*HEADER    DE NOVO PROTEIN                         20-AUG-15   2N6I              
*TITLE     NMR STRUCTURE FOR A 2-STRANDED PARALLEL BETA-SHEET                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DESIGNED 2-STRANDED PARALLEL BETA-SHEET;                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    DE NOVO PROTEIN                                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    V.M.KUNG, G.CORNILESCU, S.H.GELLMAN                                   
*REVDAT   1   28-OCT-15 2N6I    0                                                


!! VMK-II-116-2stranddiC peptide, last edit 8/11/14 VMKung

!! Between top strand & middle strand:

assign ( resid 16  and name OAB ) ( resid 18  and name HN ) 1.9 0.4 0.6
assign ( resid 16  and name OAB ) ( resid 18  and name N  ) 2.9 0.5 0.7

assign ( resid 18  and name O ) ( resid 14  and name HN ) 1.9 0.4 0.6
assign ( resid 18  and name O ) ( resid 14  and name N  ) 2.9 0.5 0.7

assign ( resid 14  and name O ) ( resid 20  and name HN ) 1.9 0.4 0.6
assign ( resid 14  and name O ) ( resid 20  and name N  ) 2.9 0.5 0.7
!VMK-II-116-2stranddiC peptide, edited 12/30/2014 VMKung

!Middle Strand:

assign (resid  16 and name  CAJ) (resid  15 and name  N)
       (resid  15 and name CA) (resid  15 and name  C) 1.0  -145.50    35.00 2
assign (resid  15 and name  N) (resid  15 and name CA)
       (resid  15 and name  C) (resid 14 and name  N) 1.0   135.00    45.00 2

assign (resid 14 and name  C) (resid 13 and name  N)
       (resid 13 and name CA) (resid 13 and name  C) 1.0  -145.50    35.00 2
assign (resid 13 and name  N) (resid 13 and name CA)
       (resid 13 and name  C) (resid 12 and name  N) 1.0   135.00    45.00 2

!Top Strand:

assign (resid 18 and name  C) (resid 19 and name  N)
       (resid 19 and name CA) (resid 19 and name  C) 1.0  -145.50    35.00 2
assign (resid 19 and name  N) (resid 19 and name CA)
       (resid 19 and name  C) (resid 20 and name  N) 1.0   135.00    45.00 2

assign (resid 20 and name  C) (resid 21 and name  N)
       (resid 21 and name CA) (resid 21 and name  C) 1.0  -145.50    35.00 2
assign (resid 21 and name  N) (resid 21 and name CA)
       (resid 21 and name  C) (resid 22 and name  N) 1.0   135.00    45.00 2
!VMK-II-116-2stranddiC-height-renum-sq, edited 02/25/15

!intra-residue or sequential ROE's

assign (resid  10 and name HA  ) (resid  10 and name HB#  )  3.5  1.2  1.2
assign (resid  10 and name HA  ) (resid  10 and (name HG1 or name HG2  )) 2.6  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and (name HG2 or name HG1  )) 2.6  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and name HN  )  2.2  0.8  0.8
assign (resid  10 and name HB#  ) (resid  10 and (name HG2 or name HG1  )) 1.9  0.7  0.7
assign (resid  10 and name HB#  ) (resid  10 and name HN  )  2.9  1.0  1.0
assign (resid  10 and (name HE22 or name HE21  )) (resid  10 and (name HG2 or name HG1  )) 2.4  0.8  0.8
assign (resid  10 and (name HG1 or name HG2  )) (resid  10 and name HN  )  2.5  0.9  0.9
assign (resid  10 and (name HG2 or name HG1  )) (resid  10 and name HN  )  2.6  0.9  0.9
assign (resid  10 and name HN  ) (resid  11 and name HA  )  2.4  0.9  0.9
assign (resid  11 and name HA  ) (resid  11 and name HN  )  2.7  1.0  1.0
assign (resid  11 and name HB#  ) (resid  11 and name HN  )  2.6  0.9  0.9
assign (resid  11 and name HD#  ) (resid  11 and name HE#  )  2.9  1.0  1.0
assign (resid  11 and name HD#  ) (resid  11 and name HN  )  2.4  0.8  2.6
assign (resid  11 and name HD#  ) (resid  11 and name HZ#  )  2.5  0.9  0.9
assign (resid  11 and name HE#  ) (resid  11 and name HN  )  2.9  1.1  2.1
assign (resid  11 and name HE#  ) (resid  11 and name HZ#  )  2.3  0.8  0.8
assign (resid  11 and name HG#  ) (resid  11 and name HN  )  3.1  1.1  1.1
assign (resid  11 and name HG#  ) (resid  11 and name HZ#  )  3.3  1.2  1.2
assign (resid  11 and name HN  ) (resid  12 and name HA  )  2.1  0.7  0.7
assign (resid  12 and name HA  ) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and name HN  )  3.5  1.2  1.2
assign (resid  12 and (name HB1 or name HB2  )) (resid  12 and name HD#  )  2.4  0.8  0.8
assign (resid  12 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  12 and (name HB2 or name HB1  )) (resid  12 and name HN  )  2.9  1.0  1.0
assign (resid  12 and name HD#  ) (resid  12 and name HE#  )  1.8  0.6  0.6
assign (resid  12 and name HE#  ) (resid  12 and name HN  )  2.8  1.0  1.0
assign (resid  12 and name HN  ) (resid  13 and name HA  )  2.1  0.7  0.7
assign (resid  13 and name HA  ) (resid  13 and name HB  )  3.2  1.1  1.1
assign (resid  13 and name HA  ) (resid  13 and (name HG11 or name HG12  )) 2.5  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  13 and name HB  ) (resid  13 and (name HD1# or name HG2#  )) 3.4  1.2  1.2
assign (resid  13 and name HB  ) (resid  13 and (name HG11 or name HG12  )) 2.2  0.8  0.8
assign (resid  13 and name HB  ) (resid  13 and name HN  )  2.3  0.8  2.7
assign (resid  13 and (name HD1# or name HG2#  )) (resid  13 and (name HG11 or name HG12  )) 1.9  0.7  0.7
assign (resid  13 and (name HD1# or name HG2#  )) (resid  13 and (name HG12 or name HG11  )) 2.4  0.8  0.8
assign (resid  13 and (name HD1# or name HG2#  )) (resid  13 and name HN  )  3.3  1.2  1.2
assign (resid  13 and (name HG12 or name HG11  )) (resid  13 and name HN  )  3.0  1.0  1.0
assign (resid  13 and name HN  ) (resid  14 and name HA  )  2.2  0.8  0.8
assign (resid  14 and name HA  ) (resid  14 and name HE  )  3.3  1.5  1.7
assign (resid  14 and name HA  ) (resid  14 and name HN  )  2.1  0.7  0.7
assign (resid  14 and name HB#  ) (resid  14 and name HD#  )  2.4  0.8  0.8
assign (resid  14 and name HB#  ) (resid  14 and name HE  )  2.5  0.9  2.5
assign (resid  14 and name HB#  ) (resid  14 and name HN  )  2.4  0.8  0.8
assign (resid  14 and name HD#  ) (resid  14 and name HE  )  2.4  0.8  0.8
assign (resid  14 and name HD#  ) (resid  14 and (name HG1 or name HG2  )) 2.7  1.0  1.0
assign (resid  14 and name HD#  ) (resid  14 and (name HG2 or name HG1  )) 2.3  0.8  0.8
assign (resid  14 and name HD#  ) (resid  14 and name HN  )  3.2  1.1  1.1
assign (resid  14 and name HE  ) (resid  14 and (name HG1 or name HG2  )) 2.9  1.0  1.0
assign (resid  14 and name HE  ) (resid  14 and (name HG2 or name HG1  )) 3.0  1.0  1.0
assign (resid  14 and (name HG1 or name HG2  )) (resid  14 and name HN  )  3.1  1.1  1.1
assign (resid  14 and (name HG2 or name HG1  )) (resid  14 and name HN  )  3.5  1.2  1.2
assign (resid  14 and name HN  ) (resid  15 and name HA  )  1.9  0.7  0.7
assign (resid  15 and name HA  ) (resid  15 and name HB  )  2.6  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and name HG*  )  2.4  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and name HN  )  3.3  1.2  1.2
assign (resid  15 and name HB  ) (resid  15 and name HG*  )  2.3  0.8  0.8
assign (resid  15 and name HB  ) (resid  15 and name HN  )  2.2  0.8  2.8
assign (resid  15 and name HG*  ) (resid  15 and name HN  )  2.3  0.8  0.8
assign (resid  17 and (name HA1 or name HA2  )) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  17 and (name HA2 or name HA1  )) (resid  17 and name HN  )  3.0  1.1  1.1
assign (resid  17 and name HA#  ) (resid  18 and name HN  )  2.8  1.0  1.0
assign (resid  18 and name HA  ) (resid  18 and name HB  )  3.4  1.2  1.2
assign (resid  18 and name HA  ) (resid  18 and name HG*  )  2.3  0.8  0.8
assign (resid  18 and name HA  ) (resid  18 and name HN  )  2.6  0.9  0.9
assign (resid  18 and name HB  ) (resid  18 and name HG*  )  2.5  0.9  0.9
assign (resid  18 and name HB  ) (resid  18 and name HN  )  2.4  0.8  0.8
assign (resid  18 and name HG*  ) (resid  18 and name HN  )  2.6  0.9  0.9
assign (resid  18 and name HA  ) (resid  19 and name HN  )  2.0  0.7  0.7
assign (resid  19 and name HA  ) (resid  19 and name HN  )  2.6  0.9  0.9
assign (resid  19 and name HB  ) (resid  19 and name HG2#  )  2.4  0.8  0.8
assign (resid  19 and name HB  ) (resid  19 and name HN  )  2.9  1.0  1.0
assign (resid  19 and name HG2#  ) (resid  19 and name HN  )  3.4  1.2  1.2
assign (resid  19 and name HA  ) (resid  20 and name HN  )  2.3  0.8  0.8
assign (resid  20 and name HA  ) (resid  20 and name HB  )  2.9  1.0  1.0
assign (resid  20 and name HA  ) (resid  20 and (name HG2# or name HD1#  )) 2.4  0.9  0.9
assign (resid  20 and name HA  ) (resid  20 and name HN  )  3.0  1.1  1.1
assign (resid  20 and name HB  ) (resid  20 and (name HD1# or name HG2#  )) 3.1  1.1  1.1
assign (resid  20 and name HB  ) (resid  20 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  20 and name HB  ) (resid  20 and name HN  )  2.5  0.9  0.9
assign (resid  20 and (name HD1# or name HG2#  )) (resid  20 and (name HG11 or name HG12  )) 2.3  0.8  0.8
assign (resid  20 and (name HD1# or name HG2#  )) (resid  20 and name HN  )  3.0  1.1  1.1
assign (resid  20 and (name HG11 or name HG12  )) (resid  20 and name HN  )  3.2  1.1  1.1
assign (resid  20 and (name HG12 or name HG11  )) (resid  20 and name HN  )  3.3  1.1  1.1
assign (resid  20 and (name HG2# or name HD1#  )) (resid  20 and name HN  )  2.8  1.0  1.0
assign (resid  20 and name HA  ) (resid  21 and name HN  )  2.0  0.7  1.2
assign (resid  21 and name HA  ) (resid  21 and name HE  )  5.0  1.8  1.8
assign (resid  21 and name HA  ) (resid  21 and name HN  )  3.0  1.1  1.1
assign (resid  21 and (name HB1 or name HB2  )) (resid  21 and name HD#  )  2.3  0.8  0.8
assign (resid  21 and (name HB1 or name HB2  )) (resid  21 and name HE  )  2.8  1.0  1.0
assign (resid  21 and (name HB1 or name HB2  )) (resid  21 and name HN  )  2.7  0.9  0.9
assign (resid  21 and (name HB2 or name HB1  )) (resid  21 and name HD#  )  2.6  0.9  0.9
assign (resid  21 and (name HB2 or name HB1  )) (resid  21 and name HE  )  2.9  1.0  1.0
assign (resid  21 and (name HB2 or name HB1  )) (resid  21 and name HN  )  2.5  0.9  0.9
assign (resid  21 and name HD#  ) (resid  21 and name HE  )  2.3  0.8  0.8
assign (resid  21 and name HD#  ) (resid  21 and (name HG1 or name HG2  )) 2.4  0.8  0.8
assign (resid  21 and name HD#  ) (resid  21 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid  21 and name HD#  ) (resid  21 and name HN  )  3.8  1.3  1.3
assign (resid  21 and name HE  ) (resid  21 and (name HG1 or name HG2  )) 3.2  1.1  1.1
assign (resid  21 and name HE  ) (resid  21 and (name HG2 or name HG1  )) 2.7  0.9  0.9
assign (resid  21 and (name HG1 or name HG2  )) (resid  21 and name HN  )  3.2  1.1  1.1
assign (resid  21 and (name HG2 or name HG1  )) (resid  21 and name HN  )  2.9  1.0  1.0
assign (resid  21 and name HA  ) (resid  22 and name HN  )  2.1  0.7  0.7
assign (resid  22 and name HA  ) (resid  22 and name HB#  )  3.9  1.4  1.4
assign (resid  22 and name HA  ) (resid  22 and (name HG1 or name HG2  )) 3.1  1.1  1.1
assign (resid  22 and name HA  ) (resid  22 and (name HG2 or name HG1  )) 3.1  1.1  1.1
assign (resid  22 and name HA  ) (resid  22 and name HN  )  2.0  0.7  0.7
assign (resid  22 and name HB#  ) (resid  22 and (name HG2 or name HG1  )) 2.2  0.8  0.8
assign (resid  22 and name HB#  ) (resid  22 and name HN  )  2.6  0.9  0.9
assign (resid  22 and (name HG1 or name HG2  )) (resid  22 and name HN  )  2.7  0.9  2.3
assign (resid  23 and name HA  ) (resid  23 and name HN  )  2.4  0.8  0.8
assign (resid  23 and name HA  ) (resid  23 and name HZ#  )  3.6  1.8  1.4
assign (resid  23 and name HB#  ) (resid  23 and name HN  )  2.4  0.8  0.8
assign (resid  23 and name HB#  ) (resid  23 and name HZ#  )  3.5  1.2  1.2
assign (resid  23 and name HD#  ) (resid  23 and name HE#  )  3.3  1.2  1.2
assign (resid  23 and name HD#  ) (resid  23 and name HN  )  2.6  0.9  2.4
assign (resid  23 and name HD#  ) (resid  23 and name HZ#  )  2.7  1.0  1.0
assign (resid  23 and name HE#  ) (resid  23 and name HN  )  3.3  1.5  1.7
assign (resid  23 and name HE#  ) (resid  23 and name HZ#  )  2.4  0.8  0.8
assign (resid  23 and name HG#  ) (resid  23 and name HN  )  2.6  0.9  0.9
assign (resid  23 and name HG#  ) (resid  23 and name HZ#  )  3.4  1.2  1.2

!long-distance ROE's

assign (resid  10 and name HN  ) (resid  11 and name HZ#  )  3.0  1.0  1.5
assign (resid 20 and name HA ) (resid 12 and name HE# ) 2.8 1.0 1.0
assign (resid 10 and (name HE22 or name HE21 )) (resid 22 and name HN ) 2.7 1.0 1.0
assign (resid 12 and name HE# ) (resid 10 and (name HG2 or name HG1 )) 3.0 1.0 1.0
assign (resid 12 and name HD# ) (resid 19 and name HG2# ) 3.5 1.0 1.0
assign (resid  12 and name HZ  ) (resid 23 and name HB# )  3.0  1.2 2.0
assign (resid  12 and name HZ  ) (resid  20 and name HN  )  2.8  1.0  1.0
assign (resid  12 and name HZ  ) (resid  20 and name HA  )  2.6  1.0  1.0
assign (resid  10 and name HN  ) (resid  21 and name HE  )  2.7  1.0  1.5
assign (resid  10 and name HN  ) (resid  23 and name HA  )  1.8  0.0  3.2
assign (resid   11 and name HA  ) (resid  22 and name HN  )  1.8  0.0  3.2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HN1  NH2   9           H1       NH2   9  19.240  -8.856  -1.452
    2    HN2  NH2   9           H2       NH2   9  17.914  -9.913  -1.374
    3    H    GLN  10           HN       GLN  10  16.094  -5.737  -1.911
    4    HA   GLN  10           HA       GLN  10  18.846  -6.625  -2.477
    5    HB2  GLN  10           HB2      GLN  10  19.230  -6.792   0.006
    6    HB3  GLN  10           HB1      GLN  10  19.113  -5.139  -0.598
    7    HG2  GLN  10           HG2      GLN  10  17.800  -5.398   1.465
    8    HG3  GLN  10           HG1      GLN  10  16.743  -5.045   0.101
    9   HE21  GLN  10          HE21      GLN  10  14.940  -6.348   0.044
   10   HE22  GLN  10          HE22      GLN  10  14.852  -7.930   0.640
   11    H    LYS  11           HN       LYS  11  15.890  -1.708  -3.841
   12    HA   LYS  11           HA       LYS  11  15.306  -4.036  -2.933
   13    HB2  LYS  11           HB2      LYS  11  15.562  -5.119  -5.122
   14    HB3  LYS  11           HB1      LYS  11  14.850  -3.514  -5.250
   15    HG2  LYS  11           HG2      LYS  11  17.110  -2.596  -5.789
   16    HG3  LYS  11           HG1      LYS  11  17.757  -4.227  -5.762
   17    HD2  LYS  11           HD2      LYS  11  15.610  -3.224  -7.651
   18    HD3  LYS  11           HD1      LYS  11  17.298  -3.478  -8.069
   19    HE2  LYS  11           HE2      LYS  11  15.327  -5.632  -7.219
   20    HE3  LYS  11           HE1      LYS  11  15.959  -5.367  -8.831
   21    HZ1  LYS  11           HZ1      LYS  11  17.397  -6.332  -6.449
   22    HZ2  LYS  11           HZ2      LYS  11  18.235  -5.623  -7.746
   23    HZ3  LYS  11           HZ3      LYS  11  17.308  -7.025  -7.994
   24    H    PHE  12           HN       PHE  12  15.596  -0.363  -3.290
   25    HA   PHE  12           HA       PHE  12  18.381  -0.087  -3.202
   26    HB2  PHE  12           HB2      PHE  12  18.800  -0.496  -0.802
   27    HB3  PHE  12           HB1      PHE  12  18.044   1.069  -1.067
   28    HD1  PHE  12           HD2      PHE  12  15.317  -1.009  -1.649
   29    HD2  PHE  12           HD1      PHE  12  17.894   0.146   1.604
   30    HE1  PHE  12           HE2      PHE  12  13.587  -1.543  -0.098
   31    HE2  PHE  12           HE1      PHE  12  16.075  -0.443   3.192
   32    HZ   PHE  12           HZ       PHE  12  13.900  -1.328   2.331
   33    H    ILE  13           HN       ILE  13  15.042   4.041  -3.308
   34    HA   ILE  13           HA       ILE  13  14.054   1.260  -3.170
   35    HB   ILE  13           HB       ILE  13  14.955   0.851  -5.394
   36   HG12  ILE  13          HG12      ILE  13  16.731   2.567  -5.416
   37   HG13  ILE  13          HG11      ILE  13  15.710   2.671  -6.840
   38   HG21  ILE  13          HG21      ILE  13  13.257   2.063  -6.665
   39   HG22  ILE  13          HG22      ILE  13  13.081   3.231  -5.356
   40   HG23  ILE  13          HG23      ILE  13  12.598   1.553  -5.110
   41   HD11  ILE  13          HD11      ILE  13  15.667   4.887  -6.346
   42   HD12  ILE  13          HD12      ILE  13  16.127   4.632  -4.670
   43   HD13  ILE  13          HD13      ILE  13  14.442   4.445  -5.164
   44    H    ARG  14           HN       ARG  14  11.666   4.873  -0.461
   45    HA   ARG  14           HA       ARG  14  13.332   5.616  -2.784
   46    HB2  ARG  14           HB2      ARG  14  14.183   4.689  -0.036
   47    HB3  ARG  14           HB1      ARG  14  15.251   5.215  -1.328
   48    HG2  ARG  14           HG2      ARG  14  13.178   6.949   0.054
   49    HG3  ARG  14           HG1      ARG  14  14.905   6.990   0.368
   50    HD2  ARG  14           HD2      ARG  14  13.534   7.714  -2.248
   51    HD3  ARG  14           HD1      ARG  14  14.297   8.816  -1.124
   52    HE   ARG  14           HE       ARG  14  15.636   7.316  -3.127
   53   HH11  ARG  14          HH21      ARG  14  15.914   8.466   0.131
   54   HH12  ARG  14          HH22      ARG  14  17.645   8.426   0.138
   55   HH21  ARG  14          HH11      ARG  14  17.900   7.266  -3.117
   56   HH22  ARG  14          HH12      ARG  14  18.767   7.750  -1.698
   57    H    VAL  15           HN       VAL  15   8.940   7.891  -2.223
   58    HA   VAL  15           HA       VAL  15   9.691   5.767  -0.280
   59    HB   VAL  15           HB       VAL  15   8.847   4.187  -1.967
   60   HG11  VAL  15          HG11      VAL  15   6.457   4.763  -1.764
   61   HG12  VAL  15          HG12      VAL  15   6.888   6.414  -1.321
   62   HG13  VAL  15          HG13      VAL  15   7.306   5.076  -0.251
   63   HG21  VAL  15          HG21      VAL  15   9.239   5.324  -4.030
   64   HG22  VAL  15          HG22      VAL  15   8.337   6.745  -3.504
   65   HG23  VAL  15          HG23      VAL  15   7.484   5.246  -3.872
   66    H8   4FU  16           HAM      4FU  16  10.527  10.313  -1.400
   67    H9   4FU  16           HAI      4FU  16  10.318  12.697  -0.819
   68    HAI  4FU  16           HAJ      4FU  16   8.887  12.116  -1.698
   69   H112  4FU  16          HAE       4FU  16   8.209  13.507   0.206
   70   H111  4FU  16          HAF       4FU  16   9.112  12.452   1.316
   71    HAG  4FU  16           HAG      4FU  16   6.714  11.869   1.315
   72    H12  4FU  16           HAH      4FU  16   6.774  11.632  -0.447
   73    HAL  4FU  16           HAL      4FU  16   6.934   9.482   0.746
   74    HAK  4FU  16           HAK      4FU  16   8.373  10.060   1.619
   75    H14  4FU  16           HAN      4FU  16   8.116   9.785  -1.399
   76    H    GLY  17           HN       GLY  17  11.056   8.579   0.470
   77    HA2  GLY  17           HA2      GLY  17  13.029   9.538   2.076
   78    HA3  GLY  17           HA1      GLY  17  11.590   9.724   3.075
   79    H    VAL  18           HN       VAL  18  10.136   7.646   2.992
   80    HA   VAL  18           HA       VAL  18  11.575   5.572   4.240
   81    HB   VAL  18           HB       VAL  18   9.199   5.991   4.669
   82   HG11  VAL  18          HG11      VAL  18   8.380   6.626   2.510
   83   HG12  VAL  18          HG12      VAL  18   7.533   5.149   2.962
   84   HG13  VAL  18          HG13      VAL  18   8.855   5.083   1.800
   85   HG21  VAL  18          HG21      VAL  18   9.338   3.237   3.443
   86   HG22  VAL  18          HG22      VAL  18   8.564   3.747   4.940
   87   HG23  VAL  18          HG23      VAL  18  10.320   3.644   4.853
   88    H    THR  19           HN       THR  19  11.325   3.210   3.447
   89    HA   THR  19           HA       THR  19  11.839   2.963   0.547
   90    HB   THR  19           HB       THR  19  14.030   3.128   1.674
   91    HG1  THR  19           HG1      THR  19  13.420   1.501  -0.048
   92   HG21  THR  19          HG21      THR  19  13.286   2.313   3.897
   93   HG22  THR  19          HG22      THR  19  14.706   1.450   3.313
   94   HG23  THR  19          HG23      THR  19  13.118   0.690   3.227
   95    H    ILE  20           HN       ILE  20  11.629   0.705  -0.221
   96    HA   ILE  20           HA       ILE  20  10.157  -1.060   1.645
   97    HB   ILE  20           HB       ILE  20   8.446   0.216   0.422
   98   HG12  ILE  20          HG12      ILE  20   7.205  -1.691  -0.540
   99   HG13  ILE  20          HG11      ILE  20   8.676  -2.654  -0.568
  100   HG21  ILE  20          HG21      ILE  20   9.569  -1.029  -2.099
  101   HG22  ILE  20          HG22      ILE  20   9.974   0.607  -1.578
  102   HG23  ILE  20          HG23      ILE  20   8.304   0.196  -1.968
  103   HD11  ILE  20          HD11      ILE  20   6.987  -2.889   1.442
  104   HD12  ILE  20          HD12      ILE  20   7.780  -1.428   2.029
  105   HD13  ILE  20          HD13      ILE  20   8.722  -2.894   1.753
  106    H    ARG  21           HN       ARG  21  10.740  -3.068   1.566
  107    HA   ARG  21           HA       ARG  21  12.051  -4.183  -0.839
  108    HB2  ARG  21           HB2      ARG  21  13.680  -5.293   0.707
  109    HB3  ARG  21           HB1      ARG  21  13.861  -3.564   0.650
  110    HG2  ARG  21           HG2      ARG  21  12.433  -3.382   2.688
  111    HG3  ARG  21           HG1      ARG  21  12.395  -5.134   2.764
  112    HD2  ARG  21           HD2      ARG  21  14.868  -3.391   2.935
  113    HD3  ARG  21           HD1      ARG  21  14.099  -4.210   4.283
  114    HE   ARG  21           HE       ARG  21  14.801  -6.136   2.338
  115   HH11  ARG  21          HH21      ARG  21  16.217  -3.820   4.481
  116   HH12  ARG  21          HH22      ARG  21  17.628  -4.768   4.812
  117   HH21  ARG  21          HH11      ARG  21  16.642  -7.422   2.819
  118   HH22  ARG  21          HH12      ARG  21  17.869  -6.802   3.869
  119    H    GLU  22           HN       GLU  22  11.683  -6.270  -1.260
  120    HA   GLU  22           HA       GLU  22   9.422  -7.565  -0.177
  121    HB2  GLU  22           HB2      GLU  22  10.267  -8.007  -2.472
  122    HB3  GLU  22           HB1      GLU  22  11.727  -8.719  -1.787
  123    HG2  GLU  22           HG2      GLU  22  10.108 -10.467  -2.419
  124    HG3  GLU  22           HG1      GLU  22  10.373 -10.456  -0.677
  125    H    LYS  23           HN       LYS  23  12.853  -7.706   0.401
  126    HA   LYS  23           HA       LYS  23  14.149  -8.998   1.804
  127    HB2  LYS  23           HB2      LYS  23  13.692  -8.529   4.102
  128    HB3  LYS  23           HB1      LYS  23  13.495  -7.074   3.142
  129    HG2  LYS  23           HG2      LYS  23  11.043  -7.417   3.129
  130    HG3  LYS  23           HG1      LYS  23  11.241  -8.852   4.130
  131    HD2  LYS  23           HD2      LYS  23  12.049  -6.030   4.891
  132    HD3  LYS  23           HD1      LYS  23  10.619  -6.875   5.474
  133    HE2  LYS  23           HE2      LYS  23  12.083  -8.605   6.494
  134    HE3  LYS  23           HE1      LYS  23  13.496  -7.700   5.960
  135    HZ1  LYS  23           HZ1      LYS  23  12.537  -7.324   8.304
  136    HZ2  LYS  23           HZ2      LYS  23  11.455  -6.302   7.483
  137    HZ3  LYS  23           HZ3      LYS  23  13.129  -6.029   7.385
  138    HN1  NH2  24           H1       NH2  24  13.120 -10.234   4.332
  139    HN2  NH2  24           H2       NH2  24  12.347 -11.665   3.846
  Start of MODEL    2
    1    HN1  NH2   9           H1       NH2   9  18.174  -4.291  -3.707
    2    HN2  NH2   9           H2       NH2   9  19.176  -4.806  -4.976
    3    H    GLN  10           HN       GLN  10  15.853  -5.332  -1.838
    4    HA   GLN  10           HA       GLN  10  17.809  -6.598  -1.956
    5    HB2  GLN  10           HB2      GLN  10  16.070  -7.945  -4.025
    6    HB3  GLN  10           HB1      GLN  10  17.413  -8.688  -3.157
    7    HG2  GLN  10           HG2      GLN  10  15.413  -9.336  -2.004
    8    HG3  GLN  10           HG1      GLN  10  16.219  -8.121  -1.016
    9   HE21  GLN  10          HE21      GLN  10  14.734  -6.653  -3.733
   10   HE22  GLN  10          HE22      GLN  10  13.325  -6.129  -2.941
   11    H    LYS  11           HN       LYS  11  14.818  -1.784  -2.957
   12    HA   LYS  11           HA       LYS  11  14.243  -4.023  -2.579
   13    HB2  LYS  11           HB2      LYS  11  14.043  -3.686  -5.577
   14    HB3  LYS  11           HB1      LYS  11  13.218  -4.888  -4.587
   15    HG2  LYS  11           HG2      LYS  11  12.086  -3.130  -3.321
   16    HG3  LYS  11           HG1      LYS  11  12.950  -1.897  -4.228
   17    HD2  LYS  11           HD2      LYS  11  10.676  -2.113  -5.089
   18    HD3  LYS  11           HD1      LYS  11  11.823  -2.654  -6.305
   19    HE2  LYS  11           HE2      LYS  11  10.303  -4.490  -4.437
   20    HE3  LYS  11           HE1      LYS  11   9.834  -4.150  -6.099
   21    HZ1  LYS  11           HZ1      LYS  11  12.450  -4.880  -6.279
   22    HZ2  LYS  11           HZ2      LYS  11  11.113  -5.869  -6.627
   23    HZ3  LYS  11           HZ3      LYS  11  11.838  -5.923  -5.090
   24    H    PHE  12           HN       PHE  12  15.348   0.183  -2.634
   25    HA   PHE  12           HA       PHE  12  17.208  -0.317  -4.811
   26    HB2  PHE  12           HB2      PHE  12  18.634  -1.218  -2.985
   27    HB3  PHE  12           HB1      PHE  12  18.109   0.437  -2.668
   28    HD1  PHE  12           HD1      PHE  12  17.037  -3.135  -2.031
   29    HD2  PHE  12           HD2      PHE  12  17.042   0.934  -0.652
   30    HE1  PHE  12           HE1      PHE  12  15.792  -3.824  -0.015
   31    HE2  PHE  12           HE2      PHE  12  15.833   0.235   1.397
   32    HZ   PHE  12           HZ       PHE  12  15.221  -2.127   1.712
   33    H    ILE  13           HN       ILE  13  14.341   3.532  -4.219
   34    HA   ILE  13           HA       ILE  13  13.382   1.009  -3.011
   35    HB   ILE  13           HB       ILE  13  12.241   0.630  -5.180
   36   HG12  ILE  13          HG12      ILE  13  13.119   3.481  -5.798
   37   HG13  ILE  13          HG11      ILE  13  13.685   2.048  -6.640
   38   HG21  ILE  13          HG21      ILE  13  11.167   1.761  -3.199
   39   HG22  ILE  13          HG22      ILE  13  10.446   2.200  -4.749
   40   HG23  ILE  13          HG23      ILE  13  11.552   3.313  -3.943
   41   HD11  ILE  13          HD11      ILE  13  11.924   3.025  -7.963
   42   HD12  ILE  13          HD12      ILE  13  10.852   3.095  -6.566
   43   HD13  ILE  13          HD13      ILE  13  11.304   1.535  -7.253
   44    H    ARG  14           HN       ARG  14  13.011   4.995  -0.926
   45    HA   ARG  14           HA       ARG  14  14.924   5.138  -2.971
   46    HB2  ARG  14           HB2      ARG  14  16.463   5.690  -1.170
   47    HB3  ARG  14           HB1      ARG  14  15.936   4.287  -0.251
   48    HG2  ARG  14           HG2      ARG  14  18.083   3.843  -1.365
   49    HG3  ARG  14           HG1      ARG  14  16.827   2.798  -2.009
   50    HD2  ARG  14           HD2      ARG  14  18.243   3.732  -3.796
   51    HD3  ARG  14           HD1      ARG  14  16.582   4.259  -3.967
   52    HE   ARG  14           HE       ARG  14  18.001   6.168  -2.438
   53   HH11  ARG  14          HH21      ARG  14  17.805   4.852  -5.632
   54   HH12  ARG  14          HH22      ARG  14  18.337   6.304  -6.413
   55   HH21  ARG  14          HH11      ARG  14  18.696   8.078  -3.455
   56   HH22  ARG  14          HH12      ARG  14  18.842   8.130  -5.180
   57    H    VAL  15           HN       VAL  15  14.085   7.322   1.311
   58    HA   VAL  15           HA       VAL  15  11.918   6.915  -0.465
   59    HB   VAL  15           HB       VAL  15  11.807   9.367  -0.472
   60   HG11  VAL  15          HG11      VAL  15  14.455   9.659  -1.832
   61   HG12  VAL  15          HG12      VAL  15  14.512   9.368  -0.096
   62   HG13  VAL  15          HG13      VAL  15  13.631  10.756  -0.726
   63   HG21  VAL  15          HG21      VAL  15  11.392   7.988  -2.550
   64   HG22  VAL  15          HG22      VAL  15  13.044   8.352  -3.048
   65   HG23  VAL  15          HG23      VAL  15  11.870   9.656  -2.871
   66    H8   4FU  16           HAM      4FU  16  12.254   9.114   5.190
   67    H9   4FU  16           HAI      4FU  16  11.546  10.430   2.544
   68    HAI  4FU  16           HAJ      4FU  16  11.235  11.107   4.160
   69   H112  4FU  16          HAE       4FU  16  13.649  11.103   4.646
   70   H111  4FU  16          HAF       4FU  16  13.289  12.055   3.187
   71    HAG  4FU  16           HAG      4FU  16  13.914  10.133   1.770
   72    H12  4FU  16           HAH      4FU  16  15.250  10.586   2.856
   73    HAL  4FU  16           HAL      4FU  16  14.593   8.807   4.422
   74    HAK  4FU  16           HAK      4FU  16  14.918   8.128   2.810
   75    H14  4FU  16           HAN      4FU  16  12.856   7.180   3.777
   76    H    GLY  17           HN       GLY  17  11.044   6.927   3.061
   77    HA2  GLY  17           HA2      GLY  17   8.734   6.306   4.382
   78    HA3  GLY  17           HA1      GLY  17   8.228   7.526   3.216
   79    H    VAL  18           HN       VAL  18   9.530   7.016   0.962
   80    HA   VAL  18           HA       VAL  18   8.401   4.473   0.122
   81    HB   VAL  18           HB       VAL  18   9.825   6.629  -1.460
   82   HG11  VAL  18          HG11      VAL  18   8.648   3.978  -2.205
   83   HG12  VAL  18          HG12      VAL  18   9.947   4.886  -2.978
   84   HG13  VAL  18          HG13      VAL  18   8.272   5.328  -3.275
   85   HG21  VAL  18          HG21      VAL  18   7.602   7.374  -2.067
   86   HG22  VAL  18          HG22      VAL  18   7.676   7.273  -0.308
   87   HG23  VAL  18          HG23      VAL  18   6.866   6.007  -1.231
   88    H    THR  19           HN       THR  19  10.599   4.339   1.923
   89    HA   THR  19           HA       THR  19  12.613   2.954   0.247
   90    HB   THR  19           HB       THR  19  13.035   4.321   2.915
   91    HG1  THR  19           HG1      THR  19  14.501   5.552   1.453
   92   HG21  THR  19          HG21      THR  19  15.472   3.832   2.306
   93   HG22  THR  19          HG22      THR  19  14.837   2.713   1.100
   94   HG23  THR  19          HG23      THR  19  14.501   2.448   2.810
   95    H    ILE  20           HN       ILE  20  12.791   0.747   0.633
   96    HA   ILE  20           HA       ILE  20  12.265  -0.266   3.287
   97    HB   ILE  20           HB       ILE  20   9.975   0.280   2.527
   98   HG12  ILE  20          HG12      ILE  20   8.936  -1.936   2.894
   99   HG13  ILE  20          HG11      ILE  20  10.494  -2.714   2.665
  100   HG21  ILE  20          HG21      ILE  20  10.519  -0.084   0.094
  101   HG22  ILE  20          HG22      ILE  20   9.004  -0.821   0.616
  102   HG23  ILE  20          HG23      ILE  20  10.442  -1.820   0.396
  103   HD11  ILE  20          HD11      ILE  20  11.342  -1.887   4.699
  104   HD12  ILE  20          HD12      ILE  20   9.657  -2.187   5.098
  105   HD13  ILE  20          HD13      ILE  20  10.198  -0.548   4.741
  106    H    ARG  21           HN       ARG  21  12.494  -2.435   3.589
  107    HA   ARG  21           HA       ARG  21  13.974  -3.939   1.525
  108    HB2  ARG  21           HB2      ARG  21  15.261  -3.409   3.551
  109    HB3  ARG  21           HB1      ARG  21  13.964  -4.014   4.557
  110    HG2  ARG  21           HG2      ARG  21  15.794  -5.616   4.435
  111    HG3  ARG  21           HG1      ARG  21  14.336  -6.264   3.718
  112    HD2  ARG  21           HD2      ARG  21  16.371  -6.803   2.407
  113    HD3  ARG  21           HD1      ARG  21  15.223  -5.860   1.469
  114    HE   ARG  21           HE       ARG  21  16.966  -4.044   2.608
  115   HH11  ARG  21          HH21      ARG  21  17.192  -6.820   0.588
  116   HH12  ARG  21          HH22      ARG  21  18.476  -6.175  -0.381
  117   HH21  ARG  21          HH11      ARG  21  18.633  -3.178   1.348
  118   HH22  ARG  21          HH12      ARG  21  19.283  -4.108   0.039
  119    H    GLU  22           HN       GLU  22  12.126  -4.775   0.519
  120    HA   GLU  22           HA       GLU  22   9.993  -6.045   1.855
  121    HB2  GLU  22           HB2      GLU  22   9.837  -5.258  -0.483
  122    HB3  GLU  22           HB1      GLU  22  11.031  -6.463  -0.965
  123    HG2  GLU  22           HG2      GLU  22   8.740  -7.241  -1.447
  124    HG3  GLU  22           HG1      GLU  22   9.513  -8.272  -0.249
  125    H    LYS  23           HN       LYS  23  13.046  -7.205   0.561
  126    HA   LYS  23           HA       LYS  23  13.393  -9.579   0.242
  127    HB2  LYS  23           HB2      LYS  23  15.158  -8.154   1.029
  128    HB3  LYS  23           HB1      LYS  23  14.542  -8.233   2.668
  129    HG2  LYS  23           HG2      LYS  23  16.449  -9.707   2.415
  130    HG3  LYS  23           HG1      LYS  23  15.001 -10.642   2.733
  131    HD2  LYS  23           HD2      LYS  23  14.798 -11.158   0.324
  132    HD3  LYS  23           HD1      LYS  23  16.239 -10.198   0.001
  133    HE2  LYS  23           HE2      LYS  23  16.086 -12.628   1.770
  134    HE3  LYS  23           HE1      LYS  23  16.724 -12.602   0.131
  135    HZ1  LYS  23           HZ1      LYS  23  18.164 -10.667   1.184
  136    HZ2  LYS  23           HZ2      LYS  23  18.645 -12.293   1.264
  137    HZ3  LYS  23           HZ3      LYS  23  17.889 -11.564   2.598
  138    HN1  NH2  24           H1       NH2  24  12.497 -11.580   0.805
  139    HN2  NH2  24           H2       NH2  24  11.805 -11.946   2.312
  Start of MODEL    3
    1    HN1  NH2   9           H1       NH2   9  20.965  -5.560   0.195
    2    HN2  NH2   9           H2       NH2   9  21.325  -7.119  -0.369
    3    H    GLN  10           HN       GLN  10  16.844  -5.766  -1.577
    4    HA   GLN  10           HA       GLN  10  18.938  -4.646   0.217
    5    HB2  GLN  10           HB2      GLN  10  17.014  -6.909   0.792
    6    HB3  GLN  10           HB1      GLN  10  18.123  -6.157   1.935
    7    HG2  GLN  10           HG2      GLN  10  15.930  -5.193   2.297
    8    HG3  GLN  10           HG1      GLN  10  16.927  -3.965   1.526
    9   HE21  GLN  10          HE21      GLN  10  15.740  -2.899  -0.062
   10   HE22  GLN  10          HE22      GLN  10  14.616  -3.653  -1.083
   11    H    LYS  11           HN       LYS  11  16.722  -2.079  -4.307
   12    HA   LYS  11           HA       LYS  11  16.181  -4.457  -3.193
   13    HB2  LYS  11           HB2      LYS  11  17.233  -4.203  -5.403
   14    HB3  LYS  11           HB1      LYS  11  18.745  -3.804  -4.590
   15    HG2  LYS  11           HG2      LYS  11  18.868  -6.006  -3.580
   16    HG3  LYS  11           HG1      LYS  11  17.271  -6.417  -4.187
   17    HD2  LYS  11           HD2      LYS  11  19.034  -7.473  -5.541
   18    HD3  LYS  11           HD1      LYS  11  18.120  -6.316  -6.499
   19    HE2  LYS  11           HE2      LYS  11  20.790  -5.736  -5.193
   20    HE3  LYS  11           HE1      LYS  11  20.580  -6.170  -6.887
   21    HZ1  LYS  11           HZ1      LYS  11  20.275  -3.661  -5.640
   22    HZ2  LYS  11           HZ2      LYS  11  18.805  -4.121  -6.356
   23    HZ3  LYS  11           HZ3      LYS  11  20.222  -4.042  -7.293
   24    H    PHE  12           HN       PHE  12  14.373  -0.761  -3.188
   25    HA   PHE  12           HA       PHE  12  17.032   0.136  -3.369
   26    HB2  PHE  12           HB2      PHE  12  17.584   0.387  -0.974
   27    HB3  PHE  12           HB1      PHE  12  16.546   1.665  -1.583
   28    HD1  PHE  12           HD2      PHE  12  14.369  -1.128  -1.305
   29    HD2  PHE  12           HD1      PHE  12  16.543   1.683   1.135
   30    HE1  PHE  12           HE2      PHE  12  12.742  -1.401   0.499
   31    HE2  PHE  12           HE1      PHE  12  14.877   1.357   2.939
   32    HZ   PHE  12           HZ       PHE  12  12.944  -0.170   2.578
   33    H    ILE  13           HN       ILE  13  13.155   3.361  -4.428
   34    HA   ILE  13           HA       ILE  13  12.480   0.681  -3.365
   35    HB   ILE  13           HB       ILE  13  13.359  -0.498  -5.256
   36   HG12  ILE  13          HG12      ILE  13  15.114   1.041  -5.992
   37   HG13  ILE  13          HG11      ILE  13  14.064   0.647  -7.337
   38   HG21  ILE  13          HG21      ILE  13  10.947   0.936  -5.326
   39   HG22  ILE  13          HG22      ILE  13  11.383  -0.398  -6.387
   40   HG23  ILE  13          HG23      ILE  13  11.664   1.259  -6.903
   41   HD11  ILE  13          HD11      ILE  13  14.462   3.239  -5.945
   42   HD12  ILE  13          HD12      ILE  13  12.833   2.879  -6.498
   43   HD13  ILE  13          HD13      ILE  13  14.158   2.907  -7.645
   44    H    ARG  14           HN       ARG  14  10.942   5.658  -2.107
   45    HA   ARG  14           HA       ARG  14   9.875   4.460  -3.681
   46    HB2  ARG  14           HB2      ARG  14  11.070   6.035  -5.186
   47    HB3  ARG  14           HB1      ARG  14  12.365   4.854  -5.323
   48    HG2  ARG  14           HG2      ARG  14  10.945   4.602  -7.260
   49    HG3  ARG  14           HG1      ARG  14  10.667   3.221  -6.212
   50    HD2  ARG  14           HD2      ARG  14   8.560   4.126  -7.112
   51    HD3  ARG  14           HD1      ARG  14   8.596   4.211  -5.364
   52    HE   ARG  14           HE       ARG  14   9.604   6.631  -6.431
   53   HH11  ARG  14          HH21      ARG  14   6.686   4.793  -6.160
   54   HH12  ARG  14          HH22      ARG  14   5.647   6.179  -6.189
   55   HH21  ARG  14          HH11      ARG  14   8.251   8.452  -6.471
   56   HH22  ARG  14          HH12      ARG  14   6.534   8.251  -6.366
   57    H    VAL  15           HN       VAL  15  15.171   5.441  -1.276
   58    HA   VAL  15           HA       VAL  15  12.418   6.339  -0.759
   59    HB   VAL  15           HB       VAL  15  14.245   7.748  -2.714
   60   HG11  VAL  15          HG11      VAL  15  11.284   7.941  -2.122
   61   HG12  VAL  15          HG12      VAL  15  12.062   7.652  -3.678
   62   HG13  VAL  15          HG13      VAL  15  12.175   9.240  -2.917
   63   HG21  VAL  15          HG21      VAL  15  13.016   8.529  -0.059
   64   HG22  VAL  15          HG22      VAL  15  13.589   9.726  -1.219
   65   HG23  VAL  15          HG23      VAL  15  14.719   8.569  -0.519
   66    H8   4FU  16           HAM      4FU  16  15.383   3.646   1.403
   67    H9   4FU  16           HAI      4FU  16  16.788   3.218   3.380
   68    HAI  4FU  16           HAJ      4FU  16  17.732   3.833   2.006
   69   H112  4FU  16          HAE       4FU  16  18.409   4.941   4.096
   70   H111  4FU  16          HAF       4FU  16  16.737   5.486   4.355
   71    HAG  4FU  16           HAG      4FU  16  18.109   7.273   3.325
   72    H12  4FU  16           HAH      4FU  16  18.510   6.181   1.981
   73    HAL  4FU  16           HAL      4FU  16  16.703   7.690   1.337
   74    HAK  4FU  16           HAK      4FU  16  15.725   7.182   2.724
   75    H14  4FU  16           HAN      4FU  16  16.661   5.454   0.400
   76    H    GLY  17           HN       GLY  17  15.460   6.320   3.830
   77    HA2  GLY  17           HA2      GLY  17  13.886   5.548   5.813
   78    HA3  GLY  17           HA1      GLY  17  13.627   7.121   5.070
   79    H    VAL  18           HN       VAL  18  12.145   7.107   3.105
   80    HA   VAL  18           HA       VAL  18   9.800   5.411   3.687
   81    HB   VAL  18           HB       VAL  18  10.104   7.798   1.837
   82   HG11  VAL  18          HG11      VAL  18   7.722   6.134   2.699
   83   HG12  VAL  18          HG12      VAL  18   8.318   6.380   1.057
   84   HG13  VAL  18          HG13      VAL  18   7.573   7.717   1.933
   85   HG21  VAL  18          HG21      VAL  18   8.978   9.060   3.553
   86   HG22  VAL  18          HG22      VAL  18  10.318   8.223   4.335
   87   HG23  VAL  18          HG23      VAL  18   8.675   7.606   4.505
   88    H    THR  19           HN       THR  19  10.643   3.464   2.839
   89    HA   THR  19           HA       THR  19  10.420   3.262  -0.065
   90    HB   THR  19           HB       THR  19  12.936   2.470   1.403
   91    HG1  THR  19           HG1      THR  19  12.458   4.483  -0.528
   92   HG21  THR  19          HG21      THR  19  12.285   2.509  -1.523
   93   HG22  THR  19          HG22      THR  19  12.281   1.052  -0.570
   94   HG23  THR  19          HG23      THR  19  13.772   1.950  -0.815
   95    H    ILE  20           HN       ILE  20  10.140   1.129  -0.789
   96    HA   ILE  20           HA       ILE  20   9.634  -0.961   1.233
   97    HB   ILE  20           HB       ILE  20   7.787  -0.194  -1.039
   98   HG12  ILE  20          HG12      ILE  20   7.644   1.362   0.873
   99   HG13  ILE  20          HG11      ILE  20   6.182   0.396   0.725
  100   HG21  ILE  20          HG21      ILE  20   7.764  -2.469   0.940
  101   HG22  ILE  20          HG22      ILE  20   7.649  -2.543  -0.818
  102   HG23  ILE  20          HG23      ILE  20   6.296  -1.924   0.130
  103   HD11  ILE  20          HD11      ILE  20   7.688  -1.153   2.453
  104   HD12  ILE  20          HD12      ILE  20   6.473   0.015   2.947
  105   HD13  ILE  20          HD13      ILE  20   8.165   0.478   2.907
  106    H    ARG  21           HN       ARG  21  10.321  -2.946   0.683
  107    HA   ARG  21           HA       ARG  21  10.414  -3.982  -1.924
  108    HB2  ARG  21           HB2      ARG  21  12.266  -2.446  -2.224
  109    HB3  ARG  21           HB1      ARG  21  13.019  -3.027  -0.766
  110    HG2  ARG  21           HG2      ARG  21  14.104  -3.880  -2.707
  111    HG3  ARG  21           HG1      ARG  21  13.378  -5.172  -1.776
  112    HD2  ARG  21           HD2      ARG  21  11.514  -5.252  -3.352
  113    HD3  ARG  21           HD1      ARG  21  12.216  -3.913  -4.259
  114    HE   ARG  21           HE       ARG  21  13.082  -6.624  -4.261
  115   HH11  ARG  21          HH21      ARG  21  14.021  -3.344  -4.677
  116   HH12  ARG  21          HH22      ARG  21  15.503  -3.726  -5.488
  117   HH21  ARG  21          HH11      ARG  21  15.012  -7.156  -5.326
  118   HH22  ARG  21          HH12      ARG  21  16.064  -5.886  -5.855
  119    H    GLU  22           HN       GLU  22  11.558  -6.222  -1.866
  120    HA   GLU  22           HA       GLU  22  10.722  -7.497   0.564
  121    HB2  GLU  22           HB2      GLU  22  12.137  -8.673  -1.839
  122    HB3  GLU  22           HB1      GLU  22  11.487  -9.611  -0.496
  123    HG2  GLU  22           HG2      GLU  22   9.880  -9.593  -2.335
  124    HG3  GLU  22           HG1      GLU  22   9.230  -8.682  -0.976
  125    H    LYS  23           HN       LYS  23  11.923  -7.046   2.301
  126    HA   LYS  23           HA       LYS  23  14.847  -7.215   2.167
  127    HB2  LYS  23           HB2      LYS  23  14.764  -6.332   4.475
  128    HB3  LYS  23           HB1      LYS  23  13.857  -5.324   3.347
  129    HG2  LYS  23           HG2      LYS  23  11.754  -6.378   4.048
  130    HG3  LYS  23           HG1      LYS  23  12.628  -7.452   5.128
  131    HD2  LYS  23           HD2      LYS  23  11.633  -5.611   6.399
  132    HD3  LYS  23           HD1      LYS  23  13.387  -5.513   6.458
  133    HE2  LYS  23           HE2      LYS  23  12.355  -3.294   6.105
  134    HE3  LYS  23           HE1      LYS  23  13.353  -3.735   4.734
  135    HZ1  LYS  23           HZ1      LYS  23  10.509  -4.458   4.704
  136    HZ2  LYS  23           HZ2      LYS  23  11.535  -4.068   3.406
  137    HZ3  LYS  23           HZ3      LYS  23  10.934  -2.843   4.416
  138    HN1  NH2  24           H1       NH2  24  16.053  -8.792   3.345
  139    HN2  NH2  24           H2       NH2  24  15.325 -10.155   4.047
  Start of MODEL    4
    1    HN1  NH2   9           H1       NH2   9  21.402  -6.270  -0.043
    2    HN2  NH2   9           H2       NH2   9  22.198  -7.046  -1.325
    3    H    GLN  10           HN       GLN  10  17.042  -6.279  -1.766
    4    HA   GLN  10           HA       GLN  10  19.172  -5.735  -0.086
    5    HB2  GLN  10           HB2      GLN  10  18.010  -8.453  -0.737
    6    HB3  GLN  10           HB1      GLN  10  19.021  -8.093   0.663
    7    HG2  GLN  10           HG2      GLN  10  17.365  -6.485   1.492
    8    HG3  GLN  10           HG1      GLN  10  16.394  -6.747   0.072
    9   HE21  GLN  10          HE21      GLN  10  14.727  -8.212   0.308
   10   HE22  GLN  10          HE22      GLN  10  14.738  -9.502   1.420
   11    H    LYS  11           HN       LYS  11  18.347  -2.715  -3.768
   12    HA   LYS  11           HA       LYS  11  16.411  -4.944  -3.512
   13    HB2  LYS  11           HB2      LYS  11  18.817  -4.850  -5.346
   14    HB3  LYS  11           HB1      LYS  11  17.800  -6.249  -5.096
   15    HG2  LYS  11           HG2      LYS  11  16.970  -3.605  -6.334
   16    HG3  LYS  11           HG1      LYS  11  17.222  -5.113  -7.194
   17    HD2  LYS  11           HD2      LYS  11  15.016  -4.529  -5.189
   18    HD3  LYS  11           HD1      LYS  11  14.840  -4.743  -6.914
   19    HE2  LYS  11           HE2      LYS  11  15.702  -6.881  -4.944
   20    HE3  LYS  11           HE1      LYS  11  14.166  -6.780  -5.781
   21    HZ1  LYS  11           HZ1      LYS  11  15.249  -8.163  -7.173
   22    HZ2  LYS  11           HZ2      LYS  11  16.783  -7.530  -6.813
   23    HZ3  LYS  11           HZ3      LYS  11  15.739  -6.691  -7.859
   24    H    PHE  12           HN       PHE  12  14.610  -0.545  -4.022
   25    HA   PHE  12           HA       PHE  12  17.373  -0.630  -4.470
   26    HB2  PHE  12           HB2      PHE  12  18.199  -1.244  -2.228
   27    HB3  PHE  12           HB1      PHE  12  17.681   0.433  -2.310
   28    HD1  PHE  12           HD2      PHE  12  14.544  -0.858  -2.280
   29    HD2  PHE  12           HD1      PHE  12  17.998  -0.856   0.283
   30    HE1  PHE  12           HE2      PHE  12  13.101  -1.121  -0.365
   31    HE2  PHE  12           HE1      PHE  12  16.504  -1.167   2.237
   32    HZ   PHE  12           HZ       PHE  12  14.037  -1.289   1.912
   33    H    ILE  13           HN       ILE  13  14.560   3.946  -3.788
   34    HA   ILE  13           HA       ILE  13  13.337   1.250  -3.670
   35    HB   ILE  13           HB       ILE  13  12.835   2.509  -5.728
   36   HG12  ILE  13          HG12      ILE  13  14.822   0.250  -6.176
   37   HG13  ILE  13          HG11      ILE  13  13.113   0.036  -5.804
   38   HG21  ILE  13          HG21      ILE  13  14.655   3.101  -7.284
   39   HG22  ILE  13          HG22      ILE  13  15.849   2.489  -6.141
   40   HG23  ILE  13          HG23      ILE  13  14.898   3.917  -5.742
   41   HD11  ILE  13          HD11      ILE  13  13.463  -0.153  -8.217
   42   HD12  ILE  13          HD12      ILE  13  14.260   1.419  -8.248
   43   HD13  ILE  13          HD13      ILE  13  12.540   1.307  -7.869
   44    H    ARG  14           HN       ARG  14  12.072   5.138  -0.134
   45    HA   ARG  14           HA       ARG  14  13.488   5.539  -2.614
   46    HB2  ARG  14           HB2      ARG  14  14.531   6.011  -0.452
   47    HB3  ARG  14           HB1      ARG  14  14.341   4.324   0.012
   48    HG2  ARG  14           HG2      ARG  14  15.796   3.631  -1.847
   49    HG3  ARG  14           HG1      ARG  14  15.974   5.318  -2.335
   50    HD2  ARG  14           HD2      ARG  14  16.745   4.174   0.356
   51    HD3  ARG  14           HD1      ARG  14  17.878   4.560  -0.937
   52    HE   ARG  14           HE       ARG  14  16.775   6.396   0.932
   53   HH11  ARG  14          HH21      ARG  14  17.648   6.047  -2.406
   54   HH12  ARG  14          HH22      ARG  14  17.878   7.745  -2.660
   55   HH21  ARG  14          HH11      ARG  14  17.082   8.615   0.598
   56   HH22  ARG  14          HH12      ARG  14  17.559   9.196  -0.962
   57    H    VAL  15           HN       VAL  15   9.381   7.777  -2.030
   58    HA   VAL  15           HA       VAL  15  10.043   5.821   0.108
   59    HB   VAL  15           HB       VAL  15   7.768   5.411  -0.729
   60   HG11  VAL  15          HG11      VAL  15   7.252   5.090  -3.001
   61   HG12  VAL  15          HG12      VAL  15   8.936   4.836  -3.452
   62   HG13  VAL  15          HG13      VAL  15   8.369   6.455  -3.039
   63   HG21  VAL  15          HG21      VAL  15   9.297   3.518  -0.124
   64   HG22  VAL  15          HG22      VAL  15   9.740   3.384  -1.827
   65   HG23  VAL  15          HG23      VAL  15   8.079   3.075  -1.322
   66    H8   4FU  16           HAM      4FU  16  10.927  10.152  -1.224
   67    H9   4FU  16           HAI      4FU  16  10.795  12.582  -0.840
   68    HAI  4FU  16           HAJ      4FU  16   9.425  12.005  -1.814
   69   H112  4FU  16          HAE       4FU  16   8.647  13.569  -0.090
   70   H111  4FU  16          HAF       4FU  16   9.378  12.557   1.177
   71    HAG  4FU  16           HAG      4FU  16   6.961  12.095   0.974
   72    H12  4FU  16           HAH      4FU  16   7.179  11.722  -0.751
   73    HAL  4FU  16           HAL      4FU  16   7.102   9.664   0.602
   74    HAK  4FU  16           HAK      4FU  16   8.479  10.236   1.572
   75    H14  4FU  16           HAN      4FU  16   8.501   9.742  -1.429
   76    H    GLY  17           HN       GLY  17  11.170   8.542   0.809
   77    HA2  GLY  17           HA2      GLY  17  12.968   9.694   2.572
   78    HA3  GLY  17           HA1      GLY  17  11.410   9.726   3.390
   79    H    VAL  18           HN       VAL  18  10.204   7.573   3.352
   80    HA   VAL  18           HA       VAL  18  11.794   5.605   4.587
   81    HB   VAL  18           HB       VAL  18   9.728   4.276   4.542
   82   HG11  VAL  18          HG11      VAL  18  10.106   6.193   6.161
   83   HG12  VAL  18          HG12      VAL  18   8.417   5.755   5.902
   84   HG13  VAL  18          HG13      VAL  18   9.093   7.175   5.103
   85   HG21  VAL  18          HG21      VAL  18   8.708   6.528   2.794
   86   HG22  VAL  18          HG22      VAL  18   7.709   5.243   3.470
   87   HG23  VAL  18          HG23      VAL  18   8.957   4.859   2.285
   88    H    THR  19           HN       THR  19  11.314   3.195   3.746
   89    HA   THR  19           HA       THR  19  11.837   2.979   0.854
   90    HB   THR  19           HB       THR  19  14.053   3.108   1.956
   91    HG1  THR  19           HG1      THR  19  13.073   0.903   0.634
   92   HG21  THR  19          HG21      THR  19  13.190   0.602   3.420
   93   HG22  THR  19          HG22      THR  19  13.262   2.203   4.157
   94   HG23  THR  19          HG23      THR  19  14.736   1.437   3.567
   95    H    ILE  20           HN       ILE  20  11.363   0.860   0.004
   96    HA   ILE  20           HA       ILE  20  10.312  -1.152   1.848
   97    HB   ILE  20           HB       ILE  20   8.387   0.362   1.575
   98   HG12  ILE  20          HG12      ILE  20   8.057  -2.242   0.040
   99   HG13  ILE  20          HG11      ILE  20   8.009  -2.087   1.795
  100   HG21  ILE  20          HG21      ILE  20   9.192   1.099  -0.760
  101   HG22  ILE  20          HG22      ILE  20   7.455   0.880  -0.548
  102   HG23  ILE  20          HG23      ILE  20   8.409  -0.362  -1.360
  103   HD11  ILE  20          HD11      ILE  20   6.109  -0.794  -0.183
  104   HD12  ILE  20          HD12      ILE  20   6.097  -0.493   1.555
  105   HD13  ILE  20          HD13      ILE  20   5.730  -2.104   0.936
  106    H    ARG  21           HN       ARG  21  10.280  -3.193   1.018
  107    HA   ARG  21           HA       ARG  21  10.264  -3.810  -1.722
  108    HB2  ARG  21           HB2      ARG  21  12.577  -4.541  -2.045
  109    HB3  ARG  21           HB1      ARG  21  12.434  -2.817  -1.816
  110    HG2  ARG  21           HG2      ARG  21  14.335  -3.541  -0.552
  111    HG3  ARG  21           HG1      ARG  21  13.066  -3.176   0.602
  112    HD2  ARG  21           HD2      ARG  21  14.324  -5.302   1.024
  113    HD3  ARG  21           HD1      ARG  21  12.585  -5.437   0.969
  114    HE   ARG  21           HE       ARG  21  12.906  -6.885  -0.832
  115   HH11  ARG  21          HH21      ARG  21  15.533  -4.673  -0.567
  116   HH12  ARG  21          HH22      ARG  21  16.340  -5.249  -1.972
  117   HH21  ARG  21          HH11      ARG  21  13.954  -7.656  -2.685
  118   HH22  ARG  21          HH12      ARG  21  15.449  -6.939  -3.182
  119    H    GLU  22           HN       GLU  22  11.570  -6.289  -1.818
  120    HA   GLU  22           HA       GLU  22   9.631  -7.918  -0.611
  121    HB2  GLU  22           HB2      GLU  22  12.419  -8.670  -1.522
  122    HB3  GLU  22           HB1      GLU  22  11.114  -9.809  -1.220
  123    HG2  GLU  22           HG2      GLU  22  11.072  -7.609  -3.312
  124    HG3  GLU  22           HG1      GLU  22  11.377  -9.309  -3.635
  125    H    LYS  23           HN       LYS  23  12.895  -7.181   0.515
  126    HA   LYS  23           HA       LYS  23  13.961  -7.438   2.461
  127    HB2  LYS  23           HB2      LYS  23  12.118  -6.012   3.167
  128    HB3  LYS  23           HB1      LYS  23  11.123  -7.428   3.510
  129    HG2  LYS  23           HG2      LYS  23  12.832  -8.210   5.120
  130    HG3  LYS  23           HG1      LYS  23  13.774  -6.766   4.792
  131    HD2  LYS  23           HD2      LYS  23  10.969  -6.807   5.927
  132    HD3  LYS  23           HD1      LYS  23  12.429  -6.580   6.878
  133    HE2  LYS  23           HE2      LYS  23  11.394  -4.703   4.716
  134    HE3  LYS  23           HE1      LYS  23  11.368  -4.420   6.445
  135    HZ1  LYS  23           HZ1      LYS  23  13.908  -4.868   6.229
  136    HZ2  LYS  23           HZ2      LYS  23  13.265  -3.336   5.875
  137    HZ3  LYS  23           HZ3      LYS  23  13.656  -4.406   4.616
  138    HN1  NH2  24           H1       NH2  24  14.960  -9.341   3.118
  139    HN2  NH2  24           H2       NH2  24  14.174 -10.823   3.380
  Start of MODEL    5
    1    HN1  NH2   9           H1       NH2   9  21.286  -5.564  -1.294
    2    HN2  NH2   9           H2       NH2   9  21.676  -6.711  -2.483
    3    H    GLN  10           HN       GLN  10  16.742  -6.113  -1.290
    4    HA   GLN  10           HA       GLN  10  19.295  -5.360  -0.317
    5    HB2  GLN  10           HB2      GLN  10  18.035  -8.116  -0.230
    6    HB3  GLN  10           HB1      GLN  10  19.334  -7.529   0.810
    7    HG2  GLN  10           HG2      GLN  10  16.542  -6.403   0.649
    8    HG3  GLN  10           HG1      GLN  10  17.179  -7.368   1.968
    9   HE21  GLN  10          HE21      GLN  10  16.557  -4.215   1.099
   10   HE22  GLN  10          HE22      GLN  10  17.707  -3.430   2.079
   11    H    LYS  11           HN       LYS  11  15.407  -2.575  -3.496
   12    HA   LYS  11           HA       LYS  11  15.651  -4.945  -2.773
   13    HB2  LYS  11           HB2      LYS  11  17.432  -4.171  -5.092
   14    HB3  LYS  11           HB1      LYS  11  16.867  -5.796  -4.720
   15    HG2  LYS  11           HG2      LYS  11  14.538  -5.076  -4.994
   16    HG3  LYS  11           HG1      LYS  11  15.069  -3.429  -5.290
   17    HD2  LYS  11           HD2      LYS  11  14.534  -4.528  -7.411
   18    HD3  LYS  11           HD1      LYS  11  16.251  -4.167  -7.330
   19    HE2  LYS  11           HE2      LYS  11  15.815  -6.425  -8.243
   20    HE3  LYS  11           HE1      LYS  11  16.738  -6.517  -6.756
   21    HZ1  LYS  11           HZ1      LYS  11  13.795  -6.641  -6.689
   22    HZ2  LYS  11           HZ2      LYS  11  14.916  -7.273  -5.578
   23    HZ3  LYS  11           HZ3      LYS  11  14.689  -8.026  -7.084
   24    H    PHE  12           HN       PHE  12  14.411  -1.045  -1.985
   25    HA   PHE  12           HA       PHE  12  16.984  -0.119  -3.098
   26    HB2  PHE  12           HB2      PHE  12  17.865  -0.126  -0.738
   27    HB3  PHE  12           HB1      PHE  12  16.699   1.146  -1.100
   28    HD1  PHE  12           HD1      PHE  12  16.803  -2.396   0.211
   29    HD2  PHE  12           HD2      PHE  12  14.846   1.416   0.282
   30    HE1  PHE  12           HE1      PHE  12  15.227  -3.221   1.894
   31    HE2  PHE  12           HE2      PHE  12  13.279   0.555   2.007
   32    HZ   PHE  12           HZ       PHE  12  13.444  -1.775   2.785
   33    H    ILE  13           HN       ILE  13  12.712   2.141  -4.748
   34    HA   ILE  13           HA       ILE  13  12.573   0.301  -2.433
   35    HB   ILE  13           HB       ILE  13  11.365  -0.417  -4.471
   36   HG12  ILE  13          HG12      ILE  13  13.882  -2.009  -3.928
   37   HG13  ILE  13          HG11      ILE  13  12.413  -2.094  -2.971
   38   HG21  ILE  13          HG21      ILE  13  14.123  -0.387  -5.758
   39   HG22  ILE  13          HG22      ILE  13  12.833   0.758  -6.119
   40   HG23  ILE  13          HG23      ILE  13  12.635  -0.944  -6.517
   41   HD11  ILE  13          HD11      ILE  13  11.167  -2.880  -4.952
   42   HD12  ILE  13          HD12      ILE  13  12.522  -3.949  -4.599
   43   HD13  ILE  13          HD13      ILE  13  12.639  -2.792  -5.919
   44    H    ARG  14           HN       ARG  14  11.151   5.667  -2.293
   45    HA   ARG  14           HA       ARG  14  10.471   4.034  -3.731
   46    HB2  ARG  14           HB2      ARG  14  13.255   4.165  -4.896
   47    HB3  ARG  14           HB1      ARG  14  11.862   3.387  -5.619
   48    HG2  ARG  14           HG2      ARG  14  12.122   6.351  -5.078
   49    HG3  ARG  14           HG1      ARG  14  12.306   5.586  -6.642
   50    HD2  ARG  14           HD2      ARG  14   9.764   5.674  -4.977
   51    HD3  ARG  14           HD1      ARG  14  10.078   6.549  -6.458
   52    HE   ARG  14           HE       ARG  14   9.186   3.860  -6.290
   53   HH11  ARG  14          HH21      ARG  14  11.263   5.995  -8.062
   54   HH12  ARG  14          HH22      ARG  14  11.241   5.036  -9.504
   55   HH21  ARG  14          HH11      ARG  14   9.155   2.608  -8.178
   56   HH22  ARG  14          HH12      ARG  14  10.050   3.123  -9.569
   57    H    VAL  15           HN       VAL  15  15.231   6.099  -1.011
   58    HA   VAL  15           HA       VAL  15  12.391   6.859  -0.937
   59    HB   VAL  15           HB       VAL  15  14.327   7.969  -2.992
   60   HG11  VAL  15          HG11      VAL  15  12.511   8.487  -4.267
   61   HG12  VAL  15          HG12      VAL  15  11.695   9.238  -2.901
   62   HG13  VAL  15          HG13      VAL  15  11.522   7.513  -3.182
   63   HG21  VAL  15          HG21      VAL  15  14.684   9.197  -0.981
   64   HG22  VAL  15          HG22      VAL  15  12.961   9.223  -0.599
   65   HG23  VAL  15          HG23      VAL  15  13.581  10.184  -1.939
   66    H8   4FU  16           HAM      4FU  16  15.288   4.786   1.839
   67    H9   4FU  16           HAI      4FU  16  16.690   4.660   3.854
   68    HAI  4FU  16           HAJ      4FU  16  17.629   5.189   2.439
   69   H112  4FU  16          HAE       4FU  16  18.167   6.557   4.426
   70   H111  4FU  16          HAF       4FU  16  16.453   7.019   4.561
   71    HAG  4FU  16           HAG      4FU  16  17.762   8.763   3.379
   72    H12  4FU  16           HAH      4FU  16  18.267   7.554   2.177
   73    HAL  4FU  16           HAL      4FU  16  16.385   8.876   1.333
   74    HAK  4FU  16           HAK      4FU  16  15.411   8.442   2.754
   75    H14  4FU  16           HAN      4FU  16  16.557   6.531   0.679
   76    H    GLY  17           HN       GLY  17  14.115   7.826   2.622
   77    HA2  GLY  17           HA2      GLY  17  13.018   7.263   5.217
   78    HA3  GLY  17           HA1      GLY  17  12.565   8.596   4.155
   79    H    VAL  18           HN       VAL  18  11.282   7.939   2.177
   80    HA   VAL  18           HA       VAL  18   9.105   6.183   2.999
   81    HB   VAL  18           HB       VAL  18   7.969   7.162   1.051
   82   HG11  VAL  18          HG11      VAL  18   9.355   9.233   2.770
   83   HG12  VAL  18          HG12      VAL  18   7.940   8.301   3.258
   84   HG13  VAL  18          HG13      VAL  18   7.823   9.448   1.923
   85   HG21  VAL  18          HG21      VAL  18   9.387   9.270   0.118
   86   HG22  VAL  18          HG22      VAL  18   9.464   7.690  -0.646
   87   HG23  VAL  18          HG23      VAL  18  10.727   8.183   0.480
   88    H    THR  19           HN       THR  19  10.381   4.225   2.816
   89    HA   THR  19           HA       THR  19  10.539   3.250   0.031
   90    HB   THR  19           HB       THR  19  12.651   2.144   0.522
   91    HG1  THR  19           HG1      THR  19  11.965   2.909   3.041
   92   HG21  THR  19          HG21      THR  19  12.432   4.627  -0.230
   93   HG22  THR  19          HG22      THR  19  14.006   4.043   0.303
   94   HG23  THR  19          HG23      THR  19  13.000   4.997   1.392
   95    H    ILE  20           HN       ILE  20  11.178   0.723   0.244
   96    HA   ILE  20           HA       ILE  20   9.562  -0.518   2.361
   97    HB   ILE  20           HB       ILE  20   8.008  -0.101   0.495
   98   HG12  ILE  20          HG12      ILE  20   8.778  -3.035   0.646
   99   HG13  ILE  20          HG11      ILE  20   7.761  -2.202   1.824
  100   HG21  ILE  20          HG21      ILE  20   9.816  -1.877  -1.158
  101   HG22  ILE  20          HG22      ILE  20   9.852  -0.116  -1.243
  102   HG23  ILE  20          HG23      ILE  20   8.390  -0.991  -1.700
  103   HD11  ILE  20          HD11      ILE  20   6.324  -3.338   0.236
  104   HD12  ILE  20          HD12      ILE  20   7.189  -2.618  -1.123
  105   HD13  ILE  20          HD13      ILE  20   6.211  -1.603  -0.065
  106    H    ARG  21           HN       ARG  21   9.788  -2.831   2.471
  107    HA   ARG  21           HA       ARG  21  12.577  -3.612   1.924
  108    HB2  ARG  21           HB2      ARG  21  11.408  -3.564   4.228
  109    HB3  ARG  21           HB1      ARG  21  10.468  -4.927   3.659
  110    HG2  ARG  21           HG2      ARG  21  13.454  -4.817   4.064
  111    HG3  ARG  21           HG1      ARG  21  12.301  -5.701   5.028
  112    HD2  ARG  21           HD2      ARG  21  13.454  -7.249   3.596
  113    HD3  ARG  21           HD1      ARG  21  11.785  -7.132   3.054
  114    HE   ARG  21           HE       ARG  21  12.644  -6.437   1.018
  115   HH11  ARG  21          HH21      ARG  21  14.932  -5.862   3.513
  116   HH12  ARG  21          HH22      ARG  21  15.994  -4.937   2.517
  117   HH21  ARG  21          HH11      ARG  21  14.000  -5.223  -0.314
  118   HH22  ARG  21          HH12      ARG  21  15.472  -4.576   0.331
  119    H    GLU  22           HN       GLU  22  12.656  -4.561  -0.069
  120    HA   GLU  22           HA       GLU  22  10.473  -6.209  -1.042
  121    HB2  GLU  22           HB2      GLU  22  11.635  -4.671  -2.571
  122    HB3  GLU  22           HB1      GLU  22  13.153  -5.515  -2.274
  123    HG2  GLU  22           HG2      GLU  22  12.120  -6.265  -4.384
  124    HG3  GLU  22           HG1      GLU  22  12.199  -7.586  -3.224
  125    H    LYS  23           HN       LYS  23  13.940  -6.675  -0.319
  126    HA   LYS  23           HA       LYS  23  15.154  -8.677  -0.403
  127    HB2  LYS  23           HB2      LYS  23  14.826  -7.947   1.864
  128    HB3  LYS  23           HB1      LYS  23  13.314  -8.843   1.970
  129    HG2  LYS  23           HG2      LYS  23  14.545 -10.944   1.518
  130    HG3  LYS  23           HG1      LYS  23  16.042 -10.028   1.433
  131    HD2  LYS  23           HD2      LYS  23  14.254 -10.190   3.870
  132    HD3  LYS  23           HD1      LYS  23  15.696 -11.168   3.633
  133    HE2  LYS  23           HE2      LYS  23  17.057  -9.087   3.526
  134    HE3  LYS  23           HE1      LYS  23  15.608  -8.139   3.845
  135    HZ1  LYS  23           HZ1      LYS  23  15.866 -10.247   5.700
  136    HZ2  LYS  23           HZ2      LYS  23  15.726  -8.577   5.972
  137    HZ3  LYS  23           HZ3      LYS  23  17.252  -9.271   5.701
  138    HN1  NH2  24           H1       NH2  24  14.391  -9.883  -2.304
  139    HN2  NH2  24           H2       NH2  24  13.309 -11.178  -2.123
  Start of MODEL    6
    1    HN1  NH2   9           H1       NH2   9  15.445  -7.649  -0.803
    2    HN2  NH2   9           H2       NH2   9  15.664  -9.316  -0.571
    3    H    GLN  10           HN       GLN  10  16.207  -5.714  -1.783
    4    HA   GLN  10           HA       GLN  10  18.759  -7.064  -2.032
    5    HB2  GLN  10           HB2      GLN  10  18.577  -5.140  -0.576
    6    HB3  GLN  10           HB1      GLN  10  17.200  -5.852   0.256
    7    HG2  GLN  10           HG2      GLN  10  19.887  -7.148   0.136
    8    HG3  GLN  10           HG1      GLN  10  19.425  -6.042   1.406
    9   HE21  GLN  10          HE21      GLN  10  16.540  -7.416   0.896
   10   HE22  GLN  10          HE22      GLN  10  16.655  -8.792   1.885
   11    H    LYS  11           HN       LYS  11  17.066  -3.729  -4.644
   12    HA   LYS  11           HA       LYS  11  14.967  -5.443  -3.534
   13    HB2  LYS  11           HB2      LYS  11  15.150  -7.035  -5.420
   14    HB3  LYS  11           HB1      LYS  11  14.437  -5.473  -5.809
   15    HG2  LYS  11           HG2      LYS  11  16.502  -4.710  -6.829
   16    HG3  LYS  11           HG1      LYS  11  17.334  -6.173  -6.341
   17    HD2  LYS  11           HD2      LYS  11  16.689  -6.243  -8.726
   18    HD3  LYS  11           HD1      LYS  11  15.916  -7.522  -7.803
   19    HE2  LYS  11           HE2      LYS  11  14.596  -4.894  -8.544
   20    HE3  LYS  11           HE1      LYS  11  14.362  -6.412  -9.407
   21    HZ1  LYS  11           HZ1      LYS  11  13.114  -5.504  -7.040
   22    HZ2  LYS  11           HZ2      LYS  11  13.947  -6.948  -6.718
   23    HZ3  LYS  11           HZ3      LYS  11  12.778  -6.894  -7.954
   24    H    PHE  12           HN       PHE  12  14.160  -0.934  -3.033
   25    HA   PHE  12           HA       PHE  12  15.910  -1.391  -5.357
   26    HB2  PHE  12           HB2      PHE  12  17.750  -1.958  -3.766
   27    HB3  PHE  12           HB1      PHE  12  17.282  -0.255  -3.684
   28    HD1  PHE  12           HD1      PHE  12  16.580  -3.588  -2.077
   29    HD2  PHE  12           HD2      PHE  12  16.561   0.677  -1.672
   30    HE1  PHE  12           HE1      PHE  12  15.827  -3.814   0.258
   31    HE2  PHE  12           HE2      PHE  12  15.829   0.454   0.683
   32    HZ   PHE  12           HZ       PHE  12  15.453  -1.781   1.631
   33    H    ILE  13           HN       ILE  13  13.777   3.221  -4.337
   34    HA   ILE  13           HA       ILE  13  13.041   0.797  -2.822
   35    HB   ILE  13           HB       ILE  13  11.677   0.113  -4.713
   36   HG12  ILE  13          HG12      ILE  13  12.906   1.224  -6.543
   37   HG13  ILE  13          HG11      ILE  13  11.199   1.624  -6.582
   38   HG21  ILE  13          HG21      ILE  13   9.900   1.799  -4.462
   39   HG22  ILE  13          HG22      ILE  13  11.067   2.932  -3.783
   40   HG23  ILE  13          HG23      ILE  13  10.670   1.450  -2.914
   41   HD11  ILE  13          HD11      ILE  13  12.145   3.705  -5.082
   42   HD12  ILE  13          HD12      ILE  13  11.973   3.747  -6.831
   43   HD13  ILE  13          HD13      ILE  13  13.538   3.378  -6.120
   44    H    ARG  14           HN       ARG  14  12.674   4.943  -1.069
   45    HA   ARG  14           HA       ARG  14  14.361   4.980  -3.314
   46    HB2  ARG  14           HB2      ARG  14  16.037   5.770  -1.725
   47    HB3  ARG  14           HB1      ARG  14  15.688   4.425  -0.652
   48    HG2  ARG  14           HG2      ARG  14  17.734   3.985  -1.921
   49    HG3  ARG  14           HG1      ARG  14  16.480   2.849  -2.384
   50    HD2  ARG  14           HD2      ARG  14  16.010   4.135  -4.409
   51    HD3  ARG  14           HD1      ARG  14  17.185   5.357  -3.930
   52    HE   ARG  14           HE       ARG  14  18.465   2.850  -4.004
   53   HH11  ARG  14          HH21      ARG  14  16.920   5.134  -6.094
   54   HH12  ARG  14          HH22      ARG  14  17.875   4.721  -7.478
   55   HH21  ARG  14          HH11      ARG  14  19.721   2.304  -5.814
   56   HH22  ARG  14          HH12      ARG  14  19.461   3.119  -7.320
   57    H    VAL  15           HN       VAL  15  13.816   8.564   0.445
   58    HA   VAL  15           HA       VAL  15  11.651   6.721  -0.427
   59    HB   VAL  15           HB       VAL  15  11.314   8.128  -2.405
   60   HG11  VAL  15          HG11      VAL  15   9.993   9.766  -1.345
   61   HG12  VAL  15          HG12      VAL  15  11.128   9.958  -0.011
   62   HG13  VAL  15          HG13      VAL  15  10.131   8.510  -0.116
   63   HG21  VAL  15          HG21      VAL  15  13.296   9.277  -2.867
   64   HG22  VAL  15          HG22      VAL  15  13.584   9.683  -1.176
   65   HG23  VAL  15          HG23      VAL  15  12.363  10.558  -2.099
   66    H8   4FU  16           HAM      4FU  16  12.705   9.477   4.698
   67    H9   4FU  16           HAI      4FU  16  10.984   9.735   2.206
   68    HAI  4FU  16           HAJ      4FU  16  10.758  10.637   3.723
   69   H112  4FU  16          HAE       4FU  16  13.000  11.627   3.490
   70   H111  4FU  16          HAF       4FU  16  11.989  11.986   2.071
   71    HAG  4FU  16           HAG      4FU  16  13.056  10.143   0.828
   72    H12  4FU  16           HAH      4FU  16  14.274  11.294   1.421
   73    HAL  4FU  16           HAL      4FU  16  14.746   9.841   3.338
   74    HAK  4FU  16           HAK      4FU  16  14.974   8.947   1.819
   75    H14  4FU  16           HAN      4FU  16  13.742   7.600   3.479
   76    H    GLY  17           HN       GLY  17   9.990   8.392   2.765
   77    HA2  GLY  17           HA2      GLY  17   9.259   6.458   4.908
   78    HA3  GLY  17           HA1      GLY  17   8.104   7.417   3.991
   79    H    VAL  18           HN       VAL  18   9.437   7.011   1.411
   80    HA   VAL  18           HA       VAL  18   8.329   4.370   0.847
   81    HB   VAL  18           HB       VAL  18   9.406   6.493  -1.022
   82   HG11  VAL  18          HG11      VAL  18   9.454   4.665  -2.436
   83   HG12  VAL  18          HG12      VAL  18   7.731   4.997  -2.549
   84   HG13  VAL  18          HG13      VAL  18   8.314   3.742  -1.457
   85   HG21  VAL  18          HG21      VAL  18   6.618   5.776  -0.078
   86   HG22  VAL  18          HG22      VAL  18   6.931   6.810  -1.473
   87   HG23  VAL  18          HG23      VAL  18   7.459   7.313   0.133
   88    H    THR  19           HN       THR  19  10.849   4.640   2.311
   89    HA   THR  19           HA       THR  19  12.614   3.106   0.483
   90    HB   THR  19           HB       THR  19  13.426   4.893   2.785
   91    HG1  THR  19           HG1      THR  19  14.037   6.286   1.271
   92   HG21  THR  19          HG21      THR  19  14.933   2.980   1.012
   93   HG22  THR  19          HG22      THR  19  15.032   3.186   2.761
   94   HG23  THR  19          HG23      THR  19  15.740   4.394   1.690
   95    H    ILE  20           HN       ILE  20  12.809   0.996   1.056
   96    HA   ILE  20           HA       ILE  20  13.193   0.229   3.791
   97    HB   ILE  20           HB       ILE  20  10.780   0.817   3.866
   98   HG12  ILE  20          HG12      ILE  20   9.914  -1.289   4.792
   99   HG13  ILE  20          HG11      ILE  20  11.241  -2.178   4.065
  100   HG21  ILE  20          HG21      ILE  20  10.418  -1.446   1.895
  101   HG22  ILE  20          HG22      ILE  20  10.387   0.261   1.451
  102   HG23  ILE  20          HG23      ILE  20   9.166  -0.388   2.545
  103   HD11  ILE  20          HD11      ILE  20  12.826  -1.262   5.549
  104   HD12  ILE  20          HD12      ILE  20  11.409  -1.439   6.578
  105   HD13  ILE  20          HD13      ILE  20  11.817   0.139   5.907
  106    H    ARG  21           HN       ARG  21  13.290  -2.109   4.125
  107    HA   ARG  21           HA       ARG  21  13.996  -3.576   1.666
  108    HB2  ARG  21           HB2      ARG  21  15.875  -3.297   3.225
  109    HB3  ARG  21           HB1      ARG  21  14.915  -4.006   4.514
  110    HG2  ARG  21           HG2      ARG  21  14.801  -6.131   3.334
  111    HG3  ARG  21           HG1      ARG  21  15.626  -5.435   1.937
  112    HD2  ARG  21           HD2      ARG  21  16.797  -5.594   4.724
  113    HD3  ARG  21           HD1      ARG  21  17.163  -6.724   3.421
  114    HE   ARG  21           HE       ARG  21  17.628  -4.187   2.387
  115   HH11  ARG  21          HH21      ARG  21  18.760  -6.172   4.997
  116   HH12  ARG  21          HH22      ARG  21  20.384  -5.573   4.936
  117   HH21  ARG  21          HH11      ARG  21  19.762  -3.398   2.307
  118   HH22  ARG  21          HH12      ARG  21  20.952  -4.002   3.413
  119    H    GLU  22           HN       GLU  22  13.042  -5.329   1.142
  120    HA   GLU  22           HA       GLU  22  11.837  -7.285   2.697
  121    HB2  GLU  22           HB2      GLU  22  10.141  -5.548   3.296
  122    HB3  GLU  22           HB1      GLU  22   9.838  -5.269   1.585
  123    HG2  GLU  22           HG2      GLU  22   8.136  -6.762   2.556
  124    HG3  GLU  22           HG1      GLU  22   9.083  -7.602   1.334
  125    H    LYS  23           HN       LYS  23  12.426  -5.480  -0.057
  126    HA   LYS  23           HA       LYS  23  11.310  -7.246  -2.028
  127    HB2  LYS  23           HB2      LYS  23  13.204  -4.899  -2.191
  128    HB3  LYS  23           HB1      LYS  23  12.656  -5.798  -3.606
  129    HG2  LYS  23           HG2      LYS  23  11.324  -3.762  -3.300
  130    HG3  LYS  23           HG1      LYS  23  10.316  -5.181  -3.070
  131    HD2  LYS  23           HD2      LYS  23  10.443  -4.914  -0.642
  132    HD3  LYS  23           HD1      LYS  23  11.541  -3.546  -0.821
  133    HE2  LYS  23           HE2      LYS  23   8.689  -3.699  -1.854
  134    HE3  LYS  23           HE1      LYS  23   9.207  -2.815  -0.419
  135    HZ1  LYS  23           HZ1      LYS  23   9.321  -1.151  -1.922
  136    HZ2  LYS  23           HZ2      LYS  23   9.601  -2.184  -3.241
  137    HZ3  LYS  23           HZ3      LYS  23  10.870  -1.788  -2.180
  138    HN1  NH2  24           H1       NH2  24  12.967  -8.764  -0.301
  139    HN2  NH2  24           H2       NH2  24  14.333  -9.269  -1.173
  Start of MODEL    7
    1    HN1  NH2   9           H1       NH2   9  16.713  -7.856  -2.989
    2    HN2  NH2   9           H2       NH2   9  17.515  -9.337  -3.200
    3    H    GLN  10           HN       GLN  10  16.521  -5.729  -1.870
    4    HA   GLN  10           HA       GLN  10  19.420  -6.087  -1.762
    5    HB2  GLN  10           HB2      GLN  10  19.076  -7.080   0.407
    6    HB3  GLN  10           HB1      GLN  10  18.107  -5.616   0.313
    7    HG2  GLN  10           HG2      GLN  10  17.092  -8.455  -0.027
    8    HG3  GLN  10           HG1      GLN  10  16.850  -7.434   1.379
    9   HE21  GLN  10          HE21      GLN  10  14.882  -6.375   1.418
   10   HE22  GLN  10          HE22      GLN  10  13.933  -6.028   0.057
   11    H    LYS  11           HN       LYS  11  15.866  -2.309  -4.011
   12    HA   LYS  11           HA       LYS  11  15.581  -4.716  -3.572
   13    HB2  LYS  11           HB2      LYS  11  17.407  -4.213  -5.934
   14    HB3  LYS  11           HB1      LYS  11  16.433  -5.650  -5.640
   15    HG2  LYS  11           HG2      LYS  11  14.382  -4.330  -5.705
   16    HG3  LYS  11           HG1      LYS  11  15.318  -2.858  -5.891
   17    HD2  LYS  11           HD2      LYS  11  14.397  -3.544  -8.052
   18    HD3  LYS  11           HD1      LYS  11  16.149  -3.650  -8.078
   19    HE2  LYS  11           HE2      LYS  11  14.288  -5.998  -7.618
   20    HE3  LYS  11           HE1      LYS  11  15.038  -5.603  -9.160
   21    HZ1  LYS  11           HZ1      LYS  11  16.702  -6.883  -8.482
   22    HZ2  LYS  11           HZ2      LYS  11  16.140  -6.927  -6.878
   23    HZ3  LYS  11           HZ3      LYS  11  17.115  -5.639  -7.405
   24    H    PHE  12           HN       PHE  12  15.405  -0.931  -3.045
   25    HA   PHE  12           HA       PHE  12  18.196  -0.338  -3.542
   26    HB2  PHE  12           HB2      PHE  12  18.846  -0.799  -1.177
   27    HB3  PHE  12           HB1      PHE  12  17.916   0.690  -1.372
   28    HD1  PHE  12           HD1      PHE  12  17.465  -2.978  -0.628
   29    HD2  PHE  12           HD2      PHE  12  15.947   1.006  -0.168
   30    HE1  PHE  12           HE1      PHE  12  15.633  -3.841   0.769
   31    HE2  PHE  12           HE2      PHE  12  14.131   0.133   1.256
   32    HZ   PHE  12           HZ       PHE  12  13.955  -2.276   1.732
   33    H    ILE  13           HN       ILE  13  14.635   3.452  -3.846
   34    HA   ILE  13           HA       ILE  13  13.843   0.665  -3.233
   35    HB   ILE  13           HB       ILE  13  14.821   1.965  -5.783
   36   HG12  ILE  13          HG12      ILE  13  12.125   0.788  -5.023
   37   HG13  ILE  13          HG11      ILE  13  12.495   2.508  -5.129
   38   HG21  ILE  13          HG21      ILE  13  15.551  -0.149  -6.294
   39   HG22  ILE  13          HG22      ILE  13  13.848  -0.568  -6.449
   40   HG23  ILE  13          HG23      ILE  13  14.696  -0.869  -4.937
   41   HD11  ILE  13          HD11      ILE  13  12.976   2.298  -7.515
   42   HD12  ILE  13          HD12      ILE  13  11.375   1.637  -7.186
   43   HD13  ILE  13          HD13      ILE  13  12.741   0.551  -7.437
   44    H    ARG  14           HN       ARG  14  11.804   4.762  -0.568
   45    HA   ARG  14           HA       ARG  14  13.478   5.049  -2.961
   46    HB2  ARG  14           HB2      ARG  14  14.219   4.544  -0.095
   47    HB3  ARG  14           HB1      ARG  14  15.363   4.696  -1.429
   48    HG2  ARG  14           HG2      ARG  14  14.509   6.958  -1.912
   49    HG3  ARG  14           HG1      ARG  14  13.364   6.812  -0.579
   50    HD2  ARG  14           HD2      ARG  14  16.377   6.658  -0.329
   51    HD3  ARG  14           HD1      ARG  14  15.391   8.052   0.102
   52    HE   ARG  14           HE       ARG  14  15.791   5.719   1.685
   53   HH11  ARG  14          HH21      ARG  14  13.478   8.110   0.756
   54   HH12  ARG  14          HH22      ARG  14  12.511   7.930   2.179
   55   HH21  ARG  14          HH11      ARG  14  14.531   5.484   3.570
   56   HH22  ARG  14          HH12      ARG  14  13.105   6.445   3.773
   57    H    VAL  15           HN       VAL  15   9.134   7.409  -2.871
   58    HA   VAL  15           HA       VAL  15   9.811   5.634  -0.582
   59    HB   VAL  15           HB       VAL  15   7.690   5.085  -1.700
   60   HG11  VAL  15          HG11      VAL  15   7.539   4.606  -4.017
   61   HG12  VAL  15          HG12      VAL  15   9.290   4.518  -4.201
   62   HG13  VAL  15          HG13      VAL  15   8.507   6.077  -3.937
   63   HG21  VAL  15          HG21      VAL  15   9.345   3.321  -0.854
   64   HG22  VAL  15          HG22      VAL  15   9.783   3.072  -2.544
   65   HG23  VAL  15          HG23      VAL  15   8.132   2.763  -2.004
   66    H8   4FU  16           HAM      4FU  16   8.245  11.345  -0.598
   67    H9   4FU  16           HAI      4FU  16   7.627   8.709   0.782
   68    HAI  4FU  16           HAJ      4FU  16   7.066  10.313   1.308
   69   H112  4FU  16          HAE       4FU  16   5.878  10.619  -0.827
   70   H111  4FU  16          HAF       4FU  16   5.324   9.151   0.011
   71    HAG  4FU  16           HAG      4FU  16   6.802   7.773  -1.407
   72    H12  4FU  16           HAH      4FU  16   5.692   8.746  -2.401
   73    HAL  4FU  16           HAL      4FU  16   7.454  10.421  -2.753
   74    HAK  4FU  16           HAK      4FU  16   8.007   8.819  -3.292
   75    H14  4FU  16           HAN      4FU  16   9.756   9.969  -1.988
   76    H    GLY  17           HN       GLY  17   9.005   9.031   1.865
   77    HA2  GLY  17           HA2      GLY  17  11.768   9.913   2.190
   78    HA3  GLY  17           HA1      GLY  17  10.645  10.485   3.420
   79    H    VAL  18           HN       VAL  18  10.349   7.370   1.823
   80    HA   VAL  18           HA       VAL  18  11.204   5.990   4.285
   81    HB   VAL  18           HB       VAL  18   9.356   4.431   3.889
   82   HG11  VAL  18          HG11      VAL  18   8.986   6.304   5.416
   83   HG12  VAL  18          HG12      VAL  18   7.509   5.982   4.509
   84   HG13  VAL  18          HG13      VAL  18   8.542   7.339   4.058
   85   HG21  VAL  18          HG21      VAL  18   7.575   5.105   2.265
   86   HG22  VAL  18          HG22      VAL  18   9.096   4.669   1.488
   87   HG23  VAL  18          HG23      VAL  18   8.656   6.367   1.677
   88    H    THR  19           HN       THR  19  11.842   3.759   3.926
   89    HA   THR  19           HA       THR  19  12.577   3.050   1.153
   90    HB   THR  19           HB       THR  19  14.561   4.136   2.172
   91    HG1  THR  19           HG1      THR  19  15.023   2.499   0.782
   92   HG21  THR  19          HG21      THR  19  15.554   3.399   4.170
   93   HG22  THR  19          HG22      THR  19  14.664   1.879   4.161
   94   HG23  THR  19          HG23      THR  19  13.834   3.385   4.551
   95    H    ILE  20           HN       ILE  20  11.830   1.037   0.762
   96    HA   ILE  20           HA       ILE  20  12.081  -1.044   2.750
   97    HB   ILE  20           HB       ILE  20   9.723  -1.652   2.665
   98   HG12  ILE  20          HG12      ILE  20   9.084  -0.618   0.549
   99   HG13  ILE  20          HG11      ILE  20   8.030  -0.068   1.844
  100   HG21  ILE  20          HG21      ILE  20   9.991   1.187   3.642
  101   HG22  ILE  20          HG22      ILE  20  10.679  -0.198   4.489
  102   HG23  ILE  20          HG23      ILE  20   8.935  -0.073   4.275
  103   HD11  ILE  20          HD11      ILE  20   9.838   1.907   1.978
  104   HD12  ILE  20          HD12      ILE  20   8.491   1.956   0.847
  105   HD13  ILE  20          HD13      ILE  20  10.081   1.445   0.292
  106    H    ARG  21           HN       ARG  21  11.185  -3.152   1.862
  107    HA   ARG  21           HA       ARG  21  10.883  -3.373  -0.968
  108    HB2  ARG  21           HB2      ARG  21  13.292  -3.042  -0.850
  109    HB3  ARG  21           HB1      ARG  21  13.424  -4.308   0.360
  110    HG2  ARG  21           HG2      ARG  21  14.111  -5.090  -1.859
  111    HG3  ARG  21           HG1      ARG  21  12.733  -5.985  -1.271
  112    HD2  ARG  21           HD2      ARG  21  12.512  -5.380  -3.664
  113    HD3  ARG  21           HD1      ARG  21  11.237  -4.650  -2.715
  114    HE   ARG  21           HE       ARG  21  13.392  -2.842  -2.880
  115   HH11  ARG  21          HH21      ARG  21  11.052  -4.433  -4.868
  116   HH12  ARG  21          HH22      ARG  21  10.845  -3.095  -5.948
  117   HH21  ARG  21          HH11      ARG  21  13.086  -1.057  -4.272
  118   HH22  ARG  21          HH12      ARG  21  12.000  -1.188  -5.614
  119    H    GLU  22           HN       GLU  22  10.759  -5.758  -1.597
  120    HA   GLU  22           HA       GLU  22   9.195  -7.147   0.411
  121    HB2  GLU  22           HB2      GLU  22   8.679  -8.707  -1.466
  122    HB3  GLU  22           HB1      GLU  22   8.332  -7.028  -1.885
  123    HG2  GLU  22           HG2      GLU  22  10.510  -6.867  -3.037
  124    HG3  GLU  22           HG1      GLU  22  10.851  -8.546  -2.635
  125    H    LYS  23           HN       LYS  23  11.827  -7.010   1.232
  126    HA   LYS  23           HA       LYS  23  13.687  -8.849   0.563
  127    HB2  LYS  23           HB2      LYS  23  14.341  -9.113   2.894
  128    HB3  LYS  23           HB1      LYS  23  14.018  -7.440   2.553
  129    HG2  LYS  23           HG2      LYS  23  12.131  -9.372   3.929
  130    HG3  LYS  23           HG1      LYS  23  13.107  -8.174   4.744
  131    HD2  LYS  23           HD2      LYS  23  10.813  -7.577   2.840
  132    HD3  LYS  23           HD1      LYS  23  10.744  -7.499   4.581
  133    HE2  LYS  23           HE2      LYS  23  11.006  -5.246   3.728
  134    HE3  LYS  23           HE1      LYS  23  12.483  -5.713   4.555
  135    HZ1  LYS  23           HZ1      LYS  23  12.552  -6.362   1.775
  136    HZ2  LYS  23           HZ2      LYS  23  13.653  -5.460   2.708
  137    HZ3  LYS  23           HZ3      LYS  23  12.289  -4.711   2.033
  138    HN1  NH2  24           H1       NH2  24  10.539  -9.655   1.945
  139    HN2  NH2  24           H2       NH2  24  10.770 -11.338   1.909
  Start of MODEL    8
    1    HN1  NH2   9           H1       NH2   9  17.944  -9.547  -0.357
    2    HN2  NH2   9           H2       NH2   9  18.252 -10.381  -1.804
    3    H    GLN  10           HN       GLN  10  15.665  -6.694  -2.332
    4    HA   GLN  10           HA       GLN  10  18.342  -6.637  -1.057
    5    HB2  GLN  10           HB2      GLN  10  15.877  -8.138  -0.131
    6    HB3  GLN  10           HB1      GLN  10  17.452  -8.129   0.660
    7    HG2  GLN  10           HG2      GLN  10  16.045  -6.565   1.832
    8    HG3  GLN  10           HG1      GLN  10  17.228  -5.640   0.919
    9   HE21  GLN  10          HE21      GLN  10  14.842  -6.948  -1.177
   10   HE22  GLN  10          HE22      GLN  10  13.857  -5.566  -1.289
   11    H    LYS  11           HN       LYS  11  15.273  -2.371  -3.277
   12    HA   LYS  11           HA       LYS  11  14.910  -4.627  -2.973
   13    HB2  LYS  11           HB2      LYS  11  15.771  -6.021  -4.808
   14    HB3  LYS  11           HB1      LYS  11  15.115  -4.485  -5.363
   15    HG2  LYS  11           HG2      LYS  11  17.329  -3.556  -5.637
   16    HG3  LYS  11           HG1      LYS  11  18.066  -4.965  -4.886
   17    HD2  LYS  11           HD2      LYS  11  18.335  -5.022  -7.323
   18    HD3  LYS  11           HD1      LYS  11  17.317  -6.349  -6.787
   19    HE2  LYS  11           HE2      LYS  11  16.280  -3.741  -7.940
   20    HE3  LYS  11           HE1      LYS  11  16.466  -5.235  -8.853
   21    HZ1  LYS  11           HZ1      LYS  11  15.042  -5.890  -6.582
   22    HZ2  LYS  11           HZ2      LYS  11  14.454  -5.786  -8.173
   23    HZ3  LYS  11           HZ3      LYS  11  14.362  -4.439  -7.141
   24    H    PHE  12           HN       PHE  12  15.270  -0.864  -2.568
   25    HA   PHE  12           HA       PHE  12  17.472  -0.448  -4.392
   26    HB2  PHE  12           HB2      PHE  12  19.147  -0.736  -2.509
   27    HB3  PHE  12           HB1      PHE  12  18.311   0.821  -2.563
   28    HD1  PHE  12           HD1      PHE  12  17.891  -2.639  -1.078
   29    HD2  PHE  12           HD2      PHE  12  17.214   1.581  -0.673
   30    HE1  PHE  12           HE1      PHE  12  16.782  -3.021   1.094
   31    HE2  PHE  12           HE2      PHE  12  16.144   1.188   1.511
   32    HZ   PHE  12           HZ       PHE  12  15.914  -1.096   2.400
   33    H    ILE  13           HN       ILE  13  14.473   3.374  -3.397
   34    HA   ILE  13           HA       ILE  13  13.923   0.867  -1.992
   35    HB   ILE  13           HB       ILE  13  13.193  -0.264  -4.010
   36   HG12  ILE  13          HG12      ILE  13  14.255   1.179  -5.694
   37   HG13  ILE  13          HG11      ILE  13  12.542   0.979  -6.021
   38   HG21  ILE  13          HG21      ILE  13  10.930   0.621  -4.081
   39   HG22  ILE  13          HG22      ILE  13  11.485   2.166  -3.440
   40   HG23  ILE  13          HG23      ILE  13  11.543   0.723  -2.430
   41   HD11  ILE  13          HD11      ILE  13  14.054   3.418  -5.261
   42   HD12  ILE  13          HD12      ILE  13  12.455   3.257  -4.533
   43   HD13  ILE  13          HD13      ILE  13  12.634   3.246  -6.281
   44    H    ARG  14           HN       ARG  14  11.482   5.432  -0.656
   45    HA   ARG  14           HA       ARG  14  13.471   5.224  -2.768
   46    HB2  ARG  14           HB2      ARG  14  13.716   5.138   0.229
   47    HB3  ARG  14           HB1      ARG  14  15.072   4.895  -0.858
   48    HG2  ARG  14           HG2      ARG  14  14.977   7.227  -0.080
   49    HG3  ARG  14           HG1      ARG  14  14.719   7.131  -1.814
   50    HD2  ARG  14           HD2      ARG  14  12.314   7.415  -1.504
   51    HD3  ARG  14           HD1      ARG  14  12.503   7.379   0.248
   52    HE   ARG  14           HE       ARG  14  13.037   9.610   0.092
   53   HH11  ARG  14          HH21      ARG  14  13.644   8.059  -2.942
   54   HH12  ARG  14          HH22      ARG  14  14.188   9.505  -3.724
   55   HH21  ARG  14          HH11      ARG  14  13.740  11.506  -0.931
   56   HH22  ARG  14          HH12      ARG  14  14.241  11.453  -2.589
   57    H    VAL  15           HN       VAL  15   9.401   7.826  -3.134
   58    HA   VAL  15           HA       VAL  15   9.328   5.593  -1.174
   59    HB   VAL  15           HB       VAL  15   8.588   4.198  -3.060
   60   HG11  VAL  15          HG11      VAL  15   6.860   6.674  -2.981
   61   HG12  VAL  15          HG12      VAL  15   7.016   5.615  -1.579
   62   HG13  VAL  15          HG13      VAL  15   6.354   4.989  -3.089
   63   HG21  VAL  15          HG21      VAL  15   9.132   6.730  -4.588
   64   HG22  VAL  15          HG22      VAL  15   7.757   5.755  -5.102
   65   HG23  VAL  15          HG23      VAL  15   9.369   5.053  -5.080
   66    H8   4FU  16           HAM      4FU  16   8.746  11.404  -0.220
   67    H9   4FU  16           HAI      4FU  16   7.602   8.732   0.671
   68    HAI  4FU  16           HAJ      4FU  16   7.300  10.305   1.443
   69   H112  4FU  16          HAE       4FU  16   6.304  11.162  -0.636
   70   H111  4FU  16          HAF       4FU  16   5.461   9.697  -0.078
   71    HAG  4FU  16           HAG      4FU  16   6.763   8.332  -1.668
   72    H12  4FU  16           HAH      4FU  16   5.889   9.632  -2.512
   73    HAL  4FU  16           HAL      4FU  16   7.929  11.007  -2.522
   74    HAK  4FU  16           HAK      4FU  16   8.227   9.446  -3.318
   75    H14  4FU  16           HAN      4FU  16  10.072  10.033  -1.789
   76    H    GLY  17           HN       GLY  17   8.985   8.547   1.755
   77    HA2  GLY  17           HA2      GLY  17  11.817   8.937   2.354
   78    HA3  GLY  17           HA1      GLY  17  10.700   9.384   3.640
   79    H    VAL  18           HN       VAL  18  10.345   6.709   1.336
   80    HA   VAL  18           HA       VAL  18  10.395   4.816   3.627
   81    HB   VAL  18           HB       VAL  18   9.077   4.542   0.912
   82   HG11  VAL  18          HG11      VAL  18   9.741   2.370   1.705
   83   HG12  VAL  18          HG12      VAL  18   8.021   2.538   2.054
   84   HG13  VAL  18          HG13      VAL  18   9.206   2.741   3.343
   85   HG21  VAL  18          HG21      VAL  18   7.780   4.788   3.636
   86   HG22  VAL  18          HG22      VAL  18   7.002   4.880   2.056
   87   HG23  VAL  18          HG23      VAL  18   8.065   6.181   2.592
   88    H    THR  19           HN       THR  19  12.287   3.812   3.767
   89    HA   THR  19           HA       THR  19  13.724   3.018   1.282
   90    HB   THR  19           HB       THR  19  15.763   3.095   2.681
   91    HG1  THR  19           HG1      THR  19  15.642   3.637   4.787
   92   HG21  THR  19          HG21      THR  19  14.003   5.523   2.506
   93   HG22  THR  19          HG22      THR  19  15.518   5.178   1.667
   94   HG23  THR  19          HG23      THR  19  15.535   5.625   3.370
   95    H    ILE  20           HN       ILE  20  12.542   1.000   1.159
   96    HA   ILE  20           HA       ILE  20  13.668  -1.276   2.067
   97    HB   ILE  20           HB       ILE  20  13.202  -0.596   4.360
   98   HG12  ILE  20          HG12      ILE  20  13.086  -3.002   3.851
   99   HG13  ILE  20          HG11      ILE  20  12.091  -2.542   5.217
  100   HG21  ILE  20          HG21      ILE  20  10.265  -0.662   3.703
  101   HG22  ILE  20          HG22      ILE  20  11.215   0.821   3.739
  102   HG23  ILE  20          HG23      ILE  20  11.027  -0.141   5.204
  103   HD11  ILE  20          HD11      ILE  20  11.302  -3.653   2.582
  104   HD12  ILE  20          HD12      ILE  20  10.239  -2.401   3.225
  105   HD13  ILE  20          HD13      ILE  20  10.556  -3.853   4.158
  106    H    ARG  21           HN       ARG  21  12.922  -2.803   0.769
  107    HA   ARG  21           HA       ARG  21  10.146  -3.292   0.460
  108    HB2  ARG  21           HB2      ARG  21   9.971  -3.036  -1.983
  109    HB3  ARG  21           HB1      ARG  21  10.139  -1.513  -1.145
  110    HG2  ARG  21           HG2      ARG  21  11.404  -1.502  -3.194
  111    HG3  ARG  21           HG1      ARG  21  12.518  -1.471  -1.831
  112    HD2  ARG  21           HD2      ARG  21  13.004  -3.786  -2.076
  113    HD3  ARG  21           HD1      ARG  21  11.710  -4.013  -3.242
  114    HE   ARG  21           HE       ARG  21  14.316  -3.112  -3.733
  115   HH11  ARG  21          HH21      ARG  21  11.037  -2.708  -4.678
  116   HH12  ARG  21          HH22      ARG  21  11.418  -2.087  -6.249
  117   HH21  ARG  21          HH11      ARG  21  14.848  -2.306  -5.794
  118   HH22  ARG  21          HH12      ARG  21  13.576  -1.859  -6.880
  119    H    GLU  22           HN       GLU  22   9.836  -5.066  -1.323
  120    HA   GLU  22           HA       GLU  22  10.143  -7.406  -1.248
  121    HB2  GLU  22           HB2      GLU  22  12.272  -6.269  -3.078
  122    HB3  GLU  22           HB1      GLU  22  11.698  -7.935  -3.118
  123    HG2  GLU  22           HG2      GLU  22   9.973  -5.474  -3.557
  124    HG3  GLU  22           HG1      GLU  22  10.552  -6.553  -4.822
  125    H    LYS  23           HN       LYS  23  11.298  -6.595   1.109
  126    HA   LYS  23           HA       LYS  23  14.016  -7.559   1.228
  127    HB2  LYS  23           HB2      LYS  23  13.782  -7.127   3.683
  128    HB3  LYS  23           HB1      LYS  23  13.510  -5.744   2.651
  129    HG2  LYS  23           HG2      LYS  23  11.846  -5.794   4.447
  130    HG3  LYS  23           HG1      LYS  23  11.079  -5.990   2.888
  131    HD2  LYS  23           HD2      LYS  23  10.081  -7.453   4.586
  132    HD3  LYS  23           HD1      LYS  23  10.805  -8.406   3.318
  133    HE2  LYS  23           HE2      LYS  23  12.794  -8.788   4.766
  134    HE3  LYS  23           HE1      LYS  23  12.052  -7.799   6.019
  135    HZ1  LYS  23           HZ1      LYS  23  11.436  -9.899   6.640
  136    HZ2  LYS  23           HZ2      LYS  23  11.301 -10.466   5.044
  137    HZ3  LYS  23           HZ3      LYS  23  10.100  -9.455   5.694
  138    HN1  NH2  24           H1       NH2  24  11.149  -9.240   1.032
  139    HN2  NH2  24           H2       NH2  24  11.647 -10.660   1.818
  Start of MODEL    9
    1    HN1  NH2   9           H1       NH2   9  16.591  -8.580  -1.315
    2    HN2  NH2   9           H2       NH2   9  17.835  -9.691  -0.999
    3    H    GLN  10           HN       GLN  10  15.802  -6.222  -1.238
    4    HA   GLN  10           HA       GLN  10  18.125  -5.859   0.425
    5    HB2  GLN  10           HB2      GLN  10  15.837  -5.663   1.245
    6    HB3  GLN  10           HB1      GLN  10  15.504  -7.317   0.765
    7    HG2  GLN  10           HG2      GLN  10  15.940  -7.230   3.125
    8    HG3  GLN  10           HG1      GLN  10  17.227  -8.100   2.324
    9   HE21  GLN  10          HE21      GLN  10  17.544  -4.760   1.728
   10   HE22  GLN  10          HE22      GLN  10  18.675  -4.410   2.944
   11    H    LYS  11           HN       LYS  11  17.702  -3.229  -4.055
   12    HA   LYS  11           HA       LYS  11  15.778  -5.257  -3.211
   13    HB2  LYS  11           HB2      LYS  11  17.222  -6.833  -4.369
   14    HB3  LYS  11           HB1      LYS  11  16.740  -5.513  -5.427
   15    HG2  LYS  11           HG2      LYS  11  18.939  -4.398  -4.902
   16    HG3  LYS  11           HG1      LYS  11  19.407  -5.837  -4.015
   17    HD2  LYS  11           HD2      LYS  11  18.753  -5.715  -6.971
   18    HD3  LYS  11           HD1      LYS  11  20.360  -5.852  -6.277
   19    HE2  LYS  11           HE2      LYS  11  19.641  -8.042  -7.040
   20    HE3  LYS  11           HE1      LYS  11  19.699  -8.049  -5.281
   21    HZ1  LYS  11           HZ1      LYS  11  17.553  -8.690  -6.903
   22    HZ2  LYS  11           HZ2      LYS  11  17.151  -7.214  -6.165
   23    HZ3  LYS  11           HZ3      LYS  11  17.564  -8.559  -5.212
   24    H    PHE  12           HN       PHE  12  14.439  -0.557  -2.491
   25    HA   PHE  12           HA       PHE  12  16.814  -1.115  -4.203
   26    HB2  PHE  12           HB2      PHE  12  18.151  -1.013  -2.164
   27    HB3  PHE  12           HB1      PHE  12  17.223   0.481  -2.321
   28    HD1  PHE  12           HD1      PHE  12  17.191  -2.883  -0.711
   29    HD2  PHE  12           HD2      PHE  12  15.678   1.131  -0.648
   30    HE1  PHE  12           HE1      PHE  12  15.989  -3.366   1.390
   31    HE2  PHE  12           HE2      PHE  12  14.487   0.612   1.473
   32    HZ   PHE  12           HZ       PHE  12  14.605  -1.603   2.460
   33    H    ILE  13           HN       ILE  13  13.787   2.832  -4.536
   34    HA   ILE  13           HA       ILE  13  12.610   0.287  -3.565
   35    HB   ILE  13           HB       ILE  13  13.141   1.272  -6.391
   36   HG12  ILE  13          HG12      ILE  13  10.542   0.958  -4.845
   37   HG13  ILE  13          HG11      ILE  13  11.327   2.494  -5.208
   38   HG21  ILE  13          HG21      ILE  13  13.225  -1.217  -6.130
   39   HG22  ILE  13          HG22      ILE  13  11.846  -0.695  -7.091
   40   HG23  ILE  13          HG23      ILE  13  11.616  -1.169  -5.410
   41   HD11  ILE  13          HD11      ILE  13  11.113   2.013  -7.636
   42   HD12  ILE  13          HD12      ILE  13   9.542   2.050  -6.838
   43   HD13  ILE  13          HD13      ILE  13  10.283   0.505  -7.253
   44    H    ARG  14           HN       ARG  14  12.360   5.071  -0.779
   45    HA   ARG  14           HA       ARG  14  13.309   4.655  -3.412
   46    HB2  ARG  14           HB2      ARG  14  14.727   5.436  -1.566
   47    HB3  ARG  14           HB1      ARG  14  14.545   3.881  -0.765
   48    HG2  ARG  14           HG2      ARG  14  15.618   2.753  -2.664
   49    HG3  ARG  14           HG1      ARG  14  15.776   4.302  -3.498
   50    HD2  ARG  14           HD2      ARG  14  17.873   3.754  -2.363
   51    HD3  ARG  14           HD1      ARG  14  17.118   5.160  -1.615
   52    HE   ARG  14           HE       ARG  14  16.258   2.855  -0.246
   53   HH11  ARG  14          HH21      ARG  14  19.092   4.751  -0.835
   54   HH12  ARG  14          HH22      ARG  14  19.840   4.354   0.675
   55   HH21  ARG  14          HH11      ARG  14  17.231   2.333   1.739
   56   HH22  ARG  14          HH12      ARG  14  18.787   2.984   2.133
   57    H    VAL  15           HN       VAL  15   9.674   7.201  -2.451
   58    HA   VAL  15           HA       VAL  15  10.129   5.246  -0.257
   59    HB   VAL  15           HB       VAL  15   8.263   4.961  -2.623
   60   HG11  VAL  15          HG11      VAL  15   9.227   2.824  -2.120
   61   HG12  VAL  15          HG12      VAL  15   7.637   2.841  -1.358
   62   HG13  VAL  15          HG13      VAL  15   9.085   3.096  -0.384
   63   HG21  VAL  15          HG21      VAL  15   6.472   5.157  -1.081
   64   HG22  VAL  15          HG22      VAL  15   7.576   6.447  -0.612
   65   HG23  VAL  15          HG23      VAL  15   7.532   4.947   0.312
   66    H8   4FU  16           HAM      4FU  16  11.860   9.633  -0.774
   67    H9   4FU  16           HAI      4FU  16  11.637  12.052  -0.386
   68    HAI  4FU  16           HAJ      4FU  16  10.818  11.561  -1.887
   69   H112  4FU  16          HAE       4FU  16   9.410  13.111  -0.578
   70   H111  4FU  16          HAF       4FU  16   9.472  11.991   0.804
   71    HAG  4FU  16           HAG      4FU  16   7.386  11.688  -0.498
   72    H12  4FU  16           HAH      4FU  16   8.353  11.371  -1.956
   73    HAL  4FU  16           HAL      4FU  16   7.615   9.269  -0.938
   74    HAK  4FU  16           HAK      4FU  16   8.365   9.716   0.606
   75    H14  4FU  16           HAN      4FU  16   9.786   9.316  -2.054
   76    H    GLY  17           HN       GLY  17  12.879   9.535   1.142
   77    HA2  GLY  17           HA2      GLY  17  13.183   9.989   3.456
   78    HA3  GLY  17           HA1      GLY  17  11.438  10.092   3.661
   79    H    VAL  18           HN       VAL  18  10.265   7.963   3.128
   80    HA   VAL  18           HA       VAL  18  11.505   5.857   4.694
   81    HB   VAL  18           HB       VAL  18   9.282   4.831   4.528
   82   HG11  VAL  18          HG11      VAL  18   9.291   7.780   5.203
   83   HG12  VAL  18          HG12      VAL  18   9.638   6.449   6.307
   84   HG13  VAL  18          HG13      VAL  18   8.008   6.661   5.666
   85   HG21  VAL  18          HG21      VAL  18   7.463   6.111   3.388
   86   HG22  VAL  18          HG22      VAL  18   8.681   5.510   2.265
   87   HG23  VAL  18          HG23      VAL  18   8.687   7.206   2.745
   88    H    THR  19           HN       THR  19  11.114   3.547   3.815
   89    HA   THR  19           HA       THR  19  11.059   3.224   0.972
   90    HB   THR  19           HB       THR  19  13.304   4.114   1.188
   91    HG1  THR  19           HG1      THR  19  12.663   1.679   0.259
   92   HG21  THR  19          HG21      THR  19  13.629   1.895   3.214
   93   HG22  THR  19          HG22      THR  19  13.905   3.622   3.431
   94   HG23  THR  19          HG23      THR  19  15.006   2.674   2.435
   95    H    ILE  20           HN       ILE  20  11.822   0.758   0.461
   96    HA   ILE  20           HA       ILE  20  10.854  -0.948   2.684
   97    HB   ILE  20           HB       ILE  20   9.940  -1.077  -0.197
   98   HG12  ILE  20          HG12      ILE  20   8.879   0.768   1.059
   99   HG13  ILE  20          HG11      ILE  20   7.720  -0.497   0.677
  100   HG21  ILE  20          HG21      ILE  20   8.315  -2.798   0.859
  101   HG22  ILE  20          HG22      ILE  20   9.484  -2.874   2.176
  102   HG23  ILE  20          HG23      ILE  20   9.972  -3.301   0.538
  103   HD11  ILE  20          HD11      ILE  20   7.161  -0.398   2.866
  104   HD12  ILE  20          HD12      ILE  20   8.625   0.469   3.297
  105   HD13  ILE  20          HD13      ILE  20   8.646  -1.286   3.178
  106    H    ARG  21           HN       ARG  21  11.392  -3.121   2.680
  107    HA   ARG  21           HA       ARG  21  13.784  -3.779   1.089
  108    HB2  ARG  21           HB2      ARG  21  14.386  -5.332   2.921
  109    HB3  ARG  21           HB1      ARG  21  14.285  -3.671   3.458
  110    HG2  ARG  21           HG2      ARG  21  13.276  -5.132   5.119
  111    HG3  ARG  21           HG1      ARG  21  12.016  -4.153   4.380
  112    HD2  ARG  21           HD2      ARG  21  11.392  -6.545   4.657
  113    HD3  ARG  21           HD1      ARG  21  11.298  -6.034   2.999
  114    HE   ARG  21           HE       ARG  21  13.021  -7.568   2.519
  115   HH11  ARG  21          HH21      ARG  21  12.945  -6.729   5.890
  116   HH12  ARG  21          HH22      ARG  21  14.154  -7.880   6.348
  117   HH21  ARG  21          HH11      ARG  21  14.581  -9.113   3.141
  118   HH22  ARG  21          HH12      ARG  21  15.073  -9.231   4.797
  119    H    GLU  22           HN       GLU  22  14.073  -6.350   1.159
  120    HA   GLU  22           HA       GLU  22  13.402  -8.387   0.316
  121    HB2  GLU  22           HB2      GLU  22  11.466  -8.260   1.934
  122    HB3  GLU  22           HB1      GLU  22  10.540  -7.417   0.710
  123    HG2  GLU  22           HG2      GLU  22  11.676 -10.206   0.401
  124    HG3  GLU  22           HG1      GLU  22  10.008  -9.837   0.812
  125    H    LYS  23           HN       LYS  23  11.843  -5.475  -0.780
  126    HA   LYS  23           HA       LYS  23  10.710  -5.198  -2.874
  127    HB2  LYS  23           HB2      LYS  23  12.605  -3.723  -2.230
  128    HB3  LYS  23           HB1      LYS  23  13.660  -4.747  -3.155
  129    HG2  LYS  23           HG2      LYS  23  11.327  -3.192  -4.253
  130    HG3  LYS  23           HG1      LYS  23  12.998  -2.705  -4.370
  131    HD2  LYS  23           HD2      LYS  23  11.728  -5.098  -5.758
  132    HD3  LYS  23           HD1      LYS  23  12.221  -3.602  -6.497
  133    HE2  LYS  23           HE2      LYS  23  14.136  -5.551  -5.180
  134    HE3  LYS  23           HE1      LYS  23  13.892  -5.362  -6.904
  135    HZ1  LYS  23           HZ1      LYS  23  15.676  -4.009  -6.530
  136    HZ2  LYS  23           HZ2      LYS  23  15.142  -3.516  -4.994
  137    HZ3  LYS  23           HZ3      LYS  23  14.404  -2.896  -6.394
  138    HN1  NH2  24           H1       NH2  24   9.932  -6.592  -4.433
  139    HN2  NH2  24           H2       NH2  24  10.873  -7.714  -5.292
  Start of MODEL   10
    1    HN1  NH2   9           H1       NH2   9  21.269  -6.747   1.052
    2    HN2  NH2   9           H2       NH2   9  20.929  -8.232   0.302
    3    H    GLN  10           HN       GLN  10  18.322  -5.322  -1.784
    4    HA   GLN  10           HA       GLN  10  20.354  -4.707  -0.037
    5    HB2  GLN  10           HB2      GLN  10  19.410  -5.571   2.150
    6    HB3  GLN  10           HB1      GLN  10  18.837  -3.981   1.674
    7    HG2  GLN  10           HG2      GLN  10  16.975  -5.372   2.469
    8    HG3  GLN  10           HG1      GLN  10  16.789  -4.989   0.772
    9   HE21  GLN  10          HE21      GLN  10  16.046  -6.820  -0.396
   10   HE22  GLN  10          HE22      GLN  10  16.503  -8.417  -0.050
   11    H    LYS  11           HN       LYS  11  17.339  -1.156  -1.564
   12    HA   LYS  11           HA       LYS  11  16.115  -3.623  -1.981
   13    HB2  LYS  11           HB2      LYS  11  17.752  -4.819  -3.347
   14    HB3  LYS  11           HB1      LYS  11  17.052  -3.499  -4.269
   15    HG2  LYS  11           HG2      LYS  11  19.011  -2.097  -3.798
   16    HG3  LYS  11           HG1      LYS  11  19.724  -3.393  -2.835
   17    HD2  LYS  11           HD2      LYS  11  19.694  -4.873  -4.802
   18    HD3  LYS  11           HD1      LYS  11  19.020  -3.561  -5.769
   19    HE2  LYS  11           HE2      LYS  11  21.011  -2.195  -5.339
   20    HE3  LYS  11           HE1      LYS  11  21.685  -3.479  -4.330
   21    HZ1  LYS  11           HZ1      LYS  11  22.631  -3.886  -6.371
   22    HZ2  LYS  11           HZ2      LYS  11  21.233  -3.451  -7.235
   23    HZ3  LYS  11           HZ3      LYS  11  21.288  -4.923  -6.385
   24    H    PHE  12           HN       PHE  12  14.026   0.898  -2.500
   25    HA   PHE  12           HA       PHE  12  16.617   0.816  -3.793
   26    HB2  PHE  12           HB2      PHE  12  17.439   0.533  -1.482
   27    HB3  PHE  12           HB1      PHE  12  16.350   1.901  -1.620
   28    HD1  PHE  12           HD2      PHE  12  14.091  -0.800  -1.851
   29    HD2  PHE  12           HD1      PHE  12  16.694   1.103   1.019
   30    HE1  PHE  12           HE2      PHE  12  12.717  -1.623  -0.064
   31    HE2  PHE  12           HE1      PHE  12  15.248   0.225   2.834
   32    HZ   PHE  12           HZ       PHE  12  13.233  -1.120   2.275
   33    H    ILE  13           HN       ILE  13  12.559   3.057  -5.359
   34    HA   ILE  13           HA       ILE  13  12.130   0.736  -3.587
   35    HB   ILE  13           HB       ILE  13  10.808   0.637  -5.640
   36   HG12  ILE  13          HG12      ILE  13  11.602  -1.557  -6.463
   37   HG13  ILE  13          HG11      ILE  13  13.151  -1.304  -5.672
   38   HG21  ILE  13          HG21      ILE  13  12.731   1.993  -6.927
   39   HG22  ILE  13          HG22      ILE  13  11.654   0.905  -7.791
   40   HG23  ILE  13          HG23      ILE  13  13.272   0.371  -7.349
   41   HD11  ILE  13          HD11      ILE  13  11.265  -2.707  -4.472
   42   HD12  ILE  13          HD12      ILE  13  10.634  -1.120  -4.033
   43   HD13  ILE  13          HD13      ILE  13  12.260  -1.593  -3.537
   44    H    ARG  14           HN       ARG  14  11.169   5.904  -2.041
   45    HA   ARG  14           HA       ARG  14  10.506   4.869  -3.961
   46    HB2  ARG  14           HB2      ARG  14  13.397   4.985  -4.838
   47    HB3  ARG  14           HB1      ARG  14  12.016   4.622  -5.847
   48    HG2  ARG  14           HG2      ARG  14  12.508   7.264  -4.460
   49    HG3  ARG  14           HG1      ARG  14  12.775   6.944  -6.161
   50    HD2  ARG  14           HD2      ARG  14  10.094   6.859  -4.736
   51    HD3  ARG  14           HD1      ARG  14  10.648   8.091  -5.848
   52    HE   ARG  14           HE       ARG  14  10.824   5.632  -7.177
   53   HH11  ARG  14          HH21      ARG  14   8.473   7.761  -5.797
   54   HH12  ARG  14          HH22      ARG  14   7.216   7.314  -6.901
   55   HH21  ARG  14          HH11      ARG  14   9.181   5.039  -8.630
   56   HH22  ARG  14          HH12      ARG  14   7.617   5.772  -8.504
   57    H    VAL  15           HN       VAL  15  15.392   6.244  -1.024
   58    HA   VAL  15           HA       VAL  15  12.719   6.170  -0.109
   59    HB   VAL  15           HB       VAL  15  12.877   8.611  -0.209
   60   HG11  VAL  15          HG11      VAL  15  14.490   9.260  -1.730
   61   HG12  VAL  15          HG12      VAL  15  13.056   9.507  -2.722
   62   HG13  VAL  15          HG13      VAL  15  14.026   8.051  -2.920
   63   HG21  VAL  15          HG21      VAL  15  11.249   7.817  -2.614
   64   HG22  VAL  15          HG22      VAL  15  10.875   8.994  -1.363
   65   HG23  VAL  15          HG23      VAL  15  10.793   7.273  -1.000
   66    H8   4FU  16           HAM      4FU  16  16.556   5.214   1.703
   67    H9   4FU  16           HAI      4FU  16  18.495   5.474   3.202
   68    HAI  4FU  16           HAJ      4FU  16  18.881   5.969   1.539
   69   H112  4FU  16          HAE       4FU  16  19.787   7.592   3.137
   70   H111  4FU  16          HAF       4FU  16  18.170   7.831   3.835
   71    HAG  4FU  16           HAG      4FU  16  18.701   9.624   2.224
   72    H12  4FU  16           HAH      4FU  16  18.998   8.403   0.965
   73    HAL  4FU  16           HAL      4FU  16  16.739   9.370   0.760
   74    HAK  4FU  16           HAK      4FU  16  16.358   8.858   2.420
   75    H14  4FU  16           HAN      4FU  16  17.124   7.017   0.122
   76    H    GLY  17           HN       GLY  17  14.314   6.155   2.336
   77    HA2  GLY  17           HA2      GLY  17  14.214   6.270   5.243
   78    HA3  GLY  17           HA1      GLY  17  13.596   7.703   4.418
   79    H    VAL  18           HN       VAL  18  12.072   7.117   2.502
   80    HA   VAL  18           HA       VAL  18  10.065   5.201   3.530
   81    HB   VAL  18           HB       VAL  18   9.820   7.372   1.427
   82   HG11  VAL  18          HG11      VAL  18   7.340   6.912   1.854
   83   HG12  VAL  18          HG12      VAL  18   7.855   5.433   2.666
   84   HG13  VAL  18          HG13      VAL  18   8.212   5.670   0.955
   85   HG21  VAL  18          HG21      VAL  18  10.172   8.205   3.755
   86   HG22  VAL  18          HG22      VAL  18   8.781   7.256   4.277
   87   HG23  VAL  18          HG23      VAL  18   8.564   8.586   3.141
   88    H    THR  19           HN       THR  19  10.947   3.282   2.798
   89    HA   THR  19           HA       THR  19  10.881   2.869  -0.134
   90    HB   THR  19           HB       THR  19  12.861   1.436   0.064
   91    HG1  THR  19           HG1      THR  19  13.492   2.410   2.560
   92   HG21  THR  19          HG21      THR  19  14.522   3.236   0.575
   93   HG22  THR  19          HG22      THR  19  13.195   4.233   1.171
   94   HG23  THR  19          HG23      THR  19  13.246   3.753  -0.525
   95    H    ILE  20           HN       ILE  20  10.742   0.517  -0.682
   96    HA   ILE  20           HA       ILE  20   9.630  -1.202   1.391
   97    HB   ILE  20           HB       ILE  20   7.633  -1.697   0.090
   98   HG12  ILE  20          HG12      ILE  20   8.424  -1.086  -2.149
   99   HG13  ILE  20          HG11      ILE  20   6.925  -0.252  -1.767
  100   HG21  ILE  20          HG21      ILE  20   7.635   0.027   1.899
  101   HG22  ILE  20          HG22      ILE  20   6.373   0.266   0.691
  102   HG23  ILE  20          HG23      ILE  20   7.829   1.260   0.652
  103   HD11  ILE  20          HD11      ILE  20   9.673   0.850  -2.119
  104   HD12  ILE  20          HD12      ILE  20   8.643   1.640  -0.926
  105   HD13  ILE  20          HD13      ILE  20   8.123   1.524  -2.601
  106    H    ARG  21           HN       ARG  21   9.555  -3.425   0.816
  107    HA   ARG  21           HA       ARG  21  10.172  -4.438  -1.727
  108    HB2  ARG  21           HB2      ARG  21  12.396  -5.235  -1.409
  109    HB3  ARG  21           HB1      ARG  21  12.383  -3.485  -1.434
  110    HG2  ARG  21           HG2      ARG  21  12.409  -3.494   1.056
  111    HG3  ARG  21           HG1      ARG  21  12.491  -5.234   1.037
  112    HD2  ARG  21           HD2      ARG  21  14.567  -3.411  -0.183
  113    HD3  ARG  21           HD1      ARG  21  14.706  -4.199   1.379
  114    HE   ARG  21           HE       ARG  21  15.310  -6.133   0.286
  115   HH11  ARG  21          HH21      ARG  21  13.995  -3.959  -2.093
  116   HH12  ARG  21          HH22      ARG  21  14.168  -5.091  -3.392
  117   HH21  ARG  21          HH11      ARG  21  15.536  -7.577  -1.413
  118   HH22  ARG  21          HH12      ARG  21  15.039  -7.125  -3.009
  119    H    GLU  22           HN       GLU  22  11.542  -6.716  -1.296
  120    HA   GLU  22           HA       GLU  22   9.711  -8.211   0.463
  121    HB2  GLU  22           HB2      GLU  22  11.679  -9.198  -1.617
  122    HB3  GLU  22           HB1      GLU  22  10.512 -10.195  -0.755
  123    HG2  GLU  22           HG2      GLU  22   9.826  -7.916  -2.640
  124    HG3  GLU  22           HG1      GLU  22   9.736  -9.625  -3.040
  125    H    LYS  23           HN       LYS  23  12.714  -6.831   0.509
  126    HA   LYS  23           HA       LYS  23  14.728  -7.308   1.570
  127    HB2  LYS  23           HB2      LYS  23  14.441  -7.201   3.951
  128    HB3  LYS  23           HB1      LYS  23  13.445  -6.003   3.135
  129    HG2  LYS  23           HG2      LYS  23  11.491  -7.536   3.332
  130    HG3  LYS  23           HG1      LYS  23  12.497  -8.673   4.226
  131    HD2  LYS  23           HD2      LYS  23  11.874  -5.825   5.057
  132    HD3  LYS  23           HD1      LYS  23  11.137  -7.270   5.739
  133    HE2  LYS  23           HE2      LYS  23  13.378  -8.028   6.503
  134    HE3  LYS  23           HE1      LYS  23  14.076  -6.539   5.874
  135    HZ1  LYS  23           HZ1      LYS  23  11.827  -6.431   7.733
  136    HZ2  LYS  23           HZ2      LYS  23  13.000  -5.254   7.381
  137    HZ3  LYS  23           HZ3      LYS  23  13.413  -6.619   8.305
  138    HN1  NH2  24           H1       NH2  24  13.717  -9.830   0.440
  139    HN2  NH2  24           H2       NH2  24  14.232 -11.062   1.488