0.032
   45    HB2  SER   5           HB2      SER   5   4.491   2.687  -1.971
   46    HB3  SER   5           HB1      SER   5   5.050   4.338  -2.241
   47    HG   SER   5           HG       SER   5   6.710   2.862  -1.536
   48    H    GLY   6           HN       GLY   6   3.082   6.423  -0.990
   49    HA2  GLY   6           HA2      GLY   6   1.405   7.364  -2.247
   50    HA3  GLY   6           HA1      GLY   6   1.123   5.783  -2.956
   51    HA   PRO   7           HA       PRO   7  -2.486   6.693  -0.185
   52    HB2  PRO   7           HB2      PRO   7  -4.408   6.502  -2.073
   53    HB3  PRO   7           HB1      PRO   7  -3.560   8.016  -1.740
   54    HG2  PRO   7           HG2      PRO   7  -3.122   6.042  -3.945
   55    HG3  PRO   7           HG1      PRO   7  -3.107   7.813  -4.008
   56    HD2  PRO   7           HD2      PRO   7  -0.845   6.282  -3.911
   57    HD3  PRO   7           HD1      PRO   7  -0.937   7.942  -3.293
   58    H    ASN   8           HN       ASN   8  -3.194   4.992   0.882
   59    HA   ASN   8           HA       ASN   8  -3.703   2.866   1.478
   60    HB2  ASN   8           HB2      ASN   8  -4.799   2.780  -1.341
   61    HB3  ASN   8           HB1      ASN   8  -5.123   1.571  -0.106
   62   HD21  ASN   8          HD21      ASN   8  -7.340   1.976  -0.206
   63   HD22  ASN   8          HD22      ASN   8  -8.042   3.406   0.477
   64    HA   PRO   9           HA       PRO   9   0.689   2.206  -0.259
   65    HB2  PRO   9           HB2      PRO   9   0.082   0.179   1.867
   66    HB3  PRO   9           HB1      PRO   9   1.588   1.035   1.535
   67    HG2  PRO   9           HG2      PRO   9  -0.368   1.840   3.359
   68    HG3  PRO   9           HG1      PRO   9   0.922   2.864   2.706
   69    HD2  PRO   9           HD2      PRO   9  -1.833   3.219   2.284
   70    HD3  PRO   9           HD1      PRO   9  -0.524   3.975   1.348
   71    H    LEU  10           HN       LEU  10  -0.490  -0.910   0.837
   72    HA   LEU  10           HA       LEU  10  -0.615  -1.807  -1.957
   73    HB2  LEU  10           HB2      LEU  10   0.739  -3.126   0.388
   74    HB3  LEU  10           HB1      LEU  10   0.254  -4.040  -1.030
   75    HG   LEU  10           HG       LEU  10   2.266  -1.796  -0.917
   76   HD11  LEU  10          HD11      LEU  10   3.079  -3.920  -0.073
   77   HD12  LEU  10          HD12      LEU  10   3.822  -3.549  -1.629
   78   HD13  LEU  10          HD13      LEU  10   2.521  -4.734  -1.533
   79   HD21  LEU  10          HD21      LEU  10   2.639  -2.283  -3.311
   80   HD22  LEU  10          HD22      LEU  10   1.043  -1.607  -2.993
   81   HD23  LEU  10          HD23      LEU  10   1.224  -3.334  -3.293
   82    H    HIS  11           HN       HIS  11  -2.514  -1.073   0.368
   83    HA   HIS  11           HA       HIS  11  -3.966  -3.523   0.824
   84    HB2  HIS  11           HB2      HIS  11  -3.886  -1.704   2.520
   85    HB3  HIS  11           HB1      HIS  11  -4.778  -0.665   1.416
   86    HD1  HIS  11           HD1      HIS  11  -5.203  -3.673   3.631
   87    HD2  HIS  11           HD2      HIS  11  -7.524  -1.095   1.341
   88    HE1  HIS  11           HE1      HIS  11  -7.584  -4.156   4.272
   89    HE2  HIS  11           HE2      HIS  11  -8.954  -2.478   2.992
   90    H    ASN  12           HN       ASN  12  -4.263  -0.659  -1.188
   91    HA   ASN  12           HA       ASN  12  -6.392  -2.034  -2.687
   92    HB2  ASN  12           HB2      ASN  12  -6.036   0.922  -2.177
   93    HB3  ASN  12           HB1      ASN  12  -7.124   0.279  -3.403
   94   HD21  ASN  12          HD21      ASN  12  -9.003  -0.753  -2.773
   95   HD22  ASN  12          HD22      ASN  12  -9.610  -0.670  -1.158
  Start of MODEL   10
    1    H1   ARG   1           HT1      ARG   1   1.720  -1.662  -5.550
    2    H2   ARG   1           HT2      ARG   1   3.213  -2.000  -4.829
    3    H3   ARG   1           HT3      ARG   1   2.220  -0.791  -4.191
    4    HA   ARG   1           HA       ARG   1   0.560  -2.388  -3.585
    5    HB2  ARG   1           HB2      ARG   1   0.936  -4.020  -5.339
    6    HB3  ARG   1           HB1      ARG   1   2.533  -4.382  -4.710
    7    HG2  ARG   1           HG2      ARG   1   1.063  -6.133  -4.075
    8    HG3  ARG   1           HG1      ARG   1   1.477  -5.214  -2.630
    9    HD2  ARG   1           HD2      ARG   1  -0.859  -5.684  -2.546
   10    HD3  ARG   1           HD1      ARG   1  -0.673  -3.970  -2.907
   11    HE   ARG   1           HE       ARG   1  -0.886  -5.234  -5.346
   12   HH11  ARG   1          HH11      ARG   1  -2.860  -4.879  -2.475
   13   HH12  ARG   1          HH12      ARG   1  -4.358  -5.046  -3.337
   14   HH21  ARG   1          HH21      ARG   1  -2.863  -5.458  -6.476
   15   HH22  ARG   1          HH22      ARG   1  -4.362  -5.373  -5.608
   16    H    LEU   2           HN       LEU   2   4.073  -3.046  -3.283
   17    HA   LEU   2           HA       LEU   2   3.673  -3.888  -0.557
   18    HB2  LEU   2           HB2      LEU   2   6.107  -3.637  -2.296
   19    HB3  LEU   2           HB1      LEU   2   6.219  -4.058  -0.598
   20    HG   LEU   2           HG       LEU   2   6.333  -6.094  -1.782
   21   HD11  LEU   2          HD11      LEU   2   4.390  -7.309  -1.042
   22   HD12  LEU   2          HD12      LEU   2   3.469  -5.816  -0.897
   23   HD13  LEU   2          HD13      LEU   2   4.839  -6.113   0.172
   24   HD21  LEU   2          HD21      LEU   2   4.680  -6.788  -3.453
   25   HD22  LEU   2          HD22      LEU   2   5.551  -5.335  -3.945
   26   HD23  LEU   2          HD23      LEU   2   3.905  -5.210  -3.328
   27    H    VAL   3           HN       VAL   3   2.733  -1.833   0.033
   28    HA   VAL   3           HA       VAL   3   2.685   0.317   0.758
   29    HB   VAL   3           HB       VAL   3   4.826  -1.003   2.384
   30   HG11  VAL   3          HG11      VAL   3   4.309   0.637   4.146
   31   HG12  VAL   3          HG12      VAL   3   3.222   1.474   3.039
   32   HG13  VAL   3          HG13      VAL   3   4.952   1.425   2.705
   33   HG21  VAL   3          HG21      VAL   3   2.985  -1.410   3.962
   34   HG22  VAL   3          HG22      VAL   3   2.723  -2.181   2.397
   35   HG23  VAL   3          HG23      VAL   3   1.863  -0.696   2.805
   36    HA   PRO   4           HA       PRO   4   6.177   2.274  -1.462
   37    HB2  PRO   4           HB2      PRO   4   4.719   3.843  -3.072
   38    HB3  PRO   4           HB1      PRO   4   4.972   2.133  -3.441
   39    HG2  PRO   4           HG2      PRO   4   2.585   3.486  -2.260
   40    HG3  PRO   4           HG1      PRO   4   2.656   2.172  -3.447
   41    HD2  PRO   4           HD2      PRO   4   2.191   1.834  -0.740
   42    HD3  PRO   4           HD1      PRO   4   2.797   0.572  -1.830
   43    H    SER   5           HN       SER   5   4.022   3.047   0.843
   44    HA   SER   5           HA       SER   5   3.861   4.681   2.387
   45    HB2  SER   5           HB2      SER   5   6.306   4.878   2.299
   46    HB3  SER   5           HB1      SER   5   6.178   5.963   0.917
   47    HG   SER   5           HG       SER   5   4.727   7.170   2.565
   48    H    GLY   6           HN       GLY   6   2.864   4.774  -0.523
   49    HA2  GLY   6           HA2      GLY   6   1.926   7.565  -0.539
   50    HA3  GLY   6           HA1      GLY   6   1.928   6.485  -1.925
   51    HA   PRO   7           HA       PRO   7  -2.352   6.095  -0.317
   52    HB2  PRO   7           HB2      PRO   7  -3.562   6.174  -2.716
   53    HB3  PRO   7           HB1      PRO   7  -3.079   7.653  -1.874
   54    HG2  PRO   7           HG2      PRO   7  -1.674   6.192  -4.085
   55    HG3  PRO   7           HG1      PRO   7  -1.974   7.934  -3.914
   56    HD2  PRO   7           HD2      PRO   7   0.407   6.786  -3.271
   57    HD3  PRO   7           HD1      PRO   7  -0.228   8.218  -2.437
   58    H    ASN   8           HN       ASN   8  -3.931   4.430  -0.847
   59    HA   ASN   8           HA       ASN   8  -4.313   2.198  -0.669
   60    HB2  ASN   8           HB2      ASN   8  -4.280   1.052  -2.875
   61    HB3  ASN   8           HB1      ASN   8  -5.064   2.623  -2.898
   62   HD21  ASN   8          HD21      ASN   8  -4.193   4.266  -4.096
   63   HD22  ASN   8          HD22      ASN   8  -2.903   4.034  -5.221
   64    HA   PRO   9           HA       PRO   9   0.225   0.839  -0.319
   65    HB2  PRO   9           HB2      PRO   9  -0.213   0.929   2.580
   66    HB3  PRO   9           HB1      PRO   9   1.110   1.603   1.626
   67    HG2  PRO   9           HG2      PRO   9  -0.733   3.163   2.801
   68    HG3  PRO   9           HG1      PRO   9   0.007   3.583   1.243
   69    HD2  PRO   9           HD2      PRO   9  -2.684   2.376   1.803
   70    HD3  PRO   9           HD1      PRO   9  -2.238   3.652   0.639
   71    H    LEU  10           HN       LEU  10  -0.174  -1.194  -0.962
   72    HA   LEU  10           HA       LEU  10  -0.222  -3.441  -0.706
   73    HB2  LEU  10           HB2      LEU  10   0.329  -2.597   1.841
   74    HB3  LEU  10           HB1      LEU  10  -1.123  -3.550   2.079
   75    HG   LEU  10           HG       LEU  10   1.405  -4.548   0.757
   76   HD11  LEU  10          HD11      LEU  10   0.302  -5.067   3.513
   77   HD12  LEU  10          HD12      LEU  10   1.737  -4.119   3.127
   78   HD13  LEU  10          HD13      LEU  10   1.711  -5.851   2.798
   79   HD21  LEU  10          HD21      LEU  10  -1.085  -6.023   1.607
   80   HD22  LEU  10          HD22      LEU  10   0.372  -6.749   0.931
   81   HD23  LEU  10          HD23      LEU  10  -0.615  -5.669  -0.054
   82    H    HIS  11           HN       HIS  11  -2.851  -1.848   1.076
   83    HA   HIS  11           HA       HIS  11  -4.722  -3.575  -0.394
   84    HB2  HIS  11           HB2      HIS  11  -4.797  -2.894   2.550
   85    HB3  HIS  11           HB1      HIS  11  -6.171  -3.564   1.676
   86    HD1  HIS  11           HD1      HIS  11  -3.272  -4.566   3.581
   87    HD2  HIS  11           HD2      HIS  11  -5.487  -6.185   0.456
   88    HE1  HIS  11           HE1      HIS  11  -2.691  -7.011   3.534
   89    HE2  HIS  11           HE2      HIS  11  -3.912  -7.931   1.532
   90    H    ASN  12           HN       ASN  12  -6.294  -2.515  -1.396
   91    HA   ASN  12           HA       ASN  12  -6.485   0.366  -0.908
   92    HB2  ASN  12           HB2      ASN  12  -7.454   0.533  -3.173
   93    HB3  ASN  12           HB1      ASN  12  -5.854  -0.190  -3.190
   94   HD21  ASN  12          HD21      ASN  12  -5.632  -2.361  -3.712
   95   HD22  ASN  12          HD22      ASN  12  -6.898  -3.256  -4.480