*HEADER    TOXIN                                   04-OCT-17   6ENA              
*TITLE     NEMERTIDE ALPHA-1                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEMERTIDE ALPHA-1;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: LINEUS LONGISSIMUS;                             
*SOURCE   4 ORGANISM_TAXID: 88925                                                
*KEYWDS    NEMERTEA, LINEUS LONGISSIMUS, TOXIN, INHIBITOR CYSTINE KNOT           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    E.JACOBSSON,K.J.ROSENGREN,U.GORANSSON                                 
*REVDAT   1   14-MAR-18 6ENA    0                                                
# Restraints file 1: dihedrals.tbl
assign (resid 1     and name C    ) (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    )    1.0  -88.8   43.3 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    ) (resid 3     and name N    )    1.0  153.0   24.6 2
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0  -75.6   23.1 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  129.5   20.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -76.2   28.6 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  141.6   24.9 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0  -57.7   20.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0  134.1   20.0 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0   95.2   20.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  -12.9   20.0 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0  -71.5   20.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  142.8   20.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -90.0   25.5 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  132.5   20.0 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0 -138.8   20.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  160.5   20.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0 -106.3   54.5 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0    0.6   42.3 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0 -113.3   27.9 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  138.3   30.2 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -58.6   20.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  -35.9   20.0 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0  -68.0   20.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  -21.5   20.0 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0  -74.3   20.3 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0  128.2   23.8 2
assign (resid 17    and name C    ) (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    )    1.0   59.2   20.0 2
assign (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    ) (resid 19    and name N    )    1.0   37.4   25.9 2
!assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0   -2.8   32.9 2
assign (resid 21    and name C    ) (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    )    1.0 -100.0   80.0 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0 -124.4   91.2 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0   63.1   20.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0   30.4   24.6 2
assign (resid 24    and name C    ) (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    )    1.0 -128.7   30.4 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    ) (resid 26    and name N    )    1.0  148.8   20.0 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0  -86.8   28.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  125.5   21.2 2
assign (resid 26    and name C    ) (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    )    1.0 -105.7   53.6 2
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    ) (resid 28    and name N    )    1.0  139.8   52.1 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name CB   ) (resid 2     and name SG   )    1.0   60.0   30.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name CB   ) (resid 3     and name CG1  )    1.0  -60.0   30.0 2
!assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name CB   ) (resid 5     and name OG1  )    1.0  -60.0   30.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name CB   ) (resid 7     and name OG   )    1.0  -60.0   30.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name CB   ) (resid 9     and name SG   )    1.0   60.0   30.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name CB   ) (resid 10    and name OG1  )    1.0   60.0   30.0 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name CB   ) (resid 11    and name CG   )    1.0  -60.0   30.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name CB   ) (resid 12    and name OG   )    1.0   60.0   30.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name CB   ) (resid 15    and name SG   )    1.0  -60.0   30.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name CB   ) (resid 16    and name SG   )    1.0  -60.0   30.0 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name CB   ) (resid 17    and name OG1  )    1.0   60.0   30.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name CB   ) (resid 20    and name SG   )    1.0  180.0   30.0 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name CB   ) (resid 22    and name CG   )    1.0   60.0   30.0 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name CB   ) (resid 23    and name CG   )    1.0   60.0   30.0 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name CB   ) (resid 25    and name CG   )    1.0  -60.0   30.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name CB   ) (resid 26    and name SG   )    1.0  -60.0   30.0 2
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name CB   ) (resid 27    and name CG   )    1.0  -60.0   30.0 2
assign (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name CB   ) (resid 31    and name CG   )    1.0  -60.0   30.0 2
# Restraints file 2: hbonds.tbl
assign (resid   3 and name   HN)   (resid   14 and name   O)   0.000    0.000    2.300  
assign (resid   3 and name    N)   (resid   14 and name   O)   0.000    0.000    3.300  
assign (resid   7 and name   HN)   (resid    4 and name   O)   0.000    0.000    2.300  
assign (resid   7 and name    N)   (resid    4 and name   O)   0.000    0.000    3.300  
assign (resid   9 and name   HN)   (resid   24 and name   O)   0.000    0.000    2.300  
assign (resid   9 and name    N)   (resid   24 and name   O)   0.000    0.000    3.300  
assign (resid  14 and name   HN)   (resid   11 and name   O)   0.000    0.000    2.300  
assign (resid  14 and name    N)   (resid   11 and name   O)   0.000    0.000    3.300  
assign (resid  15 and name   HN)   (resid   12 and name   O)   0.000    0.000    2.300  
assign (resid  15 and name    N)   (resid   12 and name   O)   0.000    0.000    3.300  
assign (resid  16 and name   HN)   (resid    3 and name   O)   0.000    0.000    2.300  
assign (resid  16 and name    N)   (resid    3 and name   O)   0.000    0.000    3.300  
assign (resid  18 and name   HN)   (resid   15 and name   O)   0.000    0.000    2.300  
assign (resid  18 and name    N)   (resid   15 and name   O)   0.000    0.000    3.300
assign (resid  21 and name   HN)   (resid   25 and name   O)   0.000    0.000    2.300  
assign (resid  21 and name    N)   (resid   25 and name   O)   0.000    0.000    3.300  
assign (resid  24 and name   HN)   (resid   21 and name   O)   0.000    0.000    2.300  
assign (resid  24 and name    N)   (resid   21 and name   O)   0.000    0.000    3.300  
assign (resid  25 and name   HN)   (resid   23 and name   OD1)   0.000    0.000    2.300  
assign (resid  25 and name    N)   (resid   23 and name   OD1)   0.000    0.000    3.300  
assign (resid  26 and name   HN)   (resid    7 and name   O)   0.000    0.000    2.300  
assign (resid  26 and name    N)   (resid    7 and name   O)   0.000    0.000    3.300  
assign (resid  27 and name   HN)   (resid   19 and name   O)   0.000    0.000    2.300  
assign (resid  27 and name    N)   (resid   19 and name   O)   0.000    0.000    3.300  

# Restraints file 3: unambig.tbl
!#  4 ALA  H       4 ALA  QB      3.26            #peak 2 #SUP 0.98 #QF 0.98
!#  5 THR  H       5 THR  QG2     4.09            #peak 6 #SUP 1.00
!# 15 CYSS HB3    18 LYS  H       4.71            #peak 29 #SUP 1.00
!# 15 CYSS H      15 CYSS HB2     3.60            #peak 30 #SUP 0.93 #QF 0.72
!# 10 THR  H      10 THR  QG2     3.82            #peak 36 #SUP 0.87 #QF 0.87
!#  8 PHE  H       8 PHE  HB2     3.09            #peak 39 #SUP 0.86 #QF 0.86
!#  8 PHE  H       8 PHE  HB3     3.09            #peak 40 #SUP 0.88 #QF 0.88
!# 16 CYSS H      16 CYSS HB3     3.91            #peak 50 #SUP 0.90 #QF 0.90
!# 25 LYS  H      25 LYS  HB3     3.85            #peak 82 #SUP 1.00
!# 25 LYS  H      25 LYS  HG2     5.05            #peak 84 #SUP 0.99 #QF 0.99
!# 16 CYSS H      16 CYSS HB2     3.91            #peak 87 #SUP 0.99 #QF 0.99
!# 11 LEU  H      11 LEU  QD1     5.50            #peak 110 #SUP 1.00
!#  3 ILE  QD1    11 LEU  H       5.50            #peak 111 #SUP 1.00 #QF 0.75
!# 12 SER  H      12 SER  QB      3.07            #peak 117 #SUP 0.89 #QF 0.89
!# 18 LYS  H      18 LYS  HD3     5.23            #peak 145 #SUP 1.00
!# 18 LYS  H      18 LYS  HG2     4.52            #peak 146 #SUP 0.95 #QF 0.95
!# 25 LYS  H      25 LYS  HB2     4.09            #peak 183 #SUP 1.00
!# 20 CYSS H      20 CYSS HB3     3.38            #peak 203 #SUP 0.92 #QF 0.92
!# 20 CYSS H      20 CYSS HB2     3.48            #peak 204 #SUP 0.96 #QF 0.96
!#  3 ILE  H       3 ILE  HB      3.08            #peak 234 #SUP 0.97 #QF 0.97
!#  3 ILE  H       3 ILE  HG12    4.05            #peak 235 #SUP 0.99 #QF 0.99
!#  3 ILE  H       3 ILE  QD1     4.15            #peak 236 #SUP 0.99 #QF 0.99
!#  3 ILE  H       3 ILE  QG2     4.13            #peak 237 #SUP 1.00
!#  3 ILE  QG2     7 SER  H       4.37            #peak 669 #SUP 0.87 #QF 0.87
!#  3 ILE  HA      4 ALA  H       2.61            #peak 670 #SUP 0.63 #QF 0.63
!#  3 ILE  HB      4 ALA  H       4.89            #peak 671 #SUP 0.85 #QF 0.85
!#  3 ILE  QG2     4 ALA  H       3.55            #peak 672 #SUP 0.67 #QF 0.67
!#  3 ILE  HG12    4 ALA  H       4.47            #peak 673 #SUP 0.69 #QF 0.69
!#  3 ILE  QD1     4 ALA  H       5.50            #peak 674 #SUP 0.85 #QF 0.85
!#  5 THR  H       5 THR  HB      3.79            #peak 676 #SUP 1.00
!#  4 ALA  QB      5 THR  H       3.29            #peak 677 #SUP 0.94 #QF 0.94
!#  4 ALA  HA      5 THR  H       2.71            #peak 678 #SUP 0.68 #QF 0.68
!#  5 THR  HB      6 GLY  H       2.84            #peak 680 #SUP 0.70 #QF 0.70
!#  5 THR  QG2     6 GLY  H       4.09            #peak 681 #SUP 0.99 #QF 0.99
!#  8 PHE  HA      9 CYSS H       2.74            #peak 687 #SUP 0.71 #QF 0.71
!#  8 PHE  HB3     9 CYSS H       4.41            #peak 688 #SUP 0.96 #QF 0.96
!#  8 PHE  HB2     9 CYSS H       4.41            #peak 689 #SUP 0.86 #QF 0.86
!#  9 CYSS HA     10 THR  H       2.91            #peak 690 #SUP 0.85 #QF 0.85
!#  9 CYSS HB3    10 THR  H       4.11            #peak 692 #SUP 0.90 #QF 0.90
!# 10 THR  QG2    11 LEU  H       5.14            #peak 694 #SUP 0.95 #QF 0.95
!# 24 PHE  H      24 PHE  HA      2.81            #peak 696 #SUP 0.94 #QF 0.94
!# 24 PHE  HA     25 LYS  H       3.48            #peak 698 #SUP 0.80 #QF 0.80
!# 24 PHE  HB3    25 LYS  H       5.43            #peak 699 #SUP 0.92 #QF 0.92
!# 24 PHE  HB2    25 LYS  H       5.28            #peak 700 #SUP 0.98 #QF 0.98
!# 26 CYSS H      26 CYSS HB3     3.93            #peak 702 #SUP 0.99 #QF 0.99
!# 26 CYSS H      26 CYSS HB2     3.10            #peak 703 #SUP 0.85 #QF 0.85
!# 26 CYSS HB3    27 ASN  H       4.09            #peak 704 #SUP 1.00
!# 26 CYSS HA     27 ASN  H       2.78            #peak 706 #SUP 0.76 #QF 0.76
!# 27 ASN  H      27 ASN  HB2     3.14            #peak 707 #SUP 0.73 #QF 0.73
!# 27 ASN  H      27 ASN  HB3     4.02            #peak 708 #SUP 0.98 #QF 0.98
!# 31 GLN  H      31 GLN  QG      5.12            #peak 715 #SUP 0.99 #QF 0.99
!#  4 ALA  QB      6 GLY  H       5.50            #peak 718 #SUP 0.88 #QF 0.88
!# 23 ASN  H      23 ASN  HB2     4.09            #peak 720 #SUP 0.99 #QF 0.99
!# 23 ASN  H      23 ASN  HB3     4.09            #peak 721 #SUP 0.89 #QF 0.89
!# 22 TRP  H      22 TRP  HB3     4.20            #peak 723 #SUP 1.00
!# 22 TRP  H      22 TRP  HB2     3.43            #peak 724 #SUP 0.89 #QF 0.89
!# 21 GLY  H      21 GLY  HA3     2.94            #peak 726 #SUP 0.99 #QF 0.99
!# 19 ASN  H      19 ASN  HB3     3.63            #peak 728 #SUP 0.80 #QF 0.80
!# 19 ASN  H      19 ASN  HB2     3.63            #peak 729 #SUP 0.87 #QF 0.87
!# 10 THR  HB     11 LEU  H       5.12            #peak 730 #SUP 0.83 #QF 0.83
!# 11 LEU  HB3    12 SER  H       4.68            #peak 731 #SUP 0.89 #QF 0.85
!# 12 SER  H      13 LYS  QD      5.05            #peak 731 #SUP 0.89 #QF 0.85
!# 11 LEU  HB2    12 SER  H       4.68            #peak 732 #SUP 0.79 #QF 0.79
!# 11 LEU  QD1    12 SER  H       5.50            #peak 733 #SUP 0.44 #QF 0.44
!# 11 LEU  QD2    12 SER  H       5.50            #peak 734 #SUP 0.93 #QF 0.50
!# 11 LEU  HA     12 SER  H       3.44            #peak 735 #SUP 0.84 #QF 0.84
!# 15 CYSS HB2    16 CYSS H       4.69            #peak 737 #SUP 0.99 #QF 0.99
!# 15 CYSS HB3    16 CYSS H       3.91            #peak 738 #SUP 0.97 #QF 0.97
!# 15 CYSS HA     16 CYSS H       2.83            #peak 739 #SUP 0.82 #QF 0.82
!# 16 CYSS HB3    17 THR  H       4.36            #peak 741 #SUP 0.79 #QF 0.79
!# 16 CYSS HB2    17 THR  H       4.36            #peak 742 #SUP 0.95 #QF 0.95
!# 21 GLY  HA3    22 TRP  H       3.52            #peak 745 #SUP 0.98 #QF 0.98
!# 21 GLY  HA2    22 TRP  H       3.03            #peak 746 #SUP 0.88 #QF 0.88
!# 25 LYS  HA     26 CYSS H       2.88            #peak 748 #SUP 0.65 #QF 0.65
!# 27 ASN  HA     28 PRO  QD      2.84            #peak 759 #SUP 0.77 #QF 0.77
!#  1 GLY  QA      2 CYSS H       3.02            #peak 760 #SUP 1.00
!#  2 CYSS HA      3 ILE  HG13    4.27            #peak 771 #SUP 0.42 #QF 0.42
!# 23 ASN  HD22   25 LYS  HG2     5.50            #peak 778 #SUP 0.94 #QF 0.94
!# 12 SER  HA     20 CYSS HB3     3.88            #peak 810 #SUP 0.97 #QF 0.97
!# 12 SER  HA     20 CYSS HB2     2.97            #peak 812 #SUP 0.68 #QF 0.68
!#  3 ILE  H      16 CYSS H       3.81            #peak 816 #SUP 0.98 #QF 0.98
!#  4 ALA  QB      7 SER  H       4.64            #peak 818 #SUP 0.42 #QF 0.42
!#  4 ALA  QB     16 CYSS H       5.50            #peak 819 #SUP 0.88 #QF 0.88
!# 17 THR  QG2    27 ASN  H       4.85            #peak 837 #SUP 0.63 #QF 0.63
!#  5 THR  QG2    16 CYSS H       5.43            #peak 838 #SUP 0.70 #QF 0.45
!# 16 CYSS H      17 THR  QG2     5.50            #peak 838 #SUP 0.70 #QF 0.45
!#  5 THR  QG2    17 THR  H       3.31            #peak 839 #SUP 0.55 #QF 0.28
!# 17 THR  H      17 THR  QG2     3.59            #peak 839 #SUP 0.55 #QF 0.28
!# 25 LYS  HB2    26 CYSS H       4.24            #peak 840 #SUP 0.75 #QF 0.75
!#  9 CYSS H      25 LYS  HB2     5.50            #peak 841 #SUP 0.74 #QF 0.74
!# 23 ASN  HD22   25 LYS  HB2     4.09            #peak 842 #SUP 0.97 #QF 0.97
!# 27 ASN  H      28 PRO  QD      4.82            #peak 861 #SUP 0.74 #QF 0.74
!#  5 THR  HB     17 THR  H       5.46            #peak 862 #SUP 0.88 #QF 0.88
!#  5 THR  HB     26 CYSS H       5.27            #peak 863 #SUP 0.93 #QF 0.93
!#  8 PHE  QD     24 PHE  HB3     4.07            #peak 864 #SUP 0.91 #QF 0.91
!#  8 PHE  QE     24 PHE  HB3     3.85            #peak 866 #SUP 0.85 #QF 0.85
!#  8 PHE  HZ     24 PHE  HB3     5.10            #peak 867 #SUP 0.93 #QF 0.93
!# 19 ASN  HD21   28 PRO  QD      5.50            #peak 868 #SUP 0.98 #QF 0.98
!# 19 ASN  HD22   28 PRO  QD      5.50            #peak 869 #SUP 0.80 #QF 0.80
!#  5 THR  HB     26 CYSS HB3     3.95            #peak 875 #SUP 0.92 #QF 0.92
!#  5 THR  HB     26 CYSS HB2     3.84            #peak 878 #SUP 0.78 #QF 0.78
!# 27 ASN  HB3    28 PRO  QD      2.98            #peak 881 #SUP 0.68 #QF 0.68
!# 21 GLY  H      25 LYS  HB2     5.50            #peak 901 #SUP 0.74 #QF 0.74
!#  6 GLY  H      25 LYS  HB3     5.50            #peak 902 #SUP 0.65 #QF 0.65
!#  6 GLY  H      26 CYSS HB3     4.43            #peak 903 #SUP 0.95 #QF 0.95
!#  6 GLY  H      26 CYSS HB2     3.51            #peak 904 #SUP 0.79 #QF 0.79
!#  6 GLY  H      26 CYSS HA      5.50            #peak 906 #SUP 0.88 #QF 0.88
!#  6 GLY  H      26 CYSS H       4.14            #peak 911 #SUP 0.98 #QF 0.98
!#  6 GLY  H       7 SER  H       3.37            #peak 912 #SUP 0.96 #QF 0.96
!# 19 ASN  HD22   29 PRO  HA      4.65            #peak 930 #SUP 0.89 #QF 0.89
!# 19 ASN  HD21   29 PRO  HA      4.13            #peak 931 #SUP 0.80 #QF 0.80
!# 17 THR  HB     19 ASN  H       5.29            #peak 932 #SUP 0.94 #QF 0.94
!# 16 CYSS HA     18 LYS  H       4.75            #peak 933 #SUP 0.69 #QF 0.69
!# 17 THR  HB     27 ASN  H       5.50            #peak 934 #SUP 0.89 #QF 0.89
!#  7 SER  HA      8 PHE  H       2.99            #peak 935 #SUP 0.62 #QF 0.62
!# 10 THR  H      11 LEU  H       2.79            #peak 946 #SUP 0.98 #QF 0.98
!#  7 SER  H      26 CYSS H       4.66            #peak 966 #SUP 1.00
!#  7 SER  H      25 LYS  HA      5.50            #peak 967 #SUP 0.60 #QF 0.60
!#  7 SER  H      26 CYSS HB3     5.50            #peak 968 #SUP 0.96 #QF 0.96
!#  3 ILE  QD1    10 THR  H       4.36            #peak 970 #SUP 0.41 #QF 0.41
!#  2 CYSS HB3     3 ILE  H       3.95            #peak 973 #SUP 0.93 #QF 0.93
!#  2 CYSS HB2     3 ILE  H       3.95            #peak 974 #SUP 0.99 #QF 0.99
!# 17 THR  H      26 CYSS HB2     5.50            #peak 976 #SUP 0.84 #QF 0.84
!#  7 SER  H      26 CYSS HB2     3.95            #peak 977 #SUP 0.90 #QF 0.90
!# 22 TRP  HB2    23 ASN  H       4.77            #peak 978 #SUP 1.00 #QF 0.99
!#  8 PHE  HA     25 LYS  HA      4.70            #peak 998 #SUP 0.60 #QF 0.60
!#  8 PHE  H      25 LYS  HA      5.50            #peak 999 #SUP 0.81 #QF 0.81
!#  9 CYSS HB2    10 THR  H       4.11            #peak 1002 #SUP 0.97 #QF 0.97
!# 19 ASN  HB3    19 ASN  HD22    4.09            #peak 1006 #SUP 0.98 #QF 0.98
!# 30 ASN  H      31 GLN  H       3.87            #peak 1013 #SUP 0.73 #QF 0.73
!#  8 PHE  QD      9 CYSS H       5.24            #peak 1014 #SUP 0.95 #QF 0.95
!#  9 CYSS H      24 PHE  HB3     4.01            #peak 1015 #SUP 0.39 #QF 0.39
!#  9 CYSS H      10 THR  QG2     5.20            #peak 1016 #SUP 0.54 #QF 0.54
!#  3 ILE  QD1     9 CYSS H       5.50            #peak 1017 #SUP 0.88 #QF 0.83
!#  9 CYSS H      25 LYS  HG2     5.50            #peak 1017 #SUP 0.88 #QF 0.83
!# 24 PHE  H      25 LYS  H       3.38            #peak 1022 #SUP 0.89 #QF 0.89
!# 18 LYS  H      18 LYS  QE      5.50            #peak 1028 #SUP 1.00
!#  9 CYSS H      25 LYS  HA      3.70            #peak 1033 #SUP 0.56 #QF 0.56
!#  4 ALA  HA     16 CYSS H       4.78            #peak 1036 #SUP 0.68 #QF 0.68
!#  3 ILE  H       4 ALA  HA      5.50            #peak 1037 #SUP 0.81 #QF 0.68
!#  3 ILE  QD1    16 CYSS H       5.50            #peak 1053 #SUP 0.98 #QF 0.98
!#  3 ILE  HG13   16 CYSS H       5.50            #peak 1054 #SUP 0.83 #QF 0.83
!#  3 ILE  HB     16 CYSS H       3.92            #peak 1055 #SUP 0.98 #QF 0.98
!# 25 LYS  HG2    26 CYSS H       4.97            #peak 1056 #SUP 0.49 #QF 0.26
!# 13 LYS  H      13 LYS  QD      4.01            #peak 1057 #SUP 1.00
!#  3 ILE  QD1    14 GLY  H       5.50            #peak 1058 #SUP 0.74 #QF 0.23
!# 13 LYS  QD     14 GLY  H       3.78            #peak 1059 #SUP 0.55 #QF 0.55
!#  3 ILE  QD1     8 PHE  QD      5.20            #peak 1060 #SUP 0.38 #QF 0.38
!# 23 ASN  HD21   25 LYS  HG2     5.44            #peak 1061 #SUP 0.83 #QF 0.83
!#  3 ILE  HG13    4 ALA  H       5.27            #peak 1075 #SUP 0.98 #QF 0.98
!# 11 LEU  H      12 SER  H       5.21            #peak 1077 #SUP 0.75 #QF 0.65
!# 12 SER  H      15 CYSS H       5.50            #peak 1077 #SUP 0.75 #QF 0.65
!# 17 THR  H      18 LYS  H       3.47            #peak 1078 #SUP 0.90 #QF 0.90
!#  3 ILE  HA     16 CYSS H       5.27            #peak 1094 #SUP 0.97 #QF 0.97
!# 12 SER  QB     20 CYSS H       3.67            #peak 1096 #SUP 0.33 #QF 0.33
!# 12 SER  HA     20 CYSS H       3.21            #peak 1097 #SUP 0.87 #QF 0.87
!# 12 SER  QB     13 LYS  H       3.34            #peak 1098 #SUP 0.78 #QF 0.78
!# 12 SER  HA     15 CYSS H       4.09            #peak 1099 #SUP 0.51 #QF 0.51
!# 24 PHE  HA     24 PHE  QD      3.90            #peak 1100 #SUP 0.99 #QF 0.99
!# 12 SER  QB     19 ASN  H       5.50            #peak 1101 #SUP 0.99 #QF 0.65
!#  8 PHE  QE     24 PHE  HA      5.50            #peak 1101 #SUP 0.99 #QF 0.65
!# 12 SER  H      14 GLY  H       5.50            #peak 1106 #SUP 0.96 #QF 0.96
!# 12 SER  H      13 LYS  H       3.66            #peak 1109 #SUP 0.99 #QF 0.99
!# 13 LYS  H      14 GLY  H       3.70            #peak 1118 #SUP 0.94 #QF 0.94
!# 13 LYS  H      13 LYS  HB3     3.61            #peak 1121 #SUP 0.97 #QF 0.97
!# 13 LYS  H      13 LYS  HB2     3.61            #peak 1122 #SUP 0.99 #QF 0.99
!# 13 LYS  H      13 LYS  QG      3.41            #peak 1123 #SUP 0.98 #QF 0.98
!#  3 ILE  H      15 CYSS HB2     5.50            #peak 1126 #SUP 0.97 #QF 0.97
!# 15 CYSS HB2    17 THR  H       4.55            #peak 1128 #SUP 1.00
!# 15 CYSS HB3    17 THR  H       3.27            #peak 1129 #SUP 0.80 #QF 0.80
!# 15 CYSS HB2    19 ASN  H       3.92            #peak 1133 #SUP 0.84 #QF 0.84
!# 15 CYSS HB3    19 ASN  H       4.06            #peak 1135 #SUP 0.89 #QF 0.89
!# 19 ASN  HD21   27 ASN  HB3     4.40            #peak 1136 #SUP 0.99 #QF 0.99
!# 19 ASN  HD22   27 ASN  HB3     4.06            #peak 1138 #SUP 0.86 #QF 0.86
!# 17 THR  QG2    18 LYS  H       5.32            #peak 1149 #SUP 0.84 #QF 0.42
!# 15 CYSS HB2    18 LYS  HA      3.99            #peak 1152 #SUP 0.83 #QF 0.83
!# 15 CYSS H      16 CYSS H       5.37            #peak 1157 #SUP 1.00 #QF 0.96
!# 16 CYSS H      18 LYS  H       5.50            #peak 1157 #SUP 1.00 #QF 0.96
!# 14 GLY  H      15 CYSS H       3.52            #peak 1160 #SUP 0.84 #QF 0.84
!#  3 ILE  H      16 CYSS HA      5.50            #peak 1170 #SUP 1.00
!# 16 CYSS H      17 THR  H       3.63            #peak 1193 #SUP 0.99 #QF 0.99
!# 17 THR  H      19 ASN  H       5.04            #peak 1204 #SUP 0.98 #QF 0.98
!# 15 CYSS HA     17 THR  H       4.64            #peak 1205 #SUP 0.84 #QF 0.84
!# 29 PRO  HB3    30 ASN  H       4.55            #peak 1209 #SUP 1.00
!# 13 LYS  QG     14 GLY  H       4.23            #peak 1212 #SUP 0.84 #QF 0.84
!# 23 ASN  HB3    23 ASN  HD21    3.48            #peak 1213 #SUP 0.98 #QF 0.98
!# 11 LEU  H      11 LEU  QD2     5.50            #peak 1226 #SUP 0.85 #QF 0.72
!# 26 CYSS HB2    27 ASN  H       5.19            #peak 1232 #SUP 0.87 #QF 0.66
!#  5 THR  H      26 CYSS HB2     5.46            #peak 1234 #SUP 0.59 #QF 0.59
!# 19 ASN  HB2    19 ASN  HD22    4.09            #peak 1237 #SUP 0.98 #QF 0.98
!# 19 ASN  H      20 CYSS H       4.93            #peak 1263 #SUP 0.88 #QF 0.88
!# 20 CYSS HA     26 CYSS HA      4.43            #peak 1264 #SUP 0.79 #QF 0.79
!# 20 CYSS HA     21 GLY  H       2.88            #peak 1265 #SUP 0.53 #QF 0.53
!# 20 CYSS HA     27 ASN  H       4.04            #peak 1266 #SUP 0.39 #QF 0.39
!# 12 SER  H      20 CYSS H       5.18            #peak 1270 #SUP 0.95 #QF 0.95
!# 20 CYSS HB2    26 CYSS HA      5.50            #peak 1271 #SUP 0.85 #QF 0.85
!# 12 SER  H      20 CYSS HB2     4.39            #peak 1273 #SUP 0.97 #QF 0.97
!# 12 SER  H      20 CYSS HB3     4.59            #peak 1274 #SUP 0.99 #QF 0.99
!# 20 CYSS HB2    21 GLY  H       5.25            #peak 1275 #SUP 0.92 #QF 0.92
!# 20 CYSS HB3    21 GLY  H       5.26            #peak 1276 #SUP 0.84 #QF 0.84
!# 13 LYS  H      20 CYSS HB2     5.50            #peak 1277 #SUP 0.60 #QF 0.60
!# 11 LEU  H      20 CYSS HB2     5.50            #peak 1278 #SUP 0.69 #QF 0.69
!# 15 CYSS H      20 CYSS HB2     5.50            #peak 1279 #SUP 0.73 #QF 0.73
!# 20 CYSS HA     25 LYS  H       5.50            #peak 1282 #SUP 0.81 #QF 0.81
!# 21 GLY  HA2    27 ASN  HD21    4.71            #peak 1283 #SUP 0.97 #QF 0.97
!# 21 GLY  HA2    23 ASN  H       5.23            #peak 1284 #SUP 0.68 #QF 0.68
!# 21 GLY  HA2    27 ASN  HD22    4.71            #peak 1286 #SUP 0.99 #QF 0.99
!# 21 GLY  HA3    25 LYS  H       5.50            #peak 1287 #SUP 0.91 #QF 0.91
!# 21 GLY  H      26 CYSS HA      4.13            #peak 1289 #SUP 0.91 #QF 0.91
!# 21 GLY  H      25 LYS  H       3.93            #peak 1290 #SUP 0.95 #QF 0.95
!# 21 GLY  H      27 ASN  HD22    4.40            #peak 1291 #SUP 0.98 #QF 0.98
!# 21 GLY  H      27 ASN  HD21    4.40            #peak 1292 #SUP 0.96 #QF 0.96
!# 21 GLY  H      27 ASN  H       4.61            #peak 1293 #SUP 0.98 #QF 0.98
!# 21 GLY  H      25 LYS  HB3     5.50            #peak 1303 #SUP 0.95 #QF 0.95
!# 21 GLY  H      27 ASN  HB2     4.90            #peak 1304 #SUP 0.98 #QF 0.98
!# 22 TRP  H      22 TRP  HD1     3.92            #peak 1309 #SUP 0.56 #QF 0.56
!# 22 TRP  H      23 ASN  H       3.46            #peak 1310 #SUP 0.86 #QF 0.86
!# 22 TRP  HB3    24 PHE  H       5.50            #peak 1311 #SUP 0.91 #QF 0.91
!# 23 ASN  H      24 PHE  H       3.30            #peak 1314 #SUP 0.96 #QF 0.96
!# 23 ASN  HB3    24 PHE  H       5.50            #peak 1318 #SUP 0.99 #QF 0.99
!# 23 ASN  HB2    23 ASN  HD21    3.48            #peak 1323 #SUP 0.96 #QF 0.96
!# 23 ASN  HB2    24 PHE  H       5.50            #peak 1324 #SUP 0.99 #QF 0.99
!# 23 ASN  H      25 LYS  H       4.59            #peak 1337 #SUP 0.98 #QF 0.98
!# 24 PHE  H      25 LYS  HB2     5.50            #peak 1338 #SUP 0.87 #QF 0.87
!# 25 LYS  H      26 CYSS H       5.33            #peak 1358 #SUP 1.00
!# 23 ASN  HD22   25 LYS  H       4.74            #peak 1361 #SUP 0.66 #QF 0.66
!#  5 THR  H      26 CYSS HB3     5.50            #peak 1371 #SUP 0.92 #QF 0.92
!# 17 THR  H      26 CYSS HB3     4.89            #peak 1372 #SUP 0.91 #QF 0.91
!# 27 ASN  HB2    27 ASN  HD22    4.03            #peak 1400 #SUP 0.96 #QF 0.96
!# 27 ASN  HB2    27 ASN  HD21    4.03            #peak 1401 #SUP 0.96 #QF 0.96
!# 29 PRO  HB2    30 ASN  H       4.55            #peak 1402 #SUP 0.99 #QF 0.99
!# 27 ASN  HB2    28 PRO  QD      4.61            #peak 1404 #SUP 0.99 #QF 0.99
!# 19 ASN  H      27 ASN  H       5.50            #peak 1408 #SUP 0.81 #QF 0.81
!# 29 PRO  HA     30 ASN  H       3.05            #peak 1410 #SUP 0.38 #QF 0.38
!# 19 ASN  HD22   30 ASN  H       5.00            #peak 1413 #SUP 0.71 #QF 0.71
!# 19 ASN  HD21   30 ASN  H       4.98            #peak 1414 #SUP 0.98 #QF 0.98
!# 28 PRO  HA     29 PRO  HD2     3.16            #peak 1419 #SUP 1.00
!# 28 PRO  HA     29 PRO  HD3     3.16            #peak 1420 #SUP 1.00
!#  2 CYSS HA      3 ILE  H       2.91            #peak 1424 #SUP 0.80 #QF 0.80
!#  3 ILE  H      15 CYSS HA      3.94            #peak 1425 #SUP 0.86 #QF 0.86
!#  3 ILE  H       3 ILE  HG13    3.01            #peak 1426 #SUP 0.96 #QF 0.96
!#  3 ILE  HA      3 ILE  HG13    3.98            #peak 1431 #SUP 0.99 #QF 0.99
!#  3 ILE  HA      3 ILE  HG12    3.79            #peak 1432 #SUP 0.99 #QF 0.99
!#  3 ILE  HA      3 ILE  QG2     3.12            #peak 1433 #SUP 0.99 #QF 0.99
!#  3 ILE  HA      3 ILE  QD1     4.01            #peak 1434 #SUP 0.99 #QF 0.99
!#  3 ILE  HB      3 ILE  HG13    2.90            #peak 1435 #SUP 0.98 #QF 0.98
!#  3 ILE  HB      3 ILE  QD1     3.76            #peak 1438 #SUP 0.99 #QF 0.99
!#  3 ILE  QG2     3 ILE  HG13    3.92            #peak 1440 #SUP 0.99 #QF 0.99
!#  3 ILE  QG2     3 ILE  HG12    2.62            #peak 1442 #SUP 0.93 #QF 0.93
!#  3 ILE  QG2     3 ILE  QD1     2.90            #peak 1444 #SUP 0.97 #QF 0.97
!#  5 THR  HA      5 THR  HB      2.88            #peak 1448 #SUP 0.98 #QF 0.98
!#  5 THR  HA      5 THR  QG2     3.04            #peak 1449 #SUP 0.96 #QF 0.96
!#  5 THR  HB      7 SER  H       5.18            #peak 1452 #SUP 0.99 #QF 0.99
!#  8 PHE  HA      8 PHE  QD      3.50            #peak 1460 #SUP 0.82 #QF 0.82
!#  8 PHE  QD     10 THR  QG2     4.44            #peak 1461 #SUP 0.96 #QF 0.96
!#  8 PHE  QE     10 THR  QG2     3.69            #peak 1462 #SUP 0.82 #QF 0.82
!#  8 PHE  HZ     10 THR  QG2     3.58            #peak 1463 #SUP 0.68 #QF 0.68
!#  8 PHE  HZ     24 PHE  HB2     5.50            #peak 1465 #SUP 0.51 #QF 0.51
!#  8 PHE  HA      8 PHE  QE      4.88            #peak 1467 #SUP 0.67 #QF 0.67
!#  8 PHE  QD      8 PHE  HZ      4.03            #peak 1471 #SUP 0.98 #QF 0.98
!#  8 PHE  QE      8 PHE  HZ      2.40            #peak 1472 #SUP 0.98 #QF 0.98
!#  9 CYSS HA     11 LEU  H       4.62            #peak 1477 #SUP 0.99 #QF 0.99
!# 10 THR  HA     10 THR  QG2     3.26            #peak 1479 #SUP 0.91 #QF 0.91
!# 11 LEU  HA     11 LEU  QD1     4.95            #peak 1483 #SUP 1.00
!# 11 LEU  HA     11 LEU  QD2     4.95            #peak 1484 #SUP 1.00
!# 12 SER  HA     12 SER  QB      3.01            #peak 1491 #SUP 0.90 #QF 0.90
!# 13 LYS  HA     13 LYS  QE      5.50            #peak 1495 #SUP 0.88 #QF 0.53
!# 13 LYS  HA     13 LYS  QD      4.12            #peak 1498 #SUP 0.99 #QF 0.99
!# 13 LYS  HB2    13 LYS  QE      5.50            #peak 1500 #SUP 1.00
!# 13 LYS  HB3    13 LYS  QE      5.50            #peak 1501 #SUP 1.00
!# 13 LYS  HB2    14 GLY  H       4.77            #peak 1510 #SUP 1.00
!# 13 LYS  HB3    14 GLY  H       4.77            #peak 1511 #SUP 0.82 #QF 0.82
!#  3 ILE  QG2    16 CYSS H       5.20            #peak 1518 #SUP 0.94 #QF 0.94
!# 17 THR  HA     17 THR  QG2     3.31            #peak 1524 #SUP 1.00
!# 17 THR  H      18 LYS  HA      5.41            #peak 1526 #SUP 0.96 #QF 0.96
!# 18 LYS  HA     18 LYS  QE      4.95            #peak 1528 #SUP 1.00
!# 18 LYS  HA     18 LYS  HD3     4.60            #peak 1531 #SUP 0.90 #QF 0.90
!# 18 LYS  HA     18 LYS  HG2     4.21            #peak 1532 #SUP 1.00
!# 18 LYS  HA     18 LYS  HG3     4.21            #peak 1533 #SUP 1.00
!# 18 LYS  H      18 LYS  HG3     4.52            #peak 1549 #SUP 1.00
!#  3 ILE  HB     15 CYSS H       5.50            #peak 1551 #SUP 0.89 #QF 0.89
!# 18 LYS  H      19 ASN  H       3.54            #peak 1553 #SUP 0.86 #QF 0.86
!# 19 ASN  HA     19 ASN  HD21    5.33            #peak 1561 #SUP 0.91 #QF 0.84
!# 19 ASN  HD21   28 PRO  HA      5.50            #peak 1561 #SUP 0.91 #QF 0.84
!# 19 ASN  HD21   27 ASN  HB2     3.85            #peak 1563 #SUP 0.95 #QF 0.95
!# 19 ASN  HD22   27 ASN  HB2     3.98            #peak 1564 #SUP 0.96 #QF 0.96
!# 19 ASN  HA     20 CYSS H       2.98            #peak 1570 #SUP 0.58 #QF 0.58
!# 22 TRP  HB3    22 TRP  HE3     3.45            #peak 1575 #SUP 0.74 #QF 0.74
!# 22 TRP  HA     22 TRP  HD1     5.12            #peak 1588 #SUP 1.00
!# 21 GLY  HA2    22 TRP  HD1     5.24            #peak 1589 #SUP 0.75 #QF 0.75
!# 22 TRP  HA     24 PHE  H       4.65            #peak 1592 #SUP 0.73 #QF 0.73
!# 23 ASN  HD22   25 LYS  HB3     3.71            #peak 1598 #SUP 0.91 #QF 0.91
!# 24 PHE  HA     24 PHE  HB3     2.76            #peak 1600 #SUP 0.89 #QF 0.89
!# 24 PHE  HA     24 PHE  QE      5.33            #peak 1603 #SUP 0.98 #QF 0.98
!# 24 PHE  QD     24 PHE  HZ      3.84            #peak 1608 #SUP 1.00
!# 10 THR  QG2    24 PHE  QD      4.27            #peak 1613 #SUP 0.53 #QF 0.53
!# 10 THR  QG2    24 PHE  QE      5.10            #peak 1614 #SUP 0.87 #QF 0.87
!# 17 THR  QG2    19 ASN  H       5.28            #peak 1616 #SUP 0.95 #QF 0.67
!# 23 ASN  HD21   25 LYS  HB2     5.50            #peak 1616 #SUP 0.95 #QF 0.67
!# 25 LYS  HA     25 LYS  HD2     5.50            #peak 1619 #SUP 0.98 #QF 0.98
!# 25 LYS  HA     25 LYS  HD3     5.50            #peak 1620 #SUP 0.98 #QF 0.98
!# 25 LYS  HA     25 LYS  HG2     3.61            #peak 1623 #SUP 0.90 #QF 0.90
!# 25 LYS  HB3    25 LYS  HE2     5.50            #peak 1626 #SUP 0.99 #QF 0.99
!# 25 LYS  HB2    25 LYS  HD2     3.90            #peak 1631 #SUP 1.00
!# 25 LYS  HB2    25 LYS  HD3     3.90            #peak 1634 #SUP 1.00
!# 25 LYS  HB2    25 LYS  QZ      5.50            #peak 1639 #SUP 0.94 #QF 0.94
!# 25 LYS  HG2    25 LYS  QZ      5.50            #peak 1640 #SUP 0.86 #QF 0.86
!# 25 LYS  HB3    26 CYSS H       4.19            #peak 1642 #SUP 0.85 #QF 0.85
!#  3 ILE  QG2    26 CYSS H       5.50            #peak 1643 #SUP 0.68 #QF 0.68
!#  3 ILE  QG2     8 PHE  H       4.65            #peak 1644 #SUP 0.83 #QF 0.83
!# 19 ASN  HD21   27 ASN  H       5.19            #peak 1648 #SUP 0.96 #QF 0.96
!# 19 ASN  HD22   27 ASN  H       5.50            #peak 1649 #SUP 0.99 #QF 0.99
!# 18 LYS  H      18 LYS  HD2     5.23            #peak 1687 #SUP 0.98 #QF 0.98
!# 18 LYS  HA     18 LYS  HD2     4.60            #peak 1693 #SUP 0.98 #QF 0.98
!# 25 LYS  H      25 LYS  HG3     4.27            #peak 1699 #SUP 0.89 #QF 0.89
!# 25 LYS  HB3    25 LYS  HE3     5.50            #peak 1702 #SUP 1.00
!# 16 CYSS H      26 CYSS HB3     5.50            #peak 1708 #SUP 0.74 #QF 0.74
!# 12 SER  HA     19 ASN  HA      4.86            #peak 1713 #SUP 0.84 #QF 0.84
!#  3 ILE  HB     15 CYSS HA      2.91            #peak 1714 #SUP 0.48 #QF 0.48
!# 26 CYSS HA     27 ASN  HB2     5.50            #peak 1715 #SUP 0.75 #QF 0.75
!# 19 ASN  HA     27 ASN  HB2     5.50            #peak 1716 #SUP 0.60 #QF 0.60
!# 20 CYSS HB3    26 CYSS HA      5.50            #peak 1717 #SUP 0.36 #QF 0.36
!#  2 CYSS H       2 CYSS QB      3.50            #peak 12
!#  2 CYSS QB      3 ILE  H       3.13            #peak 973
!#  2 CYSS QB     15 CYSS H       5.34            #peak 1711
!#  2 CYSS QB     16 CYSS H       3.55            #peak 972
!#  2 CYSS QB     16 CYSS HA      3.15            #peak 1179
!#  3 ILE  H      14 GLY  QA      5.34            #peak 1037
!#  3 ILE  QG2     7 SER  QB      3.14            #peak 1718
!#  3 ILE  QD1     9 CYSS QB      5.14            #peak 1705
!#  4 ALA  H       7 SER  QB      4.30            #peak 1445
!#  6 GLY  H       7 SER  QB      5.34            #peak 907
!#  7 SER  H       7 SER  QB      2.99            #peak 17
!#  7 SER  QB      8 PHE  H       3.03            #peak 937
!#  7 SER  QB      8 PHE  QB      5.05            #peak 1495
!#  9 CYSS QB     10 THR  H       3.25            #peak 692
!#  9 CYSS QB     11 LEU  H       3.62            #peak 1004
!# 10 THR  H      11 LEU  QB      4.49            #peak 969
!# 11 LEU  H      11 LEU  QB      3.49            #peak 1686
!# 11 LEU  H      11 LEU  QQD     4.72            #peak 110
!# 11 LEU  HA     11 LEU  QQD     3.89            #peak 1483
!# 11 LEU  QB     12 SER  H       4.01            #peak 732
!# 11 LEU  QQD    12 SER  H       4.74            #peak 733
!# 11 LEU  QQD    13 LYS  H       4.78            #peak 1056
!# 11 LEU  QQD    14 GLY  H       5.44            #peak 1058
!# 13 LYS  H      13 LYS  QB      3.08            #peak 1121
!# 13 LYS  QB     13 LYS  QE      4.83            #peak 1501
!# 13 LYS  QB     14 GLY  H       4.20            #peak 1511
!# 16 CYSS H      16 CYSS QB      3.27            #peak 50
!# 16 CYSS QB     17 THR  H       3.64            #peak 741
!# 17 THR  H      18 LYS  QG      5.34            #peak 1206
!# 18 LYS  H      18 LYS  QG      3.68            #peak 146
!# 18 LYS  H      18 LYS  QD      4.43            #peak 1687
!# 18 LYS  QB     18 LYS  QE      4.33            #peak 1535
!# 19 ASN  H      19 ASN  QB      3.07            #peak 728
!# 19 ASN  QB     19 ASN  HD21    3.00            #peak 1005
!# 19 ASN  QB     19 ASN  HD22    3.53            #peak 1006
!# 19 ASN  QB     27 ASN  H       4.68            #peak 1232
!# 19 ASN  QB     29 PRO  HA      4.18            #peak 1197
!# 19 ASN  QB     30 ASN  H       5.18            #peak 1233
!# 21 GLY  HA2    27 ASN  QD2     4.12            #peak 1283
!# 21 GLY  HA3    27 ASN  QD2     3.64            #peak 1285
!# 22 TRP  H      27 ASN  QD2     5.34            #peak 1308
!# 23 ASN  H      23 ASN  QB      3.44            #peak 721
!# 23 ASN  QB     23 ASN  HD21    3.02            #peak 1323
!# 23 ASN  QB     23 ASN  HD22    3.60            #peak 1322
!# 23 ASN  QB     25 LYS  H       5.34            #peak 1321
!# 23 ASN  HD21   25 LYS  QD      4.07            #peak 1214
!# 23 ASN  HD22   25 LYS  QD      4.41            #peak 1641
!# 23 ASN  HD22   25 LYS  QE      5.34            #peak 1369
!# 25 LYS  H      25 LYS  QD      4.30            #peak 81
!# 25 LYS  H      25 LYS  QE      5.34            #peak 1368
!# 25 LYS  HA     25 LYS  QE      5.34            #peak 1618
!# 25 LYS  HB2    25 LYS  QE      4.62            #peak 1704
!# 25 LYS  HB3    25 LYS  QD      3.43            #peak 1633
!# 27 ASN  H      27 ASN  QD2     5.34            #peak 1650
!# 27 ASN  HA     28 PRO  QG      4.88            #peak 1403
!# 27 ASN  HB2    27 ASN  QD2     3.32            #peak 1401
!# 28 PRO  HA     29 PRO  QD      2.72            #peak 1420
!# 28 PRO  QB     29 PRO  QD      3.21            #peak 1662
!# 29 PRO  QB     30 ASN  H       3.90            #peak 1402
!# 29 PRO  QB     31 GLN  H       5.34            #peak 1034
!# 29 PRO  QD     30 ASN  H       4.96            #peak 1095
!# 30 ASN  H      30 ASN  QB      3.52            #peak 712
!# 31 GLN  H      31 GLN  QB      3.56            #peak 717
!# 31 GLN  H      31 GLN  QE2     4.34            #peak 1021
!# 31 GLN  QB     31 GLN  QG      2.43            #peak 1675
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.530    0.730    0.730  
assign (resid   5 and name   HN)   (resid   5 and name HG2#)   2.945    1.145    1.145  
assign (resid  15 and name  HB1)   (resid  18 and name   HN)   3.255    1.455    1.455  
assign (resid  15 and name   HN)   (resid  15 and name  HB2)   2.700    0.900    0.900  
assign (resid  10 and name   HN)   (resid  10 and name HG2#)   2.810    1.010    1.010  
assign (resid   8 and name   HN)   (resid   8 and name  HB2)   2.445    0.645    0.645  
assign (resid   8 and name   HN)   (resid   8 and name  HB1)   2.445    0.645    0.645  
assign (resid  16 and name   HN)   (resid  16 and name  HB1)   2.855    1.055    1.055  
assign (resid  25 and name   HN)   (resid  25 and name  HB1)   2.825    1.025    1.025  
assign (resid  25 and name   HN)   (resid  25 and name  HG2)   3.425    1.625    1.625  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.855    1.055    1.055  
assign (resid  11 and name   HN)   (resid  11 and name HD1#)   3.650    1.850    1.850  
assign (resid   3 and name HD1#)   (resid  11 and name   HN)   3.650    1.850    1.850  
assign (resid  12 and name   HN)   (resid  12 and name  HB#)   2.435    0.635    0.635  
assign (resid  18 and name   HN)   (resid  18 and name  HD1)   3.515    1.715    1.715  
assign (resid  18 and name   HN)   (resid  18 and name  HG2)   3.160    1.360    1.360  
assign (resid  25 and name   HN)   (resid  25 and name  HB2)   2.945    1.145    1.145  
assign (resid  20 and name   HN)   (resid  20 and name  HB1)   2.590    0.790    0.790  
assign (resid  20 and name   HN)   (resid  20 and name  HB2)   2.640    0.840    0.840  
assign (resid   3 and name   HN)   (resid   3 and name   HB)   2.440    0.640    0.640  
assign (resid   3 and name   HN)   (resid   3 and name HG12)   2.925    1.125    1.125  
assign (resid   3 and name   HN)   (resid   3 and name HD1#)   2.975    1.175    1.175  
assign (resid   3 and name   HN)   (resid   3 and name HG2#)   2.965    1.165    1.165  
assign (resid   3 and name HG2#)   (resid   7 and name   HN)   3.085    1.285    1.285  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.205    0.405    0.405  
assign (resid   3 and name   HB)   (resid   4 and name   HN)   3.345    1.545    1.545  
assign (resid   3 and name HG2#)   (resid   4 and name   HN)   2.675    0.875    0.875  
assign (resid   3 and name HG12)   (resid   4 and name   HN)   3.135    1.335    1.335  
assign (resid   3 and name HD1#)   (resid   4 and name   HN)   3.650    1.850    1.850  
assign (resid   5 and name   HN)   (resid   5 and name   HB)   2.795    0.995    0.995  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.545    0.745    0.745  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.255    0.455    0.455  
assign (resid   5 and name   HB)   (resid   6 and name   HN)   2.320    0.520    0.520  
assign (resid   5 and name HG2#)   (resid   6 and name   HN)   2.945    1.145    1.145  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.270    0.470    0.470  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   3.105    1.305    1.305  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   3.105    1.305    1.305  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.355    0.555    0.555  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   2.955    1.155    1.155  
assign (resid  10 and name HG2#)   (resid  11 and name   HN)   3.470    1.670    1.670  
assign (resid  24 and name   HN)   (resid  24 and name   HA)   2.305    0.505    0.505  
assign (resid  24 and name   HA)   (resid  25 and name   HN)   2.640    0.840    0.840  
assign (resid  24 and name  HB1)   (resid  25 and name   HN)   3.615    1.815    1.815  
assign (resid  24 and name  HB2)   (resid  25 and name   HN)   3.540    1.740    1.740  
assign (resid  26 and name   HN)   (resid  26 and name  HB1)   2.865    1.065    1.065  
assign (resid  26 and name   HN)   (resid  26 and name  HB2)   2.450    0.650    0.650  
assign (resid  26 and name  HB1)   (resid  27 and name   HN)   2.945    1.145    1.145  
assign (resid  26 and name   HA)   (resid  27 and name   HN)   2.290    0.490    0.490  
assign (resid  27 and name   HN)   (resid  27 and name  HB2)   2.470    0.670    0.670  
assign (resid  27 and name   HN)   (resid  27 and name  HB1)   2.910    1.110    1.110  
assign (resid  31 and name   HN)   (resid  31 and name  HG#)   3.460    1.660    1.660  
assign (resid   4 and name  HB#)   (resid   6 and name   HN)   3.650    1.850    1.850  
assign (resid  23 and name   HN)   (resid  23 and name  HB2)   2.945    1.145    1.145  
assign (resid  23 and name   HN)   (resid  23 and name  HB1)   2.945    1.145    1.145  
assign (resid  22 and name   HN)   (resid  22 and name  HB1)   3.000    1.200    1.200  
assign (resid  22 and name   HN)   (resid  22 and name  HB2)   2.615    0.815    0.815  
assign (resid  21 and name   HN)   (resid  21 and name  HA1)   2.370    0.570    0.570  
assign (resid  19 and name   HN)   (resid  19 and name  HB1)   2.715    0.915    0.915  
assign (resid  19 and name   HN)   (resid  19 and name  HB2)   2.715    0.915    0.915  
assign (resid  10 and name   HB)   (resid  11 and name   HN)   3.460    1.660    1.660  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   3.240    1.440    1.440  
assign (resid  12 and name   HN)   (resid  13 and name  HD#)   3.425    1.625    1.625  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   3.240    1.440    1.440  
assign (resid  11 and name HD1#)   (resid  12 and name   HN)   3.650    1.850    1.850  
assign (resid  11 and name HD2#)   (resid  12 and name   HN)   3.650    1.850    1.850  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.620    0.820    0.820  
assign (resid  15 and name  HB2)   (resid  16 and name   HN)   3.245    1.445    1.445  
assign (resid  15 and name  HB1)   (resid  16 and name   HN)   2.855    1.055    1.055  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.315    0.515    0.515  
assign (resid  16 and name  HB1)   (resid  17 and name   HN)   3.080    1.280    1.280  
assign (resid  16 and name  HB2)   (resid  17 and name   HN)   3.080    1.280    1.280  
assign (resid  21 and name  HA1)   (resid  22 and name   HN)   2.660    0.860    0.860  
assign (resid  21 and name  HA2)   (resid  22 and name   HN)   2.415    0.615    0.615  
assign (resid  25 and name   HA)   (resid  26 and name   HN)   2.340    0.540    0.540  
assign (resid  27 and name   HA)   (resid  28 and name  HD#)   2.320    0.520    0.520  
assign (resid   1 and name  HA#)   (resid   2 and name   HN)   2.410    0.610    0.610  
assign (resid   2 and name   HA)   (resid   3 and name HG11)   3.035    1.235    1.235  
assign (resid  23 and name HD22)   (resid  25 and name  HG2)   3.650    1.850    1.850  
assign (resid  12 and name   HA)   (resid  20 and name  HB1)   2.840    1.040    1.040  
assign (resid  12 and name   HA)   (resid  20 and name  HB2)   2.385    0.585    0.585  
assign (resid   3 and name   HN)   (resid  16 and name   HN)   2.805    1.005    1.005  
assign (resid   4 and name  HB#)   (resid   7 and name   HN)   3.220    1.420    1.420  
assign (resid   4 and name  HB#)   (resid  16 and name   HN)   3.650    1.850    1.850  
assign (resid  17 and name HG2#)   (resid  27 and name   HN)   3.325    1.525    1.525  
assign (resid   5 and name HG2#)   (resid  16 and name   HN)   3.615    1.815    1.815  
assign (resid  16 and name   HN)   (resid  17 and name HG2#)   3.650    1.850    1.850  
assign (resid   5 and name HG2#)   (resid  17 and name   HN)   2.555    0.755    0.755  
assign (resid  17 and name   HN)   (resid  17 and name HG2#)   2.695    0.895    0.895  
assign (resid  25 and name  HB2)   (resid  26 and name   HN)   3.020    1.220    1.220  
assign (resid   9 and name   HN)   (resid  25 and name  HB2)   3.650    1.850    1.850  
assign (resid  23 and name HD22)   (resid  25 and name  HB2)   2.945    1.145    1.145  
assign (resid  27 and name   HN)   (resid  28 and name  HD#)   3.310    1.510    1.510  
assign (resid   5 and name   HB)   (resid  17 and name   HN)   3.630    1.830    1.830  
assign (resid   5 and name   HB)   (resid  26 and name   HN)   3.535    1.735    1.735  
assign (resid   8 and name  HD#)   (resid  24 and name  HB1)   2.935    1.135    1.135  
assign (resid   8 and name  HE#)   (resid  24 and name  HB1)   2.825    1.025    1.025  
assign (resid   8 and name   HZ)   (resid  24 and name  HB1)   3.450    1.650    1.650  
assign (resid  19 and name HD21)   (resid  28 and name  HD#)   3.650    1.850    1.850  
assign (resid  19 and name HD22)   (resid  28 and name  HD#)   3.650    1.850    1.850  
assign (resid   5 and name   HB)   (resid  26 and name  HB1)   2.875    1.075    1.075  
assign (resid   5 and name   HB)   (resid  26 and name  HB2)   2.820    1.020    1.020  
assign (resid  27 and name  HB1)   (resid  28 and name  HD#)   2.390    0.590    0.590  
assign (resid  21 and name   HN)   (resid  25 and name  HB2)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid  25 and name  HB1)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid  26 and name  HB1)   3.115    1.315    1.315  
assign (resid   6 and name   HN)   (resid  26 and name  HB2)   2.655    0.855    0.855  
assign (resid   6 and name   HN)   (resid  26 and name   HA)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid  26 and name   HN)   2.970    1.170    1.170  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   2.585    0.785    0.785  
assign (resid  19 and name HD22)   (resid  29 and name   HA)   3.225    1.425    1.425  
assign (resid  19 and name HD21)   (resid  29 and name   HA)   2.965    1.165    1.165  
assign (resid  17 and name   HB)   (resid  19 and name   HN)   3.545    1.745    1.745  
assign (resid  16 and name   HA)   (resid  18 and name   HN)   3.275    1.475    1.475  
assign (resid  17 and name   HB)   (resid  27 and name   HN)   3.650    1.850    1.850  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.395    0.595    0.595  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.295    0.495    0.495  
assign (resid   7 and name   HN)   (resid  26 and name   HN)   3.230    1.430    1.430  
assign (resid   7 and name   HN)   (resid  25 and name   HA)   3.650    1.850    1.850  
assign (resid   7 and name   HN)   (resid  26 and name  HB1)   3.650    1.850    1.850  
assign (resid   3 and name HD1#)   (resid  10 and name   HN)   3.080    1.280    1.280  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   2.875    1.075    1.075  
assign (resid   2 and name  HB2)   (resid   3 and name   HN)   2.875    1.075    1.075  
assign (resid  17 and name   HN)   (resid  26 and name  HB2)   3.650    1.850    1.850  
assign (resid   7 and name   HN)   (resid  26 and name  HB2)   2.875    1.075    1.075  
assign (resid  22 and name  HB2)   (resid  23 and name   HN)   3.285    1.485    1.485  
assign (resid   8 and name   HA)   (resid  25 and name   HA)   3.250    1.450    1.450  
assign (resid   8 and name   HN)   (resid  25 and name   HA)   3.650    1.850    1.850  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   2.955    1.155    1.155  
assign (resid  19 and name  HB1)   (resid  19 and name HD22)   2.945    1.145    1.145  
assign (resid  30 and name   HN)   (resid  31 and name   HN)   2.835    1.035    1.035  
assign (resid   8 and name  HD#)   (resid   9 and name   HN)   3.520    1.720    1.720  
assign (resid   9 and name   HN)   (resid  24 and name  HB1)   2.905    1.105    1.105  
assign (resid   9 and name   HN)   (resid  10 and name HG2#)   3.500    1.700    1.700  
assign (resid   3 and name HD1#)   (resid   9 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  25 and name  HG2)   3.650    1.850    1.850  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.590    0.790    0.790  
assign (resid  18 and name   HN)   (resid  18 and name  HE#)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  25 and name   HA)   2.750    0.950    0.950  
assign (resid   4 and name   HA)   (resid  16 and name   HN)   3.290    1.490    1.490  
assign (resid   3 and name   HN)   (resid   4 and name   HA)   3.650    1.850    1.850  
assign (resid   3 and name HD1#)   (resid  16 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name HG11)   (resid  16 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name   HB)   (resid  16 and name   HN)   2.860    1.060    1.060  
assign (resid  25 and name  HG2)   (resid  26 and name   HN)   3.385    1.585    1.585  
assign (resid  13 and name   HN)   (resid  13 and name  HD#)   2.905    1.105    1.105  
assign (resid   3 and name HD1#)   (resid  14 and name   HN)   3.650    1.850    1.850  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   2.790    0.990    0.990  
assign (resid   3 and name HD1#)   (resid   8 and name  HD#)   3.500    1.700    1.700  
assign (resid  23 and name HD21)   (resid  25 and name  HG2)   3.620    1.820    1.820  
assign (resid   3 and name HG11)   (resid   4 and name   HN)   3.535    1.735    1.735  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   3.505    1.705    1.705  
assign (resid  12 and name   HN)   (resid  15 and name   HN)   3.650    1.850    1.850  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.635    0.835    0.835  
assign (resid   3 and name   HA)   (resid  16 and name   HN)   3.535    1.735    1.735  
assign (resid  12 and name  HB#)   (resid  20 and name   HN)   2.735    0.935    0.935  
assign (resid  12 and name   HA)   (resid  20 and name   HN)   2.505    0.705    0.705  
assign (resid  12 and name  HB#)   (resid  13 and name   HN)   2.570    0.770    0.770  
assign (resid  12 and name   HA)   (resid  15 and name   HN)   2.945    1.145    1.145  
assign (resid  24 and name   HA)   (resid  24 and name  HD#)   2.850    1.050    1.050  
assign (resid  12 and name  HB#)   (resid  19 and name   HN)   3.650    1.850    1.850  
assign (resid   8 and name  HE#)   (resid  24 and name   HA)   3.650    1.850    1.850  
assign (resid  12 and name   HN)   (resid  14 and name   HN)   3.650    1.850    1.850  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.730    0.930    0.930  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   2.750    0.950    0.950  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.705    0.905    0.905  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.705    0.905    0.905  
assign (resid  13 and name   HN)   (resid  13 and name  HG#)   2.605    0.805    0.805  
assign (resid   3 and name   HN)   (resid  15 and name  HB2)   3.650    1.850    1.850  
assign (resid  15 and name  HB2)   (resid  17 and name   HN)   3.175    1.375    1.375  
assign (resid  15 and name  HB1)   (resid  17 and name   HN)   2.535    0.735    0.735  
assign (resid  15 and name  HB2)   (resid  19 and name   HN)   2.860    1.060    1.060  
assign (resid  15 and name  HB1)   (resid  19 and name   HN)   2.930    1.130    1.130  
assign (resid  19 and name HD21)   (resid  27 and name  HB1)   3.100    1.300    1.300  
assign (resid  19 and name HD22)   (resid  27 and name  HB1)   2.930    1.130    1.130  
assign (resid  17 and name HG2#)   (resid  18 and name   HN)   3.560    1.760    1.760  
assign (resid  15 and name  HB2)   (resid  18 and name   HA)   2.895    1.095    1.095  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   3.585    1.785    1.785  
assign (resid  16 and name   HN)   (resid  18 and name   HN)   3.650    1.850    1.850  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.660    0.860    0.860  
assign (resid   3 and name   HN)   (resid  16 and name   HA)   3.650    1.850    1.850  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   2.715    0.915    0.915  
assign (resid  17 and name   HN)   (resid  19 and name   HN)   3.420    1.620    1.620  
assign (resid  15 and name   HA)   (resid  17 and name   HN)   3.220    1.420    1.420  
assign (resid  29 and name  HB1)   (resid  30 and name   HN)   3.175    1.375    1.375  
assign (resid  13 and name  HG#)   (resid  14 and name   HN)   3.015    1.215    1.215  
assign (resid  23 and name  HB1)   (resid  23 and name HD21)   2.640    0.840    0.840  
assign (resid  11 and name   HN)   (resid  11 and name HD2#)   3.650    1.850    1.850  
assign (resid  26 and name  HB2)   (resid  27 and name   HN)   3.495    1.695    1.695  
assign (resid   5 and name   HN)   (resid  26 and name  HB2)   3.630    1.830    1.830  
assign (resid  19 and name  HB2)   (resid  19 and name HD22)   2.945    1.145    1.145  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   3.365    1.565    1.565  
assign (resid  20 and name   HA)   (resid  26 and name   HA)   3.115    1.315    1.315  
assign (resid  20 and name   HA)   (resid  21 and name   HN)   2.340    0.540    0.540  
assign (resid  20 and name   HA)   (resid  27 and name   HN)   2.920    1.120    1.120  
assign (resid  12 and name   HN)   (resid  20 and name   HN)   3.490    1.690    1.690  
assign (resid  20 and name  HB2)   (resid  26 and name   HA)   3.650    1.850    1.850  
assign (resid  12 and name   HN)   (resid  20 and name  HB2)   3.095    1.295    1.295  
assign (resid  12 and name   HN)   (resid  20 and name  HB1)   3.195    1.395    1.395  
assign (resid  20 and name  HB2)   (resid  21 and name   HN)   3.525    1.725    1.725  
assign (resid  20 and name  HB1)   (resid  21 and name   HN)   3.530    1.730    1.730  
assign (resid  13 and name   HN)   (resid  20 and name  HB2)   3.650    1.850    1.850  
assign (resid  11 and name   HN)   (resid  20 and name  HB2)   3.650    1.850    1.850  
assign (resid  15 and name   HN)   (resid  20 and name  HB2)   3.650    1.850    1.850  
assign (resid  20 and name   HA)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid  21 and name  HA2)   (resid  27 and name HD21)   3.255    1.455    1.455  
assign (resid  21 and name  HA2)   (resid  23 and name   HN)   3.515    1.715    1.715  
assign (resid  21 and name  HA2)   (resid  27 and name HD22)   3.255    1.455    1.455  
assign (resid  21 and name  HA1)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid  21 and name   HN)   (resid  26 and name   HA)   2.965    1.165    1.165  
assign (resid  21 and name   HN)   (resid  25 and name   HN)   2.865    1.065    1.065  
assign (resid  21 and name   HN)   (resid  27 and name HD22)   3.100    1.300    1.300  
assign (resid  21 and name   HN)   (resid  27 and name HD21)   3.100    1.300    1.300  
assign (resid  21 and name   HN)   (resid  27 and name   HN)   3.205    1.405    1.405  
assign (resid  21 and name   HN)   (resid  25 and name  HB1)   3.650    1.850    1.850  
assign (resid  21 and name   HN)   (resid  27 and name  HB2)   3.350    1.550    1.550  
assign (resid  22 and name   HN)   (resid  22 and name  HD1)   2.860    1.060    1.060  
assign (resid  22 and name   HN)   (resid  23 and name   HN)   2.630    0.830    0.830  
assign (resid  22 and name  HB1)   (resid  24 and name   HN)   3.650    1.850    1.850  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   2.550    0.750    0.750  
assign (resid  23 and name  HB1)   (resid  24 and name   HN)   3.650    1.850    1.850  
assign (resid  23 and name  HB2)   (resid  23 and name HD21)   2.640    0.840    0.840  
assign (resid  23 and name  HB2)   (resid  24 and name   HN)   3.650    1.850    1.850  
assign (resid  23 and name   HN)   (resid  25 and name   HN)   3.195    1.395    1.395  
assign (resid  24 and name   HN)   (resid  25 and name  HB2)   3.650    1.850    1.850  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   3.565    1.765    1.765  
assign (resid  23 and name HD22)   (resid  25 and name   HN)   3.270    1.470    1.470  
assign (resid   5 and name   HN)   (resid  26 and name  HB1)   3.650    1.850    1.850  
assign (resid  17 and name   HN)   (resid  26 and name  HB1)   3.345    1.545    1.545  
assign (resid  27 and name  HB2)   (resid  27 and name HD22)   2.915    1.115    1.115  
assign (resid  27 and name  HB2)   (resid  27 and name HD21)   2.915    1.115    1.115  
assign (resid  29 and name  HB2)   (resid  30 and name   HN)   3.175    1.375    1.375  
assign (resid  27 and name  HB2)   (resid  28 and name  HD#)   3.205    1.405    1.405  
assign (resid  19 and name   HN)   (resid  27 and name   HN)   3.650    1.850    1.850  
assign (resid  29 and name   HA)   (resid  30 and name   HN)   2.425    0.625    0.625  
assign (resid  19 and name HD22)   (resid  30 and name   HN)   3.400    1.600    1.600  
assign (resid  19 and name HD21)   (resid  30 and name   HN)   3.390    1.590    1.590  
assign (resid  28 and name   HA)   (resid  29 and name  HD2)   2.480    0.680    0.680  
assign (resid  28 and name   HA)   (resid  29 and name  HD1)   2.480    0.680    0.680  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.355    0.555    0.555  
assign (resid   3 and name   HN)   (resid  15 and name   HA)   2.870    1.070    1.070  
assign (resid   3 and name   HN)   (resid   3 and name HG11)   2.405    0.605    0.605  
assign (resid   3 and name   HA)   (resid   3 and name HG11)   2.890    1.090    1.090  
assign (resid   3 and name   HA)   (resid   3 and name HG12)   2.795    0.995    0.995  
assign (resid   3 and name   HA)   (resid   3 and name HG2#)   2.460    0.660    0.660  
assign (resid   3 and name   HA)   (resid   3 and name HD1#)   2.905    1.105    1.105  
assign (resid   3 and name   HB)   (resid   3 and name HG11)   2.350    0.550    0.550  
assign (resid   3 and name   HB)   (resid   3 and name HD1#)   2.780    0.980    0.980  
assign (resid   3 and name HG2#)   (resid   3 and name HG11)   2.860    1.060    1.060  
assign (resid   3 and name HG2#)   (resid   3 and name HG12)   2.210    0.410    0.410  
assign (resid   3 and name HG2#)   (resid   3 and name HD1#)   2.350    0.550    0.550  
assign (resid   5 and name   HA)   (resid   5 and name   HB)   2.340    0.540    0.540  
assign (resid   5 and name   HA)   (resid   5 and name HG2#)   2.420    0.620    0.620  
assign (resid   5 and name   HB)   (resid   7 and name   HN)   3.490    1.690    1.690  
assign (resid   8 and name   HA)   (resid   8 and name  HD#)   2.650    0.850    0.850  
assign (resid   8 and name  HD#)   (resid  10 and name HG2#)   3.120    1.320    1.320  
assign (resid   8 and name  HE#)   (resid  10 and name HG2#)   2.745    0.945    0.945  
assign (resid   8 and name   HZ)   (resid  10 and name HG2#)   2.690    0.890    0.890  
assign (resid   8 and name   HZ)   (resid  24 and name  HB2)   3.650    1.850    1.850  
assign (resid   8 and name   HA)   (resid   8 and name  HE#)   3.340    1.540    1.540  
assign (resid   8 and name  HD#)   (resid   8 and name   HZ)   2.915    1.115    1.115  
assign (resid   8 and name  HE#)   (resid   8 and name   HZ)   2.100    0.300    0.300  
assign (resid   9 and name   HA)   (resid  11 and name   HN)   3.210    1.410    1.410  
assign (resid  10 and name   HA)   (resid  10 and name HG2#)   2.530    0.730    0.730  
assign (resid  11 and name   HA)   (resid  11 and name HD1#)   3.375    1.575    1.575  
assign (resid  11 and name   HA)   (resid  11 and name HD2#)   3.375    1.575    1.575  
assign (resid  12 and name   HA)   (resid  12 and name  HB#)   2.405    0.605    0.605  
assign (resid  13 and name   HA)   (resid  13 and name  HE#)   3.650    1.850    1.850  
assign (resid  13 and name   HA)   (resid  13 and name  HD#)   2.960    1.160    1.160  
assign (resid  13 and name  HB2)   (resid  13 and name  HE#)   3.650    1.850    1.850  
assign (resid  13 and name  HB1)   (resid  13 and name  HE#)   3.650    1.850    1.850  
assign (resid  13 and name  HB2)   (resid  14 and name   HN)   3.285    1.485    1.485  
assign (resid  13 and name  HB1)   (resid  14 and name   HN)   3.285    1.485    1.485  
assign (resid   3 and name HG2#)   (resid  16 and name   HN)   3.500    1.700    1.700  
assign (resid  17 and name   HA)   (resid  17 and name HG2#)   2.555    0.755    0.755  
assign (resid  17 and name   HN)   (resid  18 and name   HA)   3.605    1.805    1.805  
assign (resid  18 and name   HA)   (resid  18 and name  HE#)   3.375    1.575    1.575  
assign (resid  18 and name   HA)   (resid  18 and name  HD1)   3.200    1.400    1.400  
assign (resid  18 and name   HA)   (resid  18 and name  HG2)   3.005    1.205    1.205  
assign (resid  18 and name   HA)   (resid  18 and name  HG1)   3.005    1.205    1.205  
assign (resid  18 and name   HN)   (resid  18 and name  HG1)   3.160    1.360    1.360  
assign (resid   3 and name   HB)   (resid  15 and name   HN)   3.650    1.850    1.850  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.670    0.870    0.870  
assign (resid  19 and name   HA)   (resid  19 and name HD21)   3.565    1.765    1.765  
assign (resid  19 and name HD21)   (resid  28 and name   HA)   3.650    1.850    1.850  
assign (resid  19 and name HD21)   (resid  27 and name  HB2)   2.825    1.025    1.025  
assign (resid  19 and name HD22)   (resid  27 and name  HB2)   2.890    1.090    1.090  
assign (resid  19 and name   HA)   (resid  20 and name   HN)   2.390    0.590    0.590  
assign (resid  22 and name  HB1)   (resid  22 and name  HE3)   2.625    0.825    0.825  
assign (resid  22 and name   HA)   (resid  22 and name  HD1)   3.460    1.660    1.660  
assign (resid  21 and name  HA2)   (resid  22 and name  HD1)   3.520    1.720    1.720  
assign (resid  22 and name   HA)   (resid  24 and name   HN)   3.225    1.425    1.425  
assign (resid  23 and name HD22)   (resid  25 and name  HB1)   2.755    0.955    0.955  
assign (resid  24 and name   HA)   (resid  24 and name  HB1)   2.280    0.480    0.480  
assign (resid  24 and name   HA)   (resid  24 and name  HE#)   3.565    1.765    1.765  
assign (resid  24 and name  HD#)   (resid  24 and name   HZ)   2.820    1.020    1.020  
assign (resid  10 and name HG2#)   (resid  24 and name  HD#)   3.035    1.235    1.235  
assign (resid  10 and name HG2#)   (resid  24 and name  HE#)   3.450    1.650    1.650  
assign (resid  17 and name HG2#)   (resid  19 and name   HN)   3.540    1.740    1.740  
assign (resid  23 and name HD21)   (resid  25 and name  HB2)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  25 and name  HD2)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  25 and name  HD1)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  25 and name  HG2)   2.705    0.905    0.905  
assign (resid  25 and name  HB1)   (resid  25 and name  HE2)   3.650    1.850    1.850  
assign (resid  25 and name  HB2)   (resid  25 and name  HD2)   2.850    1.050    1.050  
assign (resid  25 and name  HB2)   (resid  25 and name  HD1)   2.850    1.050    1.050  
assign (resid  25 and name  HB2)   (resid  25 and name  HZ#)   3.650    1.850    1.850  
assign (resid  25 and name  HG2)   (resid  25 and name  HZ#)   3.650    1.850    1.850  
assign (resid  25 and name  HB1)   (resid  26 and name   HN)   2.995    1.195    1.195  
assign (resid   3 and name HG2#)   (resid  26 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name HG2#)   (resid   8 and name   HN)   3.225    1.425    1.425  
assign (resid  19 and name HD21)   (resid  27 and name   HN)   3.495    1.695    1.695  
assign (resid  19 and name HD22)   (resid  27 and name   HN)   3.650    1.850    1.850  
assign (resid  18 and name   HN)   (resid  18 and name  HD2)   3.515    1.715    1.715  
assign (resid  18 and name   HA)   (resid  18 and name  HD2)   3.200    1.400    1.400  
assign (resid  25 and name   HN)   (resid  25 and name  HG1)   3.035    1.235    1.235  
assign (resid  25 and name  HB1)   (resid  25 and name  HE1)   3.650    1.850    1.850  
assign (resid  16 and name   HN)   (resid  26 and name  HB1)   3.650    1.850    1.850  
assign (resid  12 and name   HA)   (resid  19 and name   HA)   3.330    1.530    1.530  
assign (resid   3 and name   HB)   (resid  15 and name   HA)   2.355    0.555    0.555  
assign (resid  26 and name   HA)   (resid  27 and name  HB2)   3.650    1.850    1.850  
assign (resid  19 and name   HA)   (resid  27 and name  HB2)   3.650    1.850    1.850  
assign (resid  20 and name  HB1)   (resid  26 and name   HA)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.650    0.850    0.850  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.465    0.665    0.665  
assign (resid   2 and name  HB#)   (resid  15 and name   HN)   3.570    1.770    1.770  
assign (resid   2 and name  HB#)   (resid  16 and name   HN)   2.675    0.875    0.875  
assign (resid   2 and name  HB#)   (resid  16 and name   HA)   2.475    0.675    0.675  
assign (resid   3 and name   HN)   (resid  14 and name  HA#)   3.570    1.770    1.770  
assign (resid   3 and name HG2#)   (resid   7 and name  HB#)   2.470    0.670    0.670  
assign (resid   3 and name HD1#)   (resid   9 and name  HB#)   3.470    1.670    1.670  
assign (resid   4 and name   HN)   (resid   7 and name  HB#)   3.050    1.250    1.250  
assign (resid   6 and name   HN)   (resid   7 and name  HB#)   3.570    1.770    1.770  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.395    0.595    0.595  
assign (resid   7 and name  HB#)   (resid   8 and name   HN)   2.415    0.615    0.615  
assign (resid   7 and name  HB#)   (resid   8 and name  HB#)   3.425    1.625    1.625  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   2.525    0.725    0.725  
assign (resid   9 and name  HB#)   (resid  11 and name   HN)   2.710    0.910    0.910  
assign (resid  10 and name   HN)   (resid  11 and name  HB#)   3.145    1.345    1.345  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.645    0.845    0.845  
assign (resid  11 and name   HN)   (resid  11 and name  HD#)   3.260    1.460    1.460  
assign (resid  11 and name   HA)   (resid  11 and name  HD#)   2.845    1.045    1.045  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.905    1.105    1.105  
assign (resid  11 and name  HD#)   (resid  12 and name   HN)   3.270    1.470    1.470  
assign (resid  11 and name  HD#)   (resid  13 and name   HN)   3.290    1.490    1.490  
assign (resid  11 and name  HD#)   (resid  14 and name   HN)   3.620    1.820    1.820  
assign (resid  13 and name   HN)   (resid  13 and name  HB#)   2.440    0.640    0.640  
assign (resid  13 and name  HB#)   (resid  13 and name  HE#)   3.315    1.515    1.515  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   3.000    1.200    1.200  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.535    0.735    0.735  
assign (resid  16 and name  HB#)   (resid  17 and name   HN)   2.720    0.920    0.920  
assign (resid  17 and name   HN)   (resid  18 and name  HG#)   3.570    1.770    1.770  
assign (resid  18 and name   HN)   (resid  18 and name  HG#)   2.740    0.940    0.940  
assign (resid  18 and name   HN)   (resid  18 and name  HD#)   3.115    1.315    1.315  
assign (resid  18 and name  HB#)   (resid  18 and name  HE#)   3.065    1.265    1.265  
assign (resid  19 and name   HN)   (resid  19 and name  HB#)   2.435    0.635    0.635  
assign (resid  19 and name  HB#)   (resid  19 and name HD21)   2.400    0.600    0.600  
assign (resid  19 and name  HB#)   (resid  19 and name HD22)   2.665    0.865    0.865  
assign (resid  19 and name  HB#)   (resid  27 and name   HN)   3.240    1.440    1.440  
assign (resid  19 and name  HB#)   (resid  29 and name   HA)   2.990    1.190    1.190  
assign (resid  19 and name  HB#)   (resid  30 and name   HN)   3.490    1.690    1.690  
assign (resid  21 and name  HA2)   (resid  27 and name HD2#)   2.960    1.160    1.160  
assign (resid  21 and name  HA1)   (resid  27 and name HD2#)   2.720    0.920    0.920  
assign (resid  22 and name   HN)   (resid  27 and name HD2#)   3.570    1.770    1.770  
assign (resid  23 and name   HN)   (resid  23 and name  HB#)   2.620    0.820    0.820  
assign (resid  23 and name  HB#)   (resid  23 and name HD21)   2.410    0.610    0.610  
assign (resid  23 and name  HB#)   (resid  23 and name HD22)   2.700    0.900    0.900  
assign (resid  23 and name  HB#)   (resid  25 and name   HN)   3.570    1.770    1.770  
assign (resid  23 and name HD21)   (resid  25 and name  HD#)   2.935    1.135    1.135  
assign (resid  23 and name HD22)   (resid  25 and name  HD#)   3.105    1.305    1.305  
assign (resid  23 and name HD22)   (resid  25 and name  HE#)   3.570    1.770    1.770  
assign (resid  25 and name   HN)   (resid  25 and name  HD#)   3.050    1.250    1.250  
assign (resid  25 and name   HN)   (resid  25 and name  HE#)   3.570    1.770    1.770  
assign (resid  25 and name   HA)   (resid  25 and name  HE#)   3.570    1.770    1.770  
assign (resid  25 and name  HB2)   (resid  25 and name  HE#)   3.210    1.410    1.410  
assign (resid  25 and name  HB1)   (resid  25 and name  HD#)   2.615    0.815    0.815  
assign (resid  27 and name   HN)   (resid  27 and name HD2#)   3.570    1.770    1.770  
assign (resid  27 and name   HA)   (resid  28 and name  HG#)   3.340    1.540    1.540  
assign (resid  27 and name  HB2)   (resid  27 and name HD2#)   2.560    0.760    0.760  
assign (resid  28 and name   HA)   (resid  29 and name  HD#)   2.260    0.460    0.460  
assign (resid  28 and name  HB#)   (resid  29 and name  HD#)   2.505    0.705    0.705  
assign (resid  29 and name  HB#)   (resid  30 and name   HN)   2.850    1.050    1.050  
assign (resid  29 and name  HB#)   (resid  31 and name   HN)   3.570    1.770    1.770  
assign (resid  29 and name  HD#)   (resid  30 and name   HN)   3.380    1.580    1.580  
assign (resid  30 and name   HN)   (resid  30 and name  HB#)   2.660    0.860    0.860  
assign (resid  31 and name   HN)   (resid  31 and name  HB#)   2.680    0.880    0.880  
assign (resid  31 and name   HN)   (resid  31 and name HE2#)   3.070    1.270    1.270  
assign (resid  31 and name  HB#)   (resid  31 and name  HG#)   2.115    0.315    0.315  
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1 -12.383  -8.465  -2.862
    2    H2   GLY   1           HT2      GLY   1 -11.763  -7.880  -1.377
    3    H3   GLY   1           HT3      GLY   1 -10.791  -8.828  -2.378
    4    HA2  GLY   1           HA1      GLY   1 -10.722  -7.143  -4.010
    5    HA3  GLY   1           HA2      GLY   1 -11.822  -6.166  -3.034
    6    H    CYS   2           HN       CYS   2  -9.221  -5.377  -3.815
    7    HA   CYS   2           HA       CYS   2  -7.986  -5.194  -1.161
    8    HB2  CYS   2           HB2      CYS   2  -5.797  -5.354  -2.182
    9    HB3  CYS   2           HB1      CYS   2  -6.727  -6.780  -2.645
   10    H    ILE   3           HN       ILE   3  -6.347  -3.305  -1.354
   11    HA   ILE   3           HA       ILE   3  -7.628  -1.083  -2.692
   12    HB   ILE   3           HB       ILE   3  -5.076  -1.138  -1.058
   13   HG12  ILE   3          HG12      ILE   3  -7.871  -0.412  -0.180
   14   HG13  ILE   3          HG11      ILE   3  -7.027  -1.896   0.253
   15   HG21  ILE   3          HG21      ILE   3  -5.482   1.297  -0.829
   16   HG22  ILE   3          HG22      ILE   3  -6.881   1.147  -1.897
   17   HG23  ILE   3          HG23      ILE   3  -5.261   0.807  -2.509
   18   HD11  ILE   3          HD11      ILE   3  -5.324  -0.562   1.404
   19   HD12  ILE   3          HD12      ILE   3  -6.942  -0.324   2.061
   20   HD13  ILE   3          HD13      ILE   3  -6.233   0.899   1.001
   21    H    ALA   4           HN       ALA   4  -6.896  -0.296  -4.554
   22    HA   ALA   4           HA       ALA   4  -4.959  -1.739  -6.060
   23    HB1  ALA   4           HB1      ALA   4  -6.306   0.896  -6.656
   24    HB2  ALA   4           HB2      ALA   4  -6.902  -0.696  -7.129
   25    HB3  ALA   4           HB3      ALA   4  -5.395  -0.080  -7.808
   26    H    THR   5           HN       THR   5  -2.946  -0.934  -6.818
   27    HA   THR   5           HA       THR   5  -1.707   0.563  -4.783
   28    HB   THR   5           HB       THR   5   0.361   0.201  -5.978
   29    HG1  THR   5           HG1      THR   5  -0.720   0.066  -8.126
   30   HG21  THR   5          HG21      THR   5  -0.384  -1.401  -4.371
   31   HG22  THR   5          HG22      THR   5   0.368  -2.258  -5.719
   32   HG23  THR   5          HG23      THR   5  -1.388  -2.205  -5.574
   33    H    GLY   6           HN       GLY   6  -0.890   2.502  -4.785
   34    HA2  GLY   6           HA2      GLY   6  -0.471   4.652  -5.766
   35    HA3  GLY   6           HA1      GLY   6  -1.631   4.248  -7.033
   36    H    SER   7           HN       SER   7  -3.296   3.016  -4.744
   37    HA   SER   7           HA       SER   7  -4.689   5.460  -4.115
   38    HB2  SER   7           HB2      SER   7  -5.467   2.576  -3.673
   39    HB3  SER   7           HB1      SER   7  -6.518   3.979  -3.459
   40    HG   SER   7           HG       SER   7  -5.365   4.080  -5.855
   41    H    PHE   8           HN       PHE   8  -5.539   5.742  -1.955
   42    HA   PHE   8           HA       PHE   8  -3.516   5.763   0.018
   43    HB2  PHE   8           HB2      PHE   8  -5.163   7.542  -0.210
   44    HB3  PHE   8           HB1      PHE   8  -6.470   6.413   0.088
   45    HD1  PHE   8           HD1      PHE   8  -3.562   8.085   1.648
   46    HD2  PHE   8           HD2      PHE   8  -7.204   5.980   2.280
   47    HE1  PHE   8           HE1      PHE   8  -3.493   8.684   4.024
   48    HE2  PHE   8           HE2      PHE   8  -7.139   6.567   4.667
   49    HZ   PHE   8           HZ       PHE   8  -5.280   7.927   5.544
   50    H    CYS   9           HN       CYS   9  -3.156   4.400   1.655
   51    HA   CYS   9           HA       CYS   9  -5.091   2.193   2.101
   52    HB2  CYS   9           HB2      CYS   9  -3.340   0.720   2.523
   53    HB3  CYS   9           HB1      CYS   9  -2.672   1.704   1.223
   54    H    THR  10           HN       THR  10  -5.315   1.490   4.326
   55    HA   THR  10           HA       THR  10  -4.243   3.398   6.236
   56    HB   THR  10           HB       THR  10  -5.911   2.360   7.851
   57    HG1  THR  10           HG1      THR  10  -7.605   1.167   6.891
   58   HG21  THR  10          HG21      THR  10  -7.858   3.535   6.901
   59   HG22  THR  10          HG22      THR  10  -7.044   3.594   5.337
   60   HG23  THR  10          HG23      THR  10  -6.378   4.477   6.705
   61    H    LEU  11           HN       LEU  11  -4.250   0.112   5.165
   62    HA   LEU  11           HA       LEU  11  -1.920  -0.476   6.810
   63    HB2  LEU  11           HB2      LEU  11  -4.324  -2.281   6.467
   64    HB3  LEU  11           HB1      LEU  11  -2.793  -2.783   7.138
   65    HG   LEU  11           HG       LEU  11  -4.625  -0.725   8.383
   66   HD11  LEU  11          HD11      LEU  11  -4.143  -3.616   9.099
   67   HD12  LEU  11          HD12      LEU  11  -5.621  -2.950   8.403
   68   HD13  LEU  11          HD13      LEU  11  -5.116  -2.472  10.024
   69   HD21  LEU  11          HD21      LEU  11  -2.276  -0.390   8.971
   70   HD22  LEU  11          HD22      LEU  11  -2.135  -2.086   9.427
   71   HD23  LEU  11          HD23      LEU  11  -3.179  -1.009  10.352
   72    H    SER  12           HN       SER  12  -0.436  -1.757   5.714
   73    HA   SER  12           HA       SER  12  -0.346  -1.818   2.931
   74    HB2  SER  12           HB2      SER  12   1.501  -3.490   3.380
   75    HB3  SER  12           HB1      SER  12   1.655  -1.919   4.182
   76    HG   SER  12           HG       SER  12   1.514  -4.365   5.257
   77    H    LYS  13           HN       LYS  13  -1.584  -4.024   5.216
   78    HA   LYS  13           HA       LYS  13  -1.782  -6.469   3.897
   79    HB2  LYS  13           HB2      LYS  13  -3.673  -5.225   5.881
   80    HB3  LYS  13           HB1      LYS  13  -3.799  -6.877   5.323
   81    HG2  LYS  13           HG2      LYS  13  -2.805  -6.888   7.443
   82    HG3  LYS  13           HG1      LYS  13  -1.558  -7.285   6.247
   83    HD2  LYS  13           HD2      LYS  13  -0.636  -5.058   6.437
   84    HD3  LYS  13           HD1      LYS  13  -1.955  -4.571   7.502
   85    HE2  LYS  13           HE2      LYS  13   0.102  -5.051   8.754
   86    HE3  LYS  13           HE1      LYS  13  -1.212  -6.138   9.194
   87    HZ1  LYS  13           HZ1      LYS  13   1.006  -6.804   7.329
   88    HZ2  LYS  13           HZ2      LYS  13  -0.210  -7.864   7.828
   89    HZ3  LYS  13           HZ3      LYS  13   0.903  -7.278   8.932
   90    H    GLY  14           HN       GLY  14  -3.855  -3.715   3.856
   91    HA2  GLY  14           HA2      GLY  14  -6.013  -4.889   2.414
   92    HA3  GLY  14           HA1      GLY  14  -5.753  -3.168   2.644
   93    H    CYS  15           HN       CYS  15  -3.007  -3.630   1.392
   94    HA   CYS  15           HA       CYS  15  -3.832  -2.888  -1.272
   95    HB2  CYS  15           HB2      CYS  15  -1.063  -3.347  -0.180
   96    HB3  CYS  15           HB1      CYS  15  -1.507  -2.418  -1.606
   97    H    CYS  16           HN       CYS  16  -3.619  -4.168  -3.119
   98    HA   CYS  16           HA       CYS  16  -3.407  -6.930  -2.859
   99    HB2  CYS  16           HB2      CYS  16  -3.378  -5.147  -5.226
  100    HB3  CYS  16           HB1      CYS  16  -2.709  -6.756  -5.464
  101    H    THR  17           HN       THR  17  -0.749  -4.626  -3.448
  102    HA   THR  17           HA       THR  17   1.123  -6.668  -3.971
  103    HB   THR  17           HB       THR  17   2.680  -4.714  -3.516
  104    HG1  THR  17           HG1      THR  17   1.755  -2.789  -3.161
  105   HG21  THR  17          HG21      THR  17   0.492  -4.519  -5.592
  106   HG22  THR  17          HG22      THR  17   2.041  -5.353  -5.783
  107   HG23  THR  17          HG23      THR  17   1.985  -3.594  -5.621
  108    H    LYS  18           HN       LYS  18  -0.415  -5.813  -1.072
  109    HA   LYS  18           HA       LYS  18  -0.011  -6.015   1.127
  110    HB2  LYS  18           HB2      LYS  18   2.039  -7.975   0.098
  111    HB3  LYS  18           HB1      LYS  18   1.811  -7.696   1.815
  112    HG2  LYS  18           HG2      LYS  18  -0.329  -8.634  -0.079
  113    HG3  LYS  18           HG1      LYS  18   0.613  -9.677   0.989
  114    HD2  LYS  18           HD2      LYS  18  -0.233  -8.373   2.931
  115    HD3  LYS  18           HD1      LYS  18  -1.253  -7.451   1.828
  116    HE2  LYS  18           HE2      LYS  18  -2.487  -9.239   2.940
  117    HE3  LYS  18           HE1      LYS  18  -2.435  -9.472   1.196
  118    HZ1  LYS  18           HZ1      LYS  18  -2.018 -11.510   2.466
  119    HZ2  LYS  18           HZ2      LYS  18  -0.627 -10.817   3.127
  120    HZ3  LYS  18           HZ3      LYS  18  -0.725 -11.105   1.464
  121    H    ASN  19           HN       ASN  19   1.437  -4.030  -0.478
  122    HA   ASN  19           HA       ASN  19   3.344  -3.269   1.591
  123    HB2  ASN  19           HB2      ASN  19   4.654  -4.234  -0.263
  124    HB3  ASN  19           HB1      ASN  19   3.895  -3.106  -1.382
  125   HD21  ASN  19          HD21      ASN  19   5.842  -2.091  -1.960
  126   HD22  ASN  19          HD22      ASN  19   6.677  -1.078  -0.859
  127    H    CYS  20           HN       CYS  20   2.824  -1.330   2.285
  128    HA   CYS  20           HA       CYS  20   1.860   0.598   0.346
  129    HB2  CYS  20           HB2      CYS  20  -0.054  -0.152   1.712
  130    HB3  CYS  20           HB1      CYS  20   0.836   0.253   3.179
  131    H    GLY  21           HN       GLY  21   2.768   2.591   0.566
  132    HA2  GLY  21           HA2      GLY  21   5.267   2.552   1.966
  133    HA3  GLY  21           HA1      GLY  21   4.662   3.810   0.903
  134    H    TRP  22           HN       TRP  22   5.971   4.614   3.045
  135    HA   TRP  22           HA       TRP  22   4.449   5.071   5.349
  136    HB2  TRP  22           HB2      TRP  22   6.135   6.692   5.881
  137    HB3  TRP  22           HB1      TRP  22   6.957   5.266   5.334
  138    HD1  TRP  22           HD1      TRP  22   7.330   5.686   2.300
  139    HE1  TRP  22           HE1      TRP  22   8.528   7.732   1.328
  140    HE3  TRP  22           HE3      TRP  22   6.910   8.697   6.272
  141    HZ2  TRP  22           HZ2      TRP  22   9.238  10.353   2.192
  142    HZ3  TRP  22           HZ3      TRP  22   7.883  11.010   6.187
  143    HH2  TRP  22           HH2      TRP  22   9.024  11.794   4.169
  144    H    ASN  23           HN       ASN  23   4.258   6.329   2.238
  145    HA   ASN  23           HA       ASN  23   3.200   8.919   2.951
  146    HB2  ASN  23           HB2      ASN  23   3.006   9.297   0.582
  147    HB3  ASN  23           HB1      ASN  23   4.585   8.601   0.920
  148   HD21  ASN  23          HD21      ASN  23   3.103   8.688  -1.558
  149   HD22  ASN  23          HD22      ASN  23   2.920   7.054  -2.080
  150    H    PHE  24           HN       PHE  24   2.058   5.899   3.090
  151    HA   PHE  24           HA       PHE  24   0.064   4.989   3.458
  152    HB2  PHE  24           HB2      PHE  24  -0.894   7.839   3.369
  153    HB3  PHE  24           HB1      PHE  24  -1.994   6.489   3.626
  154    HD1  PHE  24           HD1      PHE  24   0.673   8.517   5.064
  155    HD2  PHE  24           HD2      PHE  24  -1.897   5.179   5.646
  156    HE1  PHE  24           HE1      PHE  24   1.213   8.522   7.460
  157    HE2  PHE  24           HE2      PHE  24  -1.361   5.177   8.038
  158    HZ   PHE  24           HZ       PHE  24   0.193   6.848   8.949
  159    H    LYS  25           HN       LYS  25   1.125   5.321   0.759
  160    HA   LYS  25           HA       LYS  25  -1.402   4.691  -0.585
  161    HB2  LYS  25           HB2      LYS  25   1.096   5.907  -1.658
  162    HB3  LYS  25           HB1      LYS  25  -0.210   5.339  -2.706
  163    HG2  LYS  25           HG2      LYS  25  -1.687   7.023  -1.756
  164    HG3  LYS  25           HG1      LYS  25  -0.418   7.526  -0.635
  165    HD2  LYS  25           HD2      LYS  25   0.995   8.138  -2.550
  166    HD3  LYS  25           HD1      LYS  25  -0.317   7.697  -3.644
  167    HE2  LYS  25           HE2      LYS  25  -1.714   9.428  -2.751
  168    HE3  LYS  25           HE1      LYS  25  -0.536   9.775  -1.484
  169    HZ1  LYS  25           HZ1      LYS  25   1.015  10.467  -3.197
  170    HZ2  LYS  25           HZ2      LYS  25  -0.383  11.395  -3.225
  171    HZ3  LYS  25           HZ3      LYS  25  -0.143  10.201  -4.392
  172    H    CYS  26           HN       CYS  26  -1.448   2.787  -1.676
  173    HA   CYS  26           HA       CYS  26   0.333   0.783  -0.824
  174    HB2  CYS  26           HB2      CYS  26  -1.751   0.785  -2.985
  175    HB3  CYS  26           HB1      CYS  26  -0.955  -0.674  -2.373
  176    H    ASN  27           HN       ASN  27   2.157   0.002  -1.710
  177    HA   ASN  27           HA       ASN  27   3.035   1.212  -4.238
  178    HB2  ASN  27           HB2      ASN  27   4.668   0.523  -1.781
  179    HB3  ASN  27           HB1      ASN  27   5.384   0.900  -3.337
  180   HD21  ASN  27          HD21      ASN  27   5.751   2.239  -0.851
  181   HD22  ASN  27          HD22      ASN  27   5.217   3.867  -1.072
  182    HA   HYP  28           HA       HYP  28   3.827  -2.944  -5.685
  183    HB2  HYP  28           HB1      HYP  28   5.095  -2.702  -7.631
  184    HB3  HYP  28           HB2      HYP  28   6.315  -1.715  -6.816
  185    HG   HYP  28           HG       HYP  28   5.056  -0.136  -8.081
  186   HD22  HYP  28          HD11      HYP  28   3.397   0.645  -6.109
  187   HD23  HYP  28          HD12      HYP  28   5.158   0.751  -5.882
  188    HD1  HYP  28           HD2      HYP  28   2.748  -0.177  -7.819
  189    HA   HYP  29           HA       HYP  29   6.890  -4.711  -2.991
  190    HB2  HYP  29           HB1      HYP  29   6.718  -6.925  -3.418
  191    HB3  HYP  29           HB2      HYP  29   7.604  -6.737  -4.940
  192    HG   HYP  29           HG       HYP  29   5.372  -7.305  -5.681
  193   HD22  HYP  29          HD11      HYP  29   4.468  -4.884  -6.155
  194   HD23  HYP  29          HD12      HYP  29   6.132  -5.212  -6.713
  195    HD1  HYP  29           HD2      HYP  29   4.515  -5.441  -3.839
  196    H    ASN  30           HN       ASN  30   9.006  -4.546  -2.615
  197    HA   ASN  30           HA       ASN  30  11.093  -3.821  -2.767
  198    HB2  ASN  30           HB2      ASN  30  11.477  -5.950  -3.933
  199    HB3  ASN  30           HB1      ASN  30  11.049  -5.206  -5.467
  200   HD21  ASN  30          HD21      ASN  30  13.057  -5.776  -6.327
  201   HD22  ASN  30          HD22      ASN  30  14.510  -4.952  -5.897
  202    H    GLN  31           HN       GLN  31  10.127  -1.792  -2.766
  203    HA   GLN  31           HA       GLN  31  10.978  -0.179  -5.066
  204    HB2  GLN  31           HB2      GLN  31   8.433   0.136  -3.452
  205    HB3  GLN  31           HB1      GLN  31   9.052   1.363  -4.544
  206    HG2  GLN  31           HG2      GLN  31   8.346  -1.427  -5.399
  207    HG3  GLN  31           HG1      GLN  31   7.226  -0.071  -5.458
  208   HE21  GLN  31          HE21      GLN  31  10.127  -1.434  -6.786
  209   HE22  GLN  31          HE22      GLN  31  10.154  -0.460  -8.223
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1 -11.450  -8.336  -1.931
    2    H2   GLY   1           HT2      GLY   1 -12.729  -8.151  -3.022
    3    H3   GLY   1           HT3      GLY   1 -12.478  -7.004  -1.801
    4    HA2  GLY   1           HA1      GLY   1 -10.675  -7.571  -4.037
    5    HA3  GLY   1           HA2      GLY   1 -11.734  -6.168  -3.910
    6    H    CYS   2           HN       CYS   2  -8.777  -6.362  -4.078
    7    HA   CYS   2           HA       CYS   2  -7.943  -5.383  -1.462
    8    HB2  CYS   2           HB2      CYS   2  -5.651  -5.595  -2.438
    9    HB3  CYS   2           HB1      CYS   2  -6.539  -7.115  -2.400
   10    H    ILE   3           HN       ILE   3  -6.526  -3.462  -1.444
   11    HA   ILE   3           HA       ILE   3  -7.673  -1.365  -3.034
   12    HB   ILE   3           HB       ILE   3  -5.410  -1.253  -1.010
   13   HG12  ILE   3          HG12      ILE   3  -8.347  -0.618  -0.663
   14   HG13  ILE   3          HG11      ILE   3  -7.546  -2.061  -0.054
   15   HG21  ILE   3          HG21      ILE   3  -5.918   1.159  -0.924
   16   HG22  ILE   3          HG22      ILE   3  -7.100   0.943  -2.217
   17   HG23  ILE   3          HG23      ILE   3  -5.390   0.647  -2.528
   18   HD11  ILE   3          HD11      ILE   3  -6.946   0.769   0.757
   19   HD12  ILE   3          HD12      ILE   3  -6.152  -0.677   1.382
   20   HD13  ILE   3          HD13      ILE   3  -7.869  -0.408   1.690
   21    H    ALA   4           HN       ALA   4  -6.930  -0.758  -4.905
   22    HA   ALA   4           HA       ALA   4  -4.694  -1.947  -6.125
   23    HB1  ALA   4           HB1      ALA   4  -5.126  -0.418  -7.986
   24    HB2  ALA   4           HB2      ALA   4  -6.256   0.486  -6.979
   25    HB3  ALA   4           HB3      ALA   4  -6.608  -1.186  -7.423
   26    H    THR   5           HN       THR   5  -2.746  -1.009  -6.765
   27    HA   THR   5           HA       THR   5  -1.676   0.576  -4.727
   28    HB   THR   5           HB       THR   5   0.429   0.384  -5.923
   29    HG1  THR   5           HG1      THR   5   0.462  -0.855  -7.855
   30   HG21  THR   5          HG21      THR   5  -1.154  -2.153  -5.661
   31   HG22  THR   5          HG22      THR   5  -0.258  -1.324  -4.386
   32   HG23  THR   5          HG23      THR   5   0.602  -2.053  -5.742
   33    H    GLY   6           HN       GLY   6  -0.815   2.597  -4.763
   34    HA2  GLY   6           HA2      GLY   6  -0.546   4.754  -5.738
   35    HA3  GLY   6           HA1      GLY   6  -1.781   4.334  -6.926
   36    H    SER   7           HN       SER   7  -3.320   3.067  -4.633
   37    HA   SER   7           HA       SER   7  -4.721   5.495  -3.936
   38    HB2  SER   7           HB2      SER   7  -5.474   2.604  -3.525
   39    HB3  SER   7           HB1      SER   7  -6.511   3.986  -3.167
   40    HG   SER   7           HG       SER   7  -5.496   3.205  -5.716
   41    H    PHE   8           HN       PHE   8  -5.591   5.731  -1.736
   42    HA   PHE   8           HA       PHE   8  -3.522   5.889   0.151
   43    HB2  PHE   8           HB2      PHE   8  -5.353   7.490   0.099
   44    HB3  PHE   8           HB1      PHE   8  -6.509   6.218   0.445
   45    HD1  PHE   8           HD1      PHE   8  -3.615   8.040   1.878
   46    HD2  PHE   8           HD2      PHE   8  -7.091   5.715   2.647
   47    HE1  PHE   8           HE1      PHE   8  -3.408   8.531   4.259
   48    HE2  PHE   8           HE2      PHE   8  -6.880   6.202   5.041
   49    HZ   PHE   8           HZ       PHE   8  -5.028   7.615   5.849
   50    H    CYS   9           HN       CYS   9  -2.826   4.528   1.615
   51    HA   CYS   9           HA       CYS   9  -4.468   2.181   2.248
   52    HB2  CYS   9           HB2      CYS   9  -2.399   0.950   2.613
   53    HB3  CYS   9           HB1      CYS   9  -2.486   1.577   0.972
   54    H    THR  10           HN       THR  10  -4.802   1.730   4.335
   55    HA   THR  10           HA       THR  10  -3.383   3.307   6.319
   56    HB   THR  10           HB       THR  10  -5.210   2.402   7.855
   57    HG1  THR  10           HG1      THR  10  -7.053   1.591   6.843
   58   HG21  THR  10          HG21      THR  10  -5.249   4.686   7.036
   59   HG22  THR  10          HG22      THR  10  -6.888   4.025   7.013
   60   HG23  THR  10          HG23      THR  10  -5.966   4.149   5.521
   61    H    LEU  11           HN       LEU  11  -4.076   0.097   5.151
   62    HA   LEU  11           HA       LEU  11  -2.073  -1.016   6.962
   63    HB2  LEU  11           HB2      LEU  11  -4.719  -2.274   6.217
   64    HB3  LEU  11           HB1      LEU  11  -3.455  -3.051   7.141
   65    HG   LEU  11           HG       LEU  11  -5.012  -0.627   8.051
   66   HD11  LEU  11          HD11      LEU  11  -5.246  -3.521   8.835
   67   HD12  LEU  11          HD12      LEU  11  -6.430  -2.588   7.919
   68   HD13  LEU  11          HD13      LEU  11  -6.094  -2.181   9.602
   69   HD21  LEU  11          HD21      LEU  11  -4.006  -1.104  10.238
   70   HD22  LEU  11          HD22      LEU  11  -2.779  -0.730   9.031
   71   HD23  LEU  11          HD23      LEU  11  -3.056  -2.404   9.518
   72    H    SER  12           HN       SER  12  -0.677  -2.363   5.931
   73    HA   SER  12           HA       SER  12  -0.422  -2.344   3.133
   74    HB2  SER  12           HB2      SER  12   1.283  -4.141   3.641
   75    HB3  SER  12           HB1      SER  12   1.515  -2.590   4.454
   76    HG   SER  12           HG       SER  12   1.491  -3.683   6.200
   77    H    LYS  13           HN       LYS  13  -1.925  -4.471   5.277
   78    HA   LYS  13           HA       LYS  13  -1.966  -6.845   3.734
   79    HB2  LYS  13           HB2      LYS  13  -3.805  -6.038   5.990
   80    HB3  LYS  13           HB1      LYS  13  -3.646  -7.659   5.338
   81    HG2  LYS  13           HG2      LYS  13  -2.240  -7.881   7.118
   82    HG3  LYS  13           HG1      LYS  13  -1.138  -7.209   5.897
   83    HD2  LYS  13           HD2      LYS  13  -1.410  -4.959   6.846
   84    HD3  LYS  13           HD1      LYS  13  -2.546  -5.597   8.031
   85    HE2  LYS  13           HE2      LYS  13  -0.380  -5.265   9.030
   86    HE3  LYS  13           HE1      LYS  13  -0.730  -6.987   8.944
   87    HZ1  LYS  13           HZ1      LYS  13   1.547  -6.426   8.315
   88    HZ2  LYS  13           HZ2      LYS  13   1.013  -5.513   7.020
   89    HZ3  LYS  13           HZ3      LYS  13   0.757  -7.184   7.047
   90    H    GLY  14           HN       GLY  14  -3.821  -4.081   3.752
   91    HA2  GLY  14           HA2      GLY  14  -6.112  -5.222   2.343
   92    HA3  GLY  14           HA1      GLY  14  -5.906  -3.528   2.763
   93    H    CYS  15           HN       CYS  15  -3.117  -3.862   1.474
   94    HA   CYS  15           HA       CYS  15  -3.932  -2.814  -1.088
   95    HB2  CYS  15           HB2      CYS  15  -1.213  -3.343   0.074
   96    HB3  CYS  15           HB1      CYS  15  -1.517  -2.471  -1.425
   97    H    CYS  16           HN       CYS  16  -3.419  -3.687  -3.113
   98    HA   CYS  16           HA       CYS  16  -3.519  -6.479  -3.332
   99    HB2  CYS  16           HB2      CYS  16  -2.726  -4.474  -5.447
  100    HB3  CYS  16           HB1      CYS  16  -3.235  -6.137  -5.733
  101    H    THR  17           HN       THR  17  -0.717  -4.300  -3.220
  102    HA   THR  17           HA       THR  17   1.101  -6.444  -3.906
  103    HB   THR  17           HB       THR  17   2.739  -4.601  -3.298
  104    HG1  THR  17           HG1      THR  17   1.866  -2.557  -3.136
  105   HG21  THR  17          HG21      THR  17   0.732  -4.200  -5.516
  106   HG22  THR  17          HG22      THR  17   2.226  -5.144  -5.611
  107   HG23  THR  17          HG23      THR  17   2.288  -3.389  -5.405
  108    H    LYS  18           HN       LYS  18  -0.638  -5.704  -1.207
  109    HA   LYS  18           HA       LYS  18  -0.427  -5.610   0.968
  110    HB2  LYS  18           HB2      LYS  18   1.534  -7.789   0.315
  111    HB3  LYS  18           HB1      LYS  18   1.080  -7.390   1.969
  112    HG2  LYS  18           HG2      LYS  18  -1.256  -7.856   1.450
  113    HG3  LYS  18           HG1      LYS  18  -0.812  -8.241  -0.214
  114    HD2  LYS  18           HD2      LYS  18   0.512 -10.077   0.502
  115    HD3  LYS  18           HD1      LYS  18   0.287  -9.622   2.198
  116    HE2  LYS  18           HE2      LYS  18  -1.160 -11.511   1.621
  117    HE3  LYS  18           HE1      LYS  18  -2.115 -10.082   1.989
  118    HZ1  LYS  18           HZ1      LYS  18  -1.493 -11.053  -0.760
  119    HZ2  LYS  18           HZ2      LYS  18  -2.449  -9.722  -0.367
  120    HZ3  LYS  18           HZ3      LYS  18  -2.958 -11.237   0.040
  121    H    ASN  19           HN       ASN  19   1.279  -3.754  -0.521
  122    HA   ASN  19           HA       ASN  19   3.189  -3.160   1.634
  123    HB2  ASN  19           HB2      ASN  19   4.428  -3.712  -0.393
  124    HB3  ASN  19           HB1      ASN  19   3.459  -2.571  -1.319
  125   HD21  ASN  19          HD21      ASN  19   5.207  -1.349  -1.933
  126   HD22  ASN  19          HD22      ASN  19   6.084  -0.341  -0.842
  127    H    CYS  20           HN       CYS  20   2.641  -1.467   2.729
  128    HA   CYS  20           HA       CYS  20   1.171   0.700   1.412
  129    HB2  CYS  20           HB2      CYS  20  -0.120  -0.392   3.227
  130    HB3  CYS  20           HB1      CYS  20   1.222  -0.137   4.335
  131    H    GLY  21           HN       GLY  21   2.350   2.539   1.278
  132    HA2  GLY  21           HA2      GLY  21   4.989   2.454   2.535
  133    HA3  GLY  21           HA1      GLY  21   4.481   3.489   1.204
  134    H    TRP  22           HN       TRP  22   5.859   4.776   3.034
  135    HA   TRP  22           HA       TRP  22   4.196   5.812   5.113
  136    HB2  TRP  22           HB2      TRP  22   6.137   7.433   5.314
  137    HB3  TRP  22           HB1      TRP  22   6.503   5.834   5.839
  138    HD1  TRP  22           HD1      TRP  22   7.947   4.378   3.755
  139    HE1  TRP  22           HE1      TRP  22   9.787   5.346   2.237
  140    HE3  TRP  22           HE3      TRP  22   6.875   9.152   4.399
  141    HZ2  TRP  22           HZ2      TRP  22  10.680   7.933   1.428
  142    HZ3  TRP  22           HZ3      TRP  22   8.251  10.953   3.236
  143    HH2  TRP  22           HH2      TRP  22  10.118  10.305   1.787
  144    H    ASN  23           HN       ASN  23   4.361   6.282   1.921
  145    HA   ASN  23           HA       ASN  23   3.613   9.094   1.919
  146    HB2  ASN  23           HB2      ASN  23   3.418   8.839  -0.512
  147    HB3  ASN  23           HB1      ASN  23   4.949   8.157   0.020
  148   HD21  ASN  23          HD21      ASN  23   3.482   7.619  -2.412
  149   HD22  ASN  23          HD22      ASN  23   3.141   5.929  -2.418
  150    H    PHE  24           HN       PHE  24   2.237   6.282   2.771
  151    HA   PHE  24           HA       PHE  24   0.216   5.545   3.244
  152    HB2  PHE  24           HB2      PHE  24  -0.479   8.441   2.839
  153    HB3  PHE  24           HB1      PHE  24  -1.721   7.252   3.201
  154    HD1  PHE  24           HD1      PHE  24   1.517   8.579   4.468
  155    HD2  PHE  24           HD2      PHE  24  -2.161   6.658   5.374
  156    HE1  PHE  24           HE1      PHE  24   2.023   8.753   6.863
  157    HE2  PHE  24           HE2      PHE  24  -1.663   6.831   7.776
  158    HZ   PHE  24           HZ       PHE  24   0.429   7.876   8.520
  159    H    LYS  25           HN       LYS  25   1.210   5.356   0.569
  160    HA   LYS  25           HA       LYS  25  -1.364   4.792  -0.708
  161    HB2  LYS  25           HB2      LYS  25   1.250   5.577  -1.964
  162    HB3  LYS  25           HB1      LYS  25  -0.081   4.883  -2.875
  163    HG2  LYS  25           HG2      LYS  25  -1.469   6.813  -2.275
  164    HG3  LYS  25           HG1      LYS  25  -0.103   7.495  -1.381
  165    HD2  LYS  25           HD2      LYS  25   1.211   7.626  -3.389
  166    HD3  LYS  25           HD1      LYS  25  -0.042   6.800  -4.312
  167    HE2  LYS  25           HE2      LYS  25  -0.332   9.480  -2.971
  168    HE3  LYS  25           HE1      LYS  25  -0.034   9.227  -4.692
  169    HZ1  LYS  25           HZ1      LYS  25  -2.362   9.591  -4.363
  170    HZ2  LYS  25           HZ2      LYS  25  -2.453   8.428  -3.166
  171    HZ3  LYS  25           HZ3      LYS  25  -2.156   7.961  -4.755
  172    H    CYS  26           HN       CYS  26  -1.561   2.802  -1.635
  173    HA   CYS  26           HA       CYS  26   0.138   0.715  -0.756
  174    HB2  CYS  26           HB2      CYS  26  -1.945   0.876  -2.921
  175    HB3  CYS  26           HB1      CYS  26  -1.190  -0.646  -2.439
  176    H    ASN  27           HN       ASN  27   2.061   0.285  -1.565
  177    HA   ASN  27           HA       ASN  27   2.754   1.532  -4.133
  178    HB2  ASN  27           HB2      ASN  27   4.437   1.095  -1.667
  179    HB3  ASN  27           HB1      ASN  27   5.105   1.599  -3.216
  180   HD21  ASN  27          HD21      ASN  27   5.168   2.956  -0.701
  181   HD22  ASN  27          HD22      ASN  27   4.325   4.451  -0.882
  182    HA   HYP  28           HA       HYP  28   4.039  -2.412  -5.596
  183    HB2  HYP  28           HB1      HYP  28   4.936  -1.859  -7.639
  184    HB3  HYP  28           HB2      HYP  28   6.448  -1.357  -6.875
  185    HG   HYP  28           HG       HYP  28   5.633   0.727  -7.649
  186   HD22  HYP  28          HD11      HYP  28   4.273   1.566  -5.558
  187   HD23  HYP  28          HD12      HYP  28   5.911   0.932  -5.265
  188    HD1  HYP  28           HD2      HYP  28   3.349  -0.598  -7.674
  189    HA   HYP  29           HA       HYP  29   7.004  -4.196  -2.817
  190    HB2  HYP  29           HB1      HYP  29   6.899  -6.401  -3.355
  191    HB3  HYP  29           HB2      HYP  29   7.843  -6.146  -4.828
  192    HG   HYP  29           HG       HYP  29   5.686  -6.694  -5.685
  193   HD22  HYP  29          HD11      HYP  29   4.728  -4.277  -6.087
  194   HD23  HYP  29          HD12      HYP  29   6.420  -4.539  -6.590
  195    HD1  HYP  29           HD2      HYP  29   4.680  -4.948  -3.799
  196    H    ASN  30           HN       ASN  30   8.738  -2.994  -2.440
  197    HA   ASN  30           HA       ASN  30  11.114  -3.367  -4.118
  198    HB2  ASN  30           HB2      ASN  30   9.998  -0.687  -3.241
  199    HB3  ASN  30           HB1      ASN  30  11.679  -0.898  -3.705
  200   HD21  ASN  30          HD21      ASN  30  12.166  -1.280  -5.835
  201   HD22  ASN  30          HD22      ASN  30  11.084  -0.991  -7.130
  202    H    GLN  31           HN       GLN  31   9.896  -4.143  -1.494
  203    HA   GLN  31           HA       GLN  31  11.826  -3.068   0.405
  204    HB2  GLN  31           HB2      GLN  31   9.249  -4.600   0.810
  205    HB3  GLN  31           HB1      GLN  31  10.334  -4.163   2.120
  206    HG2  GLN  31           HG2      GLN  31   8.483  -2.640   2.071
  207    HG3  GLN  31           HG1      GLN  31   9.931  -1.779   1.572
  208   HE21  GLN  31          HE21      GLN  31   8.893  -0.231   0.483
  209   HE22  GLN  31          HE22      GLN  31   8.052  -0.482  -0.997
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1 -12.798  -7.737  -1.726
    2    H2   GLY   1           HT2      GLY   1 -12.099  -6.729  -0.548
    3    H3   GLY   1           HT3      GLY   1 -11.303  -8.111  -1.053
    4    HA2  GLY   1           HA1      GLY   1 -10.955  -7.213  -3.226
    5    HA3  GLY   1           HA2      GLY   1 -11.851  -5.778  -2.742
    6    H    CYS   2           HN       CYS   2  -9.129  -5.846  -3.649
    7    HA   CYS   2           HA       CYS   2  -7.758  -5.102  -1.179
    8    HB2  CYS   2           HB2      CYS   2  -5.653  -5.518  -2.405
    9    HB3  CYS   2           HB1      CYS   2  -6.652  -6.960  -2.287
   10    H    ILE   3           HN       ILE   3  -6.370  -3.265  -1.296
   11    HA   ILE   3           HA       ILE   3  -7.509  -1.143  -2.858
   12    HB   ILE   3           HB       ILE   3  -5.103  -1.086  -1.000
   13   HG12  ILE   3          HG12      ILE   3  -7.976  -0.371  -0.435
   14   HG13  ILE   3          HG11      ILE   3  -7.191  -1.847   0.114
   15   HG21  ILE   3          HG21      ILE   3  -5.185   0.795  -2.544
   16   HG22  ILE   3          HG22      ILE   3  -5.552   1.330  -0.901
   17   HG23  ILE   3          HG23      ILE   3  -6.853   1.128  -2.075
   18   HD11  ILE   3          HD11      ILE   3  -6.447   0.961   0.897
   19   HD12  ILE   3          HD12      ILE   3  -5.624  -0.504   1.437
   20   HD13  ILE   3          HD13      ILE   3  -7.303  -0.212   1.900
   21    H    ALA   4           HN       ALA   4  -6.833  -0.614  -4.767
   22    HA   ALA   4           HA       ALA   4  -4.711  -1.936  -6.092
   23    HB1  ALA   4           HB1      ALA   4  -5.191  -0.425  -7.952
   24    HB2  ALA   4           HB2      ALA   4  -6.199   0.561  -6.898
   25    HB3  ALA   4           HB3      ALA   4  -6.683  -1.090  -7.286
   26    H    THR   5           HN       THR   5  -2.714  -1.128  -6.729
   27    HA   THR   5           HA       THR   5  -1.603   0.528  -4.787
   28    HB   THR   5           HB       THR   5   0.473   0.335  -6.053
   29    HG1  THR   5           HG1      THR   5  -0.507   0.008  -8.173
   30   HG21  THR   5          HG21      THR   5  -1.036  -2.193  -5.451
   31   HG22  THR   5          HG22      THR   5  -0.070  -1.226  -4.333
   32   HG23  THR   5          HG23      THR   5   0.711  -2.087  -5.655
   33    H    GLY   6           HN       GLY   6  -0.872   2.532  -4.804
   34    HA2  GLY   6           HA2      GLY   6  -0.586   4.675  -5.833
   35    HA3  GLY   6           HA1      GLY   6  -1.798   4.213  -7.025
   36    H    SER   7           HN       SER   7  -3.437   2.995  -4.795
   37    HA   SER   7           HA       SER   7  -4.815   5.457  -4.129
   38    HB2  SER   7           HB2      SER   7  -5.629   2.594  -3.610
   39    HB3  SER   7           HB1      SER   7  -6.664   4.021  -3.537
   40    HG   SER   7           HG       SER   7  -5.322   3.690  -5.910
   41    H    PHE   8           HN       PHE   8  -5.599   5.787  -1.902
   42    HA   PHE   8           HA       PHE   8  -3.588   5.667   0.044
   43    HB2  PHE   8           HB2      PHE   8  -5.232   7.424   0.031
   44    HB3  PHE   8           HB1      PHE   8  -6.545   6.274   0.240
   45    HD1  PHE   8           HD1      PHE   8  -3.650   7.875   1.877
   46    HD2  PHE   8           HD2      PHE   8  -7.188   5.573   2.417
   47    HE1  PHE   8           HE1      PHE   8  -3.524   8.246   4.301
   48    HE2  PHE   8           HE2      PHE   8  -7.061   5.934   4.838
   49    HZ   PHE   8           HZ       PHE   8  -5.229   7.269   5.786
   50    H    CYS   9           HN       CYS   9  -3.153   4.280   1.612
   51    HA   CYS   9           HA       CYS   9  -5.025   2.038   2.092
   52    HB2  CYS   9           HB2      CYS   9  -3.241   0.596   2.450
   53    HB3  CYS   9           HB1      CYS   9  -2.590   1.614   1.171
   54    H    THR  10           HN       THR  10  -5.301   1.493   4.296
   55    HA   THR  10           HA       THR  10  -4.288   3.470   6.159
   56    HB   THR  10           HB       THR  10  -5.786   2.150   7.794
   57    HG1  THR  10           HG1      THR  10  -7.499   1.056   6.666
   58   HG21  THR  10          HG21      THR  10  -6.416   4.347   6.933
   59   HG22  THR  10          HG22      THR  10  -7.831   3.296   7.009
   60   HG23  THR  10          HG23      THR  10  -7.045   3.608   5.464
   61    H    LEU  11           HN       LEU  11  -4.153   0.099   5.282
   62    HA   LEU  11           HA       LEU  11  -1.771  -0.277   6.925
   63    HB2  LEU  11           HB2      LEU  11  -4.035  -2.261   6.620
   64    HB3  LEU  11           HB1      LEU  11  -2.535  -2.552   7.465
   65    HG   LEU  11           HG       LEU  11  -4.697  -0.619   8.311
   66   HD11  LEU  11          HD11      LEU  11  -3.841  -3.261   9.460
   67   HD12  LEU  11          HD12      LEU  11  -5.327  -2.949   8.569
   68   HD13  LEU  11          HD13      LEU  11  -5.060  -2.182  10.138
   69   HD21  LEU  11          HD21      LEU  11  -3.407  -0.391  10.384
   70   HD22  LEU  11          HD22      LEU  11  -2.494   0.182   8.992
   71   HD23  LEU  11          HD23      LEU  11  -2.122  -1.387   9.702
   72    H    SER  12           HN       SER  12  -0.320  -1.763   5.977
   73    HA   SER  12           HA       SER  12  -0.021  -1.759   3.221
   74    HB2  SER  12           HB2      SER  12   1.675  -3.547   3.710
   75    HB3  SER  12           HB1      SER  12   1.867  -2.041   4.617
   76    HG   SER  12           HG       SER  12   1.301  -3.034   6.423
   77    H    LYS  13           HN       LYS  13  -1.565  -4.016   5.270
   78    HA   LYS  13           HA       LYS  13  -1.568  -6.277   3.549
   79    HB2  LYS  13           HB2      LYS  13  -3.292  -5.673   5.947
   80    HB3  LYS  13           HB1      LYS  13  -3.283  -7.204   5.088
   81    HG2  LYS  13           HG2      LYS  13  -1.877  -7.634   6.851
   82    HG3  LYS  13           HG1      LYS  13  -0.795  -7.158   5.523
   83    HD2  LYS  13           HD2      LYS  13  -0.627  -4.907   6.464
   84    HD3  LYS  13           HD1      LYS  13  -1.681  -5.381   7.800
   85    HE2  LYS  13           HE2      LYS  13   0.604  -5.434   8.554
   86    HE3  LYS  13           HE1      LYS  13   0.033  -7.095   8.417
   87    HZ1  LYS  13           HZ1      LYS  13   1.667  -5.690   6.371
   88    HZ2  LYS  13           HZ2      LYS  13   1.219  -7.311   6.322
   89    HZ3  LYS  13           HZ3      LYS  13   2.276  -6.767   7.505
   90    H    GLY  14           HN       GLY  14  -3.523  -3.629   3.915
   91    HA2  GLY  14           HA2      GLY  14  -5.897  -4.579   2.609
   92    HA3  GLY  14           HA1      GLY  14  -5.480  -2.885   2.822
   93    H    CYS  15           HN       CYS  15  -2.889  -3.391   1.460
   94    HA   CYS  15           HA       CYS  15  -3.708  -2.592  -1.146
   95    HB2  CYS  15           HB2      CYS  15  -1.001  -3.323  -0.073
   96    HB3  CYS  15           HB1      CYS  15  -1.323  -2.446  -1.569
   97    H    CYS  16           HN       CYS  16  -3.457  -3.659  -3.101
   98    HA   CYS  16           HA       CYS  16  -3.758  -6.441  -3.156
   99    HB2  CYS  16           HB2      CYS  16  -2.831  -4.645  -5.411
  100    HB3  CYS  16           HB1      CYS  16  -3.452  -6.280  -5.593
  101    H    THR  17           HN       THR  17  -0.788  -4.439  -3.499
  102    HA   THR  17           HA       THR  17   0.867  -6.693  -4.063
  103    HB   THR  17           HB       THR  17   2.654  -4.973  -3.572
  104    HG1  THR  17           HG1      THR  17   1.974  -2.877  -3.199
  105   HG21  THR  17          HG21      THR  17   0.531  -4.308  -5.612
  106   HG22  THR  17          HG22      THR  17   1.875  -5.430  -5.852
  107   HG23  THR  17          HG23      THR  17   2.183  -3.702  -5.622
  108    H    LYS  18           HN       LYS  18  -0.666  -5.664  -1.312
  109    HA   LYS  18           HA       LYS  18  -0.466  -5.900   0.907
  110    HB2  LYS  18           HB2      LYS  18   1.587  -7.987   0.134
  111    HB3  LYS  18           HB1      LYS  18   0.984  -7.743   1.765
  112    HG2  LYS  18           HG2      LYS  18  -0.721  -8.510  -0.596
  113    HG3  LYS  18           HG1      LYS  18  -0.081  -9.632   0.607
  114    HD2  LYS  18           HD2      LYS  18  -1.304  -8.434   2.361
  115    HD3  LYS  18           HD1      LYS  18  -1.960  -7.336   1.148
  116    HE2  LYS  18           HE2      LYS  18  -3.026  -9.241   0.020
  117    HE3  LYS  18           HE1      LYS  18  -2.400 -10.312   1.271
  118    HZ1  LYS  18           HZ1      LYS  18  -4.192  -8.016   1.832
  119    HZ2  LYS  18           HZ2      LYS  18  -3.743  -9.225   2.907
  120    HZ3  LYS  18           HZ3      LYS  18  -4.745  -9.585   1.603
  121    H    ASN  19           HN       ASN  19   1.377  -4.113  -0.661
  122    HA   ASN  19           HA       ASN  19   3.229  -3.504   1.535
  123    HB2  ASN  19           HB2      ASN  19   4.490  -4.469  -0.364
  124    HB3  ASN  19           HB1      ASN  19   3.793  -3.258  -1.434
  125   HD21  ASN  19          HD21      ASN  19   5.719  -2.261  -2.005
  126   HD22  ASN  19          HD22      ASN  19   6.694  -1.416  -0.874
  127    H    CYS  20           HN       CYS  20   3.042  -1.468   2.218
  128    HA   CYS  20           HA       CYS  20   2.045   0.565   0.399
  129    HB2  CYS  20           HB2      CYS  20   0.112  -0.294   1.826
  130    HB3  CYS  20           HB1      CYS  20   1.032   0.217   3.229
  131    H    GLY  21           HN       GLY  21   2.910   2.632   0.954
  132    HA2  GLY  21           HA2      GLY  21   5.260   2.343   2.680
  133    HA3  GLY  21           HA1      GLY  21   5.021   3.584   1.454
  134    H    TRP  22           HN       TRP  22   5.869   4.735   3.537
  135    HA   TRP  22           HA       TRP  22   3.915   5.312   5.509
  136    HB2  TRP  22           HB2      TRP  22   5.507   7.117   6.099
  137    HB3  TRP  22           HB1      TRP  22   6.220   5.557   6.282
  138    HD1  TRP  22           HD1      TRP  22   7.879   4.922   3.943
  139    HE1  TRP  22           HE1      TRP  22   9.465   6.556   2.739
  140    HE3  TRP  22           HE3      TRP  22   5.911   9.117   5.657
  141    HZ2  TRP  22           HZ2      TRP  22   9.813   9.387   2.578
  142    HZ3  TRP  22           HZ3      TRP  22   6.882  11.366   4.983
  143    HH2  TRP  22           HH2      TRP  22   8.808  11.451   3.469
  144    H    ASN  23           HN       ASN  23   4.272   6.179   2.377
  145    HA   ASN  23           HA       ASN  23   3.213   8.841   2.449
  146    HB2  ASN  23           HB2      ASN  23   3.014   8.577   0.011
  147    HB3  ASN  23           HB1      ASN  23   4.603   8.054   0.546
  148   HD21  ASN  23          HD21      ASN  23   3.251   7.365  -1.894
  149   HD22  ASN  23          HD22      ASN  23   3.061   5.651  -1.912
  150    H    PHE  24           HN       PHE  24   2.019   5.758   2.966
  151    HA   PHE  24           HA       PHE  24   0.043   4.841   3.294
  152    HB2  PHE  24           HB2      PHE  24  -0.722   7.718   3.525
  153    HB3  PHE  24           HB1      PHE  24  -1.981   6.484   3.535
  154    HD1  PHE  24           HD1      PHE  24   1.208   7.421   5.200
  155    HD2  PHE  24           HD2      PHE  24  -2.501   5.375   5.475
  156    HE1  PHE  24           HE1      PHE  24   1.638   6.977   7.573
  157    HE2  PHE  24           HE2      PHE  24  -2.086   4.930   7.860
  158    HZ   PHE  24           HZ       PHE  24   0.001   5.733   8.909
  159    H    LYS  25           HN       LYS  25   1.019   5.165   0.706
  160    HA   LYS  25           HA       LYS  25  -1.488   4.679  -0.709
  161    HB2  LYS  25           HB2      LYS  25   1.082   5.850  -1.670
  162    HB3  LYS  25           HB1      LYS  25  -0.157   5.280  -2.786
  163    HG2  LYS  25           HG2      LYS  25  -1.668   7.014  -1.975
  164    HG3  LYS  25           HG1      LYS  25  -0.474   7.517  -0.770
  165    HD2  LYS  25           HD2      LYS  25   1.087   8.102  -2.561
  166    HD3  LYS  25           HD1      LYS  25  -0.095   7.580  -3.757
  167    HE2  LYS  25           HE2      LYS  25  -0.583   9.798  -1.777
  168    HE3  LYS  25           HE1      LYS  25   0.054  10.072  -3.394
  169    HZ1  LYS  25           HZ1      LYS  25  -1.991   9.144  -4.310
  170    HZ2  LYS  25           HZ2      LYS  25  -2.335  10.425  -3.289
  171    HZ3  LYS  25           HZ3      LYS  25  -2.596   8.859  -2.761
  172    H    CYS  26           HN       CYS  26  -1.520   2.784  -1.765
  173    HA   CYS  26           HA       CYS  26   0.229   0.764  -0.913
  174    HB2  CYS  26           HB2      CYS  26  -1.870   0.912  -3.032
  175    HB3  CYS  26           HB1      CYS  26  -1.071  -0.610  -2.579
  176    H    ASN  27           HN       ASN  27   2.074   0.031  -1.757
  177    HA   ASN  27           HA       ASN  27   2.999   1.294  -4.253
  178    HB2  ASN  27           HB2      ASN  27   4.548   0.759  -1.699
  179    HB3  ASN  27           HB1      ASN  27   5.307   1.210  -3.214
  180   HD21  ASN  27          HD21      ASN  27   5.440   2.561  -0.685
  181   HD22  ASN  27          HD22      ASN  27   4.778   4.140  -0.915
  182    HA   HYP  28           HA       HYP  28   4.124  -2.892  -5.408
  183    HB2  HYP  28           HB1      HYP  28   4.907  -2.500  -7.526
  184    HB3  HYP  28           HB2      HYP  28   6.481  -2.083  -6.847
  185    HG   HYP  28           HG       HYP  28   5.985   0.009  -7.664
  186   HD22  HYP  28          HD11      HYP  28   4.199   1.054  -5.919
  187   HD23  HYP  28          HD12      HYP  28   5.834   0.611  -5.377
  188    HD1  HYP  28           HD2      HYP  28   3.389  -0.941  -7.580
  189    HA   HYP  29           HA       HYP  29   7.252  -3.881  -2.363
  190    HB2  HYP  29           HB1      HYP  29   7.204  -6.169  -2.340
  191    HB3  HYP  29           HB2      HYP  29   8.064  -6.237  -3.885
  192    HG   HYP  29           HG       HYP  29   5.960  -7.057  -4.507
  193   HD22  HYP  29          HD11      HYP  29   4.742  -4.838  -5.284
  194   HD23  HYP  29          HD12      HYP  29   6.388  -5.124  -5.913
  195    HD1  HYP  29           HD2      HYP  29   4.604  -5.087  -3.183
  196    H    ASN  30           HN       ASN  30   9.034  -2.657  -2.365
  197    HA   ASN  30           HA       ASN  30  10.836  -2.743  -4.669
  198    HB2  ASN  30           HB2      ASN  30  10.368  -0.668  -2.549
  199    HB3  ASN  30           HB1      ASN  30  11.865  -0.687  -3.463
  200   HD21  ASN  30          HD21      ASN  30   8.450  -0.072  -3.554
  201   HD22  ASN  30          HD22      ASN  30   8.450   0.685  -5.099
  202    H    GLN  31           HN       GLN  31  10.800  -4.806  -2.549
  203    HA   GLN  31           HA       GLN  31  13.403  -4.314  -1.353
  204    HB2  GLN  31           HB2      GLN  31  11.514  -6.635  -0.853
  205    HB3  GLN  31           HB1      GLN  31  13.059  -6.406  -0.072
  206    HG2  GLN  31           HG2      GLN  31  11.509  -5.700   1.521
  207    HG3  GLN  31           HG1      GLN  31  12.109  -4.206   0.814
  208   HE21  GLN  31          HE21      GLN  31   9.791  -6.328  -0.735
  209   HE22  GLN  31          HE22      GLN  31   8.440  -5.259  -0.566
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1 -12.206  -5.388  -2.664
    2    H2   GLY   1           HT2      GLY   1 -12.237  -6.537  -1.458
    3    H3   GLY   1           HT3      GLY   1 -13.072  -6.829  -2.922
    4    HA2  GLY   1           HA1      GLY   1 -11.021  -8.069  -2.780
    5    HA3  GLY   1           HA2      GLY   1 -10.925  -6.848  -4.051
    6    H    CYS   2           HN       CYS   2  -8.855  -6.163  -4.008
    7    HA   CYS   2           HA       CYS   2  -7.808  -5.393  -1.389
    8    HB2  CYS   2           HB2      CYS   2  -5.551  -5.666  -2.425
    9    HB3  CYS   2           HB1      CYS   2  -6.471  -7.165  -2.328
   10    H    ILE   3           HN       ILE   3  -6.428  -3.492  -1.408
   11    HA   ILE   3           HA       ILE   3  -7.617  -1.412  -2.960
   12    HB   ILE   3           HB       ILE   3  -5.392  -1.349  -0.892
   13   HG12  ILE   3          HG12      ILE   3  -8.318  -0.608  -0.674
   14   HG13  ILE   3          HG11      ILE   3  -7.588  -2.072  -0.026
   15   HG21  ILE   3          HG21      ILE   3  -5.773   1.069  -0.808
   16   HG22  ILE   3          HG22      ILE   3  -6.933   0.931  -2.131
   17   HG23  ILE   3          HG23      ILE   3  -5.229   0.547  -2.404
   18   HD11  ILE   3          HD11      ILE   3  -6.935   0.742   0.808
   19   HD12  ILE   3          HD12      ILE   3  -6.220  -0.734   1.460
   20   HD13  ILE   3          HD13      ILE   3  -7.937  -0.403   1.702
   21    H    ALA   4           HN       ALA   4  -6.930  -0.713  -4.799
   22    HA   ALA   4           HA       ALA   4  -4.804  -1.899  -6.207
   23    HB1  ALA   4           HB1      ALA   4  -6.310   0.644  -6.807
   24    HB2  ALA   4           HB2      ALA   4  -6.779  -0.981  -7.313
   25    HB3  ALA   4           HB3      ALA   4  -5.299  -0.255  -7.936
   26    H    THR   5           HN       THR   5  -2.822  -1.031  -6.846
   27    HA   THR   5           HA       THR   5  -1.567   0.389  -4.821
   28    HB   THR   5           HB       THR   5   0.416   0.402  -6.182
   29    HG1  THR   5           HG1      THR   5  -1.408   0.039  -8.188
   30   HG21  THR   5          HG21      THR   5  -1.097  -2.195  -6.168
   31   HG22  THR   5          HG22      THR   5  -0.088  -1.540  -4.878
   32   HG23  THR   5          HG23      THR   5   0.643  -2.046  -6.401
   33    H    GLY   6           HN       GLY   6  -0.882   2.426  -4.614
   34    HA2  GLY   6           HA2      GLY   6  -0.568   4.661  -5.376
   35    HA3  GLY   6           HA1      GLY   6  -1.764   4.363  -6.636
   36    H    SER   7           HN       SER   7  -3.581   3.035  -4.743
   37    HA   SER   7           HA       SER   7  -5.050   5.329  -3.977
   38    HB2  SER   7           HB2      SER   7  -5.502   2.491  -3.086
   39    HB3  SER   7           HB1      SER   7  -6.702   3.769  -3.269
   40    HG   SER   7           HG       SER   7  -5.590   2.093  -5.092
   41    H    PHE   8           HN       PHE   8  -5.864   5.637  -1.751
   42    HA   PHE   8           HA       PHE   8  -3.747   6.082   0.055
   43    HB2  PHE   8           HB2      PHE   8  -5.766   7.510  -0.147
   44    HB3  PHE   8           HB1      PHE   8  -6.730   6.195   0.500
   45    HD1  PHE   8           HD1      PHE   8  -4.147   8.683   1.279
   46    HD2  PHE   8           HD2      PHE   8  -6.828   5.784   2.847
   47    HE1  PHE   8           HE1      PHE   8  -3.757   9.549   3.537
   48    HE2  PHE   8           HE2      PHE   8  -6.438   6.648   5.114
   49    HZ   PHE   8           HZ       PHE   8  -4.908   8.528   5.462
   50    H    CYS   9           HN       CYS   9  -2.860   4.690   1.391
   51    HA   CYS   9           HA       CYS   9  -4.556   2.517   2.394
   52    HB2  CYS   9           HB2      CYS   9  -2.619   1.076   2.446
   53    HB3  CYS   9           HB1      CYS   9  -2.850   1.715   0.823
   54    H    THR  10           HN       THR  10  -4.405   1.988   4.502
   55    HA   THR  10           HA       THR  10  -2.519   3.456   6.188
   56    HB   THR  10           HB       THR  10  -4.369   3.143   7.974
   57    HG1  THR  10           HG1      THR  10  -6.410   3.423   6.440
   58   HG21  THR  10          HG21      THR  10  -4.804   5.066   5.680
   59   HG22  THR  10          HG22      THR  10  -3.743   5.338   7.061
   60   HG23  THR  10          HG23      THR  10  -5.488   5.231   7.296
   61    H    LEU  11           HN       LEU  11  -3.533   0.514   5.016
   62    HA   LEU  11           HA       LEU  11  -2.171  -1.007   7.103
   63    HB2  LEU  11           HB2      LEU  11  -4.834  -1.719   5.847
   64    HB3  LEU  11           HB1      LEU  11  -3.917  -2.761   6.909
   65    HG   LEU  11           HG       LEU  11  -5.114  -0.110   7.738
   66   HD11  LEU  11          HD11      LEU  11  -6.855  -1.725   7.211
   67   HD12  LEU  11          HD12      LEU  11  -6.757  -1.450   8.950
   68   HD13  LEU  11          HD13      LEU  11  -6.076  -2.918   8.249
   69   HD21  LEU  11          HD21      LEU  11  -3.159  -0.742   9.055
   70   HD22  LEU  11          HD22      LEU  11  -3.864  -2.332   9.352
   71   HD23  LEU  11          HD23      LEU  11  -4.635  -0.890  10.011
   72    H    SER  12           HN       SER  12  -0.771  -2.391   6.204
   73    HA   SER  12           HA       SER  12  -0.164  -2.241   3.464
   74    HB2  SER  12           HB2      SER  12   1.480  -4.059   4.031
   75    HB3  SER  12           HB1      SER  12   1.595  -2.601   5.020
   76    HG   SER  12           HG       SER  12   0.677  -3.640   6.701
   77    H    LYS  13           HN       LYS  13  -1.714  -4.768   5.360
   78    HA   LYS  13           HA       LYS  13  -1.812  -6.509   3.156
   79    HB2  LYS  13           HB2      LYS  13  -3.415  -7.878   4.599
   80    HB3  LYS  13           HB1      LYS  13  -1.751  -7.702   5.109
   81    HG2  LYS  13           HG2      LYS  13  -3.121  -7.548   7.033
   82    HG3  LYS  13           HG1      LYS  13  -2.521  -5.933   6.692
   83    HD2  LYS  13           HD2      LYS  13  -4.674  -5.344   5.705
   84    HD3  LYS  13           HD1      LYS  13  -5.265  -6.984   6.008
   85    HE2  LYS  13           HE2      LYS  13  -4.866  -6.659   8.417
   86    HE3  LYS  13           HE1      LYS  13  -4.344  -5.010   8.087
   87    HZ1  LYS  13           HZ1      LYS  13  -7.045  -6.106   7.571
   88    HZ2  LYS  13           HZ2      LYS  13  -6.571  -4.531   7.252
   89    HZ3  LYS  13           HZ3      LYS  13  -6.611  -5.105   8.852
   90    H    GLY  14           HN       GLY  14  -3.608  -3.838   3.634
   91    HA2  GLY  14           HA2      GLY  14  -6.031  -4.820   2.411
   92    HA3  GLY  14           HA1      GLY  14  -5.621  -3.135   2.729
   93    H    CYS  15           HN       CYS  15  -2.994  -3.535   1.427
   94    HA   CYS  15           HA       CYS  15  -3.775  -2.660  -1.183
   95    HB2  CYS  15           HB2      CYS  15  -1.090  -3.243   0.015
   96    HB3  CYS  15           HB1      CYS  15  -1.355  -2.423  -1.523
   97    H    CYS  16           HN       CYS  16  -3.462  -3.675  -3.115
   98    HA   CYS  16           HA       CYS  16  -3.595  -6.452  -3.260
   99    HB2  CYS  16           HB2      CYS  16  -2.770  -4.488  -5.391
  100    HB3  CYS  16           HB1      CYS  16  -3.193  -6.173  -5.684
  101    H    THR  17           HN       THR  17  -0.704  -4.324  -3.491
  102    HA   THR  17           HA       THR  17   1.040  -6.471  -4.110
  103    HB   THR  17           HB       THR  17   2.706  -4.653  -3.387
  104    HG1  THR  17           HG1      THR  17   1.836  -2.634  -3.197
  105   HG21  THR  17          HG21      THR  17   0.765  -4.189  -5.655
  106   HG22  THR  17          HG22      THR  17   2.246  -5.158  -5.736
  107   HG23  THR  17          HG23      THR  17   2.333  -3.410  -5.481
  108    H    LYS  18           HN       LYS  18  -0.612  -5.685  -1.349
  109    HA   LYS  18           HA       LYS  18  -0.486  -6.038   0.852
  110    HB2  LYS  18           HB2      LYS  18   1.804  -7.910   0.160
  111    HB3  LYS  18           HB1      LYS  18   0.957  -7.881   1.694
  112    HG2  LYS  18           HG2      LYS  18  -0.266  -8.602  -0.979
  113    HG3  LYS  18           HG1      LYS  18   0.233  -9.751   0.257
  114    HD2  LYS  18           HD2      LYS  18  -1.895  -7.632   0.636
  115    HD3  LYS  18           HD1      LYS  18  -2.217  -9.306   0.207
  116    HE2  LYS  18           HE2      LYS  18  -0.789  -8.425   2.717
  117    HE3  LYS  18           HE1      LYS  18  -2.499  -8.813   2.625
  118    HZ1  LYS  18           HZ1      LYS  18  -0.282 -10.713   2.036
  119    HZ2  LYS  18           HZ2      LYS  18  -1.923 -11.069   1.993
  120    HZ3  LYS  18           HZ3      LYS  18  -1.193 -10.672   3.444
  121    H    ASN  19           HN       ASN  19   1.360  -4.095  -0.610
  122    HA   ASN  19           HA       ASN  19   3.110  -3.497   1.671
  123    HB2  ASN  19           HB2      ASN  19   4.406  -4.298  -0.303
  124    HB3  ASN  19           HB1      ASN  19   3.725  -2.988  -1.257
  125   HD21  ASN  19          HD21      ASN  19   5.773  -2.118  -1.684
  126   HD22  ASN  19          HD22      ASN  19   6.711  -1.325  -0.500
  127    H    CYS  20           HN       CYS  20   2.545  -1.682   2.610
  128    HA   CYS  20           HA       CYS  20   1.318   0.477   1.046
  129    HB2  CYS  20           HB2      CYS  20  -0.331  -0.395   2.575
  130    HB3  CYS  20           HB1      CYS  20   0.828  -0.414   3.901
  131    H    GLY  21           HN       GLY  21   2.244   2.490   1.351
  132    HA2  GLY  21           HA2      GLY  21   4.708   2.398   2.938
  133    HA3  GLY  21           HA1      GLY  21   4.422   3.442   1.555
  134    H    TRP  22           HN       TRP  22   5.426   4.479   3.809
  135    HA   TRP  22           HA       TRP  22   3.488   5.641   5.482
  136    HB2  TRP  22           HB2      TRP  22   5.409   7.188   6.050
  137    HB3  TRP  22           HB1      TRP  22   5.689   5.479   6.344
  138    HD1  TRP  22           HD1      TRP  22   6.202   7.449   3.016
  139    HE1  TRP  22           HE1      TRP  22   8.660   7.168   2.302
  140    HE3  TRP  22           HE3      TRP  22   7.918   4.817   7.032
  141    HZ2  TRP  22           HZ2      TRP  22  11.004   5.996   3.304
  142    HZ3  TRP  22           HZ3      TRP  22  10.292   4.153   7.080
  143    HH2  TRP  22           HH2      TRP  22  11.795   4.737   5.253
  144    H    ASN  23           HN       ASN  23   4.090   6.059   2.336
  145    HA   ASN  23           HA       ASN  23   3.586   8.897   2.086
  146    HB2  ASN  23           HB2      ASN  23   3.763   8.466  -0.326
  147    HB3  ASN  23           HB1      ASN  23   5.135   7.769   0.523
  148   HD21  ASN  23          HD21      ASN  23   4.150   7.067  -2.061
  149   HD22  ASN  23          HD22      ASN  23   3.711   5.387  -1.993
  150    H    PHE  24           HN       PHE  24   1.838   6.240   2.799
  151    HA   PHE  24           HA       PHE  24  -0.325   5.780   3.019
  152    HB2  PHE  24           HB2      PHE  24  -0.696   8.618   2.076
  153    HB3  PHE  24           HB1      PHE  24  -2.036   7.583   2.551
  154    HD1  PHE  24           HD1      PHE  24   0.718   9.636   3.678
  155    HD2  PHE  24           HD2      PHE  24  -2.239   6.835   4.877
  156    HE1  PHE  24           HE1      PHE  24   1.045  10.298   6.021
  157    HE2  PHE  24           HE2      PHE  24  -1.922   7.491   7.219
  158    HZ   PHE  24           HZ       PHE  24  -0.272   9.230   7.792
  159    H    LYS  25           HN       LYS  25   1.158   5.330   0.531
  160    HA   LYS  25           HA       LYS  25  -1.205   4.798  -1.093
  161    HB2  LYS  25           HB2      LYS  25   1.498   5.689  -1.931
  162    HB3  LYS  25           HB1      LYS  25   0.346   4.988  -3.072
  163    HG2  LYS  25           HG2      LYS  25  -1.216   6.792  -2.506
  164    HG3  LYS  25           HG1      LYS  25   0.014   7.502  -1.453
  165    HD2  LYS  25           HD2      LYS  25   1.464   7.846  -3.315
  166    HD3  LYS  25           HD1      LYS  25   0.361   6.979  -4.392
  167    HE2  LYS  25           HE2      LYS  25  -0.228   9.554  -2.939
  168    HE3  LYS  25           HE1      LYS  25   0.125   9.392  -4.660
  169    HZ1  LYS  25           HZ1      LYS  25  -1.882   8.030  -4.880
  170    HZ2  LYS  25           HZ2      LYS  25  -2.250   9.562  -4.278
  171    HZ3  LYS  25           HZ3      LYS  25  -2.219   8.243  -3.243
  172    H    CYS  26           HN       CYS  26  -1.382   2.816  -1.817
  173    HA   CYS  26           HA       CYS  26   0.267   0.737  -0.893
  174    HB2  CYS  26           HB2      CYS  26  -1.742   0.943  -3.097
  175    HB3  CYS  26           HB1      CYS  26  -1.025  -0.619  -2.636
  176    H    ASN  27           HN       ASN  27   2.202   0.207  -1.584
  177    HA   ASN  27           HA       ASN  27   3.206   1.500  -4.012
  178    HB2  ASN  27           HB2      ASN  27   4.585   0.591  -1.487
  179    HB3  ASN  27           HB1      ASN  27   5.461   1.038  -2.942
  180   HD21  ASN  27          HD21      ASN  27   5.439   2.203  -0.246
  181   HD22  ASN  27          HD22      ASN  27   5.019   3.861  -0.449
  182    HA   HYP  28           HA       HYP  28   4.196  -2.490  -5.819
  183    HB2  HYP  28           HB1      HYP  28   5.714  -2.044  -7.547
  184    HB3  HYP  28           HB2      HYP  28   6.848  -1.231  -6.461
  185    HG   HYP  28           HG       HYP  28   5.800   0.537  -7.714
  186   HD22  HYP  28          HD11      HYP  28   4.073   1.270  -5.824
  187   HD23  HYP  28          HD12      HYP  28   5.781   1.074  -5.362
  188    HD1  HYP  28           HD2      HYP  28   3.626   0.646  -7.921
  189    HA   HYP  29           HA       HYP  29   6.754  -4.452  -2.842
  190    HB2  HYP  29           HB1      HYP  29   5.989  -6.462  -3.479
  191    HB3  HYP  29           HB2      HYP  29   7.528  -6.705  -4.314
  192    HG   HYP  29           HG       HYP  29   6.252  -6.736  -6.248
  193   HD22  HYP  29          HD11      HYP  29   5.370  -4.221  -6.660
  194   HD23  HYP  29          HD12      HYP  29   7.121  -4.547  -6.611
  195    HD1  HYP  29           HD2      HYP  29   4.190  -5.663  -6.201
  196    H    ASN  30           HN       ASN  30   8.266  -2.630  -4.619
  197    HA   ASN  30           HA       ASN  30  10.878  -3.921  -4.985
  198    HB2  ASN  30           HB2      ASN  30  10.262  -0.979  -5.428
  199    HB3  ASN  30           HB1      ASN  30  11.648  -1.876  -5.997
  200   HD21  ASN  30          HD21      ASN  30   9.707  -0.288  -7.424
  201   HD22  ASN  30          HD22      ASN  30   9.034  -1.296  -8.638
  202    H    GLN  31           HN       GLN  31   9.304  -1.480  -3.058
  203    HA   GLN  31           HA       GLN  31  11.400  -1.657  -1.062
  204    HB2  GLN  31           HB2      GLN  31  10.222   0.874  -2.208
  205    HB3  GLN  31           HB1      GLN  31  11.115   0.829  -0.699
  206    HG2  GLN  31           HG2      GLN  31  13.105   0.085  -1.912
  207    HG3  GLN  31           HG1      GLN  31  12.191   0.102  -3.417
  208   HE21  GLN  31          HE21      GLN  31  10.740   2.522  -2.666
  209   HE22  GLN  31          HE22      GLN  31  11.844   3.824  -2.874
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1 -12.636  -6.041  -1.218
    2    H2   GLY   1           HT2      GLY   1 -11.897  -7.531  -0.944
    3    H3   GLY   1           HT3      GLY   1 -13.154  -7.413  -2.068
    4    HA2  GLY   1           HA1      GLY   1 -11.028  -7.552  -3.149
    5    HA3  GLY   1           HA2      GLY   1 -11.796  -5.992  -3.449
    6    H    CYS   2           HN       CYS   2  -9.003  -6.493  -3.653
    7    HA   CYS   2           HA       CYS   2  -7.845  -5.440  -1.227
    8    HB2  CYS   2           HB2      CYS   2  -5.681  -5.725  -2.411
    9    HB3  CYS   2           HB1      CYS   2  -6.611  -7.214  -2.344
   10    H    ILE   3           HN       ILE   3  -6.383  -3.606  -1.349
   11    HA   ILE   3           HA       ILE   3  -7.615  -1.437  -2.788
   12    HB   ILE   3           HB       ILE   3  -5.310  -1.452  -0.807
   13   HG12  ILE   3          HG12      ILE   3  -8.226  -0.767  -0.400
   14   HG13  ILE   3          HG11      ILE   3  -7.454  -2.253   0.133
   15   HG21  ILE   3          HG21      ILE   3  -6.959   0.836  -1.886
   16   HG22  ILE   3          HG22      ILE   3  -5.265   0.500  -2.255
   17   HG23  ILE   3          HG23      ILE   3  -5.737   0.958  -0.617
   18   HD11  ILE   3          HD11      ILE   3  -6.794   0.523   1.081
   19   HD12  ILE   3          HD12      ILE   3  -6.019  -0.965   1.626
   20   HD13  ILE   3          HD13      ILE   3  -7.727  -0.684   1.965
   21    H    ALA   4           HN       ALA   4  -6.922  -0.806  -4.679
   22    HA   ALA   4           HA       ALA   4  -4.824  -2.032  -6.074
   23    HB1  ALA   4           HB1      ALA   4  -6.263   0.545  -6.683
   24    HB2  ALA   4           HB2      ALA   4  -6.802  -1.063  -7.154
   25    HB3  ALA   4           HB3      ALA   4  -5.306  -0.405  -7.820
   26    H    THR   5           HN       THR   5  -2.863  -1.102  -6.833
   27    HA   THR   5           HA       THR   5  -1.667   0.422  -4.811
   28    HB   THR   5           HB       THR   5   0.336   0.329  -6.216
   29    HG1  THR   5           HG1      THR   5  -0.108  -0.135  -8.245
   30   HG21  THR   5          HG21      THR   5  -0.060  -1.277  -4.493
   31   HG22  THR   5          HG22      THR   5   0.645  -2.096  -5.887
   32   HG23  THR   5          HG23      THR   5  -1.086  -2.232  -5.560
   33    H    GLY   6           HN       GLY   6  -0.971   2.454  -4.805
   34    HA2  GLY   6           HA2      GLY   6  -0.695   4.605  -5.834
   35    HA3  GLY   6           HA1      GLY   6  -1.962   4.161  -6.976
   36    H    SER   7           HN       SER   7  -3.560   2.924  -4.787
   37    HA   SER   7           HA       SER   7  -5.066   5.234  -4.112
   38    HB2  SER   7           HB2      SER   7  -5.354   2.405  -3.111
   39    HB3  SER   7           HB1      SER   7  -6.593   3.660  -3.114
   40    HG   SER   7           HG       SER   7  -6.588   2.018  -4.830
   41    H    PHE   8           HN       PHE   8  -5.726   5.705  -1.917
   42    HA   PHE   8           HA       PHE   8  -3.614   6.090  -0.089
   43    HB2  PHE   8           HB2      PHE   8  -5.493   7.642  -0.240
   44    HB3  PHE   8           HB1      PHE   8  -6.621   6.368   0.189
   45    HD1  PHE   8           HD1      PHE   8  -6.939   5.719   2.486
   46    HD2  PHE   8           HD2      PHE   8  -4.030   8.648   1.455
   47    HE1  PHE   8           HE1      PHE   8  -6.746   6.355   4.848
   48    HE2  PHE   8           HE2      PHE   8  -3.830   9.283   3.815
   49    HZ   PHE   8           HZ       PHE   8  -5.191   8.133   5.520
   50    H    CYS   9           HN       CYS   9  -2.841   4.700   1.394
   51    HA   CYS   9           HA       CYS   9  -4.666   2.654   2.415
   52    HB2  CYS   9           HB2      CYS   9  -2.864   1.024   2.427
   53    HB3  CYS   9           HB1      CYS   9  -3.200   1.591   0.794
   54    H    THR  10           HN       THR  10  -4.496   2.196   4.514
   55    HA   THR  10           HA       THR  10  -2.450   3.568   6.039
   56    HB   THR  10           HB       THR  10  -4.138   3.016   7.930
   57    HG1  THR  10           HG1      THR  10  -5.914   2.093   7.264
   58   HG21  THR  10          HG21      THR  10  -4.786   5.062   5.795
   59   HG22  THR  10          HG22      THR  10  -3.689   5.296   7.158
   60   HG23  THR  10          HG23      THR  10  -5.417   5.081   7.440
   61    H    LEU  11           HN       LEU  11  -3.826   0.504   5.115
   62    HA   LEU  11           HA       LEU  11  -2.000  -0.889   6.947
   63    HB2  LEU  11           HB2      LEU  11  -4.687  -1.837   5.953
   64    HB3  LEU  11           HB1      LEU  11  -3.609  -2.723   7.007
   65    HG   LEU  11           HG       LEU  11  -5.077  -0.178   7.700
   66   HD11  LEU  11          HD11      LEU  11  -6.546  -2.093   7.565
   67   HD12  LEU  11          HD12      LEU  11  -6.305  -1.631   9.252
   68   HD13  LEU  11          HD13      LEU  11  -5.455  -3.023   8.589
   69   HD21  LEU  11          HD21      LEU  11  -2.930  -0.275   8.846
   70   HD22  LEU  11          HD22      LEU  11  -3.274  -1.920   9.382
   71   HD23  LEU  11          HD23      LEU  11  -4.246  -0.575   9.981
   72    H    SER  12           HN       SER  12  -0.571  -2.215   5.950
   73    HA   SER  12           HA       SER  12  -0.258  -2.266   3.166
   74    HB2  SER  12           HB2      SER  12   1.429  -4.017   3.706
   75    HB3  SER  12           HB1      SER  12   1.611  -2.530   4.641
   76    HG   SER  12           HG       SER  12   1.236  -5.013   5.473
   77    H    LYS  13           HN       LYS  13  -1.800  -4.352   5.375
   78    HA   LYS  13           HA       LYS  13  -2.106  -6.762   4.027
   79    HB2  LYS  13           HB2      LYS  13  -4.038  -5.388   5.894
   80    HB3  LYS  13           HB1      LYS  13  -4.226  -7.034   5.336
   81    HG2  LYS  13           HG2      LYS  13  -3.372  -7.108   7.518
   82    HG3  LYS  13           HG1      LYS  13  -2.060  -7.559   6.418
   83    HD2  LYS  13           HD2      LYS  13  -1.051  -5.371   6.693
   84    HD3  LYS  13           HD1      LYS  13  -2.412  -4.831   7.688
   85    HE2  LYS  13           HE2      LYS  13  -1.829  -6.520   9.365
   86    HE3  LYS  13           HE1      LYS  13  -0.496  -7.070   8.359
   87    HZ1  LYS  13           HZ1      LYS  13   0.545  -4.889   8.622
   88    HZ2  LYS  13           HZ2      LYS  13   0.247  -5.576  10.128
   89    HZ3  LYS  13           HZ3      LYS  13  -0.760  -4.362   9.547
   90    H    GLY  14           HN       GLY  14  -3.911  -3.850   3.861
   91    HA2  GLY  14           HA2      GLY  14  -6.081  -4.827   2.316
   92    HA3  GLY  14           HA1      GLY  14  -5.685  -3.131   2.555
   93    H    CYS  15           HN       CYS  15  -3.051  -3.339   1.415
   94    HA   CYS  15           HA       CYS  15  -3.692  -2.682  -1.249
   95    HB2  CYS  15           HB2      CYS  15  -1.024  -3.369  -0.051
   96    HB3  CYS  15           HB1      CYS  15  -1.274  -2.552  -1.589
   97    H    CYS  16           HN       CYS  16  -3.508  -3.763  -3.150
   98    HA   CYS  16           HA       CYS  16  -3.660  -6.551  -3.220
   99    HB2  CYS  16           HB2      CYS  16  -2.858  -4.704  -5.479
  100    HB3  CYS  16           HB1      CYS  16  -3.445  -6.354  -5.657
  101    H    THR  17           HN       THR  17  -0.790  -4.415  -3.557
  102    HA   THR  17           HA       THR  17   0.955  -6.620  -4.085
  103    HB   THR  17           HB       THR  17   2.673  -4.845  -3.541
  104    HG1  THR  17           HG1      THR  17   1.883  -2.740  -3.352
  105   HG21  THR  17          HG21      THR  17   2.240  -3.630  -5.633
  106   HG22  THR  17          HG22      THR  17   0.602  -4.286  -5.657
  107   HG23  THR  17          HG23      THR  17   1.988  -5.367  -5.819
  108    H    LYS  18           HN       LYS  18  -0.650  -5.545  -1.363
  109    HA   LYS  18           HA       LYS  18  -0.413  -5.466   0.819
  110    HB2  LYS  18           HB2      LYS  18   1.389  -7.808   0.256
  111    HB3  LYS  18           HB1      LYS  18   0.808  -7.377   1.863
  112    HG2  LYS  18           HG2      LYS  18  -1.493  -7.684   1.119
  113    HG3  LYS  18           HG1      LYS  18  -0.916  -8.106  -0.495
  114    HD2  LYS  18           HD2      LYS  18   0.267  -9.990   0.406
  115    HD3  LYS  18           HD1      LYS  18  -0.264  -9.549   2.040
  116    HE2  LYS  18           HE2      LYS  18  -2.049 -10.353  -0.265
  117    HE3  LYS  18           HE1      LYS  18  -1.623 -11.376   1.100
  118    HZ1  LYS  18           HZ1      LYS  18  -2.734  -9.812   2.567
  119    HZ2  LYS  18           HZ2      LYS  18  -3.792 -10.406   1.425
  120    HZ3  LYS  18           HZ3      LYS  18  -3.200  -8.843   1.270
  121    H    ASN  19           HN       ASN  19   1.466  -3.930  -0.830
  122    HA   ASN  19           HA       ASN  19   3.483  -3.408   1.232
  123    HB2  ASN  19           HB2      ASN  19   4.439  -4.251  -0.919
  124    HB3  ASN  19           HB1      ASN  19   3.677  -2.907  -1.755
  125   HD21  ASN  19          HD21      ASN  19   5.635  -2.103  -2.486
  126   HD22  ASN  19          HD22      ASN  19   6.792  -1.365  -1.460
  127    H    CYS  20           HN       CYS  20   2.802  -1.693   2.308
  128    HA   CYS  20           HA       CYS  20   1.639   0.585   0.850
  129    HB2  CYS  20           HB2      CYS  20  -0.156  -0.517   2.064
  130    HB3  CYS  20           HB1      CYS  20   0.832  -0.587   3.521
  131    H    GLY  21           HN       GLY  21   2.608   2.507   1.362
  132    HA2  GLY  21           HA2      GLY  21   4.749   2.263   3.363
  133    HA3  GLY  21           HA1      GLY  21   4.752   3.377   2.005
  134    H    TRP  22           HN       TRP  22   5.389   4.561   4.253
  135    HA   TRP  22           HA       TRP  22   3.122   5.560   5.631
  136    HB2  TRP  22           HB2      TRP  22   4.816   7.121   6.628
  137    HB3  TRP  22           HB1      TRP  22   5.112   5.414   6.922
  138    HD1  TRP  22           HD1      TRP  22   6.224   7.290   3.707
  139    HE1  TRP  22           HE1      TRP  22   8.795   7.264   3.617
  140    HE3  TRP  22           HE3      TRP  22   7.181   5.206   8.268
  141    HZ2  TRP  22           HZ2      TRP  22  10.943   6.483   5.261
  142    HZ3  TRP  22           HZ3      TRP  22   9.520   4.864   8.941
  143    HH2  TRP  22           HH2      TRP  22  11.363   5.493   7.459
  144    H    ASN  23           HN       ASN  23   4.036   5.992   2.648
  145    HA   ASN  23           HA       ASN  23   3.563   8.828   2.333
  146    HB2  ASN  23           HB2      ASN  23   3.741   8.359  -0.085
  147    HB3  ASN  23           HB1      ASN  23   5.093   7.628   0.765
  148   HD21  ASN  23          HD21      ASN  23   4.058   6.930  -1.841
  149   HD22  ASN  23          HD22      ASN  23   3.554   5.282  -1.766
  150    H    PHE  24           HN       PHE  24   1.834   6.122   3.004
  151    HA   PHE  24           HA       PHE  24  -0.298   5.540   3.146
  152    HB2  PHE  24           HB2      PHE  24  -0.706   8.486   2.646
  153    HB3  PHE  24           HB1      PHE  24  -2.052   7.387   2.935
  154    HD1  PHE  24           HD1      PHE  24  -2.441   6.451   5.109
  155    HD2  PHE  24           HD2      PHE  24   0.873   9.024   4.428
  156    HE1  PHE  24           HE1      PHE  24  -2.135   6.698   7.542
  157    HE2  PHE  24           HE2      PHE  24   1.181   9.270   6.856
  158    HZ   PHE  24           HZ       PHE  24  -0.328   8.104   8.412
  159    H    LYS  25           HN       LYS  25   1.065   5.155   0.761
  160    HA   LYS  25           HA       LYS  25  -1.214   4.952  -1.055
  161    HB2  LYS  25           HB2      LYS  25   1.610   5.708  -1.726
  162    HB3  LYS  25           HB1      LYS  25   0.389   5.289  -2.918
  163    HG2  LYS  25           HG2      LYS  25  -0.904   7.257  -2.281
  164    HG3  LYS  25           HG1      LYS  25   0.242   7.621  -0.992
  165    HD2  LYS  25           HD2      LYS  25   0.720   9.072  -2.836
  166    HD3  LYS  25           HD1      LYS  25   2.010   7.879  -2.738
  167    HE2  LYS  25           HE2      LYS  25   1.437   8.158  -5.037
  168    HE3  LYS  25           HE1      LYS  25   0.845   6.584  -4.527
  169    HZ1  LYS  25           HZ1      LYS  25  -0.763   7.815  -5.892
  170    HZ2  LYS  25           HZ2      LYS  25  -0.821   9.031  -4.746
  171    HZ3  LYS  25           HZ3      LYS  25  -1.402   7.500  -4.366
  172    H    CYS  26           HN       CYS  26  -1.393   2.945  -1.915
  173    HA   CYS  26           HA       CYS  26   0.312   0.877  -0.999
  174    HB2  CYS  26           HB2      CYS  26  -1.828   0.983  -3.103
  175    HB3  CYS  26           HB1      CYS  26  -0.985  -0.529  -2.708
  176    H    ASN  27           HN       ASN  27   2.101   0.136  -1.867
  177    HA   ASN  27           HA       ASN  27   3.078   1.536  -4.259
  178    HB2  ASN  27           HB2      ASN  27   4.572   0.486  -1.840
  179    HB3  ASN  27           HB1      ASN  27   5.330   1.183  -3.265
  180   HD21  ASN  27          HD21      ASN  27   5.232   1.993  -0.371
  181   HD22  ASN  27          HD22      ASN  27   4.706   3.632  -0.390
  182    HA   HYP  28           HA       HYP  28   3.769  -2.502  -6.122
  183    HB2  HYP  28           HB1      HYP  28   5.026  -2.034  -8.079
  184    HB3  HYP  28           HB2      HYP  28   6.039  -0.850  -7.232
  185    HG   HYP  28           HG       HYP  28   4.406   0.462  -8.409
  186   HD22  HYP  28          HD11      HYP  28   2.717   0.725  -6.247
  187   HD23  HYP  28          HD12      HYP  28   4.377   1.355  -6.207
  188    HD1  HYP  28           HD2      HYP  28   2.366  -0.030  -8.487
  189    HA   HYP  29           HA       HYP  29   6.542  -4.523  -3.485
  190    HB2  HYP  29           HB1      HYP  29   6.418  -6.624  -4.331
  191    HB3  HYP  29           HB2      HYP  29   7.744  -6.250  -5.436
  192    HG   HYP  29           HG       HYP  29   6.043  -6.534  -7.021
  193   HD22  HYP  29          HD11      HYP  29   4.847  -4.154  -7.115
  194   HD23  HYP  29          HD12      HYP  29   6.621  -4.196  -7.263
  195    HD1  HYP  29           HD2      HYP  29   3.931  -5.687  -6.430
  196    H    ASN  30           HN       ASN  30   8.338  -3.709  -2.660
  197    HA   ASN  30           HA       ASN  30  10.672  -3.319  -4.405
  198    HB2  ASN  30           HB2      ASN  30  11.174  -1.152  -3.506
  199    HB3  ASN  30           HB1      ASN  30   9.508  -1.120  -4.070
  200   HD21  ASN  30          HD21      ASN  30  11.615  -0.954  -1.351
  201   HD22  ASN  30          HD22      ASN  30  10.453  -0.489  -0.175
  202    H    GLN  31           HN       GLN  31   9.467  -4.846  -1.826
  203    HA   GLN  31           HA       GLN  31  11.954  -4.684  -0.311
  204    HB2  GLN  31           HB2      GLN  31   9.176  -5.407   0.632
  205    HB3  GLN  31           HB1      GLN  31  10.620  -5.484   1.626
  206    HG2  GLN  31           HG2      GLN  31  10.916  -3.061   1.335
  207    HG3  GLN  31           HG1      GLN  31   9.428  -3.012   0.394
  208   HE21  GLN  31          HE21      GLN  31   7.464  -3.254   1.443
  209   HE22  GLN  31          HE22      GLN  31   7.308  -3.132   3.142
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1 -12.099  -7.240  -1.450
    2    H2   GLY   1           HT2      GLY   1 -13.129  -7.112  -2.803
    3    H3   GLY   1           HT3      GLY   1 -12.482  -5.727  -2.061
    4    HA2  GLY   1           HA1      GLY   1 -10.852  -7.768  -3.382
    5    HA3  GLY   1           HA2      GLY   1 -11.320  -6.219  -4.088
    6    H    CYS   2           HN       CYS   2  -8.795  -6.299  -4.047
    7    HA   CYS   2           HA       CYS   2  -7.824  -5.359  -1.464
    8    HB2  CYS   2           HB2      CYS   2  -5.572  -5.648  -2.484
    9    HB3  CYS   2           HB1      CYS   2  -6.506  -7.140  -2.442
   10    H    ILE   3           HN       ILE   3  -6.322  -3.467  -1.538
   11    HA   ILE   3           HA       ILE   3  -7.548  -1.375  -3.086
   12    HB   ILE   3           HB       ILE   3  -5.230  -1.246  -1.128
   13   HG12  ILE   3          HG12      ILE   3  -8.141  -0.604  -0.703
   14   HG13  ILE   3          HG11      ILE   3  -7.364  -2.083  -0.148
   15   HG21  ILE   3          HG21      ILE   3  -6.994   0.932  -2.260
   16   HG22  ILE   3          HG22      ILE   3  -5.299   0.652  -2.661
   17   HG23  ILE   3          HG23      ILE   3  -5.747   1.154  -1.030
   18   HD11  ILE   3          HD11      ILE   3  -6.682   0.712   0.735
   19   HD12  ILE   3          HD12      ILE   3  -5.878  -0.762   1.268
   20   HD13  ILE   3          HD13      ILE   3  -7.573  -0.491   1.672
   21    H    ALA   4           HN       ALA   4  -6.888  -0.878  -5.014
   22    HA   ALA   4           HA       ALA   4  -4.615  -1.956  -6.285
   23    HB1  ALA   4           HB1      ALA   4  -6.245   0.466  -7.056
   24    HB2  ALA   4           HB2      ALA   4  -6.578  -1.198  -7.537
   25    HB3  ALA   4           HB3      ALA   4  -5.117  -0.390  -8.105
   26    H    THR   5           HN       THR   5  -2.661  -0.953  -6.881
   27    HA   THR   5           HA       THR   5  -1.672   0.541  -4.726
   28    HB   THR   5           HB       THR   5   0.488   0.424  -5.850
   29    HG1  THR   5           HG1      THR   5  -0.611  -1.164  -7.918
   30   HG21  THR   5          HG21      THR   5  -0.264  -1.446  -4.524
   31   HG22  THR   5          HG22      THR   5   0.670  -2.012  -5.911
   32   HG23  THR   5          HG23      THR   5  -1.090  -2.131  -5.923
   33    H    GLY   6           HN       GLY   6  -0.892   2.606  -4.635
   34    HA2  GLY   6           HA2      GLY   6  -0.578   4.781  -5.542
   35    HA3  GLY   6           HA1      GLY   6  -1.714   4.372  -6.824
   36    H    SER   7           HN       SER   7  -3.438   3.100  -4.682
   37    HA   SER   7           HA       SER   7  -4.924   5.495  -4.072
   38    HB2  SER   7           HB2      SER   7  -5.570   2.630  -3.374
   39    HB3  SER   7           HB1      SER   7  -6.694   3.988  -3.485
   40    HG   SER   7           HG       SER   7  -5.683   2.375  -5.416
   41    H    PHE   8           HN       PHE   8  -5.827   5.729  -1.846
   42    HA   PHE   8           HA       PHE   8  -3.766   5.980   0.047
   43    HB2  PHE   8           HB2      PHE   8  -5.699   7.499  -0.050
   44    HB3  PHE   8           HB1      PHE   8  -6.767   6.177   0.397
   45    HD1  PHE   8           HD1      PHE   8  -4.108   8.419   1.595
   46    HD2  PHE   8           HD2      PHE   8  -7.006   5.506   2.681
   47    HE1  PHE   8           HE1      PHE   8  -3.782   8.986   3.953
   48    HE2  PHE   8           HE2      PHE   8  -6.684   6.073   5.056
   49    HZ   PHE   8           HZ       PHE   8  -5.053   7.825   5.688
   50    H    CYS   9           HN       CYS   9  -3.061   4.661   1.567
   51    HA   CYS   9           HA       CYS   9  -4.728   2.348   2.285
   52    HB2  CYS   9           HB2      CYS   9  -2.705   1.024   2.515
   53    HB3  CYS   9           HB1      CYS   9  -2.845   1.660   0.881
   54    H    THR  10           HN       THR  10  -4.489   1.614   4.409
   55    HA   THR  10           HA       THR  10  -3.110   3.423   6.245
   56    HB   THR  10           HB       THR  10  -4.750   2.377   7.940
   57    HG1  THR  10           HG1      THR  10  -6.236   1.123   7.179
   58   HG21  THR  10          HG21      THR  10  -5.758   4.235   5.782
   59   HG22  THR  10          HG22      THR  10  -4.869   4.714   7.229
   60   HG23  THR  10          HG23      THR  10  -6.489   4.028   7.371
   61    H    LEU  11           HN       LEU  11  -3.748   0.139   5.285
   62    HA   LEU  11           HA       LEU  11  -1.573  -0.842   6.991
   63    HB2  LEU  11           HB2      LEU  11  -4.234  -2.168   6.522
   64    HB3  LEU  11           HB1      LEU  11  -2.894  -2.860   7.408
   65    HG   LEU  11           HG       LEU  11  -4.364  -0.366   8.244
   66   HD11  LEU  11          HD11      LEU  11  -5.830  -2.293   8.286
   67   HD12  LEU  11          HD12      LEU  11  -5.409  -1.794   9.926
   68   HD13  LEU  11          HD13      LEU  11  -4.626  -3.199   9.197
   69   HD21  LEU  11          HD21      LEU  11  -2.373  -2.121   9.688
   70   HD22  LEU  11          HD22      LEU  11  -3.231  -0.749  10.388
   71   HD23  LEU  11          HD23      LEU  11  -2.076  -0.491   9.086
   72    H    SER  12           HN       SER  12  -0.367  -2.494   6.053
   73    HA   SER  12           HA       SER  12  -0.059  -2.519   3.297
   74    HB2  SER  12           HB2      SER  12   1.390  -4.530   3.882
   75    HB3  SER  12           HB1      SER  12   1.777  -2.998   4.673
   76    HG   SER  12           HG       SER  12   1.069  -5.339   5.752
   77    H    LYS  13           HN       LYS  13  -1.873  -4.524   5.387
   78    HA   LYS  13           HA       LYS  13  -2.286  -6.852   3.884
   79    HB2  LYS  13           HB2      LYS  13  -4.089  -5.542   5.908
   80    HB3  LYS  13           HB1      LYS  13  -4.387  -7.122   5.216
   81    HG2  LYS  13           HG2      LYS  13  -3.452  -7.491   7.301
   82    HG3  LYS  13           HG1      LYS  13  -2.172  -7.797   6.116
   83    HD2  LYS  13           HD2      LYS  13  -1.187  -5.626   6.612
   84    HD3  LYS  13           HD1      LYS  13  -2.479  -5.281   7.772
   85    HE2  LYS  13           HE2      LYS  13  -0.465  -7.521   7.926
   86    HE3  LYS  13           HE1      LYS  13  -0.392  -6.023   8.843
   87    HZ1  LYS  13           HZ1      LYS  13  -2.549  -8.073   9.072
   88    HZ2  LYS  13           HZ2      LYS  13  -2.425  -6.657   9.995
   89    HZ3  LYS  13           HZ3      LYS  13  -1.269  -7.855  10.138
   90    H    GLY  14           HN       GLY  14  -3.895  -3.855   3.917
   91    HA2  GLY  14           HA2      GLY  14  -6.164  -4.629   2.345
   92    HA3  GLY  14           HA1      GLY  14  -5.674  -2.973   2.664
   93    H    CYS  15           HN       CYS  15  -3.001  -3.520   1.510
   94    HA   CYS  15           HA       CYS  15  -3.655  -2.647  -1.138
   95    HB2  CYS  15           HB2      CYS  15  -1.038  -3.330   0.139
   96    HB3  CYS  15           HB1      CYS  15  -1.225  -2.488  -1.399
   97    H    CYS  16           HN       CYS  16  -3.387  -3.708  -3.063
   98    HA   CYS  16           HA       CYS  16  -3.554  -6.499  -3.167
   99    HB2  CYS  16           HB2      CYS  16  -2.623  -4.634  -5.359
  100    HB3  CYS  16           HB1      CYS  16  -3.167  -6.291  -5.581
  101    H    THR  17           HN       THR  17  -0.701  -4.359  -3.348
  102    HA   THR  17           HA       THR  17   1.066  -6.523  -3.947
  103    HB   THR  17           HB       THR  17   2.731  -4.651  -3.486
  104    HG1  THR  17           HG1      THR  17   1.945  -2.702  -3.087
  105   HG21  THR  17          HG21      THR  17   0.620  -4.308  -5.624
  106   HG22  THR  17          HG22      THR  17   2.081  -5.298  -5.766
  107   HG23  THR  17          HG23      THR  17   2.202  -3.538  -5.626
  108    H    LYS  18           HN       LYS  18  -0.555  -5.767  -1.191
  109    HA   LYS  18           HA       LYS  18  -0.289  -5.965   1.019
  110    HB2  LYS  18           HB2      LYS  18   1.922  -7.811   0.127
  111    HB3  LYS  18           HB1      LYS  18   1.446  -7.633   1.809
  112    HG2  LYS  18           HG2      LYS  18  -0.402  -8.488  -0.400
  113    HG3  LYS  18           HG1      LYS  18   0.447  -9.596   0.682
  114    HD2  LYS  18           HD2      LYS  18  -0.668  -8.542   2.604
  115    HD3  LYS  18           HD1      LYS  18  -1.534  -7.468   1.511
  116    HE2  LYS  18           HE2      LYS  18  -2.883  -9.389   2.256
  117    HE3  LYS  18           HE1      LYS  18  -2.684  -9.322   0.508
  118    HZ1  LYS  18           HZ1      LYS  18  -1.046 -11.043   0.630
  119    HZ2  LYS  18           HZ2      LYS  18  -2.412 -11.563   1.464
  120    HZ3  LYS  18           HZ3      LYS  18  -1.061 -11.049   2.311
  121    H    ASN  19           HN       ASN  19   1.344  -3.911  -0.480
  122    HA   ASN  19           HA       ASN  19   3.009  -3.237   1.814
  123    HB2  ASN  19           HB2      ASN  19   4.569  -4.048   0.170
  124    HB3  ASN  19           HB1      ASN  19   3.853  -3.038  -1.082
  125   HD21  ASN  19          HD21      ASN  19   4.607  -1.057  -1.331
  126   HD22  ASN  19          HD22      ASN  19   5.778  -0.278  -0.323
  127    H    CYS  20           HN       CYS  20   2.153  -1.668   2.742
  128    HA   CYS  20           HA       CYS  20   0.972   0.543   1.226
  129    HB2  CYS  20           HB2      CYS  20  -0.478  -0.390   2.965
  130    HB3  CYS  20           HB1      CYS  20   0.811  -0.264   4.151
  131    H    GLY  21           HN       GLY  21   2.229   2.315   1.016
  132    HA2  GLY  21           HA2      GLY  21   4.785   2.247   2.314
  133    HA3  GLY  21           HA1      GLY  21   4.246   3.383   1.082
  134    H    TRP  22           HN       TRP  22   5.659   4.446   3.080
  135    HA   TRP  22           HA       TRP  22   3.936   5.330   5.168
  136    HB2  TRP  22           HB2      TRP  22   5.810   6.726   5.793
  137    HB3  TRP  22           HB1      TRP  22   6.322   5.080   5.767
  138    HD1  TRP  22           HD1      TRP  22   7.793   4.537   3.261
  139    HE1  TRP  22           HE1      TRP  22   9.560   6.122   2.223
  140    HE3  TRP  22           HE3      TRP  22   6.455   8.694   5.590
  141    HZ2  TRP  22           HZ2      TRP  22  10.273   8.846   2.398
  142    HZ3  TRP  22           HZ3      TRP  22   7.703  10.863   5.162
  143    HH2  TRP  22           HH2      TRP  22   9.581  10.893   3.586
  144    H    ASN  23           HN       ASN  23   4.158   5.991   2.060
  145    HA   ASN  23           HA       ASN  23   3.666   8.848   2.127
  146    HB2  ASN  23           HB2      ASN  23   3.581   8.672  -0.311
  147    HB3  ASN  23           HB1      ASN  23   5.024   7.871   0.293
  148   HD21  ASN  23          HD21      ASN  23   3.693   7.479  -2.251
  149   HD22  ASN  23          HD22      ASN  23   3.234   5.821  -2.298
  150    H    PHE  24           HN       PHE  24   1.958   6.252   2.928
  151    HA   PHE  24           HA       PHE  24  -0.211   5.813   3.326
  152    HB2  PHE  24           HB2      PHE  24  -0.714   8.660   2.376
  153    HB3  PHE  24           HB1      PHE  24  -1.915   7.625   3.121
  154    HD1  PHE  24           HD1      PHE  24   1.129   9.589   3.691
  155    HD2  PHE  24           HD2      PHE  24  -1.898   7.194   5.479
  156    HE1  PHE  24           HE1      PHE  24   1.827  10.378   5.913
  157    HE2  PHE  24           HE2      PHE  24  -1.201   7.982   7.706
  158    HZ   PHE  24           HZ       PHE  24   0.661   9.571   7.921
  159    H    LYS  25           HN       LYS  25   1.056   5.398   0.682
  160    HA   LYS  25           HA       LYS  25  -1.420   4.873  -0.789
  161    HB2  LYS  25           HB2      LYS  25   1.227   5.807  -1.784
  162    HB3  LYS  25           HB1      LYS  25   0.062   5.039  -2.859
  163    HG2  LYS  25           HG2      LYS  25  -1.510   6.839  -2.429
  164    HG3  LYS  25           HG1      LYS  25  -0.372   7.570  -1.289
  165    HD2  LYS  25           HD2      LYS  25   1.217   7.958  -3.043
  166    HD3  LYS  25           HD1      LYS  25   0.218   7.079  -4.201
  167    HE2  LYS  25           HE2      LYS  25  -0.647   9.569  -2.759
  168    HE3  LYS  25           HE1      LYS  25   0.073   9.568  -4.371
  169    HZ1  LYS  25           HZ1      LYS  25  -1.759   8.185  -5.131
  170    HZ2  LYS  25           HZ2      LYS  25  -2.330   9.644  -4.505
  171    HZ3  LYS  25           HZ3      LYS  25  -2.483   8.222  -3.611
  172    H    CYS  26           HN       CYS  26  -1.553   2.908  -1.677
  173    HA   CYS  26           HA       CYS  26   0.160   0.844  -0.792
  174    HB2  CYS  26           HB2      CYS  26  -1.947   0.964  -2.927
  175    HB3  CYS  26           HB1      CYS  26  -1.107  -0.544  -2.517
  176    H    ASN  27           HN       ASN  27   1.982   0.070  -1.649
  177    HA   ASN  27           HA       ASN  27   2.875   1.213  -4.201
  178    HB2  ASN  27           HB2      ASN  27   4.468   0.834  -1.658
  179    HB3  ASN  27           HB1      ASN  27   5.168   1.296  -3.202
  180   HD21  ASN  27          HD21      ASN  27   5.246   2.655  -0.668
  181   HD22  ASN  27          HD22      ASN  27   4.506   4.197  -0.881
  182    HA   HYP  28           HA       HYP  28   4.066  -3.119  -4.766
  183    HB2  HYP  28           HB1      HYP  28   4.557  -3.144  -7.026
  184    HB3  HYP  28           HB2      HYP  28   6.028  -2.198  -6.759
  185    HG   HYP  28           HG       HYP  28   4.653  -0.660  -7.940
  186   HD22  HYP  28          HD11      HYP  28   3.565   0.647  -5.928
  187   HD23  HYP  28          HD12      HYP  28   5.326   0.383  -5.865
  188    HD1  HYP  28           HD2      HYP  28   2.519  -0.415  -7.363
  189    HA   HYP  29           HA       HYP  29   7.791  -3.434  -2.554
  190    HB2  HYP  29           HB1      HYP  29   8.096  -5.688  -2.319
  191    HB3  HYP  29           HB2      HYP  29   8.800  -5.808  -3.938
  192    HG   HYP  29           HG       HYP  29   6.739  -6.957  -4.228
  193   HD22  HYP  29          HD11      HYP  29   5.196  -4.992  -5.107
  194   HD23  HYP  29          HD12      HYP  29   6.817  -5.115  -5.835
  195    HD1  HYP  29           HD2      HYP  29   4.849  -5.898  -3.379
  196    H    ASN  30           HN       ASN  30   8.647  -1.583  -3.480
  197    HA   ASN  30           HA       ASN  30  11.110  -2.044  -4.986
  198    HB2  ASN  30           HB2      ASN  30   9.263  -1.140  -6.504
  199    HB3  ASN  30           HB1      ASN  30   9.235   0.287  -5.486
  200   HD21  ASN  30          HD21      ASN  30   9.781   0.089  -8.316
  201   HD22  ASN  30          HD22      ASN  30  11.365   0.714  -8.568
  202    H    GLN  31           HN       GLN  31  11.869  -1.989  -2.773
  203    HA   GLN  31           HA       GLN  31  12.310   0.751  -1.905
  204    HB2  GLN  31           HB2      GLN  31  11.779  -1.633  -0.113
  205    HB3  GLN  31           HB1      GLN  31  12.488  -0.141   0.460
  206    HG2  GLN  31           HG2      GLN  31  10.249   0.015   1.065
  207    HG3  GLN  31           HG1      GLN  31  10.368   1.004  -0.380
  208   HE21  GLN  31          HE21      GLN  31  10.183  -2.507  -0.334
  209   HE22  GLN  31          HE22      GLN  31   8.597  -2.606  -1.002
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1 -12.482  -6.644  -2.102
    2    H2   GLY   1           HT2      GLY   1 -11.859  -8.188  -1.916
    3    H3   GLY   1           HT3      GLY   1 -13.010  -7.876  -3.129
    4    HA2  GLY   1           HA1      GLY   1 -10.760  -8.036  -4.037
    5    HA3  GLY   1           HA2      GLY   1 -11.447  -6.422  -4.238
    6    H    CYS   2           HN       CYS   2  -8.854  -6.389  -4.387
    7    HA   CYS   2           HA       CYS   2  -7.929  -5.692  -1.705
    8    HB2  CYS   2           HB2      CYS   2  -5.628  -5.998  -2.647
    9    HB3  CYS   2           HB1      CYS   2  -6.581  -7.475  -2.610
   10    H    ILE   3           HN       ILE   3  -6.715  -3.759  -1.498
   11    HA   ILE   3           HA       ILE   3  -7.708  -1.656  -3.146
   12    HB   ILE   3           HB       ILE   3  -5.610  -1.596  -0.951
   13   HG12  ILE   3          HG12      ILE   3  -8.554  -0.911  -0.853
   14   HG13  ILE   3          HG11      ILE   3  -7.842  -2.394  -0.231
   15   HG21  ILE   3          HG21      ILE   3  -7.139   0.670  -2.238
   16   HG22  ILE   3          HG22      ILE   3  -5.415   0.345  -2.417
   17   HG23  ILE   3          HG23      ILE   3  -6.065   0.818  -0.846
   18   HD11  ILE   3          HD11      ILE   3  -6.549  -1.126   1.350
   19   HD12  ILE   3          HD12      ILE   3  -8.275  -0.788   1.545
   20   HD13  ILE   3          HD13      ILE   3  -7.219   0.380   0.735
   21    H    ALA   4           HN       ALA   4  -6.788  -0.743  -4.812
   22    HA   ALA   4           HA       ALA   4  -4.509  -1.857  -6.053
   23    HB1  ALA   4           HB1      ALA   4  -5.991   0.685  -6.681
   24    HB2  ALA   4           HB2      ALA   4  -6.361  -0.910  -7.340
   25    HB3  ALA   4           HB3      ALA   4  -4.829  -0.122  -7.725
   26    H    THR   5           HN       THR   5  -2.517  -0.914  -6.430
   27    HA   THR   5           HA       THR   5  -1.567   0.681  -4.313
   28    HB   THR   5           HB       THR   5   0.594   0.482  -5.470
   29    HG1  THR   5           HG1      THR   5   0.267   0.342  -7.613
   30   HG21  THR   5          HG21      THR   5  -0.987  -2.067  -5.361
   31   HG22  THR   5          HG22      THR   5  -0.161  -1.288  -4.010
   32   HG23  THR   5          HG23      THR   5   0.771  -1.941  -5.358
   33    H    GLY   6           HN       GLY   6  -0.774   2.771  -4.456
   34    HA2  GLY   6           HA2      GLY   6  -0.601   4.879  -5.554
   35    HA3  GLY   6           HA1      GLY   6  -1.805   4.329  -6.723
   36    H    SER   7           HN       SER   7  -3.437   3.109  -4.559
   37    HA   SER   7           HA       SER   7  -4.879   5.494  -3.853
   38    HB2  SER   7           HB2      SER   7  -5.476   2.566  -3.360
   39    HB3  SER   7           HB1      SER   7  -6.597   3.904  -3.094
   40    HG   SER   7           HG       SER   7  -5.889   4.313  -5.465
   41    H    PHE   8           HN       PHE   8  -5.697   5.687  -1.598
   42    HA   PHE   8           HA       PHE   8  -3.518   5.855   0.184
   43    HB2  PHE   8           HB2      PHE   8  -5.282   7.509   0.192
   44    HB3  PHE   8           HB1      PHE   8  -6.486   6.287   0.567
   45    HD1  PHE   8           HD1      PHE   8  -3.513   8.043   1.907
   46    HD2  PHE   8           HD2      PHE   8  -6.985   5.759   2.797
   47    HE1  PHE   8           HE1      PHE   8  -3.218   8.530   4.297
   48    HE2  PHE   8           HE2      PHE   8  -6.694   6.237   5.186
   49    HZ   PHE   8           HZ       PHE   8  -4.804   7.626   5.941
   50    H    CYS   9           HN       CYS   9  -2.887   4.558   1.745
   51    HA   CYS   9           HA       CYS   9  -4.556   2.227   2.334
   52    HB2  CYS   9           HB2      CYS   9  -2.406   1.099   2.948
   53    HB3  CYS   9           HB1      CYS   9  -2.631   1.446   1.241
   54    H    THR  10           HN       THR  10  -5.036   1.764   4.352
   55    HA   THR  10           HA       THR  10  -3.850   3.329   6.505
   56    HB   THR  10           HB       THR  10  -5.784   2.209   7.803
   57    HG1  THR  10           HG1      THR  10  -7.356   1.967   5.633
   58   HG21  THR  10          HG21      THR  10  -5.842   4.575   7.130
   59   HG22  THR  10          HG22      THR  10  -7.440   3.841   6.989
   60   HG23  THR  10          HG23      THR  10  -6.459   4.103   5.547
   61    H    LEU  11           HN       LEU  11  -4.610   0.114   5.365
   62    HA   LEU  11           HA       LEU  11  -2.582  -1.033   7.132
   63    HB2  LEU  11           HB2      LEU  11  -5.163  -2.342   6.244
   64    HB3  LEU  11           HB1      LEU  11  -3.946  -3.061   7.275
   65    HG   LEU  11           HG       LEU  11  -5.652  -0.675   8.013
   66   HD11  LEU  11          HD11      LEU  11  -6.961  -2.723   7.867
   67   HD12  LEU  11          HD12      LEU  11  -6.784  -2.188   9.538
   68   HD13  LEU  11          HD13      LEU  11  -5.816  -3.534   8.939
   69   HD21  LEU  11          HD21      LEU  11  -3.718  -2.299   9.671
   70   HD22  LEU  11          HD22      LEU  11  -4.758  -1.009  10.270
   71   HD23  LEU  11          HD23      LEU  11  -3.471  -0.641   9.123
   72    H    SER  12           HN       SER  12  -1.074  -2.203   6.067
   73    HA   SER  12           HA       SER  12  -0.723  -1.988   3.313
   74    HB2  SER  12           HB2      SER  12   1.113  -3.671   3.856
   75    HB3  SER  12           HB1      SER  12   1.146  -2.124   4.712
   76    HG   SER  12           HG       SER  12   1.405  -4.120   5.980
   77    H    LYS  13           HN       LYS  13  -2.066  -4.478   5.275
   78    HA   LYS  13           HA       LYS  13  -1.859  -6.642   3.463
   79    HB2  LYS  13           HB2      LYS  13  -3.697  -6.268   5.829
   80    HB3  LYS  13           HB1      LYS  13  -3.532  -7.768   4.935
   81    HG2  LYS  13           HG2      LYS  13  -2.189  -8.091   6.791
   82    HG3  LYS  13           HG1      LYS  13  -1.096  -7.573   5.485
   83    HD2  LYS  13           HD2      LYS  13  -0.980  -5.341   6.389
   84    HD3  LYS  13           HD1      LYS  13  -2.159  -5.741   7.643
   85    HE2  LYS  13           HE2      LYS  13   0.587  -6.949   7.315
   86    HE3  LYS  13           HE1      LYS  13   0.169  -5.680   8.461
   87    HZ1  LYS  13           HZ1      LYS  13  -0.969  -8.427   8.456
   88    HZ2  LYS  13           HZ2      LYS  13  -1.314  -7.221   9.569
   89    HZ3  LYS  13           HZ3      LYS  13   0.228  -7.877   9.501
   90    H    GLY  14           HN       GLY  14  -3.996  -4.159   3.869
   91    HA2  GLY  14           HA2      GLY  14  -6.289  -5.187   2.494
   92    HA3  GLY  14           HA1      GLY  14  -5.974  -3.484   2.784
   93    H    CYS  15           HN       CYS  15  -3.315  -3.871   1.332
   94    HA   CYS  15           HA       CYS  15  -4.455  -3.274  -1.268
   95    HB2  CYS  15           HB2      CYS  15  -1.659  -2.952  -0.231
   96    HB3  CYS  15           HB1      CYS  15  -2.196  -2.497  -1.844
   97    H    CYS  16           HN       CYS  16  -3.722  -4.117  -3.175
   98    HA   CYS  16           HA       CYS  16  -3.567  -6.866  -3.303
   99    HB2  CYS  16           HB2      CYS  16  -2.591  -4.929  -5.407
  100    HB3  CYS  16           HB1      CYS  16  -3.068  -6.604  -5.669
  101    H    THR  17           HN       THR  17  -0.752  -4.541  -3.543
  102    HA   THR  17           HA       THR  17   1.106  -6.680  -3.880
  103    HB   THR  17           HB       THR  17   2.750  -4.831  -3.582
  104    HG1  THR  17           HG1      THR  17   1.976  -2.785  -3.251
  105   HG21  THR  17          HG21      THR  17   1.879  -5.371  -5.811
  106   HG22  THR  17          HG22      THR  17   2.065  -3.617  -5.638
  107   HG23  THR  17          HG23      THR  17   0.473  -4.351  -5.511
  108    H    LYS  18           HN       LYS  18  -0.530  -5.404  -1.247
  109    HA   LYS  18           HA       LYS  18  -0.420  -5.544   1.002
  110    HB2  LYS  18           HB2      LYS  18   1.879  -7.475   0.547
  111    HB3  LYS  18           HB1      LYS  18   1.017  -7.252   2.059
  112    HG2  LYS  18           HG2      LYS  18  -0.214  -8.279  -0.494
  113    HG3  LYS  18           HG1      LYS  18   0.345  -9.289   0.839
  114    HD2  LYS  18           HD2      LYS  18  -1.272  -8.259   2.316
  115    HD3  LYS  18           HD1      LYS  18  -1.810  -7.187   1.018
  116    HE2  LYS  18           HE2      LYS  18  -1.961 -10.195   0.976
  117    HE3  LYS  18           HE1      LYS  18  -3.304  -9.126   1.364
  118    HZ1  LYS  18           HZ1      LYS  18  -1.864  -9.153  -1.247
  119    HZ2  LYS  18           HZ2      LYS  18  -3.266  -8.273  -0.867
  120    HZ3  LYS  18           HZ3      LYS  18  -3.298  -9.936  -0.921
  121    H    ASN  19           HN       ASN  19   1.448  -3.809  -0.698
  122    HA   ASN  19           HA       ASN  19   3.379  -3.140   1.414
  123    HB2  ASN  19           HB2      ASN  19   4.489  -3.961  -0.577
  124    HB3  ASN  19           HB1      ASN  19   3.626  -2.799  -1.573
  125   HD21  ASN  19          HD21      ASN  19   5.562  -1.932  -2.328
  126   HD22  ASN  19          HD22      ASN  19   6.560  -0.938  -1.356
  127    H    CYS  20           HN       CYS  20   2.397  -1.589   2.535
  128    HA   CYS  20           HA       CYS  20   1.263   0.735   1.164
  129    HB2  CYS  20           HB2      CYS  20  -0.074  -0.190   2.984
  130    HB3  CYS  20           HB1      CYS  20   1.286  -0.082   4.095
  131    H    GLY  21           HN       GLY  21   2.451   2.555   0.930
  132    HA2  GLY  21           HA2      GLY  21   5.152   2.442   1.952
  133    HA3  GLY  21           HA1      GLY  21   4.549   3.523   0.707
  134    H    TRP  22           HN       TRP  22   6.144   4.664   2.373
  135    HA   TRP  22           HA       TRP  22   5.172   5.641   4.802
  136    HB2  TRP  22           HB2      TRP  22   7.000   7.181   4.672
  137    HB3  TRP  22           HB1      TRP  22   7.593   5.616   4.214
  138    HD1  TRP  22           HD1      TRP  22   7.250   5.518   1.130
  139    HE1  TRP  22           HE1      TRP  22   8.358   7.230  -0.412
  140    HE3  TRP  22           HE3      TRP  22   7.999   9.135   4.517
  141    HZ2  TRP  22           HZ2      TRP  22   9.449   9.852  -0.198
  142    HZ3  TRP  22           HZ3      TRP  22   9.099  11.278   3.816
  143    HH2  TRP  22           HH2      TRP  22   9.804  11.601   1.492
  144    H    ASN  23           HN       ASN  23   4.287   6.391   1.679
  145    HA   ASN  23           HA       ASN  23   3.546   9.162   2.206
  146    HB2  ASN  23           HB2      ASN  23   3.102   9.254  -0.210
  147    HB3  ASN  23           HB1      ASN  23   4.725   8.655   0.106
  148   HD21  ASN  23          HD21      ASN  23   3.175   8.315  -2.258
  149   HD22  ASN  23          HD22      ASN  23   2.954   6.623  -2.500
  150    H    PHE  24           HN       PHE  24   2.309   6.294   2.892
  151    HA   PHE  24           HA       PHE  24   0.324   5.423   3.336
  152    HB2  PHE  24           HB2      PHE  24  -0.442   8.315   3.266
  153    HB3  PHE  24           HB1      PHE  24  -1.681   7.079   3.465
  154    HD1  PHE  24           HD1      PHE  24   1.098   8.827   5.030
  155    HD2  PHE  24           HD2      PHE  24  -1.691   5.642   5.422
  156    HE1  PHE  24           HE1      PHE  24   1.587   8.694   7.441
  157    HE2  PHE  24           HE2      PHE  24  -1.209   5.504   7.829
  158    HZ   PHE  24           HZ       PHE  24   0.435   7.035   8.842
  159    H    LYS  25           HN       LYS  25   1.250   5.630   0.620
  160    HA   LYS  25           HA       LYS  25  -1.292   4.859  -0.609
  161    HB2  LYS  25           HB2      LYS  25   1.170   6.056  -1.783
  162    HB3  LYS  25           HB1      LYS  25  -0.051   5.282  -2.784
  163    HG2  LYS  25           HG2      LYS  25  -1.655   7.008  -2.071
  164    HG3  LYS  25           HG1      LYS  25  -0.386   7.761  -1.093
  165    HD2  LYS  25           HD2      LYS  25   0.953   8.178  -3.049
  166    HD3  LYS  25           HD1      LYS  25  -0.178   7.286  -4.062
  167    HE2  LYS  25           HE2      LYS  25  -0.780   9.834  -2.578
  168    HE3  LYS  25           HE1      LYS  25  -0.404   9.712  -4.295
  169    HZ1  LYS  25           HZ1      LYS  25  -2.786   8.600  -2.906
  170    HZ2  LYS  25           HZ2      LYS  25  -2.371   8.214  -4.484
  171    HZ3  LYS  25           HZ3      LYS  25  -2.756   9.805  -4.085
  172    H    CYS  26           HN       CYS  26  -1.198   2.866  -1.553
  173    HA   CYS  26           HA       CYS  26   1.029   1.294  -0.774
  174    HB2  CYS  26           HB2      CYS  26  -1.494   0.590  -2.219
  175    HB3  CYS  26           HB1      CYS  26  -0.186  -0.574  -2.038
  176    H    ASN  27           HN       ASN  27   2.454   0.190  -1.939
  177    HA   ASN  27           HA       ASN  27   3.099   1.408  -4.539
  178    HB2  ASN  27           HB2      ASN  27   4.869   0.807  -2.162
  179    HB3  ASN  27           HB1      ASN  27   5.511   1.103  -3.772
  180   HD21  ASN  27          HD21      ASN  27   5.851   2.574  -1.243
  181   HD22  ASN  27          HD22      ASN  27   5.370   4.193  -1.599
  182    HA   HYP  28           HA       HYP  28   3.867  -2.870  -5.775
  183    HB2  HYP  28           HB1      HYP  28   5.036  -2.742  -7.807
  184    HB3  HYP  28           HB2      HYP  28   6.345  -1.791  -7.084
  185    HG   HYP  28           HG       HYP  28   5.096  -0.229  -8.422
  186   HD22  HYP  28          HD11      HYP  28   3.769   0.891  -6.414
  187   HD23  HYP  28          HD12      HYP  28   5.522   0.656  -6.210
  188    HD1  HYP  28           HD2      HYP  28   2.839  -0.051  -7.949
  189    HA   HYP  29           HA       HYP  29   6.250  -4.337  -2.471
  190    HB2  HYP  29           HB1      HYP  29   5.427  -6.400  -2.822
  191    HB3  HYP  29           HB2      HYP  29   7.026  -6.724  -3.509
  192    HG   HYP  29           HG       HYP  29   5.939  -7.061  -5.547
  193   HD22  HYP  29          HD11      HYP  29   4.801  -4.689  -6.266
  194   HD23  HYP  29          HD12      HYP  29   6.568  -4.866  -6.190
  195    HD1  HYP  29           HD2      HYP  29   3.797  -6.101  -5.711
  196    H    ASN  30           HN       ASN  30   8.133  -3.419  -2.062
  197    HA   ASN  30           HA       ASN  30  10.491  -4.382  -3.455
  198    HB2  ASN  30           HB2      ASN  30   9.901  -2.249  -4.603
  199    HB3  ASN  30           HB1      ASN  30   9.939  -1.415  -3.060
  200   HD21  ASN  30          HD21      ASN  30  11.858  -0.644  -2.338
  201   HD22  ASN  30          HD22      ASN  30  13.362  -0.874  -3.133
  202    H    GLN  31           HN       GLN  31   9.554  -1.988  -1.034
  203    HA   GLN  31           HA       GLN  31  11.047  -3.511   0.974
  204    HB2  GLN  31           HB2      GLN  31  10.984  -0.481   0.788
  205    HB3  GLN  31           HB1      GLN  31  11.773  -1.423   2.038
  206    HG2  GLN  31           HG2      GLN  31  12.530  -1.317  -0.861
  207    HG3  GLN  31           HG1      GLN  31  13.383  -0.562   0.482
  208   HE21  GLN  31          HE21      GLN  31  14.138  -2.553  -1.509
  209   HE22  GLN  31          HE22      GLN  31  14.781  -3.880  -0.607
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1 -12.478  -7.820  -0.815
    2    H2   GLY   1           HT2      GLY   1 -11.949  -6.476   0.063
    3    H3   GLY   1           HT3      GLY   1 -10.943  -7.808  -0.100
    4    HA2  GLY   1           HA1      GLY   1 -10.779  -7.425  -2.464
    5    HA3  GLY   1           HA2      GLY   1 -11.837  -6.029  -2.283
    6    H    CYS   2           HN       CYS   2  -8.847  -6.596  -2.954
    7    HA   CYS   2           HA       CYS   2  -7.505  -5.117  -0.890
    8    HB2  CYS   2           HB2      CYS   2  -5.480  -5.468  -2.226
    9    HB3  CYS   2           HB1      CYS   2  -6.356  -6.972  -1.973
   10    H    ILE   3           HN       ILE   3  -6.304  -3.223  -1.250
   11    HA   ILE   3           HA       ILE   3  -7.668  -1.264  -2.871
   12    HB   ILE   3           HB       ILE   3  -5.220  -0.974  -1.086
   13   HG12  ILE   3          HG12      ILE   3  -8.102  -0.316  -0.497
   14   HG13  ILE   3          HG11      ILE   3  -7.250  -1.719   0.141
   15   HG21  ILE   3          HG21      ILE   3  -5.744   1.430  -1.133
   16   HG22  ILE   3          HG22      ILE   3  -7.062   1.113  -2.262
   17   HG23  ILE   3          HG23      ILE   3  -5.394   0.797  -2.744
   18   HD11  ILE   3          HD11      ILE   3  -5.716  -0.229   1.343
   19   HD12  ILE   3          HD12      ILE   3  -7.395   0.061   1.804
   20   HD13  ILE   3          HD13      ILE   3  -6.576   1.167   0.701
   21    H    ALA   4           HN       ALA   4  -7.036  -0.793  -4.839
   22    HA   ALA   4           HA       ALA   4  -4.826  -2.054  -6.078
   23    HB1  ALA   4           HB1      ALA   4  -6.472   0.272  -7.063
   24    HB2  ALA   4           HB2      ALA   4  -6.829  -1.436  -7.335
   25    HB3  ALA   4           HB3      ALA   4  -5.377  -0.713  -8.030
   26    H    THR   5           HN       THR   5  -2.911  -1.186  -6.784
   27    HA   THR   5           HA       THR   5  -1.814   0.640  -4.978
   28    HB   THR   5           HB       THR   5   0.225   0.463  -6.302
   29    HG1  THR   5           HG1      THR   5  -1.040  -1.606  -7.798
   30   HG21  THR   5          HG21      THR   5  -1.168  -2.096  -5.582
   31   HG22  THR   5          HG22      THR   5  -0.188  -1.069  -4.531
   32   HG23  THR   5          HG23      THR   5   0.561  -1.931  -5.870
   33    H    GLY   6           HN       GLY   6  -1.174   2.669  -5.153
   34    HA2  GLY   6           HA2      GLY   6  -0.931   4.704  -6.439
   35    HA3  GLY   6           HA1      GLY   6  -2.268   4.150  -7.448
   36    H    SER   7           HN       SER   7  -3.652   3.098  -4.999
   37    HA   SER   7           HA       SER   7  -4.886   5.611  -4.248
   38    HB2  SER   7           HB2      SER   7  -5.681   2.765  -3.607
   39    HB3  SER   7           HB1      SER   7  -6.650   4.207  -3.305
   40    HG   SER   7           HG       SER   7  -5.704   3.607  -5.882
   41    H    PHE   8           HN       PHE   8  -5.447   5.946  -1.985
   42    HA   PHE   8           HA       PHE   8  -3.274   5.898  -0.201
   43    HB2  PHE   8           HB2      PHE   8  -5.034   7.603  -0.181
   44    HB3  PHE   8           HB1      PHE   8  -6.234   6.390   0.216
   45    HD1  PHE   8           HD1      PHE   8  -3.389   8.342   1.496
   46    HD2  PHE   8           HD2      PHE   8  -6.562   5.676   2.481
   47    HE1  PHE   8           HE1      PHE   8  -3.088   8.862   3.881
   48    HE2  PHE   8           HE2      PHE   8  -6.254   6.186   4.863
   49    HZ   PHE   8           HZ       PHE   8  -4.521   7.777   5.566
   50    H    CYS   9           HN       CYS   9  -2.940   4.637   1.665
   51    HA   CYS   9           HA       CYS   9  -4.688   2.304   1.983
   52    HB2  CYS   9           HB2      CYS   9  -2.697   0.940   2.487
   53    HB3  CYS   9           HB1      CYS   9  -2.722   1.531   0.831
   54    H    THR  10           HN       THR  10  -5.043   1.619   4.064
   55    HA   THR  10           HA       THR  10  -3.971   3.303   6.166
   56    HB   THR  10           HB       THR  10  -5.814   2.075   7.470
   57    HG1  THR  10           HG1      THR  10  -7.396   1.129   6.169
   58   HG21  THR  10          HG21      THR  10  -6.043   4.406   6.679
   59   HG22  THR  10          HG22      THR  10  -7.574   3.542   6.561
   60   HG23  THR  10          HG23      THR  10  -6.601   3.812   5.116
   61    H    LEU  11           HN       LEU  11  -4.319  -0.021   5.086
   62    HA   LEU  11           HA       LEU  11  -2.375  -0.935   7.111
   63    HB2  LEU  11           HB2      LEU  11  -4.690  -2.476   5.944
   64    HB3  LEU  11           HB1      LEU  11  -3.582  -3.043   7.172
   65    HG   LEU  11           HG       LEU  11  -5.566  -0.793   7.538
   66   HD11  LEU  11          HD11      LEU  11  -6.789  -2.369   8.920
   67   HD12  LEU  11          HD12      LEU  11  -5.623  -3.629   8.529
   68   HD13  LEU  11          HD13      LEU  11  -6.653  -2.957   7.263
   69   HD21  LEU  11          HD21      LEU  11  -3.805  -2.224   9.520
   70   HD22  LEU  11          HD22      LEU  11  -5.008  -0.995   9.909
   71   HD23  LEU  11          HD23      LEU  11  -3.584  -0.567   8.960
   72    H    SER  12           HN       SER  12  -0.859  -2.521   6.343
   73    HA   SER  12           HA       SER  12  -0.176  -2.365   3.614
   74    HB2  SER  12           HB2      SER  12   1.469  -4.179   4.287
   75    HB3  SER  12           HB1      SER  12   1.569  -2.662   5.185
   76    HG   SER  12           HG       SER  12   0.834  -5.187   5.999
   77    H    LYS  13           HN       LYS  13  -1.857  -4.696   5.557
   78    HA   LYS  13           HA       LYS  13  -2.003  -6.647   3.515
   79    HB2  LYS  13           HB2      LYS  13  -3.656  -7.799   5.025
   80    HB3  LYS  13           HB1      LYS  13  -2.090  -7.477   5.730
   81    HG2  LYS  13           HG2      LYS  13  -3.720  -7.054   7.412
   82    HG3  LYS  13           HG1      LYS  13  -3.100  -5.495   6.894
   83    HD2  LYS  13           HD2      LYS  13  -5.516  -5.390   7.204
   84    HD3  LYS  13           HD1      LYS  13  -5.116  -5.184   5.502
   85    HE2  LYS  13           HE2      LYS  13  -5.724  -7.475   5.039
   86    HE3  LYS  13           HE1      LYS  13  -6.001  -7.785   6.754
   87    HZ1  LYS  13           HZ1      LYS  13  -7.543  -5.867   5.081
   88    HZ2  LYS  13           HZ2      LYS  13  -7.809  -6.210   6.701
   89    HZ3  LYS  13           HZ3      LYS  13  -8.062  -7.398   5.550
   90    H    GLY  14           HN       GLY  14  -3.409  -3.762   3.608
   91    HA2  GLY  14           HA2      GLY  14  -5.939  -4.594   2.489
   92    HA3  GLY  14           HA1      GLY  14  -5.427  -2.931   2.789
   93    H    CYS  15           HN       CYS  15  -2.839  -3.518   1.485
   94    HA   CYS  15           HA       CYS  15  -3.649  -2.638  -1.119
   95    HB2  CYS  15           HB2      CYS  15  -0.941  -3.239   0.031
   96    HB3  CYS  15           HB1      CYS  15  -1.232  -2.459  -1.522
   97    H    CYS  16           HN       CYS  16  -3.449  -3.682  -3.060
   98    HA   CYS  16           HA       CYS  16  -3.510  -6.486  -3.125
   99    HB2  CYS  16           HB2      CYS  16  -2.869  -4.603  -5.406
  100    HB3  CYS  16           HB1      CYS  16  -3.399  -6.271  -5.575
  101    H    THR  17           HN       THR  17  -0.741  -4.215  -3.491
  102    HA   THR  17           HA       THR  17   1.096  -6.300  -4.159
  103    HB   THR  17           HB       THR  17   2.714  -4.419  -3.546
  104    HG1  THR  17           HG1      THR  17   1.857  -2.478  -3.183
  105   HG21  THR  17          HG21      THR  17   0.679  -4.043  -5.749
  106   HG22  THR  17          HG22      THR  17   2.159  -4.999  -5.865
  107   HG23  THR  17          HG23      THR  17   2.248  -3.247  -5.672
  108    H    LYS  18           HN       LYS  18  -0.438  -5.458  -1.332
  109    HA   LYS  18           HA       LYS  18  -0.177  -5.787   0.871
  110    HB2  LYS  18           HB2      LYS  18   2.132  -7.545   0.026
  111    HB3  LYS  18           HB1      LYS  18   1.529  -7.446   1.669
  112    HG2  LYS  18           HG2      LYS  18  -0.063  -8.352  -0.716
  113    HG3  LYS  18           HG1      LYS  18   0.725  -9.428   0.430
  114    HD2  LYS  18           HD2      LYS  18  -1.497  -7.466   1.059
  115    HD3  LYS  18           HD1      LYS  18  -1.667  -9.210   0.905
  116    HE2  LYS  18           HE2      LYS  18  -0.048  -7.751   3.005
  117    HE3  LYS  18           HE1      LYS  18  -1.588  -8.566   3.241
  118    HZ1  LYS  18           HZ1      LYS  18  -0.526 -10.664   2.701
  119    HZ2  LYS  18           HZ2      LYS  18   0.216  -9.901   4.000
  120    HZ3  LYS  18           HZ3      LYS  18   0.967  -9.886   2.505
  121    H    ASN  19           HN       ASN  19   1.596  -3.775  -0.722
  122    HA   ASN  19           HA       ASN  19   3.287  -3.111   1.575
  123    HB2  ASN  19           HB2      ASN  19   4.714  -3.636  -0.335
  124    HB3  ASN  19           HB1      ASN  19   3.827  -2.491  -1.340
  125   HD21  ASN  19          HD21      ASN  19   5.632  -1.181  -1.767
  126   HD22  ASN  19          HD22      ASN  19   6.308  -0.177  -0.547
  127    H    CYS  20           HN       CYS  20   2.606  -1.484   2.630
  128    HA   CYS  20           HA       CYS  20   1.228   0.723   1.280
  129    HB2  CYS  20           HB2      CYS  20  -0.225  -0.485   2.867
  130    HB3  CYS  20           HB1      CYS  20   0.989  -0.325   4.130
  131    H    GLY  21           HN       GLY  21   2.620   2.397   1.141
  132    HA2  GLY  21           HA2      GLY  21   5.079   2.301   2.673
  133    HA3  GLY  21           HA1      GLY  21   4.664   3.456   1.418
  134    H    TRP  22           HN       TRP  22   5.911   4.539   3.544
  135    HA   TRP  22           HA       TRP  22   4.003   5.401   5.435
  136    HB2  TRP  22           HB2      TRP  22   5.740   6.881   6.225
  137    HB3  TRP  22           HB1      TRP  22   6.343   5.263   6.236
  138    HD1  TRP  22           HD1      TRP  22   7.887   4.912   3.621
  139    HE1  TRP  22           HE1      TRP  22   9.737   6.533   2.875
  140    HE3  TRP  22           HE3      TRP  22   6.578   8.827   6.441
  141    HZ2  TRP  22           HZ2      TRP  22  10.551   9.202   3.458
  142    HZ3  TRP  22           HZ3      TRP  22   7.925  10.945   6.351
  143    HH2  TRP  22           HH2      TRP  22   9.883  11.098   4.876
  144    H    ASN  23           HN       ASN  23   4.461   6.104   2.308
  145    HA   ASN  23           HA       ASN  23   3.600   8.865   2.326
  146    HB2  ASN  23           HB2      ASN  23   3.385   8.584  -0.117
  147    HB3  ASN  23           HB1      ASN  23   4.940   7.968   0.405
  148   HD21  ASN  23          HD21      ASN  23   3.695   7.332  -2.025
  149   HD22  ASN  23          HD22      ASN  23   3.342   5.640  -2.041
  150    H    PHE  24           HN       PHE  24   2.311   5.876   2.897
  151    HA   PHE  24           HA       PHE  24   0.380   4.967   3.215
  152    HB2  PHE  24           HB2      PHE  24  -0.389   7.824   3.600
  153    HB3  PHE  24           HB1      PHE  24  -1.619   6.563   3.683
  154    HD1  PHE  24           HD1      PHE  24   1.573   7.722   5.174
  155    HD2  PHE  24           HD2      PHE  24  -1.834   5.211   5.568
  156    HE1  PHE  24           HE1      PHE  24   2.208   7.244   7.494
  157    HE2  PHE  24           HE2      PHE  24  -1.209   4.724   7.901
  158    HZ   PHE  24           HZ       PHE  24   0.820   5.739   8.865
  159    H    LYS  25           HN       LYS  25   1.186   4.982   0.748
  160    HA   LYS  25           HA       LYS  25  -1.373   4.735  -0.612
  161    HB2  LYS  25           HB2      LYS  25   1.258   5.597  -1.789
  162    HB3  LYS  25           HB1      LYS  25  -0.179   5.201  -2.722
  163    HG2  LYS  25           HG2      LYS  25  -1.353   7.087  -1.693
  164    HG3  LYS  25           HG1      LYS  25   0.080   7.450  -0.733
  165    HD2  LYS  25           HD2      LYS  25  -0.014   8.944  -2.625
  166    HD3  LYS  25           HD1      LYS  25   1.337   7.826  -2.818
  167    HE2  LYS  25           HE2      LYS  25   0.049   6.493  -4.374
  168    HE3  LYS  25           HE1      LYS  25  -1.370   7.503  -4.111
  169    HZ1  LYS  25           HZ1      LYS  25   1.189   8.338  -5.347
  170    HZ2  LYS  25           HZ2      LYS  25  -0.094   9.368  -5.003
  171    HZ3  LYS  25           HZ3      LYS  25  -0.294   8.131  -6.130
  172    H    CYS  26           HN       CYS  26  -1.477   2.889  -1.892
  173    HA   CYS  26           HA       CYS  26   0.200   0.762  -1.033
  174    HB2  CYS  26           HB2      CYS  26  -1.930   0.955  -3.142
  175    HB3  CYS  26           HB1      CYS  26  -1.125  -0.564  -2.727
  176    H    ASN  27           HN       ASN  27   2.100   0.349  -1.770
  177    HA   ASN  27           HA       ASN  27   2.929   1.445  -4.384
  178    HB2  ASN  27           HB2      ASN  27   4.629   0.934  -1.918
  179    HB3  ASN  27           HB1      ASN  27   5.195   1.615  -3.431
  180   HD21  ASN  27          HD21      ASN  27   5.395   2.663  -0.782
  181   HD22  ASN  27          HD22      ASN  27   4.574   4.183  -0.743
  182    HA   HYP  28           HA       HYP  28   4.267  -2.856  -5.193
  183    HB2  HYP  28           HB1      HYP  28   5.272  -2.676  -7.285
  184    HB3  HYP  28           HB2      HYP  28   6.632  -1.781  -6.598
  185    HG   HYP  28           HG       HYP  28   5.583  -0.127  -7.910
  186   HD22  HYP  28          HD11      HYP  28   4.008   1.010  -6.086
  187   HD23  HYP  28          HD12      HYP  28   5.718   0.756  -5.666
  188    HD1  HYP  28           HD2      HYP  28   3.228   0.056  -7.581
  189    HA   HYP  29           HA       HYP  29   7.334  -3.712  -2.124
  190    HB2  HYP  29           HB1      HYP  29   7.888  -5.917  -2.404
  191    HB3  HYP  29           HB2      HYP  29   8.933  -5.518  -3.773
  192    HG   HYP  29           HG       HYP  29   7.210  -6.707  -4.855
  193   HD22  HYP  29          HD11      HYP  29   5.540  -4.740  -5.522
  194   HD23  HYP  29          HD12      HYP  29   7.265  -4.515  -5.895
  195    HD1  HYP  29           HD2      HYP  29   5.014  -5.784  -4.069
  196    H    ASN  30           HN       ASN  30   8.735  -2.181  -1.656
  197    HA   ASN  30           HA       ASN  30  11.166  -1.839  -3.167
  198    HB2  ASN  30           HB2      ASN  30   9.577  -0.401  -4.436
  199    HB3  ASN  30           HB1      ASN  30   9.263   0.498  -2.954
  200   HD21  ASN  30          HD21      ASN  30  10.015   2.438  -3.788
  201   HD22  ASN  30          HD22      ASN  30  11.683   2.745  -4.056
  202    H    GLN  31           HN       GLN  31   9.039  -0.673  -0.590
  203    HA   GLN  31           HA       GLN  31  11.163   0.587   0.862
  204    HB2  GLN  31           HB2      GLN  31   8.336  -0.126   1.690
  205    HB3  GLN  31           HB1      GLN  31   9.471   0.685   2.741
  206    HG2  GLN  31           HG2      GLN  31   7.948   2.304   1.879
  207    HG3  GLN  31           HG1      GLN  31   9.506   2.584   1.121
  208   HE21  GLN  31          HE21      GLN  31   9.687   2.294  -1.059
  209   HE22  GLN  31          HE22      GLN  31   8.323   2.067  -2.101
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1 -10.244  -8.908  -3.423
    2    H2   GLY   1           HT2      GLY   1 -11.909  -8.856  -3.692
    3    H3   GLY   1           HT3      GLY   1 -11.295  -8.705  -2.119
    4    HA2  GLY   1           HA1      GLY   1 -10.888  -6.764  -4.304
    5    HA3  GLY   1           HA2      GLY   1 -11.972  -6.577  -2.930
    6    H    CYS   2           HN       CYS   2  -9.084  -5.616  -4.054
    7    HA   CYS   2           HA       CYS   2  -8.062  -5.192  -1.354
    8    HB2  CYS   2           HB2      CYS   2  -5.746  -5.460  -2.335
    9    HB3  CYS   2           HB1      CYS   2  -6.681  -6.943  -2.201
   10    H    ILE   3           HN       ILE   3  -6.463  -3.342  -1.330
   11    HA   ILE   3           HA       ILE   3  -7.516  -1.183  -2.921
   12    HB   ILE   3           HB       ILE   3  -5.181  -1.109  -0.970
   13   HG12  ILE   3          HG12      ILE   3  -8.071  -0.393  -0.516
   14   HG13  ILE   3          HG11      ILE   3  -7.284  -1.837   0.123
   15   HG21  ILE   3          HG21      ILE   3  -6.900   1.095  -2.124
   16   HG22  ILE   3          HG22      ILE   3  -5.220   0.755  -2.541
   17   HG23  ILE   3          HG23      ILE   3  -5.630   1.311  -0.918
   18   HD11  ILE   3          HD11      ILE   3  -7.474  -0.122   1.837
   19   HD12  ILE   3          HD12      ILE   3  -6.607   1.018   0.809
   20   HD13  ILE   3          HD13      ILE   3  -5.779  -0.408   1.436
   21    H    ALA   4           HN       ALA   4  -6.772  -0.714  -4.804
   22    HA   ALA   4           HA       ALA   4  -4.534  -1.970  -5.990
   23    HB1  ALA   4           HB1      ALA   4  -4.959  -0.498  -7.901
   24    HB2  ALA   4           HB2      ALA   4  -6.062   0.467  -6.922
   25    HB3  ALA   4           HB3      ALA   4  -6.463  -1.207  -7.311
   26    H    THR   5           HN       THR   5  -2.565  -1.041  -6.612
   27    HA   THR   5           HA       THR   5  -1.543   0.619  -4.604
   28    HB   THR   5           HB       THR   5   0.560   0.469  -5.796
   29    HG1  THR   5           HG1      THR   5  -0.378  -1.512  -7.514
   30   HG21  THR   5          HG21      THR   5  -0.947  -2.083  -5.343
   31   HG22  THR   5          HG22      THR   5   0.023  -1.172  -4.186
   32   HG23  THR   5          HG23      THR   5   0.799  -1.973  -5.547
   33    H    GLY   6           HN       GLY   6  -0.810   2.674  -4.641
   34    HA2  GLY   6           HA2      GLY   6  -0.505   4.796  -5.700
   35    HA3  GLY   6           HA1      GLY   6  -1.668   4.302  -6.931
   36    H    SER   7           HN       SER   7  -3.318   3.089  -4.725
   37    HA   SER   7           HA       SER   7  -4.757   5.498  -4.069
   38    HB2  SER   7           HB2      SER   7  -5.451   2.581  -3.690
   39    HB3  SER   7           HB1      SER   7  -6.558   3.940  -3.479
   40    HG   SER   7           HG       SER   7  -5.431   4.214  -5.828
   41    H    PHE   8           HN       PHE   8  -5.549   5.788  -1.899
   42    HA   PHE   8           HA       PHE   8  -3.521   5.763   0.066
   43    HB2  PHE   8           HB2      PHE   8  -5.262   7.489  -0.102
   44    HB3  PHE   8           HB1      PHE   8  -6.493   6.299   0.270
   45    HD1  PHE   8           HD1      PHE   8  -6.930   5.649   2.538
   46    HD2  PHE   8           HD2      PHE   8  -3.704   8.269   1.628
   47    HE1  PHE   8           HE1      PHE   8  -6.731   6.226   4.913
   48    HE2  PHE   8           HE2      PHE   8  -3.500   8.840   4.005
   49    HZ   PHE   8           HZ       PHE   8  -5.012   7.823   5.649
   50    H    CYS   9           HN       CYS   9  -3.171   4.413   1.765
   51    HA   CYS   9           HA       CYS   9  -4.904   2.019   1.998
   52    HB2  CYS   9           HB2      CYS   9  -3.035   0.697   2.353
   53    HB3  CYS   9           HB1      CYS   9  -2.348   1.880   1.245
   54    H    THR  10           HN       THR  10  -5.139   1.259   4.203
   55    HA   THR  10           HA       THR  10  -4.211   3.206   6.138
   56    HB   THR  10           HB       THR  10  -6.001   2.306   7.685
   57    HG1  THR  10           HG1      THR  10  -7.273   0.790   7.040
   58   HG21  THR  10          HG21      THR  10  -6.254   4.378   6.374
   59   HG22  THR  10          HG22      THR  10  -7.803   3.558   6.604
   60   HG23  THR  10          HG23      THR  10  -6.958   3.448   5.057
   61    H    LEU  11           HN       LEU  11  -4.138  -0.058   5.111
   62    HA   LEU  11           HA       LEU  11  -1.989  -0.635   6.974
   63    HB2  LEU  11           HB2      LEU  11  -4.338  -2.450   6.354
   64    HB3  LEU  11           HB1      LEU  11  -2.900  -2.944   7.213
   65    HG   LEU  11           HG       LEU  11  -4.902  -0.909   8.210
   66   HD11  LEU  11          HD11      LEU  11  -4.437  -3.775   9.018
   67   HD12  LEU  11          HD12      LEU  11  -5.828  -3.160   8.128
   68   HD13  LEU  11          HD13      LEU  11  -5.551  -2.649   9.794
   69   HD21  LEU  11          HD21      LEU  11  -2.536  -2.203   9.574
   70   HD22  LEU  11          HD22      LEU  11  -3.704  -1.125  10.337
   71   HD23  LEU  11          HD23      LEU  11  -2.642  -0.516   9.070
   72    H    SER  12           HN       SER  12  -0.463  -2.065   5.978
   73    HA   SER  12           HA       SER  12  -0.234  -1.884   3.195
   74    HB2  SER  12           HB2      SER  12   1.548  -3.718   3.713
   75    HB3  SER  12           HB1      SER  12   1.771  -2.063   4.279
   76    HG   SER  12           HG       SER  12   2.054  -3.105   6.092
   77    H    LYS  13           HN       LYS  13  -1.501  -4.347   5.288
   78    HA   LYS  13           HA       LYS  13  -1.600  -6.377   3.328
   79    HB2  LYS  13           HB2      LYS  13  -2.992  -7.631   4.948
   80    HB3  LYS  13           HB1      LYS  13  -1.483  -7.043   5.601
   81    HG2  LYS  13           HG2      LYS  13  -3.075  -6.753   7.303
   82    HG3  LYS  13           HG1      LYS  13  -2.796  -5.150   6.639
   83    HD2  LYS  13           HD2      LYS  13  -5.150  -5.444   7.048
   84    HD3  LYS  13           HD1      LYS  13  -4.863  -5.379   5.313
   85    HE2  LYS  13           HE2      LYS  13  -6.479  -7.137   5.877
   86    HE3  LYS  13           HE1      LYS  13  -5.027  -7.821   5.171
   87    HZ1  LYS  13           HZ1      LYS  13  -5.845  -9.056   7.123
   88    HZ2  LYS  13           HZ2      LYS  13  -5.569  -7.706   8.095
   89    HZ3  LYS  13           HZ3      LYS  13  -4.280  -8.491   7.353
   90    H    GLY  14           HN       GLY  14  -3.505  -3.646   3.601
   91    HA2  GLY  14           HA2      GLY  14  -5.913  -4.864   2.544
   92    HA3  GLY  14           HA1      GLY  14  -5.628  -3.143   2.804
   93    H    CYS  15           HN       CYS  15  -2.989  -3.605   1.435
   94    HA   CYS  15           HA       CYS  15  -3.820  -2.710  -1.143
   95    HB2  CYS  15           HB2      CYS  15  -1.099  -3.396  -0.070
   96    HB3  CYS  15           HB1      CYS  15  -1.445  -2.450  -1.516
   97    H    CYS  16           HN       CYS  16  -3.498  -3.742  -3.089
   98    HA   CYS  16           HA       CYS  16  -3.733  -6.518  -3.203
   99    HB2  CYS  16           HB2      CYS  16  -2.823  -4.620  -5.367
  100    HB3  CYS  16           HB1      CYS  16  -3.393  -6.269  -5.625
  101    H    THR  17           HN       THR  17  -0.790  -4.448  -3.472
  102    HA   THR  17           HA       THR  17   0.918  -6.661  -4.026
  103    HB   THR  17           HB       THR  17   2.628  -4.885  -3.486
  104    HG1  THR  17           HG1      THR  17   1.846  -2.859  -3.071
  105   HG21  THR  17          HG21      THR  17   1.878  -5.361  -5.763
  106   HG22  THR  17          HG22      THR  17   2.098  -3.623  -5.548
  107   HG23  THR  17          HG23      THR  17   0.478  -4.317  -5.535
  108    H    LYS  18           HN       LYS  18  -0.693  -5.680  -1.283
  109    HA   LYS  18           HA       LYS  18  -0.550  -5.957   0.937
  110    HB2  LYS  18           HB2      LYS  18   1.645  -7.928   0.253
  111    HB3  LYS  18           HB1      LYS  18   0.864  -7.787   1.819
  112    HG2  LYS  18           HG2      LYS  18  -0.533  -8.529  -0.744
  113    HG3  LYS  18           HG1      LYS  18   0.027  -9.676   0.473
  114    HD2  LYS  18           HD2      LYS  18  -1.480  -8.677   2.117
  115    HD3  LYS  18           HD1      LYS  18  -2.000  -7.484   0.930
  116    HE2  LYS  18           HE2      LYS  18  -3.608  -9.319   1.175
  117    HE3  LYS  18           HE1      LYS  18  -2.949  -9.208  -0.452
  118    HZ1  LYS  18           HZ1      LYS  18  -3.091 -11.476   0.327
  119    HZ2  LYS  18           HZ2      LYS  18  -2.059 -11.167   1.619
  120    HZ3  LYS  18           HZ3      LYS  18  -1.491 -11.068   0.037
  121    H    ASN  19           HN       ASN  19   1.220  -4.066  -0.569
  122    HA   ASN  19           HA       ASN  19   3.070  -3.463   1.635
  123    HB2  ASN  19           HB2      ASN  19   4.294  -4.422  -0.309
  124    HB3  ASN  19           HB1      ASN  19   3.661  -3.117  -1.306
  125   HD21  ASN  19          HD21      ASN  19   5.635  -2.178  -1.760
  126   HD22  ASN  19          HD22      ASN  19   6.589  -1.398  -0.564
  127    H    CYS  20           HN       CYS  20   2.899  -1.442   2.362
  128    HA   CYS  20           HA       CYS  20   1.907   0.639   0.590
  129    HB2  CYS  20           HB2      CYS  20   0.034  -0.102   2.096
  130    HB3  CYS  20           HB1      CYS  20   1.064   0.241   3.476
  131    H    GLY  21           HN       GLY  21   2.874   2.676   1.069
  132    HA2  GLY  21           HA2      GLY  21   5.276   2.373   2.757
  133    HA3  GLY  21           HA1      GLY  21   5.164   3.427   1.356
  134    H    TRP  22           HN       TRP  22   6.118   4.872   3.146
  135    HA   TRP  22           HA       TRP  22   4.503   5.845   5.233
  136    HB2  TRP  22           HB2      TRP  22   6.139   7.505   5.496
  137    HB3  TRP  22           HB1      TRP  22   7.041   6.075   5.135
  138    HD1  TRP  22           HD1      TRP  22   7.448   6.064   2.091
  139    HE1  TRP  22           HE1      TRP  22   8.486   8.042   0.825
  140    HE3  TRP  22           HE3      TRP  22   6.657   9.605   5.527
  141    HZ2  TRP  22           HZ2      TRP  22   8.932  10.809   1.263
  142    HZ3  TRP  22           HZ3      TRP  22   7.415  11.964   5.086
  143    HH2  TRP  22           HH2      TRP  22   8.534  12.522   2.982
  144    H    ASN  23           HN       ASN  23   4.317   6.258   1.970
  145    HA   ASN  23           HA       ASN  23   3.375   8.976   1.841
  146    HB2  ASN  23           HB2      ASN  23   3.000   8.499  -0.542
  147    HB3  ASN  23           HB1      ASN  23   4.605   7.969  -0.058
  148   HD21  ASN  23          HD21      ASN  23   3.058   7.088  -2.337
  149   HD22  ASN  23          HD22      ASN  23   2.814   5.391  -2.143
  150    H    PHE  24           HN       PHE  24   2.093   6.196   3.005
  151    HA   PHE  24           HA       PHE  24   0.063   5.495   3.632
  152    HB2  PHE  24           HB2      PHE  24  -0.622   8.351   2.984
  153    HB3  PHE  24           HB1      PHE  24  -1.883   7.213   3.437
  154    HD1  PHE  24           HD1      PHE  24  -2.325   6.763   5.674
  155    HD2  PHE  24           HD2      PHE  24   1.317   8.691   4.611
  156    HE1  PHE  24           HE1      PHE  24  -1.848   7.162   8.048
  157    HE2  PHE  24           HE2      PHE  24   1.798   9.098   6.991
  158    HZ   PHE  24           HZ       PHE  24   0.209   8.330   8.714
  159    H    LYS  25           HN       LYS  25   1.022   5.244   0.877
  160    HA   LYS  25           HA       LYS  25  -1.556   4.570  -0.309
  161    HB2  LYS  25           HB2      LYS  25   0.828   5.771  -1.704
  162    HB3  LYS  25           HB1      LYS  25  -0.541   5.050  -2.533
  163    HG2  LYS  25           HG2      LYS  25  -2.016   6.737  -1.616
  164    HG3  LYS  25           HG1      LYS  25  -0.676   7.430  -0.695
  165    HD2  LYS  25           HD2      LYS  25   0.493   7.950  -2.750
  166    HD3  LYS  25           HD1      LYS  25  -0.789   7.186  -3.689
  167    HE2  LYS  25           HE2      LYS  25  -2.373   8.844  -2.935
  168    HE3  LYS  25           HE1      LYS  25  -1.157   9.583  -1.901
  169    HZ1  LYS  25           HZ1      LYS  25  -1.447  10.764  -4.016
  170    HZ2  LYS  25           HZ2      LYS  25  -0.977   9.379  -4.849
  171    HZ3  LYS  25           HZ3      LYS  25   0.121  10.162  -3.846
  172    H    CYS  26           HN       CYS  26  -1.583   2.753  -1.506
  173    HA   CYS  26           HA       CYS  26   0.169   0.696  -0.722
  174    HB2  CYS  26           HB2      CYS  26  -1.928   0.899  -2.851
  175    HB3  CYS  26           HB1      CYS  26  -1.142  -0.624  -2.401
  176    H    ASN  27           HN       ASN  27   1.931  -0.089  -1.699
  177    HA   ASN  27           HA       ASN  27   2.768   1.199  -4.208
  178    HB2  ASN  27           HB2      ASN  27   4.427   0.706  -1.728
  179    HB3  ASN  27           HB1      ASN  27   5.085   1.224  -3.275
  180   HD21  ASN  27          HD21      ASN  27   5.164   2.507  -0.685
  181   HD22  ASN  27          HD22      ASN  27   4.424   4.059  -0.865
  182    HA   HYP  28           HA       HYP  28   3.847  -2.814  -5.884
  183    HB2  HYP  28           HB1      HYP  28   5.638  -2.466  -7.364
  184    HB3  HYP  28           HB2      HYP  28   6.512  -1.447  -6.210
  185    HG   HYP  28           HG       HYP  28   5.521   0.134  -7.681
  186   HD22  HYP  28          HD11      HYP  28   3.169   0.469  -6.241
  187   HD23  HYP  28          HD12      HYP  28   4.743   0.997  -5.622
  188    HD1  HYP  28           HD2      HYP  28   3.398  -0.043  -8.286
  189    HA   HYP  29           HA       HYP  29   5.499  -5.101  -2.473
  190    HB2  HYP  29           HB1      HYP  29   4.944  -7.095  -3.434
  191    HB3  HYP  29           HB2      HYP  29   6.634  -7.176  -3.944
  192    HG   HYP  29           HG       HYP  29   5.826  -7.060  -6.101
  193   HD22  HYP  29          HD11      HYP  29   4.755  -4.585  -6.441
  194   HD23  HYP  29          HD12      HYP  29   6.494  -4.777  -6.124
  195    HD1  HYP  29           HD2      HYP  29   3.645  -5.988  -6.247
  196    H    ASN  30           HN       ASN  30   7.246  -4.483  -1.381
  197    HA   ASN  30           HA       ASN  30   9.891  -4.768  -2.460
  198    HB2  ASN  30           HB2      ASN  30   9.268  -2.501  -3.227
  199    HB3  ASN  30           HB1      ASN  30   8.827  -2.069  -1.579
  200   HD21  ASN  30          HD21      ASN  30  10.456  -1.663  -0.077
  201   HD22  ASN  30          HD22      ASN  30  12.096  -1.428  -0.533
  202    H    GLN  31           HN       GLN  31  10.911  -5.697  -0.859
  203    HA   GLN  31           HA       GLN  31  10.019  -5.251   1.887
  204    HB2  GLN  31           HB2      GLN  31  11.815  -7.385   0.711
  205    HB3  GLN  31           HB1      GLN  31  11.346  -7.278   2.400
  206    HG2  GLN  31           HG2      GLN  31   9.015  -7.630   1.780
  207    HG3  GLN  31           HG1      GLN  31   9.476  -7.711   0.082
  208   HE21  GLN  31          HE21      GLN  31  10.545  -9.534  -0.675
  209   HE22  GLN  31          HE22      GLN  31  10.611 -10.993   0.234
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1 -12.542  -6.445  -2.288
    2    H2   GLY   1           HT2      GLY   1 -13.097  -6.530  -3.894
    3    H3   GLY   1           HT3      GLY   1 -12.476  -5.088  -3.269
    4    HA2  GLY   1           HA1      GLY   1 -10.892  -7.533  -3.614
    5    HA3  GLY   1           HA2      GLY   1 -10.871  -6.140  -4.691
    6    H    CYS   2           HN       CYS   2  -8.585  -6.092  -4.109
    7    HA   CYS   2           HA       CYS   2  -7.953  -5.233  -1.405
    8    HB2  CYS   2           HB2      CYS   2  -5.597  -5.345  -2.330
    9    HB3  CYS   2           HB1      CYS   2  -6.482  -6.867  -2.273
   10    H    ILE   3           HN       ILE   3  -6.364  -3.384  -1.208
   11    HA   ILE   3           HA       ILE   3  -7.410  -1.095  -2.573
   12    HB   ILE   3           HB       ILE   3  -5.002  -1.270  -0.713
   13   HG12  ILE   3          HG12      ILE   3  -7.853  -0.495  -0.093
   14   HG13  ILE   3          HG11      ILE   3  -7.097  -2.019   0.359
   15   HG21  ILE   3          HG21      ILE   3  -6.628   1.093  -1.646
   16   HG22  ILE   3          HG22      ILE   3  -4.955   0.721  -2.074
   17   HG23  ILE   3          HG23      ILE   3  -5.368   1.148  -0.414
   18   HD11  ILE   3          HD11      ILE   3  -5.514  -0.821   1.775
   19   HD12  ILE   3          HD12      ILE   3  -7.181  -0.475   2.237
   20   HD13  ILE   3          HD13      ILE   3  -6.258   0.711   1.312
   21    H    ALA   4           HN       ALA   4  -6.783  -0.497  -4.455
   22    HA   ALA   4           HA       ALA   4  -4.755  -1.754  -5.945
   23    HB1  ALA   4           HB1      ALA   4  -6.726  -0.735  -6.980
   24    HB2  ALA   4           HB2      ALA   4  -5.234  -0.081  -7.657
   25    HB3  ALA   4           HB3      ALA   4  -6.156   0.861  -6.489
   26    H    THR   5           HN       THR   5  -2.828  -0.759  -6.853
   27    HA   THR   5           HA       THR   5  -1.561   0.616  -4.740
   28    HB   THR   5           HB       THR   5   0.508   0.357  -5.984
   29    HG1  THR   5           HG1      THR   5   0.136   0.135  -8.096
   30   HG21  THR   5          HG21      THR   5  -0.196  -1.324  -4.431
   31   HG22  THR   5          HG22      THR   5   0.604  -2.087  -5.802
   32   HG23  THR   5          HG23      THR   5  -1.156  -2.122  -5.676
   33    H    GLY   6           HN       GLY   6  -0.728   2.589  -4.682
   34    HA2  GLY   6           HA2      GLY   6  -0.489   4.796  -5.468
   35    HA3  GLY   6           HA1      GLY   6  -1.548   4.404  -6.821
   36    H    SER   7           HN       SER   7  -3.198   2.986  -4.498
   37    HA   SER   7           HA       SER   7  -4.866   5.308  -3.989
   38    HB2  SER   7           HB2      SER   7  -5.284   2.381  -3.359
   39    HB3  SER   7           HB1      SER   7  -6.500   3.644  -3.211
   40    HG   SER   7           HG       SER   7  -5.208   3.296  -5.669
   41    H    PHE   8           HN       PHE   8  -5.654   5.682  -1.794
   42    HA   PHE   8           HA       PHE   8  -3.533   5.831   0.093
   43    HB2  PHE   8           HB2      PHE   8  -5.282   7.554  -0.076
   44    HB3  PHE   8           HB1      PHE   8  -6.491   6.382   0.424
   45    HD1  PHE   8           HD1      PHE   8  -6.751   5.792   2.732
   46    HD2  PHE   8           HD2      PHE   8  -3.649   8.426   1.525
   47    HE1  PHE   8           HE1      PHE   8  -6.391   6.434   5.079
   48    HE2  PHE   8           HE2      PHE   8  -3.281   9.069   3.872
   49    HZ   PHE   8           HZ       PHE   8  -4.649   8.077   5.647
   50    H    CYS   9           HN       CYS   9  -3.026   4.553   1.723
   51    HA   CYS   9           HA       CYS   9  -4.869   2.373   2.426
   52    HB2  CYS   9           HB2      CYS   9  -2.863   0.923   2.672
   53    HB3  CYS   9           HB1      CYS   9  -3.261   1.386   1.021
   54    H    THR  10           HN       THR  10  -5.136   1.973   4.522
   55    HA   THR  10           HA       THR  10  -3.053   2.860   6.353
   56    HB   THR  10           HB       THR  10  -4.987   2.711   8.110
   57    HG1  THR  10           HG1      THR  10  -6.447   1.868   6.348
   58   HG21  THR  10          HG21      THR  10  -4.890   4.964   6.094
   59   HG22  THR  10          HG22      THR  10  -3.855   4.798   7.512
   60   HG23  THR  10          HG23      THR  10  -5.585   5.067   7.712
   61    H    LEU  11           HN       LEU  11  -4.313   0.296   4.834
   62    HA   LEU  11           HA       LEU  11  -3.393  -1.598   6.873
   63    HB2  LEU  11           HB2      LEU  11  -5.686  -1.924   4.921
   64    HB3  LEU  11           HB1      LEU  11  -5.065  -3.206   5.930
   65    HG   LEU  11           HG       LEU  11  -6.437  -0.702   6.920
   66   HD11  LEU  11          HD11      LEU  11  -8.255  -2.214   7.527
   67   HD12  LEU  11          HD12      LEU  11  -7.388  -3.557   6.782
   68   HD13  LEU  11          HD13      LEU  11  -7.963  -2.217   5.788
   69   HD21  LEU  11          HD21      LEU  11  -6.427  -1.827   9.103
   70   HD22  LEU  11          HD22      LEU  11  -4.795  -1.509   8.528
   71   HD23  LEU  11          HD23      LEU  11  -5.463  -3.138   8.421
   72    H    SER  12           HN       SER  12  -1.490  -2.382   6.102
   73    HA   SER  12           HA       SER  12  -0.676  -2.109   3.448
   74    HB2  SER  12           HB2      SER  12   1.194  -3.635   4.338
   75    HB3  SER  12           HB1      SER  12   0.990  -2.033   5.057
   76    HG   SER  12           HG       SER  12   1.147  -3.415   6.719
   77    H    LYS  13           HN       LYS  13  -2.024  -4.798   5.221
   78    HA   LYS  13           HA       LYS  13  -1.587  -6.644   3.059
   79    HB2  LYS  13           HB2      LYS  13  -3.165  -6.869   5.621
   80    HB3  LYS  13           HB1      LYS  13  -3.089  -8.156   4.426
   81    HG2  LYS  13           HG2      LYS  13  -1.479  -8.683   6.053
   82    HG3  LYS  13           HG1      LYS  13  -0.675  -8.047   4.592
   83    HD2  LYS  13           HD2      LYS  13  -0.367  -5.895   5.665
   84    HD3  LYS  13           HD1      LYS  13  -1.171  -6.477   7.115
   85    HE2  LYS  13           HE2      LYS  13   1.368  -7.653   5.989
   86    HE3  LYS  13           HE1      LYS  13   1.321  -6.452   7.273
   87    HZ1  LYS  13           HZ1      LYS  13   0.142  -9.182   7.409
   88    HZ2  LYS  13           HZ2      LYS  13   0.060  -8.005   8.617
   89    HZ3  LYS  13           HZ3      LYS  13   1.543  -8.654   8.191
   90    H    GLY  14           HN       GLY  14  -3.631  -4.367   3.813
   91    HA2  GLY  14           HA2      GLY  14  -6.007  -5.207   2.390
   92    HA3  GLY  14           HA1      GLY  14  -5.648  -3.539   2.852
   93    H    CYS  15           HN       CYS  15  -3.079  -3.493   1.635
   94    HA   CYS  15           HA       CYS  15  -3.667  -2.668  -1.007
   95    HB2  CYS  15           HB2      CYS  15  -1.045  -3.380   0.278
   96    HB3  CYS  15           HB1      CYS  15  -1.214  -2.573  -1.274
   97    H    CYS  16           HN       CYS  16  -3.405  -3.667  -2.913
   98    HA   CYS  16           HA       CYS  16  -3.593  -6.413  -3.121
   99    HB2  CYS  16           HB2      CYS  16  -2.540  -4.477  -5.182
  100    HB3  CYS  16           HB1      CYS  16  -3.120  -6.110  -5.497
  101    H    THR  17           HN       THR  17  -0.653  -4.351  -3.317
  102    HA   THR  17           HA       THR  17   1.064  -6.563  -3.865
  103    HB   THR  17           HB       THR  17   2.746  -4.704  -3.491
  104    HG1  THR  17           HG1      THR  17   1.968  -2.738  -3.106
  105   HG21  THR  17          HG21      THR  17   0.541  -4.428  -5.538
  106   HG22  THR  17          HG22      THR  17   2.035  -5.356  -5.736
  107   HG23  THR  17          HG23      THR  17   2.082  -3.593  -5.622
  108    H    LYS  18           HN       LYS  18  -0.474  -5.684  -1.098
  109    HA   LYS  18           HA       LYS  18  -0.241  -5.928   1.122
  110    HB2  LYS  18           HB2      LYS  18   2.211  -7.633   0.604
  111    HB3  LYS  18           HB1      LYS  18   1.145  -7.695   1.995
  112    HG2  LYS  18           HG2      LYS  18   0.520  -8.556  -0.815
  113    HG3  LYS  18           HG1      LYS  18   0.754  -9.610   0.580
  114    HD2  LYS  18           HD2      LYS  18  -1.276  -8.674   1.591
  115    HD3  LYS  18           HD1      LYS  18  -1.475  -7.608   0.198
  116    HE2  LYS  18           HE2      LYS  18  -1.534 -10.626   0.166
  117    HE3  LYS  18           HE1      LYS  18  -2.925  -9.559  -0.002
  118    HZ1  LYS  18           HZ1      LYS  18  -2.273 -10.326  -2.158
  119    HZ2  LYS  18           HZ2      LYS  18  -0.677  -9.899  -1.927
  120    HZ3  LYS  18           HZ3      LYS  18  -1.835  -8.704  -2.097
  121    H    ASN  19           HN       ASN  19   1.451  -3.946  -0.444
  122    HA   ASN  19           HA       ASN  19   3.274  -3.190   1.737
  123    HB2  ASN  19           HB2      ASN  19   4.615  -3.988  -0.130
  124    HB3  ASN  19           HB1      ASN  19   3.737  -2.951  -1.246
  125   HD21  ASN  19          HD21      ASN  19   5.703  -1.959  -1.910
  126   HD22  ASN  19          HD22      ASN  19   6.496  -0.829  -0.886
  127    H    CYS  20           HN       CYS  20   2.367  -1.530   2.705
  128    HA   CYS  20           HA       CYS  20   1.073   0.542   1.100
  129    HB2  CYS  20           HB2      CYS  20  -0.265  -0.338   2.947
  130    HB3  CYS  20           HB1      CYS  20   1.028   0.019   4.097
  131    H    GLY  21           HN       GLY  21   2.184   2.382   0.758
  132    HA2  GLY  21           HA2      GLY  21   4.878   2.427   1.748
  133    HA3  GLY  21           HA1      GLY  21   4.182   3.506   0.554
  134    H    TRP  22           HN       TRP  22   5.864   4.350   2.498
  135    HA   TRP  22           HA       TRP  22   4.855   5.427   4.816
  136    HB2  TRP  22           HB2      TRP  22   6.682   7.063   4.535
  137    HB3  TRP  22           HB1      TRP  22   7.275   5.445   4.445
  138    HD1  TRP  22           HD1      TRP  22   7.623   4.610   1.642
  139    HE1  TRP  22           HE1      TRP  22   8.567   6.066  -0.257
  140    HE3  TRP  22           HE3      TRP  22   6.992   9.004   3.792
  141    HZ2  TRP  22           HZ2      TRP  22   9.012   8.834  -0.748
  142    HZ3  TRP  22           HZ3      TRP  22   7.694  11.137   2.598
  143    HH2  TRP  22           HH2      TRP  22   8.688  11.003   0.369
  144    H    ASN  23           HN       ASN  23   4.373   6.401   1.552
  145    HA   ASN  23           HA       ASN  23   3.605   9.116   2.138
  146    HB2  ASN  23           HB2      ASN  23   3.105   9.290  -0.237
  147    HB3  ASN  23           HB1      ASN  23   4.672   8.526  -0.020
  148   HD21  ASN  23          HD21      ASN  23   2.784   8.459  -2.250
  149   HD22  ASN  23          HD22      ASN  23   2.468   6.794  -2.561
  150    H    PHE  24           HN       PHE  24   2.198   6.233   2.676
  151    HA   PHE  24           HA       PHE  24   0.219   5.572   3.378
  152    HB2  PHE  24           HB2      PHE  24  -0.635   8.415   2.859
  153    HB3  PHE  24           HB1      PHE  24  -1.776   7.183   3.376
  154    HD1  PHE  24           HD1      PHE  24   1.099   9.231   4.360
  155    HD2  PHE  24           HD2      PHE  24  -1.733   6.315   5.606
  156    HE1  PHE  24           HE1      PHE  24   1.707   9.643   6.710
  157    HE2  PHE  24           HE2      PHE  24  -1.134   6.724   7.950
  158    HZ   PHE  24           HZ       PHE  24   0.590   8.393   8.506
  159    H    LYS  25           HN       LYS  25   1.152   5.563   0.532
  160    HA   LYS  25           HA       LYS  25  -1.411   4.584  -0.437
  161    HB2  LYS  25           HB2      LYS  25   0.639   6.020  -2.129
  162    HB3  LYS  25           HB1      LYS  25  -0.713   5.118  -2.799
  163    HG2  LYS  25           HG2      LYS  25  -1.507   7.274  -2.865
  164    HG3  LYS  25           HG1      LYS  25  -2.131   6.727  -1.321
  165    HD2  LYS  25           HD2      LYS  25  -0.162   7.718  -0.204
  166    HD3  LYS  25           HD1      LYS  25   0.349   8.374  -1.756
  167    HE2  LYS  25           HE2      LYS  25  -1.748   9.641  -1.884
  168    HE3  LYS  25           HE1      LYS  25  -2.215   8.990  -0.309
  169    HZ1  LYS  25           HZ1      LYS  25  -0.195  10.017   0.616
  170    HZ2  LYS  25           HZ2      LYS  25  -1.271  11.143   0.003
  171    HZ3  LYS  25           HZ3      LYS  25   0.108  10.752  -0.873
  172    H    CYS  26           HN       CYS  26  -1.370   2.740  -1.639
  173    HA   CYS  26           HA       CYS  26   0.536   0.848  -0.801
  174    HB2  CYS  26           HB2      CYS  26  -1.532   0.735  -2.953
  175    HB3  CYS  26           HB1      CYS  26  -0.689  -0.698  -2.342
  176    H    ASN  27           HN       ASN  27   2.310   0.030  -1.716
  177    HA   ASN  27           HA       ASN  27   3.173   1.138  -4.294
  178    HB2  ASN  27           HB2      ASN  27   4.671   0.899  -1.703
  179    HB3  ASN  27           HB1      ASN  27   5.558   0.769  -3.212
  180   HD21  ASN  27          HD21      ASN  27   3.767   2.902  -1.128
  181   HD22  ASN  27          HD22      ASN  27   4.245   4.363  -1.900
  182    HA   HYP  28           HA       HYP  28   3.942  -3.060  -5.541
  183    HB2  HYP  28           HB1      HYP  28   5.125  -2.911  -7.518
  184    HB3  HYP  28           HB2      HYP  28   6.511  -2.148  -6.729
  185    HG   HYP  28           HG       HYP  28   5.493  -0.381  -7.983
  186   HD22  HYP  28          HD11      HYP  28   4.176   0.762  -5.991
  187   HD23  HYP  28          HD12      HYP  28   5.875   0.321  -5.694
  188    HD1  HYP  28           HD2      HYP  28   3.186  -0.055  -7.507
  189    HA   HYP  29           HA       HYP  29   6.742  -4.972  -2.729
  190    HB2  HYP  29           HB1      HYP  29   6.194  -7.142  -3.118
  191    HB3  HYP  29           HB2      HYP  29   7.372  -7.201  -4.434
  192    HG   HYP  29           HG       HYP  29   5.418  -7.486  -5.693
  193   HD22  HYP  29          HD11      HYP  29   4.579  -4.998  -6.124
  194   HD23  HYP  29          HD12      HYP  29   6.289  -5.362  -6.484
  195    HD1  HYP  29           HD2      HYP  29   4.204  -5.777  -3.900
  196    H    ASN  30           HN       ASN  30   8.548  -3.686  -2.663
  197    HA   ASN  30           HA       ASN  30  10.644  -4.217  -4.645
  198    HB2  ASN  30           HB2      ASN  30  11.596  -2.025  -4.131
  199    HB3  ASN  30           HB1      ASN  30   9.913  -1.852  -4.595
  200   HD21  ASN  30          HD21      ASN  30  11.600  -0.042  -3.102
  201   HD22  ASN  30          HD22      ASN  30  10.840   0.201  -1.575
  202    H    GLN  31           HN       GLN  31   9.719  -4.853  -1.526
  203    HA   GLN  31           HA       GLN  31  12.448  -5.167  -0.599
  204    HB2  GLN  31           HB2      GLN  31   9.834  -5.454   0.898
  205    HB3  GLN  31           HB1      GLN  31  11.429  -5.625   1.608
  206    HG2  GLN  31           HG2      GLN  31  10.246  -3.121   0.422
  207    HG3  GLN  31           HG1      GLN  31  10.517  -3.454   2.129
  208   HE21  GLN  31          HE21      GLN  31  13.151  -4.692   1.580
  209   HE22  GLN  31          HE22      GLN  31  14.206  -3.367   1.222
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1 -12.446  -6.340  -5.193
    2    H2   GLY   1           HT2      GLY   1 -11.080  -5.335  -5.150
    3    H3   GLY   1           HT3      GLY   1 -12.263  -5.181  -3.977
    4    HA2  GLY   1           HA1      GLY   1 -11.764  -7.342  -3.108
    5    HA3  GLY   1           HA2      GLY   1 -10.511  -7.509  -4.335
    6    H    CYS   2           HN       CYS   2  -8.642  -6.270  -4.174
    7    HA   CYS   2           HA       CYS   2  -8.052  -5.409  -1.447
    8    HB2  CYS   2           HB2      CYS   2  -5.683  -5.548  -2.347
    9    HB3  CYS   2           HB1      CYS   2  -6.573  -7.068  -2.260
   10    H    ILE   3           HN       ILE   3  -6.451  -3.475  -1.331
   11    HA   ILE   3           HA       ILE   3  -7.628  -1.311  -2.809
   12    HB   ILE   3           HB       ILE   3  -5.220  -1.218  -0.940
   13   HG12  ILE   3          HG12      ILE   3  -8.132  -0.646  -0.343
   14   HG13  ILE   3          HG11      ILE   3  -7.264  -2.086   0.179
   15   HG21  ILE   3          HG21      ILE   3  -5.757   1.178  -0.762
   16   HG22  ILE   3          HG22      ILE   3  -7.058   0.969  -1.935
   17   HG23  ILE   3          HG23      ILE   3  -5.381   0.712  -2.422
   18   HD11  ILE   3          HD11      ILE   3  -5.784  -0.695   1.543
   19   HD12  ILE   3          HD12      ILE   3  -7.475  -0.458   1.984
   20   HD13  ILE   3          HD13      ILE   3  -6.641   0.746   1.003
   21    H    ALA   4           HN       ALA   4  -6.983  -0.584  -4.672
   22    HA   ALA   4           HA       ALA   4  -4.970  -1.818  -6.194
   23    HB1  ALA   4           HB1      ALA   4  -5.462  -0.125  -7.880
   24    HB2  ALA   4           HB2      ALA   4  -6.340   0.827  -6.687
   25    HB3  ALA   4           HB3      ALA   4  -6.957  -0.750  -7.182
   26    H    THR   5           HN       THR   5  -3.050  -0.814  -7.108
   27    HA   THR   5           HA       THR   5  -1.641   0.431  -4.992
   28    HB   THR   5           HB       THR   5   0.311   0.276  -6.330
   29    HG1  THR   5           HG1      THR   5  -1.259  -0.967  -8.379
   30   HG21  THR   5          HG21      THR   5  -0.358  -1.694  -5.158
   31   HG22  THR   5          HG22      THR   5   0.341  -2.170  -6.707
   32   HG23  THR   5          HG23      THR   5  -1.409  -2.181  -6.485
   33    H    GLY   6           HN       GLY   6  -0.644   2.437  -5.004
   34    HA2  GLY   6           HA2      GLY   6  -0.398   4.648  -5.677
   35    HA3  GLY   6           HA1      GLY   6  -1.523   4.351  -7.001
   36    H    SER   7           HN       SER   7  -3.285   2.982  -4.862
   37    HA   SER   7           HA       SER   7  -4.799   5.362  -4.303
   38    HB2  SER   7           HB2      SER   7  -5.405   2.470  -3.665
   39    HB3  SER   7           HB1      SER   7  -6.547   3.817  -3.634
   40    HG   SER   7           HG       SER   7  -5.185   3.521  -6.011
   41    H    PHE   8           HN       PHE   8  -5.735   5.649  -2.103
   42    HA   PHE   8           HA       PHE   8  -3.656   5.844  -0.171
   43    HB2  PHE   8           HB2      PHE   8  -5.430   7.545  -0.383
   44    HB3  PHE   8           HB1      PHE   8  -6.631   6.357   0.088
   45    HD1  PHE   8           HD1      PHE   8  -3.646   8.183   1.309
   46    HD2  PHE   8           HD2      PHE   8  -7.147   6.012   2.367
   47    HE1  PHE   8           HE1      PHE   8  -3.336   8.835   3.651
   48    HE2  PHE   8           HE2      PHE   8  -6.828   6.662   4.725
   49    HZ   PHE   8           HZ       PHE   8  -4.927   8.074   5.364
   50    H    CYS   9           HN       CYS   9  -3.188   4.586   1.498
   51    HA   CYS   9           HA       CYS   9  -5.098   2.553   2.382
   52    HB2  CYS   9           HB2      CYS   9  -3.233   0.927   2.532
   53    HB3  CYS   9           HB1      CYS   9  -3.633   1.380   0.877
   54    H    THR  10           HN       THR  10  -4.823   1.955   4.534
   55    HA   THR  10           HA       THR  10  -2.938   3.612   6.010
   56    HB   THR  10           HB       THR  10  -4.465   2.946   7.994
   57    HG1  THR  10           HG1      THR  10  -6.327   2.051   7.529
   58   HG21  THR  10          HG21      THR  10  -5.439   4.809   5.816
   59   HG22  THR  10          HG22      THR  10  -4.318   5.223   7.111
   60   HG23  THR  10          HG23      THR  10  -5.995   4.825   7.489
   61    H    LEU  11           HN       LEU  11  -4.070   0.310   5.540
   62    HA   LEU  11           HA       LEU  11  -1.781  -0.593   7.124
   63    HB2  LEU  11           HB2      LEU  11  -4.484  -1.912   6.856
   64    HB3  LEU  11           HB1      LEU  11  -3.112  -2.600   7.697
   65    HG   LEU  11           HG       LEU  11  -4.574  -0.079   8.501
   66   HD11  LEU  11          HD11      LEU  11  -5.896  -2.097   8.864
   67   HD12  LEU  11          HD12      LEU  11  -5.379  -1.371  10.384
   68   HD13  LEU  11          HD13      LEU  11  -4.560  -2.808   9.774
   69   HD21  LEU  11          HD21      LEU  11  -3.231  -0.217  10.552
   70   HD22  LEU  11          HD22      LEU  11  -2.224   0.022   9.127
   71   HD23  LEU  11          HD23      LEU  11  -2.336  -1.574   9.871
   72    H    SER  12           HN       SER  12  -0.484  -2.080   6.208
   73    HA   SER  12           HA       SER  12  -0.268  -2.082   3.476
   74    HB2  SER  12           HB2      SER  12   1.508  -3.843   3.995
   75    HB3  SER  12           HB1      SER  12   1.683  -2.235   4.702
   76    HG   SER  12           HG       SER  12   1.995  -4.094   6.101
   77    H    LYS  13           HN       LYS  13  -1.602  -4.633   5.516
   78    HA   LYS  13           HA       LYS  13  -1.564  -6.600   3.509
   79    HB2  LYS  13           HB2      LYS  13  -2.791  -8.011   4.927
   80    HB3  LYS  13           HB1      LYS  13  -1.819  -7.023   5.990
   81    HG2  LYS  13           HG2      LYS  13  -4.762  -6.651   5.432
   82    HG3  LYS  13           HG1      LYS  13  -4.073  -7.417   6.857
   83    HD2  LYS  13           HD2      LYS  13  -2.984  -5.249   7.411
   84    HD3  LYS  13           HD1      LYS  13  -3.803  -4.533   6.023
   85    HE2  LYS  13           HE2      LYS  13  -5.156  -5.826   8.388
   86    HE3  LYS  13           HE1      LYS  13  -4.998  -4.093   8.116
   87    HZ1  LYS  13           HZ1      LYS  13  -7.169  -4.882   7.455
   88    HZ2  LYS  13           HZ2      LYS  13  -6.519  -5.990   6.390
   89    HZ3  LYS  13           HZ3      LYS  13  -6.355  -4.354   6.091
   90    H    GLY  14           HN       GLY  14  -3.572  -3.911   3.758
   91    HA2  GLY  14           HA2      GLY  14  -5.895  -5.085   2.505
   92    HA3  GLY  14           HA1      GLY  14  -5.639  -3.379   2.843
   93    H    CYS  15           HN       CYS  15  -2.960  -3.632   1.507
   94    HA   CYS  15           HA       CYS  15  -3.827  -2.733  -1.057
   95    HB2  CYS  15           HB2      CYS  15  -1.099  -3.309   0.044
   96    HB3  CYS  15           HB1      CYS  15  -1.394  -2.555  -1.521
   97    H    CYS  16           HN       CYS  16  -3.477  -3.649  -3.065
   98    HA   CYS  16           HA       CYS  16  -3.620  -6.438  -3.297
   99    HB2  CYS  16           HB2      CYS  16  -2.847  -4.388  -5.367
  100    HB3  CYS  16           HB1      CYS  16  -3.274  -6.062  -5.714
  101    H    THR  17           HN       THR  17  -0.818  -4.246  -3.344
  102    HA   THR  17           HA       THR  17   0.958  -6.364  -4.053
  103    HB   THR  17           HB       THR  17   2.604  -4.494  -3.484
  104    HG1  THR  17           HG1      THR  17   1.757  -2.512  -3.186
  105   HG21  THR  17          HG21      THR  17   2.061  -5.077  -5.771
  106   HG22  THR  17          HG22      THR  17   2.022  -3.306  -5.604
  107   HG23  THR  17          HG23      THR  17   0.524  -4.222  -5.643
  108    H    LYS  18           HN       LYS  18  -0.641  -5.577  -1.260
  109    HA   LYS  18           HA       LYS  18  -0.395  -5.842   0.969
  110    HB2  LYS  18           HB2      LYS  18   1.900  -7.663   0.175
  111    HB3  LYS  18           HB1      LYS  18   1.175  -7.597   1.774
  112    HG2  LYS  18           HG2      LYS  18  -0.247  -8.413  -0.754
  113    HG3  LYS  18           HG1      LYS  18   0.387  -9.519   0.465
  114    HD2  LYS  18           HD2      LYS  18  -1.108  -8.512   2.129
  115    HD3  LYS  18           HD1      LYS  18  -1.741  -7.426   0.898
  116    HE2  LYS  18           HE2      LYS  18  -2.606  -9.282  -0.371
  117    HE3  LYS  18           HE1      LYS  18  -1.885 -10.431   0.756
  118    HZ1  LYS  18           HZ1      LYS  18  -3.979  -8.445   1.477
  119    HZ2  LYS  18           HZ2      LYS  18  -3.331  -9.649   2.472
  120    HZ3  LYS  18           HZ3      LYS  18  -4.253 -10.076   1.139
  121    H    ASN  19           HN       ASN  19   1.300  -3.904  -0.633
  122    HA   ASN  19           HA       ASN  19   3.214  -3.236   1.473
  123    HB2  ASN  19           HB2      ASN  19   4.368  -4.046  -0.544
  124    HB3  ASN  19           HB1      ASN  19   3.526  -2.844  -1.514
  125   HD21  ASN  19          HD21      ASN  19   5.486  -1.907  -2.185
  126   HD22  ASN  19          HD22      ASN  19   6.447  -0.981  -1.099
  127    H    CYS  20           HN       CYS  20   2.658  -1.450   2.430
  128    HA   CYS  20           HA       CYS  20   1.356   0.721   0.949
  129    HB2  CYS  20           HB2      CYS  20  -0.338  -0.454   2.310
  130    HB3  CYS  20           HB1      CYS  20   0.687  -0.292   3.735
  131    H    GLY  21           HN       GLY  21   2.688   2.407   1.036
  132    HA2  GLY  21           HA2      GLY  21   5.010   2.291   2.802
  133    HA3  GLY  21           HA1      GLY  21   4.720   3.410   1.487
  134    H    TRP  22           HN       TRP  22   5.830   4.536   3.490
  135    HA   TRP  22           HA       TRP  22   4.119   5.481   5.518
  136    HB2  TRP  22           HB2      TRP  22   5.957   7.177   5.821
  137    HB3  TRP  22           HB1      TRP  22   6.454   5.499   5.967
  138    HD1  TRP  22           HD1      TRP  22   6.140   7.449   2.624
  139    HE1  TRP  22           HE1      TRP  22   8.464   7.552   1.517
  140    HE3  TRP  22           HE3      TRP  22   8.891   5.295   6.343
  141    HZ2  TRP  22           HZ2      TRP  22  11.117   6.824   2.153
  142    HZ3  TRP  22           HZ3      TRP  22  11.320   5.040   6.017
  143    HH2  TRP  22           HH2      TRP  22  12.399   5.790   3.964
  144    H    ASN  23           HN       ASN  23   4.207   6.076   2.316
  145    HA   ASN  23           HA       ASN  23   3.383   8.845   2.274
  146    HB2  ASN  23           HB2      ASN  23   3.201   8.490  -0.152
  147    HB3  ASN  23           HB1      ASN  23   4.749   7.900   0.435
  148   HD21  ASN  23          HD21      ASN  23   3.434   7.157  -2.006
  149   HD22  ASN  23          HD22      ASN  23   3.138   5.456  -1.907
  150    H    PHE  24           HN       PHE  24   2.026   5.912   2.996
  151    HA   PHE  24           HA       PHE  24   0.001   5.090   3.331
  152    HB2  PHE  24           HB2      PHE  24  -0.738   8.004   3.179
  153    HB3  PHE  24           HB1      PHE  24  -1.956   6.762   3.439
  154    HD1  PHE  24           HD1      PHE  24  -2.060   5.546   5.495
  155    HD2  PHE  24           HD2      PHE  24   0.912   8.505   4.885
  156    HE1  PHE  24           HE1      PHE  24  -1.583   5.552   7.924
  157    HE2  PHE  24           HE2      PHE  24   1.405   8.532   7.301
  158    HZ   PHE  24           HZ       PHE  24   0.153   7.048   8.826
  159    H    LYS  25           HN       LYS  25   1.061   5.001   0.761
  160    HA   LYS  25           HA       LYS  25  -1.434   4.604  -0.697
  161    HB2  LYS  25           HB2      LYS  25   1.165   5.621  -1.788
  162    HB3  LYS  25           HB1      LYS  25  -0.192   5.123  -2.793
  163    HG2  LYS  25           HG2      LYS  25  -1.529   6.940  -1.825
  164    HG3  LYS  25           HG1      LYS  25  -0.142   7.406  -0.832
  165    HD2  LYS  25           HD2      LYS  25   1.163   7.816  -2.831
  166    HD3  LYS  25           HD1      LYS  25  -0.209   7.355  -3.840
  167    HE2  LYS  25           HE2      LYS  25  -1.500   9.228  -2.899
  168    HE3  LYS  25           HE1      LYS  25  -0.105   9.679  -1.921
  169    HZ1  LYS  25           HZ1      LYS  25   1.139  10.073  -3.913
  170    HZ2  LYS  25           HZ2      LYS  25  -0.275  10.992  -3.955
  171    HZ3  LYS  25           HZ3      LYS  25  -0.145   9.577  -4.871
  172    H    CYS  26           HN       CYS  26  -1.450   2.767  -1.951
  173    HA   CYS  26           HA       CYS  26   0.220   0.671  -1.037
  174    HB2  CYS  26           HB2      CYS  26  -1.844   0.854  -3.199
  175    HB3  CYS  26           HB1      CYS  26  -1.075  -0.676  -2.740
  176    H    ASN  27           HN       ASN  27   2.139   0.306  -1.719
  177    HA   ASN  27           HA       ASN  27   3.035   1.481  -4.258
  178    HB2  ASN  27           HB2      ASN  27   4.582   0.776  -1.741
  179    HB3  ASN  27           HB1      ASN  27   5.329   1.344  -3.221
  180   HD21  ASN  27          HD21      ASN  27   5.360   2.478  -0.537
  181   HD22  ASN  27          HD22      ASN  27   4.727   4.074  -0.660
  182    HA   HYP  28           HA       HYP  28   3.856  -2.657  -5.731
  183    HB2  HYP  28           HB1      HYP  28   4.448  -1.676  -7.775
  184    HB3  HYP  28           HB2      HYP  28   6.049  -2.241  -7.276
  185    HG   HYP  28           HG       HYP  28   6.677  -0.160  -6.500
  186   HD22  HYP  28          HD11      HYP  28   3.833   0.847  -6.539
  187   HD23  HYP  28          HD12      HYP  28   5.124   1.245  -5.390
  188    HD1  HYP  28           HD2      HYP  28   6.366   1.135  -7.999
  189    HA   HYP  29           HA       HYP  29   6.799  -4.263  -2.800
  190    HB2  HYP  29           HB1      HYP  29   6.584  -6.520  -3.108
  191    HB3  HYP  29           HB2      HYP  29   7.537  -6.443  -4.595
  192    HG   HYP  29           HG       HYP  29   5.359  -7.006  -5.421
  193   HD22  HYP  29          HD11      HYP  29   4.451  -4.617  -6.032
  194   HD23  HYP  29          HD12      HYP  29   6.150  -4.937  -6.486
  195    HD1  HYP  29           HD2      HYP  29   4.376  -5.065  -3.736
  196    H    ASN  30           HN       ASN  30   8.647  -3.311  -2.543
  197    HA   ASN  30           HA       ASN  30  10.678  -3.401  -4.670
  198    HB2  ASN  30           HB2      ASN  30   9.799  -1.063  -3.017
  199    HB3  ASN  30           HB1      ASN  30  11.486  -1.177  -3.475
  200   HD21  ASN  30          HD21      ASN  30   8.965  -2.324  -5.598
  201   HD22  ASN  30          HD22      ASN  30   9.108  -1.069  -6.766
  202    H    GLN  31           HN       GLN  31  10.208  -2.704  -1.249
  203    HA   GLN  31           HA       GLN  31  12.560  -4.323  -0.674
  204    HB2  GLN  31           HB2      GLN  31  11.718  -1.717   0.597
  205    HB3  GLN  31           HB1      GLN  31  12.955  -2.780   1.255
  206    HG2  GLN  31           HG2      GLN  31  13.071  -1.488  -1.457
  207    HG3  GLN  31           HG1      GLN  31  13.837  -0.847  -0.004
  208   HE21  GLN  31          HE21      GLN  31  13.898  -3.387  -2.385
  209   HE22  GLN  31          HE22      GLN  31  15.480  -3.944  -2.014
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1 -12.423  -8.233  -2.676
    2    H2   GLY   1           HT2      GLY   1 -11.892  -7.376  -1.312
    3    H3   GLY   1           HT3      GLY   1 -10.982  -8.671  -1.897
    4    HA2  GLY   1           HA1      GLY   1 -10.527  -7.466  -3.920
    5    HA3  GLY   1           HA2      GLY   1 -11.457  -6.116  -3.270
    6    H    CYS   2           HN       CYS   2  -8.987  -5.519  -3.944
    7    HA   CYS   2           HA       CYS   2  -7.647  -5.266  -1.373
    8    HB2  CYS   2           HB2      CYS   2  -5.472  -5.502  -2.541
    9    HB3  CYS   2           HB1      CYS   2  -6.426  -6.979  -2.535
   10    H    ILE   3           HN       ILE   3  -6.237  -3.413  -1.318
   11    HA   ILE   3           HA       ILE   3  -7.377  -1.172  -2.685
   12    HB   ILE   3           HB       ILE   3  -4.928  -1.269  -0.890
   13   HG12  ILE   3          HG12      ILE   3  -7.783  -0.551  -0.207
   14   HG13  ILE   3          HG11      ILE   3  -7.009  -2.073   0.217
   15   HG21  ILE   3          HG21      ILE   3  -5.360   1.149  -0.611
   16   HG22  ILE   3          HG22      ILE   3  -6.639   1.033  -1.826
   17   HG23  ILE   3          HG23      ILE   3  -4.969   0.710  -2.274
   18   HD11  ILE   3          HD11      ILE   3  -6.213   0.665   1.183
   19   HD12  ILE   3          HD12      ILE   3  -5.380  -0.839   1.575
   20   HD13  ILE   3          HD13      ILE   3  -7.037  -0.587   2.116
   21    H    ALA   4           HN       ALA   4  -6.829  -0.604  -4.592
   22    HA   ALA   4           HA       ALA   4  -4.772  -1.726  -6.118
   23    HB1  ALA   4           HB1      ALA   4  -6.325   0.821  -6.580
   24    HB2  ALA   4           HB2      ALA   4  -6.804  -0.794  -7.105
   25    HB3  ALA   4           HB3      ALA   4  -5.367  -0.034  -7.787
   26    H    THR   5           HN       THR   5  -2.767  -0.968  -6.691
   27    HA   THR   5           HA       THR   5  -1.518   0.554  -4.741
   28    HB   THR   5           HB       THR   5   0.458   0.350  -6.123
   29    HG1  THR   5           HG1      THR   5  -0.340   0.248  -8.226
   30   HG21  THR   5          HG21      THR   5   0.594  -2.113  -5.983
   31   HG22  THR   5          HG22      THR   5  -1.151  -2.165  -5.717
   32   HG23  THR   5          HG23      THR   5  -0.101  -1.374  -4.543
   33    H    GLY   6           HN       GLY   6  -0.703   2.569  -4.730
   34    HA2  GLY   6           HA2      GLY   6  -0.421   4.744  -5.587
   35    HA3  GLY   6           HA1      GLY   6  -1.552   4.353  -6.882
   36    H    SER   7           HN       SER   7  -3.266   3.044  -4.669
   37    HA   SER   7           HA       SER   7  -4.696   5.479  -4.010
   38    HB2  SER   7           HB2      SER   7  -5.493   2.579  -3.618
   39    HB3  SER   7           HB1      SER   7  -6.544   3.982  -3.411
   40    HG   SER   7           HG       SER   7  -5.385   2.980  -5.798
   41    H    PHE   8           HN       PHE   8  -5.526   5.784  -1.825
   42    HA   PHE   8           HA       PHE   8  -3.523   5.702   0.142
   43    HB2  PHE   8           HB2      PHE   8  -5.139   7.482   0.080
   44    HB3  PHE   8           HB1      PHE   8  -6.470   6.353   0.234
   45    HD1  PHE   8           HD1      PHE   8  -3.449   7.519   2.086
   46    HD2  PHE   8           HD2      PHE   8  -7.439   6.068   2.301
   47    HE1  PHE   8           HE1      PHE   8  -3.457   7.896   4.512
   48    HE2  PHE   8           HE2      PHE   8  -7.449   6.431   4.725
   49    HZ   PHE   8           HZ       PHE   8  -5.452   7.349   5.836
   50    H    CYS   9           HN       CYS   9  -3.163   4.412   1.849
   51    HA   CYS   9           HA       CYS   9  -5.035   2.238   2.427
   52    HB2  CYS   9           HB2      CYS   9  -2.983   0.788   2.763
   53    HB3  CYS   9           HB1      CYS   9  -3.407   1.163   1.097
   54    H    THR  10           HN       THR  10  -5.296   1.836   4.564
   55    HA   THR  10           HA       THR  10  -3.506   3.212   6.404
   56    HB   THR  10           HB       THR  10  -5.337   2.628   8.101
   57    HG1  THR  10           HG1      THR  10  -7.301   2.097   7.345
   58   HG21  THR  10          HG21      THR  10  -5.006   4.893   7.254
   59   HG22  THR  10          HG22      THR  10  -6.725   4.550   7.452
   60   HG23  THR  10          HG23      THR  10  -5.998   4.522   5.845
   61    H    LEU  11           HN       LEU  11  -4.398   0.188   5.147
   62    HA   LEU  11           HA       LEU  11  -2.838  -1.200   7.199
   63    HB2  LEU  11           HB2      LEU  11  -5.228  -2.255   5.687
   64    HB3  LEU  11           HB1      LEU  11  -4.284  -3.137   6.864
   65    HG   LEU  11           HG       LEU  11  -6.031  -0.744   7.442
   66   HD11  LEU  11          HD11      LEU  11  -7.316  -2.720   6.908
   67   HD12  LEU  11          HD12      LEU  11  -7.426  -2.358   8.631
   68   HD13  LEU  11          HD13      LEU  11  -6.382  -3.662   8.066
   69   HD21  LEU  11          HD21      LEU  11  -4.423  -2.510   9.276
   70   HD22  LEU  11          HD22      LEU  11  -5.599  -1.302   9.795
   71   HD23  LEU  11          HD23      LEU  11  -4.137  -0.800   8.947
   72    H    SER  12           HN       SER  12  -1.153  -2.286   6.357
   73    HA   SER  12           HA       SER  12  -0.418  -2.110   3.672
   74    HB2  SER  12           HB2      SER  12   1.305  -3.822   4.460
   75    HB3  SER  12           HB1      SER  12   1.261  -2.281   5.325
   76    HG   SER  12           HG       SER  12   1.182  -4.538   6.429
   77    H    LYS  13           HN       LYS  13  -1.909  -4.539   5.569
   78    HA   LYS  13           HA       LYS  13  -1.931  -6.863   4.058
   79    HB2  LYS  13           HB2      LYS  13  -4.299  -5.761   5.533
   80    HB3  LYS  13           HB1      LYS  13  -3.924  -7.442   5.227
   81    HG2  LYS  13           HG2      LYS  13  -2.222  -7.466   6.840
   82    HG3  LYS  13           HG1      LYS  13  -2.164  -5.698   6.930
   83    HD2  LYS  13           HD2      LYS  13  -4.444  -5.679   7.678
   84    HD3  LYS  13           HD1      LYS  13  -4.481  -7.439   7.724
   85    HE2  LYS  13           HE2      LYS  13  -2.653  -5.664   9.372
   86    HE3  LYS  13           HE1      LYS  13  -4.091  -6.474   9.974
   87    HZ1  LYS  13           HZ1      LYS  13  -3.007  -8.610   9.497
   88    HZ2  LYS  13           HZ2      LYS  13  -2.138  -7.663  10.577
   89    HZ3  LYS  13           HZ3      LYS  13  -1.608  -7.791   9.001
   90    H    GLY  14           HN       GLY  14  -4.034  -4.061   3.958
   91    HA2  GLY  14           HA2      GLY  14  -6.007  -5.042   2.214
   92    HA3  GLY  14           HA1      GLY  14  -5.708  -3.349   2.560
   93    H    CYS  15           HN       CYS  15  -2.970  -3.489   1.491
   94    HA   CYS  15           HA       CYS  15  -3.536  -2.661  -1.144
   95    HB2  CYS  15           HB2      CYS  15  -0.911  -3.491   0.075
   96    HB3  CYS  15           HB1      CYS  15  -1.098  -2.635  -1.449
   97    H    CYS  16           HN       CYS  16  -3.280  -3.617  -3.126
   98    HA   CYS  16           HA       CYS  16  -3.551  -6.393  -3.350
   99    HB2  CYS  16           HB2      CYS  16  -2.577  -4.457  -5.463
  100    HB3  CYS  16           HB1      CYS  16  -3.195  -6.077  -5.760
  101    H    THR  17           HN       THR  17  -0.622  -4.357  -3.402
  102    HA   THR  17           HA       THR  17   1.124  -6.595  -3.887
  103    HB   THR  17           HB       THR  17   2.819  -4.771  -3.376
  104    HG1  THR  17           HG1      THR  17   1.873  -2.634  -3.461
  105   HG21  THR  17          HG21      THR  17   2.420  -3.619  -5.507
  106   HG22  THR  17          HG22      THR  17   0.790  -4.297  -5.564
  107   HG23  THR  17          HG23      THR  17   2.197  -5.360  -5.673
  108    H    LYS  18           HN       LYS  18  -0.657  -5.619  -1.290
  109    HA   LYS  18           HA       LYS  18  -0.525  -5.382   0.908
  110    HB2  LYS  18           HB2      LYS  18   1.156  -7.841   0.467
  111    HB3  LYS  18           HB1      LYS  18   0.648  -7.312   2.071
  112    HG2  LYS  18           HG2      LYS  18  -1.692  -7.427   1.373
  113    HG3  LYS  18           HG1      LYS  18  -1.185  -7.973  -0.222
  114    HD2  LYS  18           HD2      LYS  18  -0.225  -9.961   0.747
  115    HD3  LYS  18           HD1      LYS  18  -0.633  -9.388   2.364
  116    HE2  LYS  18           HE2      LYS  18  -2.651  -9.938   0.183
  117    HE3  LYS  18           HE1      LYS  18  -2.268 -11.074   1.467
  118    HZ1  LYS  18           HZ1      LYS  18  -3.040  -9.425   3.079
  119    HZ2  LYS  18           HZ2      LYS  18  -4.260  -9.820   2.014
  120    HZ3  LYS  18           HZ3      LYS  18  -3.461  -8.353   1.851
  121    H    ASN  19           HN       ASN  19   1.297  -3.825  -0.542
  122    HA   ASN  19           HA       ASN  19   3.332  -3.284   1.485
  123    HB2  ASN  19           HB2      ASN  19   4.355  -4.213  -0.524
  124    HB3  ASN  19           HB1      ASN  19   3.507  -3.049  -1.527
  125   HD21  ASN  19          HD21      ASN  19   5.389  -2.299  -2.405
  126   HD22  ASN  19          HD22      ASN  19   6.530  -1.361  -1.577
  127    H    CYS  20           HN       CYS  20   2.303  -1.667   2.506
  128    HA   CYS  20           HA       CYS  20   1.167   0.561   0.977
  129    HB2  CYS  20           HB2      CYS  20  -0.274  -0.463   2.673
  130    HB3  CYS  20           HB1      CYS  20   0.952  -0.214   3.917
  131    H    GLY  21           HN       GLY  21   2.323   2.475   0.923
  132    HA2  GLY  21           HA2      GLY  21   4.929   2.259   2.197
  133    HA3  GLY  21           HA1      GLY  21   4.524   3.291   0.842
  134    H    TRP  22           HN       TRP  22   5.978   4.501   2.452
  135    HA   TRP  22           HA       TRP  22   5.067   5.672   4.794
  136    HB2  TRP  22           HB2      TRP  22   6.805   7.259   4.457
  137    HB3  TRP  22           HB1      TRP  22   7.469   5.716   4.024
  138    HD1  TRP  22           HD1      TRP  22   6.927   5.455   0.982
  139    HE1  TRP  22           HE1      TRP  22   7.768   7.198  -0.711
  140    HE3  TRP  22           HE3      TRP  22   7.617   9.272   4.152
  141    HZ2  TRP  22           HZ2      TRP  22   8.638   9.909  -0.676
  142    HZ3  TRP  22           HZ3      TRP  22   8.472  11.463   3.290
  143    HH2  TRP  22           HH2      TRP  22   8.969  11.744   0.912
  144    H    ASN  23           HN       ASN  23   4.237   6.298   1.537
  145    HA   ASN  23           HA       ASN  23   3.335   9.018   1.935
  146    HB2  ASN  23           HB2      ASN  23   2.778   8.935  -0.451
  147    HB3  ASN  23           HB1      ASN  23   4.422   8.376  -0.174
  148   HD21  ASN  23          HD21      ASN  23   2.639   7.883  -2.403
  149   HD22  ASN  23          HD22      ASN  23   2.490   6.167  -2.547
  150    H    PHE  24           HN       PHE  24   2.221   6.155   2.837
  151    HA   PHE  24           HA       PHE  24   0.290   5.321   3.548
  152    HB2  PHE  24           HB2      PHE  24  -0.782   8.108   3.030
  153    HB3  PHE  24           HB1      PHE  24  -1.668   6.836   3.862
  154    HD1  PHE  24           HD1      PHE  24  -0.889   6.044   6.063
  155    HD2  PHE  24           HD2      PHE  24   0.899   9.374   4.122
  156    HE1  PHE  24           HE1      PHE  24   0.110   6.741   8.188
  157    HE2  PHE  24           HE2      PHE  24   1.907  10.080   6.250
  158    HZ   PHE  24           HZ       PHE  24   1.515   8.757   8.291
  159    H    LYS  25           HN       LYS  25   1.072   5.396   0.679
  160    HA   LYS  25           HA       LYS  25  -1.510   4.508  -0.295
  161    HB2  LYS  25           HB2      LYS  25   0.623   5.993  -1.828
  162    HB3  LYS  25           HB1      LYS  25  -0.750   5.191  -2.582
  163    HG2  LYS  25           HG2      LYS  25  -2.267   6.661  -1.330
  164    HG3  LYS  25           HG1      LYS  25  -0.869   7.478  -0.630
  165    HD2  LYS  25           HD2      LYS  25  -0.157   8.199  -2.782
  166    HD3  LYS  25           HD1      LYS  25  -1.444   7.283  -3.576
  167    HE2  LYS  25           HE2      LYS  25  -3.094   8.665  -2.294
  168    HE3  LYS  25           HE1      LYS  25  -1.747   9.651  -1.732
  169    HZ1  LYS  25           HZ1      LYS  25  -1.253  10.211  -4.036
  170    HZ2  LYS  25           HZ2      LYS  25  -2.825  10.652  -3.623
  171    HZ3  LYS  25           HZ3      LYS  25  -2.570   9.303  -4.572
  172    H    CYS  26           HN       CYS  26  -1.394   2.750  -1.724
  173    HA   CYS  26           HA       CYS  26   0.540   0.861  -0.881
  174    HB2  CYS  26           HB2      CYS  26  -1.595   0.796  -2.975
  175    HB3  CYS  26           HB1      CYS  26  -0.682  -0.649  -2.475
  176    H    ASN  27           HN       ASN  27   2.337   0.240  -1.836
  177    HA   ASN  27           HA       ASN  27   3.208   1.796  -4.166
  178    HB2  ASN  27           HB2      ASN  27   4.709   0.499  -1.896
  179    HB3  ASN  27           HB1      ASN  27   5.536   0.998  -3.362
  180   HD21  ASN  27          HD21      ASN  27   5.857   1.917  -0.662
  181   HD22  ASN  27          HD22      ASN  27   5.545   3.617  -0.674
  182    HA   HYP  28           HA       HYP  28   4.013  -1.689  -6.846
  183    HB2  HYP  28           HB1      HYP  28   6.042  -1.379  -7.984
  184    HB3  HYP  28           HB2      HYP  28   6.927  -1.029  -6.494
  185    HG   HYP  28           HG       HYP  28   6.608   1.132  -7.309
  186   HD22  HYP  28          HD11      HYP  28   3.981   1.494  -6.345
  187   HD23  HYP  28          HD12      HYP  28   5.449   1.621  -5.356
  188    HD1  HYP  28           HD2      HYP  28   5.197   1.674  -8.637
  189    HA   HYP  29           HA       HYP  29   5.280  -5.019  -4.342
  190    HB2  HYP  29           HB1      HYP  29   4.903  -6.795  -5.726
  191    HB3  HYP  29           HB2      HYP  29   6.583  -6.713  -6.269
  192    HG   HYP  29           HG       HYP  29   5.585  -6.124  -8.279
  193   HD22  HYP  29          HD11      HYP  29   4.983  -3.516  -8.020
  194   HD23  HYP  29          HD12      HYP  29   6.661  -4.042  -7.759
  195    HD1  HYP  29           HD2      HYP  29   3.540  -4.642  -7.421
  196    H    ASN  30           HN       ASN  30   6.755  -4.551  -2.915
  197    HA   ASN  30           HA       ASN  30   9.597  -4.449  -3.727
  198    HB2  ASN  30           HB2      ASN  30   8.254  -3.119  -1.362
  199    HB3  ASN  30           HB1      ASN  30   9.976  -3.068  -1.699
  200   HD21  ASN  30          HD21      ASN  30   9.624  -2.748  -4.600
  201   HD22  ASN  30          HD22      ASN  30   9.060  -1.139  -4.821
  202    H    GLN  31           HN       GLN  31   7.345  -6.258  -2.132
  203    HA   GLN  31           HA       GLN  31   9.216  -7.423  -0.234
  204    HB2  GLN  31           HB2      GLN  31   6.271  -7.890  -0.728
  205    HB3  GLN  31           HB1      GLN  31   7.222  -8.671   0.521
  206    HG2  GLN  31           HG2      GLN  31   7.529  -6.614   1.687
  207    HG3  GLN  31           HG1      GLN  31   6.857  -5.697   0.344
  208   HE21  GLN  31          HE21      GLN  31   5.346  -4.806   1.702
  209   HE22  GLN  31          HE22      GLN  31   3.950  -5.667   2.221
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1 -13.110  -5.688  -4.889
    2    H2   GLY   1           HT2      GLY   1 -12.090  -4.374  -4.556
    3    H3   GLY   1           HT3      GLY   1 -12.865  -5.168  -3.295
    4    HA2  GLY   1           HA1      GLY   1 -11.593  -7.148  -3.720
    5    HA3  GLY   1           HA2      GLY   1 -10.799  -6.317  -5.056
    6    H    CYS   2           HN       CYS   2  -8.753  -6.084  -4.345
    7    HA   CYS   2           HA       CYS   2  -8.242  -5.225  -1.630
    8    HB2  CYS   2           HB2      CYS   2  -5.827  -5.532  -2.371
    9    HB3  CYS   2           HB1      CYS   2  -6.825  -6.982  -2.363
   10    H    ILE   3           HN       ILE   3  -6.444  -3.448  -1.394
   11    HA   ILE   3           HA       ILE   3  -7.454  -1.172  -2.812
   12    HB   ILE   3           HB       ILE   3  -5.124  -1.292  -0.846
   13   HG12  ILE   3          HG12      ILE   3  -8.016  -0.548  -0.353
   14   HG13  ILE   3          HG11      ILE   3  -7.278  -2.068   0.139
   15   HG21  ILE   3          HG21      ILE   3  -5.096   0.694  -2.258
   16   HG22  ILE   3          HG22      ILE   3  -5.536   1.127  -0.606
   17   HG23  ILE   3          HG23      ILE   3  -6.778   1.029  -1.854
   18   HD11  ILE   3          HD11      ILE   3  -7.451  -0.518   2.008
   19   HD12  ILE   3          HD12      ILE   3  -6.502   0.676   1.120
   20   HD13  ILE   3          HD13      ILE   3  -5.761  -0.844   1.621
   21    H    ALA   4           HN       ALA   4  -6.779  -0.570  -4.659
   22    HA   ALA   4           HA       ALA   4  -4.698  -1.820  -6.090
   23    HB1  ALA   4           HB1      ALA   4  -6.629  -0.882  -7.212
   24    HB2  ALA   4           HB2      ALA   4  -5.157  -0.118  -7.815
   25    HB3  ALA   4           HB3      ALA   4  -6.188   0.730  -6.663
   26    H    THR   5           HN       THR   5  -2.743  -0.944  -6.850
   27    HA   THR   5           HA       THR   5  -1.458   0.541  -4.833
   28    HB   THR   5           HB       THR   5   0.523   0.354  -6.135
   29    HG1  THR   5           HG1      THR   5  -1.277  -0.078  -8.164
   30   HG21  THR   5          HG21      THR   5   0.641  -2.105  -6.178
   31   HG22  THR   5          HG22      THR   5  -1.109  -2.152  -5.945
   32   HG23  THR   5          HG23      THR   5  -0.070  -1.446  -4.707
   33    H    GLY   6           HN       GLY   6  -0.755   2.558  -4.805
   34    HA2  GLY   6           HA2      GLY   6  -0.518   4.737  -5.700
   35    HA3  GLY   6           HA1      GLY   6  -1.655   4.299  -6.981
   36    H    SER   7           HN       SER   7  -3.278   2.970  -4.677
   37    HA   SER   7           HA       SER   7  -4.803   5.361  -4.093
   38    HB2  SER   7           HB2      SER   7  -5.407   2.448  -3.548
   39    HB3  SER   7           HB1      SER   7  -6.533   3.791  -3.346
   40    HG   SER   7           HG       SER   7  -5.260   3.366  -5.811
   41    H    PHE   8           HN       PHE   8  -5.634   5.653  -1.904
   42    HA   PHE   8           HA       PHE   8  -3.559   5.825   0.000
   43    HB2  PHE   8           HB2      PHE   8  -5.364   7.485  -0.228
   44    HB3  PHE   8           HB1      PHE   8  -6.534   6.278   0.259
   45    HD1  PHE   8           HD1      PHE   8  -3.840   8.482   1.395
   46    HD2  PHE   8           HD2      PHE   8  -6.814   5.689   2.588
   47    HE1  PHE   8           HE1      PHE   8  -3.582   9.201   3.723
   48    HE2  PHE   8           HE2      PHE   8  -6.550   6.405   4.924
   49    HZ   PHE   8           HZ       PHE   8  -4.939   8.158   5.493
   50    H    CYS   9           HN       CYS   9  -3.060   4.560   1.653
   51    HA   CYS   9           HA       CYS   9  -4.906   2.451   2.501
   52    HB2  CYS   9           HB2      CYS   9  -2.998   0.886   2.637
   53    HB3  CYS   9           HB1      CYS   9  -3.376   1.374   0.988
   54    H    THR  10           HN       THR  10  -4.709   1.865   4.641
   55    HA   THR  10           HA       THR  10  -2.791   3.379   6.220
   56    HB   THR  10           HB       THR  10  -4.357   2.847   8.149
   57    HG1  THR  10           HG1      THR  10  -6.403   2.182   7.669
   58   HG21  THR  10          HG21      THR  10  -4.310   5.071   7.108
   59   HG22  THR  10          HG22      THR  10  -5.947   4.638   7.595
   60   HG23  THR  10          HG23      THR  10  -5.474   4.532   5.899
   61    H    LEU  11           HN       LEU  11  -4.134   0.236   5.450
   62    HA   LEU  11           HA       LEU  11  -2.177  -1.022   7.225
   63    HB2  LEU  11           HB2      LEU  11  -4.838  -2.077   6.277
   64    HB3  LEU  11           HB1      LEU  11  -3.722  -2.928   7.325
   65    HG   LEU  11           HG       LEU  11  -5.206  -0.387   8.022
   66   HD11  LEU  11          HD11      LEU  11  -5.593  -3.215   8.978
   67   HD12  LEU  11          HD12      LEU  11  -6.680  -2.305   7.927
   68   HD13  LEU  11          HD13      LEU  11  -6.433  -1.793   9.595
   69   HD21  LEU  11          HD21      LEU  11  -3.387  -2.112   9.706
   70   HD22  LEU  11          HD22      LEU  11  -4.344  -0.752  10.293
   71   HD23  LEU  11          HD23      LEU  11  -3.039  -0.476   9.141
   72    H    SER  12           HN       SER  12  -0.787  -2.413   6.338
   73    HA   SER  12           HA       SER  12  -0.202  -2.332   3.645
   74    HB2  SER  12           HB2      SER  12   1.344  -4.274   4.383
   75    HB3  SER  12           HB1      SER  12   1.556  -2.666   5.085
   76    HG   SER  12           HG       SER  12   0.901  -4.985   6.288
   77    H    LYS  13           HN       LYS  13  -1.733  -4.962   5.479
   78    HA   LYS  13           HA       LYS  13  -1.819  -6.671   3.270
   79    HB2  LYS  13           HB2      LYS  13  -3.256  -8.165   4.542
   80    HB3  LYS  13           HB1      LYS  13  -1.871  -7.666   5.474
   81    HG2  LYS  13           HG2      LYS  13  -4.638  -6.503   5.809
   82    HG3  LYS  13           HG1      LYS  13  -4.041  -7.878   6.724
   83    HD2  LYS  13           HD2      LYS  13  -2.183  -6.406   7.570
   84    HD3  LYS  13           HD1      LYS  13  -2.978  -5.057   6.751
   85    HE2  LYS  13           HE2      LYS  13  -4.958  -5.341   8.100
   86    HE3  LYS  13           HE1      LYS  13  -4.248  -6.752   8.881
   87    HZ1  LYS  13           HZ1      LYS  13  -4.036  -4.701  10.222
   88    HZ2  LYS  13           HZ2      LYS  13  -3.053  -4.034   9.015
   89    HZ3  LYS  13           HZ3      LYS  13  -2.563  -5.390   9.831
   90    H    GLY  14           HN       GLY  14  -3.650  -3.967   3.733
   91    HA2  GLY  14           HA2      GLY  14  -6.047  -4.925   2.450
   92    HA3  GLY  14           HA1      GLY  14  -5.637  -3.246   2.787
   93    H    CYS  15           HN       CYS  15  -3.027  -3.523   1.521
   94    HA   CYS  15           HA       CYS  15  -3.717  -2.682  -1.109
   95    HB2  CYS  15           HB2      CYS  15  -1.094  -3.423   0.114
   96    HB3  CYS  15           HB1      CYS  15  -1.272  -2.614  -1.442
   97    H    CYS  16           HN       CYS  16  -3.373  -3.690  -3.065
   98    HA   CYS  16           HA       CYS  16  -3.597  -6.479  -3.179
   99    HB2  CYS  16           HB2      CYS  16  -2.689  -4.587  -5.353
  100    HB3  CYS  16           HB1      CYS  16  -3.249  -6.239  -5.598
  101    H    THR  17           HN       THR  17  -0.712  -4.349  -3.444
  102    HA   THR  17           HA       THR  17   1.083  -6.467  -4.034
  103    HB   THR  17           HB       THR  17   2.688  -4.598  -3.381
  104    HG1  THR  17           HG1      THR  17   1.787  -2.645  -3.032
  105   HG21  THR  17          HG21      THR  17   2.162  -3.368  -5.473
  106   HG22  THR  17          HG22      THR  17   0.635  -4.248  -5.570
  107   HG23  THR  17          HG23      THR  17   2.164  -5.116  -5.699
  108    H    LYS  18           HN       LYS  18  -0.559  -5.621  -1.281
  109    HA   LYS  18           HA       LYS  18  -0.438  -6.007   0.933
  110    HB2  LYS  18           HB2      LYS  18   1.938  -7.790   0.301
  111    HB3  LYS  18           HB1      LYS  18   0.969  -7.836   1.761
  112    HG2  LYS  18           HG2      LYS  18  -0.017  -8.521  -1.013
  113    HG3  LYS  18           HG1      LYS  18   0.479  -9.688   0.205
  114    HD2  LYS  18           HD2      LYS  18  -1.795  -7.723   0.543
  115    HD3  LYS  18           HD1      LYS  18  -1.993  -9.387   0.007
  116    HE2  LYS  18           HE2      LYS  18  -0.851  -8.503   2.661
  117    HE3  LYS  18           HE1      LYS  18  -2.466  -9.152   2.394
  118    HZ1  LYS  18           HZ1      LYS  18  -1.401 -11.233   1.623
  119    HZ2  LYS  18           HZ2      LYS  18  -1.070 -10.857   3.220
  120    HZ3  LYS  18           HZ3      LYS  18   0.110 -10.598   2.052
  121    H    ASN  19           HN       ASN  19   1.349  -3.983  -0.512
  122    HA   ASN  19           HA       ASN  19   3.087  -3.367   1.778
  123    HB2  ASN  19           HB2      ASN  19   4.462  -4.131  -0.129
  124    HB3  ASN  19           HB1      ASN  19   3.726  -2.904  -1.146
  125   HD21  ASN  19          HD21      ASN  19   5.774  -1.967  -1.553
  126   HD22  ASN  19          HD22      ASN  19   6.551  -0.991  -0.371
  127    H    CYS  20           HN       CYS  20   2.476  -1.553   2.703
  128    HA   CYS  20           HA       CYS  20   1.118   0.493   1.101
  129    HB2  CYS  20           HB2      CYS  20  -0.255  -0.470   2.916
  130    HB3  CYS  20           HB1      CYS  20   0.992  -0.068   4.092
  131    H    GLY  21           HN       GLY  21   2.176   2.423   0.896
  132    HA2  GLY  21           HA2      GLY  21   4.870   2.526   1.924
  133    HA3  GLY  21           HA1      GLY  21   4.107   3.640   0.795
  134    H    TRP  22           HN       TRP  22   5.715   4.665   2.785
  135    HA   TRP  22           HA       TRP  22   4.189   5.395   5.054
  136    HB2  TRP  22           HB2      TRP  22   6.030   6.807   5.596
  137    HB3  TRP  22           HB1      TRP  22   6.697   5.257   5.205
  138    HD1  TRP  22           HD1      TRP  22   7.415   5.421   2.228
  139    HE1  TRP  22           HE1      TRP  22   8.927   7.267   1.264
  140    HE3  TRP  22           HE3      TRP  22   6.923   8.739   5.934
  141    HZ2  TRP  22           HZ2      TRP  22   9.821   9.857   2.041
  142    HZ3  TRP  22           HZ3      TRP  22   8.141  10.931   5.816
  143    HH2  TRP  22           HH2      TRP  22   9.561  11.450   3.891
  144    H    ASN  23           HN       ASN  23   4.060   6.273   1.939
  145    HA   ASN  23           HA       ASN  23   3.306   9.057   2.277
  146    HB2  ASN  23           HB2      ASN  23   3.069   9.083  -0.135
  147    HB3  ASN  23           HB1      ASN  23   4.616   8.372   0.294
  148   HD21  ASN  23          HD21      ASN  23   3.150   8.115  -2.151
  149   HD22  ASN  23          HD22      ASN  23   2.804   6.451  -2.416
  150    H    PHE  24           HN       PHE  24   1.951   6.227   2.953
  151    HA   PHE  24           HA       PHE  24  -0.104   5.522   3.426
  152    HB2  PHE  24           HB2      PHE  24  -0.908   8.355   2.739
  153    HB3  PHE  24           HB1      PHE  24  -2.023   7.157   3.374
  154    HD1  PHE  24           HD1      PHE  24   0.941   9.214   4.135
  155    HD2  PHE  24           HD2      PHE  24  -2.066   6.645   5.694
  156    HE1  PHE  24           HE1      PHE  24   1.555   9.895   6.421
  157    HE2  PHE  24           HE2      PHE  24  -1.460   7.315   7.979
  158    HZ   PHE  24           HZ       PHE  24   0.351   8.941   8.349
  159    H    LYS  25           HN       LYS  25   1.036   5.434   0.674
  160    HA   LYS  25           HA       LYS  25  -1.486   4.735  -0.652
  161    HB2  LYS  25           HB2      LYS  25   0.985   5.943  -1.863
  162    HB3  LYS  25           HB1      LYS  25  -0.271   5.181  -2.830
  163    HG2  LYS  25           HG2      LYS  25  -1.869   6.861  -2.066
  164    HG3  LYS  25           HG1      LYS  25  -0.619   7.597  -1.058
  165    HD2  LYS  25           HD2      LYS  25   0.706   8.106  -3.016
  166    HD3  LYS  25           HD1      LYS  25  -0.470   7.303  -4.058
  167    HE2  LYS  25           HE2      LYS  25  -2.150   8.950  -3.473
  168    HE3  LYS  25           HE1      LYS  25  -1.041   9.715  -2.336
  169    HZ1  LYS  25           HZ1      LYS  25   0.395  10.294  -4.202
  170    HZ2  LYS  25           HZ2      LYS  25  -1.138  10.933  -4.390
  171    HZ3  LYS  25           HZ3      LYS  25  -0.684   9.598  -5.298
  172    H    CYS  26           HN       CYS  26  -1.430   2.839  -1.849
  173    HA   CYS  26           HA       CYS  26   0.347   0.872  -0.853
  174    HB2  CYS  26           HB2      CYS  26  -1.688   0.842  -3.045
  175    HB3  CYS  26           HB1      CYS  26  -0.830  -0.625  -2.534
  176    H    ASN  27           HN       ASN  27   2.215   0.203  -1.570
  177    HA   ASN  27           HA       ASN  27   3.277   1.294  -4.102
  178    HB2  ASN  27           HB2      ASN  27   4.641   0.710  -1.450
  179    HB3  ASN  27           HB1      ASN  27   5.555   0.880  -2.931
  180   HD21  ASN  27          HD21      ASN  27   2.760   2.876  -2.138
  181   HD22  ASN  27          HD22      ASN  27   3.649   4.323  -1.894
  182    HA   HYP  28           HA       HYP  28   4.049  -2.950  -5.490
  183    HB2  HYP  28           HB1      HYP  28   5.641  -2.781  -7.162
  184    HB3  HYP  28           HB2      HYP  28   6.871  -2.188  -6.042
  185    HG   HYP  28           HG       HYP  28   6.351  -0.280  -7.341
  186   HD22  HYP  28          HD11      HYP  28   4.643   0.894  -5.675
  187   HD23  HYP  28          HD12      HYP  28   6.180   0.299  -5.012
  188    HD1  HYP  28           HD2      HYP  28   4.005   0.237  -7.420
  189    HA   HYP  29           HA       HYP  29   5.396  -5.141  -1.951
  190    HB2  HYP  29           HB1      HYP  29   4.833  -7.170  -2.767
  191    HB3  HYP  29           HB2      HYP  29   6.519  -7.350  -3.258
  192    HG   HYP  29           HG       HYP  29   5.689  -7.379  -5.399
  193   HD22  HYP  29          HD11      HYP  29   4.852  -4.859  -5.964
  194   HD23  HYP  29          HD12      HYP  29   6.564  -5.161  -5.594
  195    HD1  HYP  29           HD2      HYP  29   3.609  -6.145  -5.627
  196    H    ASN  30           HN       ASN  30   7.157  -5.269  -0.681
  197    HA   ASN  30           HA       ASN  30   9.793  -5.227  -1.931
  198    HB2  ASN  30           HB2      ASN  30   9.249  -2.898  -1.338
  199    HB3  ASN  30           HB1      ASN  30   8.926  -3.392   0.318
  200   HD21  ASN  30          HD21      ASN  30  10.492  -2.103   1.188
  201   HD22  ASN  30          HD22      ASN  30  12.172  -2.399   1.005
  202    H    GLN  31           HN       GLN  31   8.358  -5.160   1.350
  203    HA   GLN  31           HA       GLN  31  10.075  -7.418   2.044
  204    HB2  GLN  31           HB2      GLN  31   8.572  -5.454   3.793
  205    HB3  GLN  31           HB1      GLN  31   9.563  -6.779   4.393
  206    HG2  GLN  31           HG2      GLN  31  11.535  -5.809   3.454
  207    HG3  GLN  31           HG1      GLN  31  10.593  -4.560   2.649
  208   HE21  GLN  31          HE21      GLN  31  11.682  -2.955   3.596
  209   HE22  GLN  31          HE22      GLN  31  11.538  -2.515   5.262
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1 -12.465  -8.152  -3.625
    2    H2   GLY   1           HT2      GLY   1 -12.276  -7.152  -2.262
    3    H3   GLY   1           HT3      GLY   1 -11.157  -8.365  -2.566
    4    HA2  GLY   1           HA1      GLY   1 -10.451  -7.241  -4.560
    5    HA3  GLY   1           HA2      GLY   1 -11.643  -5.987  -4.228
    6    H    CYS   2           HN       CYS   2  -8.523  -6.450  -4.149
    7    HA   CYS   2           HA       CYS   2  -7.940  -5.428  -1.529
    8    HB2  CYS   2           HB2      CYS   2  -5.587  -5.493  -2.483
    9    HB3  CYS   2           HB1      CYS   2  -6.422  -7.041  -2.367
   10    H    ILE   3           HN       ILE   3  -6.302  -3.532  -1.533
   11    HA   ILE   3           HA       ILE   3  -7.515  -1.344  -2.973
   12    HB   ILE   3           HB       ILE   3  -5.224  -1.340  -0.969
   13   HG12  ILE   3          HG12      ILE   3  -8.159  -0.741  -0.555
   14   HG13  ILE   3          HG11      ILE   3  -7.322  -2.179   0.010
   15   HG21  ILE   3          HG21      ILE   3  -6.908   0.917  -2.054
   16   HG22  ILE   3          HG22      ILE   3  -5.200   0.621  -2.386
   17   HG23  ILE   3          HG23      ILE   3  -5.718   1.064  -0.760
   18   HD11  ILE   3          HD11      ILE   3  -7.655  -0.578   1.807
   19   HD12  ILE   3          HD12      ILE   3  -6.770   0.644   0.894
   20   HD13  ILE   3          HD13      ILE   3  -5.938  -0.799   1.471
   21    H    ALA   4           HN       ALA   4  -6.738  -0.636  -4.809
   22    HA   ALA   4           HA       ALA   4  -4.558  -1.896  -6.095
   23    HB1  ALA   4           HB1      ALA   4  -4.963  -0.323  -7.905
   24    HB2  ALA   4           HB2      ALA   4  -6.018   0.620  -6.858
   25    HB3  ALA   4           HB3      ALA   4  -6.475  -1.022  -7.322
   26    H    THR   5           HN       THR   5  -2.579  -1.002  -6.721
   27    HA   THR   5           HA       THR   5  -1.465   0.640  -4.750
   28    HB   THR   5           HB       THR   5   0.582   0.518  -5.982
   29    HG1  THR   5           HG1      THR   5  -0.350   0.543  -8.139
   30   HG21  THR   5          HG21      THR   5   0.846  -1.928  -5.995
   31   HG22  THR   5          HG22      THR   5  -0.907  -2.082  -5.842
   32   HG23  THR   5          HG23      THR   5   0.029  -1.310  -4.564
   33    H    GLY   6           HN       GLY   6  -0.823   2.722  -4.797
   34    HA2  GLY   6           HA2      GLY   6  -0.743   4.899  -5.804
   35    HA3  GLY   6           HA1      GLY   6  -1.899   4.335  -7.006
   36    H    SER   7           HN       SER   7  -3.362   2.992  -4.664
   37    HA   SER   7           HA       SER   7  -4.983   5.311  -4.034
   38    HB2  SER   7           HB2      SER   7  -5.441   2.367  -3.559
   39    HB3  SER   7           HB1      SER   7  -6.617   3.635  -3.221
   40    HG   SER   7           HG       SER   7  -5.495   3.472  -5.785
   41    H    PHE   8           HN       PHE   8  -5.832   5.513  -1.801
   42    HA   PHE   8           HA       PHE   8  -3.696   5.787   0.041
   43    HB2  PHE   8           HB2      PHE   8  -5.510   7.409  -0.100
   44    HB3  PHE   8           HB1      PHE   8  -6.682   6.176   0.333
   45    HD1  PHE   8           HD1      PHE   8  -7.095   5.629   2.614
   46    HD2  PHE   8           HD2      PHE   8  -3.882   8.223   1.582
   47    HE1  PHE   8           HE1      PHE   8  -6.846   6.254   4.975
   48    HE2  PHE   8           HE2      PHE   8  -3.627   8.848   3.944
   49    HZ   PHE   8           HZ       PHE   8  -5.110   7.864   5.646
   50    H    CYS   9           HN       CYS   9  -3.089   4.537   1.679
   51    HA   CYS   9           HA       CYS   9  -4.835   2.361   2.571
   52    HB2  CYS   9           HB2      CYS   9  -2.945   0.845   2.660
   53    HB3  CYS   9           HB1      CYS   9  -3.191   1.418   1.014
   54    H    THR  10           HN       THR  10  -4.679   1.914   4.716
   55    HA   THR  10           HA       THR  10  -2.660   3.342   6.248
   56    HB   THR  10           HB       THR  10  -4.375   2.845   8.154
   57    HG1  THR  10           HG1      THR  10  -6.069   1.824   7.413
   58   HG21  THR  10          HG21      THR  10  -5.573   4.945   7.678
   59   HG22  THR  10          HG22      THR  10  -4.993   4.896   6.012
   60   HG23  THR  10          HG23      THR  10  -3.850   5.112   7.336
   61    H    LEU  11           HN       LEU  11  -4.058   0.319   5.335
   62    HA   LEU  11           HA       LEU  11  -2.357  -1.109   7.256
   63    HB2  LEU  11           HB2      LEU  11  -4.966  -1.981   6.012
   64    HB3  LEU  11           HB1      LEU  11  -3.974  -2.947   7.079
   65    HG   LEU  11           HG       LEU  11  -5.383  -0.397   7.857
   66   HD11  LEU  11          HD11      LEU  11  -6.010  -3.276   8.491
   67   HD12  LEU  11          HD12      LEU  11  -6.947  -2.211   7.445
   68   HD13  LEU  11          HD13      LEU  11  -6.830  -1.873   9.172
   69   HD21  LEU  11          HD21      LEU  11  -4.761  -1.034  10.145
   70   HD22  LEU  11          HD22      LEU  11  -3.345  -0.740   9.140
   71   HD23  LEU  11          HD23      LEU  11  -3.836  -2.395   9.506
   72    H    SER  12           HN       SER  12  -0.962  -2.604   6.444
   73    HA   SER  12           HA       SER  12  -0.110  -2.583   3.811
   74    HB2  SER  12           HB2      SER  12   1.145  -4.644   4.556
   75    HB3  SER  12           HB1      SER  12   1.341  -3.225   5.593
   76    HG   SER  12           HG       SER  12   0.822  -4.702   7.054
   77    H    LYS  13           HN       LYS  13  -2.027  -4.983   5.519
   78    HA   LYS  13           HA       LYS  13  -2.333  -6.807   3.434
   79    HB2  LYS  13           HB2      LYS  13  -4.063  -7.906   4.709
   80    HB3  LYS  13           HB1      LYS  13  -2.731  -7.477   5.749
   81    HG2  LYS  13           HG2      LYS  13  -5.234  -5.807   5.582
   82    HG3  LYS  13           HG1      LYS  13  -5.108  -7.198   6.648
   83    HD2  LYS  13           HD2      LYS  13  -3.286  -4.773   6.732
   84    HD3  LYS  13           HD1      LYS  13  -4.672  -5.036   7.772
   85    HE2  LYS  13           HE2      LYS  13  -2.259  -6.856   7.636
   86    HE3  LYS  13           HE1      LYS  13  -2.535  -5.625   8.857
   87    HZ1  LYS  13           HZ1      LYS  13  -4.283  -7.992   8.385
   88    HZ2  LYS  13           HZ2      LYS  13  -4.546  -6.830   9.542
   89    HZ3  LYS  13           HZ3      LYS  13  -3.184  -7.817   9.637
   90    H    GLY  14           HN       GLY  14  -3.746  -3.784   3.643
   91    HA2  GLY  14           HA2      GLY  14  -6.202  -4.448   2.315
   92    HA3  GLY  14           HA1      GLY  14  -5.544  -2.832   2.573
   93    H    CYS  15           HN       CYS  15  -3.034  -3.319   1.432
   94    HA   CYS  15           HA       CYS  15  -3.587  -2.586  -1.240
   95    HB2  CYS  15           HB2      CYS  15  -1.023  -3.389   0.085
   96    HB3  CYS  15           HB1      CYS  15  -1.165  -2.532  -1.450
   97    H    CYS  16           HN       CYS  16  -3.368  -3.695  -3.140
   98    HA   CYS  16           HA       CYS  16  -3.537  -6.486  -3.222
   99    HB2  CYS  16           HB2      CYS  16  -2.608  -4.603  -5.402
  100    HB3  CYS  16           HB1      CYS  16  -3.127  -6.267  -5.647
  101    H    THR  17           HN       THR  17  -0.675  -4.322  -3.536
  102    HA   THR  17           HA       THR  17   1.090  -6.490  -3.982
  103    HB   THR  17           HB       THR  17   2.764  -4.644  -3.460
  104    HG1  THR  17           HG1      THR  17   1.986  -2.634  -3.180
  105   HG21  THR  17          HG21      THR  17   2.307  -3.519  -5.624
  106   HG22  THR  17          HG22      THR  17   0.713  -4.269  -5.650
  107   HG23  THR  17          HG23      THR  17   2.159  -5.272  -5.747
  108    H    LYS  18           HN       LYS  18  -0.550  -5.452  -1.283
  109    HA   LYS  18           HA       LYS  18  -0.419  -5.648   0.960
  110    HB2  LYS  18           HB2      LYS  18   1.871  -7.555   0.395
  111    HB3  LYS  18           HB1      LYS  18   1.100  -7.350   1.955
  112    HG2  LYS  18           HG2      LYS  18  -0.229  -8.400  -0.540
  113    HG3  LYS  18           HG1      LYS  18   0.369  -9.376   0.801
  114    HD2  LYS  18           HD2      LYS  18  -1.209  -8.128   2.287
  115    HD3  LYS  18           HD1      LYS  18  -1.895  -7.382   0.840
  116    HE2  LYS  18           HE2      LYS  18  -1.805 -10.341   1.467
  117    HE3  LYS  18           HE1      LYS  18  -3.225  -9.308   1.558
  118    HZ1  LYS  18           HZ1      LYS  18  -3.088  -9.000  -0.868
  119    HZ2  LYS  18           HZ2      LYS  18  -3.219 -10.603  -0.458
  120    HZ3  LYS  18           HZ3      LYS  18  -1.730 -10.006  -0.929
  121    H    ASN  19           HN       ASN  19   1.497  -3.873  -0.697
  122    HA   ASN  19           HA       ASN  19   3.372  -3.226   1.482
  123    HB2  ASN  19           HB2      ASN  19   4.438  -3.975  -0.648
  124    HB3  ASN  19           HB1      ASN  19   3.663  -2.628  -1.471
  125   HD21  ASN  19          HD21      ASN  19   5.599  -1.674  -2.073
  126   HD22  ASN  19          HD22      ASN  19   6.654  -0.944  -0.923
  127    H    CYS  20           HN       CYS  20   2.448  -1.684   2.616
  128    HA   CYS  20           HA       CYS  20   1.166   0.549   1.218
  129    HB2  CYS  20           HB2      CYS  20  -0.236  -0.639   2.867
  130    HB3  CYS  20           HB1      CYS  20   0.982  -0.371   4.106
  131    H    GLY  21           HN       GLY  21   2.446   2.277   0.999
  132    HA2  GLY  21           HA2      GLY  21   5.003   2.341   2.364
  133    HA3  GLY  21           HA1      GLY  21   4.442   3.387   1.078
  134    H    TRP  22           HN       TRP  22   5.817   4.668   2.820
  135    HA   TRP  22           HA       TRP  22   4.329   5.644   5.057
  136    HB2  TRP  22           HB2      TRP  22   6.300   7.178   5.256
  137    HB3  TRP  22           HB1      TRP  22   6.692   5.469   5.367
  138    HD1  TRP  22           HD1      TRP  22   6.306   7.436   2.037
  139    HE1  TRP  22           HE1      TRP  22   8.559   7.382   0.799
  140    HE3  TRP  22           HE3      TRP  22   9.162   5.170   5.612
  141    HZ2  TRP  22           HZ2      TRP  22  11.186   6.520   1.266
  142    HZ3  TRP  22           HZ3      TRP  22  11.539   4.773   5.138
  143    HH2  TRP  22           HH2      TRP  22  12.527   5.436   3.007
  144    H    ASN  23           HN       ASN  23   4.049   6.101   1.925
  145    HA   ASN  23           HA       ASN  23   3.493   8.962   1.931
  146    HB2  ASN  23           HB2      ASN  23   3.238   8.670  -0.495
  147    HB3  ASN  23           HB1      ASN  23   4.793   8.050   0.045
  148   HD21  ASN  23          HD21      ASN  23   3.429   7.390  -2.369
  149   HD22  ASN  23          HD22      ASN  23   3.120   5.685  -2.338
  150    H    PHE  24           HN       PHE  24   2.044   6.275   2.907
  151    HA   PHE  24           HA       PHE  24  -0.022   5.653   3.429
  152    HB2  PHE  24           HB2      PHE  24  -0.711   8.468   2.588
  153    HB3  PHE  24           HB1      PHE  24  -1.916   7.341   3.196
  154    HD1  PHE  24           HD1      PHE  24   0.937   9.450   4.049
  155    HD2  PHE  24           HD2      PHE  24  -1.909   6.653   5.514
  156    HE1  PHE  24           HE1      PHE  24   1.498  10.095   6.359
  157    HE2  PHE  24           HE2      PHE  24  -1.354   7.289   7.826
  158    HZ   PHE  24           HZ       PHE  24   0.353   9.012   8.250
  159    H    LYS  25           HN       LYS  25   1.088   5.285   0.711
  160    HA   LYS  25           HA       LYS  25  -1.464   4.594  -0.513
  161    HB2  LYS  25           HB2      LYS  25   0.944   5.754  -1.873
  162    HB3  LYS  25           HB1      LYS  25  -0.356   4.945  -2.734
  163    HG2  LYS  25           HG2      LYS  25  -1.931   6.616  -1.980
  164    HG3  LYS  25           HG1      LYS  25  -0.667   7.398  -1.022
  165    HD2  LYS  25           HD2      LYS  25   0.606   7.823  -3.025
  166    HD3  LYS  25           HD1      LYS  25  -0.627   7.031  -4.008
  167    HE2  LYS  25           HE2      LYS  25  -2.232   8.718  -3.420
  168    HE3  LYS  25           HE1      LYS  25  -1.098   9.446  -2.281
  169    HZ1  LYS  25           HZ1      LYS  25  -0.786   9.335  -5.238
  170    HZ2  LYS  25           HZ2      LYS  25   0.381   9.846  -4.172
  171    HZ3  LYS  25           HZ3      LYS  25  -1.054  10.724  -4.302
  172    H    CYS  26           HN       CYS  26  -1.493   2.773  -1.673
  173    HA   CYS  26           HA       CYS  26   0.285   0.711  -0.894
  174    HB2  CYS  26           HB2      CYS  26  -1.853   0.881  -2.990
  175    HB3  CYS  26           HB1      CYS  26  -1.036  -0.630  -2.561
  176    H    ASN  27           HN       ASN  27   2.141   0.177  -1.802
  177    HA   ASN  27           HA       ASN  27   2.837   1.387  -4.408
  178    HB2  ASN  27           HB2      ASN  27   4.615   0.878  -2.010
  179    HB3  ASN  27           HB1      ASN  27   5.170   1.490  -3.559
  180   HD21  ASN  27          HD21      ASN  27   5.437   2.649  -0.931
  181   HD22  ASN  27          HD22      ASN  27   4.636   4.174  -0.975
  182    HA   HYP  28           HA       HYP  28   4.135  -2.872  -5.287
  183    HB2  HYP  28           HB1      HYP  28   4.774  -2.768  -7.508
  184    HB3  HYP  28           HB2      HYP  28   6.212  -1.837  -7.092
  185    HG   HYP  28           HG       HYP  28   4.994  -0.214  -8.248
  186   HD22  HYP  28          HD11      HYP  28   3.475   0.858  -6.304
  187   HD23  HYP  28          HD12      HYP  28   5.238   0.800  -6.090
  188    HD1  HYP  28           HD2      HYP  28   2.560  -0.365  -7.388
  189    HA   HYP  29           HA       HYP  29   7.662  -2.824  -2.729
  190    HB2  HYP  29           HB1      HYP  29   6.759  -4.611  -1.728
  191    HB3  HYP  29           HB2      HYP  29   7.957  -5.572  -2.600
  192    HG   HYP  29           HG       HYP  29   6.156  -6.527  -3.657
  193   HD22  HYP  29          HD11      HYP  29   5.070  -4.652  -5.271
  194   HD23  HYP  29          HD12      HYP  29   6.750  -5.179  -5.538
  195    HD1  HYP  29           HD2      HYP  29   4.203  -5.614  -3.616
  196    H    ASN  30           HN       ASN  30   9.751  -3.570  -2.260
  197    HA   ASN  30           HA       ASN  30  11.354  -4.448  -4.552
  198    HB2  ASN  30           HB2      ASN  30  13.279  -3.280  -3.473
  199    HB3  ASN  30           HB1      ASN  30  11.987  -2.159  -3.865
  200   HD21  ASN  30          HD21      ASN  30  10.823  -1.215  -2.189
  201   HD22  ASN  30          HD22      ASN  30  11.371  -1.220  -0.554
  202    H    GLN  31           HN       GLN  31   9.779  -5.603  -2.219
  203    HA   GLN  31           HA       GLN  31  11.818  -7.168  -0.871
  204    HB2  GLN  31           HB2      GLN  31   8.807  -7.199  -0.452
  205    HB3  GLN  31           HB1      GLN  31  10.002  -7.982   0.561
  206    HG2  GLN  31           HG2      GLN  31   9.472  -6.138   1.821
  207    HG3  GLN  31           HG1      GLN  31  10.871  -5.545   0.935
  208   HE21  GLN  31          HE21      GLN  31   7.439  -5.344   1.333
  209   HE22  GLN  31          HE22      GLN  31   7.206  -3.878   0.461
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1 -11.976  -4.612  -3.766
    2    H2   GLY   1           HT2      GLY   1 -12.437  -5.312  -2.318
    3    H3   GLY   1           HT3      GLY   1 -13.023  -5.952  -3.770
    4    HA2  GLY   1           HA1      GLY   1 -11.297  -7.336  -2.851
    5    HA3  GLY   1           HA2      GLY   1 -10.758  -6.584  -4.351
    6    H    CYS   2           HN       CYS   2  -8.586  -6.413  -3.935
    7    HA   CYS   2           HA       CYS   2  -7.659  -5.385  -1.419
    8    HB2  CYS   2           HB2      CYS   2  -5.426  -5.543  -2.526
    9    HB3  CYS   2           HB1      CYS   2  -6.313  -7.058  -2.472
   10    H    ILE   3           HN       ILE   3  -6.436  -3.443  -1.185
   11    HA   ILE   3           HA       ILE   3  -7.623  -1.276  -2.544
   12    HB   ILE   3           HB       ILE   3  -5.135  -1.190  -0.790
   13   HG12  ILE   3          HG12      ILE   3  -8.036  -0.768  -0.008
   14   HG13  ILE   3          HG11      ILE   3  -7.107  -2.218   0.351
   15   HG21  ILE   3          HG21      ILE   3  -5.465   0.819  -2.152
   16   HG22  ILE   3          HG22      ILE   3  -5.767   1.166  -0.450
   17   HG23  ILE   3          HG23      ILE   3  -7.119   0.960  -1.561
   18   HD11  ILE   3          HD11      ILE   3  -6.509   0.557   1.358
   19   HD12  ILE   3          HD12      ILE   3  -5.592  -0.899   1.741
   20   HD13  ILE   3          HD13      ILE   3  -7.263  -0.742   2.282
   21    H    ALA   4           HN       ALA   4  -7.085  -0.355  -4.323
   22    HA   ALA   4           HA       ALA   4  -5.229  -1.364  -6.134
   23    HB1  ALA   4           HB1      ALA   4  -6.524   1.356  -6.103
   24    HB2  ALA   4           HB2      ALA   4  -7.224  -0.110  -6.787
   25    HB3  ALA   4           HB3      ALA   4  -5.764   0.585  -7.494
   26    H    THR   5           HN       THR   5  -3.247  -0.663  -6.805
   27    HA   THR   5           HA       THR   5  -1.805   0.649  -4.777
   28    HB   THR   5           HB       THR   5   0.158   0.245  -6.161
   29    HG1  THR   5           HG1      THR   5  -1.319   0.092  -8.211
   30   HG21  THR   5          HG21      THR   5   0.094  -2.209  -5.877
   31   HG22  THR   5          HG22      THR   5  -1.646  -2.101  -5.605
   32   HG23  THR   5          HG23      THR   5  -0.526  -1.332  -4.480
   33    H    GLY   6           HN       GLY   6  -0.805   2.536  -4.776
   34    HA2  GLY   6           HA2      GLY   6  -0.299   4.666  -5.633
   35    HA3  GLY   6           HA1      GLY   6  -1.464   4.403  -6.937
   36    H    SER   7           HN       SER   7  -3.331   3.247  -4.865
   37    HA   SER   7           HA       SER   7  -4.605   5.708  -4.161
   38    HB2  SER   7           HB2      SER   7  -5.401   2.837  -3.681
   39    HB3  SER   7           HB1      SER   7  -6.450   4.253  -3.553
   40    HG   SER   7           HG       SER   7  -6.717   4.218  -5.560
   41    H    PHE   8           HN       PHE   8  -5.471   5.920  -1.959
   42    HA   PHE   8           HA       PHE   8  -3.441   5.940  -0.022
   43    HB2  PHE   8           HB2      PHE   8  -5.197   7.594   0.002
   44    HB3  PHE   8           HB1      PHE   8  -6.431   6.358   0.151
   45    HD1  PHE   8           HD1      PHE   8  -3.564   7.892   1.955
   46    HD2  PHE   8           HD2      PHE   8  -7.210   5.731   2.252
   47    HE1  PHE   8           HE1      PHE   8  -3.525   8.170   4.397
   48    HE2  PHE   8           HE2      PHE   8  -7.169   5.999   4.698
   49    HZ   PHE   8           HZ       PHE   8  -5.328   7.219   5.768
   50    H    CYS   9           HN       CYS   9  -2.893   4.544   1.526
   51    HA   CYS   9           HA       CYS   9  -4.540   2.130   1.871
   52    HB2  CYS   9           HB2      CYS   9  -2.434   0.994   2.516
   53    HB3  CYS   9           HB1      CYS   9  -2.443   1.561   0.853
   54    H    THR  10           HN       THR  10  -5.084   1.500   3.907
   55    HA   THR  10           HA       THR  10  -4.281   3.204   6.110
   56    HB   THR  10           HB       THR  10  -6.073   1.746   7.252
   57    HG1  THR  10           HG1      THR  10  -7.531   1.104   5.216
   58   HG21  THR  10          HG21      THR  10  -6.853   3.541   4.940
   59   HG22  THR  10          HG22      THR  10  -6.426   4.083   6.554
   60   HG23  THR  10          HG23      THR  10  -7.889   3.122   6.309
   61    H    LEU  11           HN       LEU  11  -4.340  -0.142   5.024
   62    HA   LEU  11           HA       LEU  11  -2.257  -0.825   6.965
   63    HB2  LEU  11           HB2      LEU  11  -4.632  -2.527   6.188
   64    HB3  LEU  11           HB1      LEU  11  -3.286  -3.064   7.167
   65    HG   LEU  11           HG       LEU  11  -5.250  -0.910   7.953
   66   HD11  LEU  11          HD11      LEU  11  -6.085  -2.567   9.546
   67   HD12  LEU  11          HD12      LEU  11  -4.985  -3.769   8.874
   68   HD13  LEU  11          HD13      LEU  11  -6.287  -3.113   7.882
   69   HD21  LEU  11          HD21      LEU  11  -3.049  -0.574   8.957
   70   HD22  LEU  11          HD22      LEU  11  -3.033  -2.249   9.508
   71   HD23  LEU  11          HD23      LEU  11  -4.212  -1.116  10.168
   72    H    SER  12           HN       SER  12  -0.768  -2.336   6.225
   73    HA   SER  12           HA       SER  12  -0.043  -2.249   3.551
   74    HB2  SER  12           HB2      SER  12   1.518  -4.100   4.310
   75    HB3  SER  12           HB1      SER  12   1.595  -2.567   5.190
   76    HG   SER  12           HG       SER  12   1.485  -4.011   6.738
   77    H    LYS  13           HN       LYS  13  -1.312  -4.970   5.388
   78    HA   LYS  13           HA       LYS  13  -1.522  -6.705   3.204
   79    HB2  LYS  13           HB2      LYS  13  -2.767  -8.228   4.604
   80    HB3  LYS  13           HB1      LYS  13  -1.421  -7.571   5.498
   81    HG2  LYS  13           HG2      LYS  13  -4.276  -6.608   5.793
   82    HG3  LYS  13           HG1      LYS  13  -3.568  -7.865   6.791
   83    HD2  LYS  13           HD2      LYS  13  -2.615  -4.994   6.617
   84    HD3  LYS  13           HD1      LYS  13  -3.600  -5.668   7.903
   85    HE2  LYS  13           HE2      LYS  13  -0.785  -6.543   7.210
   86    HE3  LYS  13           HE1      LYS  13  -1.233  -5.496   8.546
   87    HZ1  LYS  13           HZ1      LYS  13  -2.057  -8.344   8.235
   88    HZ2  LYS  13           HZ2      LYS  13  -2.471  -7.348   9.536
   89    HZ3  LYS  13           HZ3      LYS  13  -0.867  -7.764   9.253
   90    H    GLY  14           HN       GLY  14  -3.351  -4.022   3.680
   91    HA2  GLY  14           HA2      GLY  14  -5.825  -5.088   2.614
   92    HA3  GLY  14           HA1      GLY  14  -5.476  -3.392   2.958
   93    H    CYS  15           HN       CYS  15  -2.905  -3.666   1.507
   94    HA   CYS  15           HA       CYS  15  -3.870  -2.807  -1.056
   95    HB2  CYS  15           HB2      CYS  15  -1.062  -3.253  -0.046
   96    HB3  CYS  15           HB1      CYS  15  -1.504  -2.409  -1.524
   97    H    CYS  16           HN       CYS  16  -3.431  -3.791  -3.049
   98    HA   CYS  16           HA       CYS  16  -3.548  -6.561  -3.219
   99    HB2  CYS  16           HB2      CYS  16  -2.439  -4.647  -5.272
  100    HB3  CYS  16           HB1      CYS  16  -3.035  -6.273  -5.589
  101    H    THR  17           HN       THR  17  -0.724  -4.405  -3.385
  102    HA   THR  17           HA       THR  17   1.144  -6.476  -3.903
  103    HB   THR  17           HB       THR  17   2.675  -4.505  -3.434
  104    HG1  THR  17           HG1      THR  17   1.742  -2.630  -3.017
  105   HG21  THR  17          HG21      THR  17   2.034  -3.407  -5.553
  106   HG22  THR  17          HG22      THR  17   0.494  -4.270  -5.521
  107   HG23  THR  17          HG23      THR  17   2.001  -5.165  -5.701
  108    H    LYS  18           HN       LYS  18  -0.549  -5.706  -1.174
  109    HA   LYS  18           HA       LYS  18  -0.384  -6.051   1.052
  110    HB2  LYS  18           HB2      LYS  18   2.128  -7.625   0.419
  111    HB3  LYS  18           HB1      LYS  18   1.159  -7.747   1.876
  112    HG2  LYS  18           HG2      LYS  18   0.317  -8.543  -0.898
  113    HG3  LYS  18           HG1      LYS  18   0.792  -9.639   0.396
  114    HD2  LYS  18           HD2      LYS  18  -1.141  -8.882   1.715
  115    HD3  LYS  18           HD1      LYS  18  -1.602  -7.796   0.399
  116    HE2  LYS  18           HE2      LYS  18  -1.411 -10.802   0.233
  117    HE3  LYS  18           HE1      LYS  18  -2.899  -9.863   0.322
  118    HZ1  LYS  18           HZ1      LYS  18  -0.911  -9.708  -1.894
  119    HZ2  LYS  18           HZ2      LYS  18  -2.360  -8.866  -1.813
  120    HZ3  LYS  18           HZ3      LYS  18  -2.373 -10.535  -1.946
  121    H    ASN  19           HN       ASN  19   1.189  -3.869  -0.349
  122    HA   ASN  19           HA       ASN  19   2.962  -3.172   1.893
  123    HB2  ASN  19           HB2      ASN  19   4.324  -3.958   0.030
  124    HB3  ASN  19           HB1      ASN  19   3.552  -2.790  -1.034
  125   HD21  ASN  19          HD21      ASN  19   5.541  -1.879  -1.499
  126   HD22  ASN  19          HD22      ASN  19   6.369  -0.874  -0.390
  127    H    CYS  20           HN       CYS  20   2.253  -1.519   2.852
  128    HA   CYS  20           HA       CYS  20   0.871   0.614   1.389
  129    HB2  CYS  20           HB2      CYS  20  -0.346  -0.281   3.342
  130    HB3  CYS  20           HB1      CYS  20   1.060  -0.012   4.366
  131    H    GLY  21           HN       GLY  21   2.039   2.433   1.033
  132    HA2  GLY  21           HA2      GLY  21   4.769   2.385   1.917
  133    HA3  GLY  21           HA1      GLY  21   4.054   3.527   0.790
  134    H    TRP  22           HN       TRP  22   5.828   4.336   2.698
  135    HA   TRP  22           HA       TRP  22   4.796   5.342   5.073
  136    HB2  TRP  22           HB2      TRP  22   6.689   6.863   4.988
  137    HB3  TRP  22           HB1      TRP  22   7.250   5.258   4.677
  138    HD1  TRP  22           HD1      TRP  22   7.292   4.912   1.625
  139    HE1  TRP  22           HE1      TRP  22   8.487   6.552   0.049
  140    HE3  TRP  22           HE3      TRP  22   7.518   8.832   4.716
  141    HZ2  TRP  22           HZ2      TRP  22   9.424   9.228   0.130
  142    HZ3  TRP  22           HZ3      TRP  22   8.594  10.977   3.937
  143    HH2  TRP  22           HH2      TRP  22   9.525  11.133   1.679
  144    H    ASN  23           HN       ASN  23   4.250   6.275   1.892
  145    HA   ASN  23           HA       ASN  23   3.444   9.004   2.484
  146    HB2  ASN  23           HB2      ASN  23   3.222   9.222   0.065
  147    HB3  ASN  23           HB1      ASN  23   4.795   8.555   0.473
  148   HD21  ASN  23          HD21      ASN  23   3.492   8.415  -2.012
  149   HD22  ASN  23          HD22      ASN  23   3.257   6.762  -2.422
  150    H    PHE  24           HN       PHE  24   2.157   6.087   2.882
  151    HA   PHE  24           HA       PHE  24   0.176   5.196   3.121
  152    HB2  PHE  24           HB2      PHE  24  -0.614   8.082   3.268
  153    HB3  PHE  24           HB1      PHE  24  -1.847   6.823   3.302
  154    HD1  PHE  24           HD1      PHE  24  -2.024   5.289   5.159
  155    HD2  PHE  24           HD2      PHE  24   0.932   8.357   5.117
  156    HE1  PHE  24           HE1      PHE  24  -1.631   4.935   7.547
  157    HE2  PHE  24           HE2      PHE  24   1.325   8.002   7.519
  158    HZ   PHE  24           HZ       PHE  24   0.044   6.286   8.734
  159    H    LYS  25           HN       LYS  25   1.211   5.298   0.553
  160    HA   LYS  25           HA       LYS  25  -1.322   4.883  -0.868
  161    HB2  LYS  25           HB2      LYS  25   1.369   5.683  -1.885
  162    HB3  LYS  25           HB1      LYS  25   0.098   5.111  -2.964
  163    HG2  LYS  25           HG2      LYS  25  -1.271   7.047  -2.313
  164    HG3  LYS  25           HG1      LYS  25   0.023   7.583  -1.235
  165    HD2  LYS  25           HD2      LYS  25   1.533   7.808  -3.133
  166    HD3  LYS  25           HD1      LYS  25   0.270   7.232  -4.219
  167    HE2  LYS  25           HE2      LYS  25  -1.075   9.167  -3.769
  168    HE3  LYS  25           HE1      LYS  25   0.037   9.700  -2.511
  169    HZ1  LYS  25           HZ1      LYS  25   0.359  10.908  -4.603
  170    HZ2  LYS  25           HZ2      LYS  25   0.739   9.459  -5.392
  171    HZ3  LYS  25           HZ3      LYS  25   1.724  10.037  -4.160
  172    H    CYS  26           HN       CYS  26  -1.505   2.889  -1.860
  173    HA   CYS  26           HA       CYS  26   0.152   0.809  -0.878
  174    HB2  CYS  26           HB2      CYS  26  -1.957   0.916  -3.005
  175    HB3  CYS  26           HB1      CYS  26  -1.173  -0.607  -2.538
  176    H    ASN  27           HN       ASN  27   2.006   0.161  -1.629
  177    HA   ASN  27           HA       ASN  27   2.904   1.203  -4.233
  178    HB2  ASN  27           HB2      ASN  27   4.352   0.955  -1.601
  179    HB3  ASN  27           HB1      ASN  27   5.204   1.275  -3.111
  180   HD21  ASN  27          HD21      ASN  27   5.183   3.002  -0.874
  181   HD22  ASN  27          HD22      ASN  27   4.376   4.468  -1.313
  182    HA   HYP  28           HA       HYP  28   4.122  -2.880  -5.664
  183    HB2  HYP  28           HB1      HYP  28   6.023  -2.674  -6.984
  184    HB3  HYP  28           HB2      HYP  28   6.984  -2.037  -5.642
  185    HG   HYP  28           HG       HYP  28   6.609  -0.142  -7.063
  186   HD22  HYP  28          HD11      HYP  28   4.652   0.962  -5.667
  187   HD23  HYP  28          HD12      HYP  28   6.070   0.373  -4.763
  188    HD1  HYP  28           HD2      HYP  28   3.918  -0.321  -7.043
  189    HA   HYP  29           HA       HYP  29   4.767  -5.034  -1.935
  190    HB2  HYP  29           HB1      HYP  29   4.288  -7.055  -2.848
  191    HB3  HYP  29           HB2      HYP  29   6.030  -7.306  -2.976
  192    HG   HYP  29           HG       HYP  29   5.675  -7.310  -5.257
  193   HD22  HYP  29          HD11      HYP  29   5.037  -4.775  -5.979
  194   HD23  HYP  29          HD12      HYP  29   6.619  -5.120  -5.247
  195    HD1  HYP  29           HD2      HYP  29   3.696  -6.031  -5.918
  196    H    ASN  30           HN       ASN  30   6.184  -4.920  -0.364
  197    HA   ASN  30           HA       ASN  30   9.040  -4.899  -1.008
  198    HB2  ASN  30           HB2      ASN  30   8.322  -2.584  -0.599
  199    HB3  ASN  30           HB1      ASN  30   7.621  -3.066   0.941
  200   HD21  ASN  30          HD21      ASN  30   8.908  -1.722   2.131
  201   HD22  ASN  30          HD22      ASN  30  10.601  -1.983   2.365
  202    H    GLN  31           HN       GLN  31   9.555  -6.823  -0.252
  203    HA   GLN  31           HA       GLN  31   8.632  -7.615   2.377
  204    HB2  GLN  31           HB2      GLN  31  10.185  -9.096   0.237
  205    HB3  GLN  31           HB1      GLN  31   9.922  -9.752   1.840
  206    HG2  GLN  31           HG2      GLN  31   8.374 -10.760   0.309
  207    HG3  GLN  31           HG1      GLN  31   7.480  -9.714   1.398
  208   HE21  GLN  31          HE21      GLN  31   8.619 -10.159  -1.853
  209   HE22  GLN  31          HE22      GLN  31   7.563  -9.029  -2.600
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1 -12.290  -6.499  -1.084
    2    H2   GLY   1           HT2      GLY   1 -11.529  -7.971  -0.984
    3    H3   GLY   1           HT3      GLY   1 -12.812  -7.767  -2.082
    4    HA2  GLY   1           HA1      GLY   1 -10.686  -7.743  -3.227
    5    HA3  GLY   1           HA2      GLY   1 -11.429  -6.146  -3.285
    6    H    CYS   2           HN       CYS   2  -9.019  -5.700  -3.696
    7    HA   CYS   2           HA       CYS   2  -7.764  -5.148  -1.113
    8    HB2  CYS   2           HB2      CYS   2  -5.569  -5.473  -2.268
    9    HB3  CYS   2           HB1      CYS   2  -6.510  -6.949  -2.115
   10    H    ILE   3           HN       ILE   3  -6.422  -3.243  -1.144
   11    HA   ILE   3           HA       ILE   3  -7.585  -1.160  -2.708
   12    HB   ILE   3           HB       ILE   3  -5.120  -1.028  -0.935
   13   HG12  ILE   3          HG12      ILE   3  -8.013  -0.416  -0.262
   14   HG13  ILE   3          HG11      ILE   3  -7.119  -1.826   0.290
   15   HG21  ILE   3          HG21      ILE   3  -6.948   1.142  -1.978
   16   HG22  ILE   3          HG22      ILE   3  -5.283   0.850  -2.476
   17   HG23  ILE   3          HG23      ILE   3  -5.630   1.383  -0.831
   18   HD11  ILE   3          HD11      ILE   3  -5.586  -0.353   1.513
   19   HD12  ILE   3          HD12      ILE   3  -7.260  -0.146   2.029
   20   HD13  ILE   3          HD13      ILE   3  -6.515   1.039   0.956
   21    H    ALA   4           HN       ALA   4  -6.980  -0.492  -4.600
   22    HA   ALA   4           HA       ALA   4  -4.982  -1.738  -6.155
   23    HB1  ALA   4           HB1      ALA   4  -6.446   0.863  -6.626
   24    HB2  ALA   4           HB2      ALA   4  -6.990  -0.735  -7.136
   25    HB3  ALA   4           HB3      ALA   4  -5.533  -0.033  -7.838
   26    H    THR   5           HN       THR   5  -2.950  -0.963  -6.830
   27    HA   THR   5           HA       THR   5  -1.681   0.479  -4.791
   28    HB   THR   5           HB       THR   5   0.350   0.175  -6.065
   29    HG1  THR   5           HG1      THR   5  -0.726   0.234  -8.186
   30   HG21  THR   5          HG21      THR   5  -0.387  -1.551  -4.566
   31   HG22  THR   5          HG22      THR   5   0.350  -2.290  -5.990
   32   HG23  THR   5          HG23      THR   5  -1.405  -2.254  -5.822
   33    H    GLY   6           HN       GLY   6  -0.743   2.450  -4.784
   34    HA2  GLY   6           HA2      GLY   6  -0.314   4.590  -5.667
   35    HA3  GLY   6           HA1      GLY   6  -1.454   4.254  -6.966
   36    H    SER   7           HN       SER   7  -3.243   3.070  -4.784
   37    HA   SER   7           HA       SER   7  -4.592   5.572  -4.227
   38    HB2  SER   7           HB2      SER   7  -5.516   2.734  -3.740
   39    HB3  SER   7           HB1      SER   7  -6.514   4.190  -3.750
   40    HG   SER   7           HG       SER   7  -5.463   2.722  -5.823
   41    H    PHE   8           HN       PHE   8  -5.535   5.881  -2.085
   42    HA   PHE   8           HA       PHE   8  -3.587   5.831  -0.044
   43    HB2  PHE   8           HB2      PHE   8  -5.245   7.617  -0.294
   44    HB3  PHE   8           HB1      PHE   8  -6.539   6.475   0.004
   45    HD1  PHE   8           HD1      PHE   8  -3.611   8.117   1.571
   46    HD2  PHE   8           HD2      PHE   8  -7.284   6.053   2.188
   47    HE1  PHE   8           HE1      PHE   8  -3.528   8.682   3.959
   48    HE2  PHE   8           HE2      PHE   8  -7.199   6.606   4.579
   49    HZ   PHE   8           HZ       PHE   8  -5.318   7.926   5.469
   50    H    CYS   9           HN       CYS   9  -3.286   4.486   1.593
   51    HA   CYS   9           HA       CYS   9  -5.155   2.211   1.938
   52    HB2  CYS   9           HB2      CYS   9  -3.359   0.793   2.375
   53    HB3  CYS   9           HB1      CYS   9  -2.673   1.835   1.133
   54    H    THR  10           HN       THR  10  -5.194   1.395   4.213
   55    HA   THR  10           HA       THR  10  -4.300   3.406   6.105
   56    HB   THR  10           HB       THR  10  -5.985   2.132   7.655
   57    HG1  THR  10           HG1      THR  10  -7.218   0.724   6.683
   58   HG21  THR  10          HG21      THR  10  -6.267   4.461   6.926
   59   HG22  THR  10          HG22      THR  10  -7.813   3.611   6.917
   60   HG23  THR  10          HG23      THR  10  -6.957   3.904   5.402
   61    H    LEU  11           HN       LEU  11  -4.337  -0.007   5.236
   62    HA   LEU  11           HA       LEU  11  -1.969  -0.394   6.896
   63    HB2  LEU  11           HB2      LEU  11  -4.247  -2.376   6.550
   64    HB3  LEU  11           HB1      LEU  11  -2.697  -2.785   7.226
   65    HG   LEU  11           HG       LEU  11  -4.136  -2.638   9.039
   66   HD11  LEU  11          HD11      LEU  11  -2.069  -1.576   9.506
   67   HD12  LEU  11          HD12      LEU  11  -3.374  -0.784  10.391
   68   HD13  LEU  11          HD13      LEU  11  -2.699  -0.024   8.952
   69   HD21  LEU  11          HD21      LEU  11  -5.632  -0.742   9.533
   70   HD22  LEU  11          HD22      LEU  11  -6.047  -1.553   8.025
   71   HD23  LEU  11          HD23      LEU  11  -5.187  -0.013   7.990
   72    H    SER  12           HN       SER  12  -0.396  -1.683   5.905
   73    HA   SER  12           HA       SER  12  -0.268  -1.632   3.129
   74    HB2  SER  12           HB2      SER  12   1.743  -3.157   3.557
   75    HB3  SER  12           HB1      SER  12   1.762  -1.552   4.291
   76    HG   SER  12           HG       SER  12   2.285  -3.556   5.597
   77    H    LYS  13           HN       LYS  13  -1.164  -4.228   5.311
   78    HA   LYS  13           HA       LYS  13  -1.104  -6.242   3.339
   79    HB2  LYS  13           HB2      LYS  13  -2.331  -7.661   4.991
   80    HB3  LYS  13           HB1      LYS  13  -0.846  -6.961   5.586
   81    HG2  LYS  13           HG2      LYS  13  -2.403  -6.832   7.369
   82    HG3  LYS  13           HG1      LYS  13  -2.265  -5.203   6.729
   83    HD2  LYS  13           HD2      LYS  13  -4.555  -5.630   7.191
   84    HD3  LYS  13           HD1      LYS  13  -4.349  -5.589   5.444
   85    HE2  LYS  13           HE2      LYS  13  -5.825  -7.426   6.064
   86    HE3  LYS  13           HE1      LYS  13  -4.325  -8.075   5.412
   87    HZ1  LYS  13           HZ1      LYS  13  -3.588  -8.473   7.716
   88    HZ2  LYS  13           HZ2      LYS  13  -5.043  -9.268   7.429
   89    HZ3  LYS  13           HZ3      LYS  13  -5.023  -7.837   8.286
   90    H    GLY  14           HN       GLY  14  -3.300  -3.763   3.681
   91    HA2  GLY  14           HA2      GLY  14  -5.562  -5.260   2.625
   92    HA3  GLY  14           HA1      GLY  14  -5.533  -3.546   3.023
   93    H    CYS  15           HN       CYS  15  -2.817  -3.824   1.448
   94    HA   CYS  15           HA       CYS  15  -3.916  -2.810  -1.019
   95    HB2  CYS  15           HB2      CYS  15  -1.072  -3.249  -0.133
   96    HB3  CYS  15           HB1      CYS  15  -1.580  -2.375  -1.572
   97    H    CYS  16           HN       CYS  16  -3.508  -3.709  -3.061
   98    HA   CYS  16           HA       CYS  16  -3.719  -6.467  -3.281
   99    HB2  CYS  16           HB2      CYS  16  -2.835  -4.480  -5.354
  100    HB3  CYS  16           HB1      CYS  16  -3.368  -6.125  -5.696
  101    H    THR  17           HN       THR  17  -0.791  -4.470  -3.268
  102    HA   THR  17           HA       THR  17   0.918  -6.656  -4.012
  103    HB   THR  17           HB       THR  17   2.594  -4.853  -3.387
  104    HG1  THR  17           HG1      THR  17   1.726  -2.825  -3.108
  105   HG21  THR  17          HG21      THR  17   2.067  -3.567  -5.426
  106   HG22  THR  17          HG22      THR  17   0.507  -4.393  -5.515
  107   HG23  THR  17          HG23      THR  17   2.009  -5.311  -5.689
  108    H    LYS  18           HN       LYS  18  -0.711  -5.883  -1.216
  109    HA   LYS  18           HA       LYS  18  -0.484  -6.109   1.005
  110    HB2  LYS  18           HB2      LYS  18   1.925  -7.825   0.324
  111    HB3  LYS  18           HB1      LYS  18   1.193  -7.706   1.911
  112    HG2  LYS  18           HG2      LYS  18  -0.143  -8.797  -0.554
  113    HG3  LYS  18           HG1      LYS  18   0.577  -9.765   0.730
  114    HD2  LYS  18           HD2      LYS  18  -1.026  -8.728   2.326
  115    HD3  LYS  18           HD1      LYS  18  -1.780  -7.894   0.967
  116    HE2  LYS  18           HE2      LYS  18  -1.565 -10.881   1.327
  117    HE3  LYS  18           HE1      LYS  18  -3.019  -9.910   1.540
  118    HZ1  LYS  18           HZ1      LYS  18  -1.541 -10.308  -1.010
  119    HZ2  LYS  18           HZ2      LYS  18  -2.875  -9.310  -0.805
  120    HZ3  LYS  18           HZ3      LYS  18  -3.036 -10.964  -0.594
  121    H    ASN  19           HN       ASN  19   1.234  -4.141  -0.676
  122    HA   ASN  19           HA       ASN  19   2.993  -3.347   1.529
  123    HB2  ASN  19           HB2      ASN  19   4.313  -4.310  -0.322
  124    HB3  ASN  19           HB1      ASN  19   3.604  -3.138  -1.426
  125   HD21  ASN  19          HD21      ASN  19   5.594  -2.183  -1.952
  126   HD22  ASN  19          HD22      ASN  19   6.456  -1.227  -0.812
  127    H    CYS  20           HN       CYS  20   2.817  -1.317   2.152
  128    HA   CYS  20           HA       CYS  20   1.818   0.751   0.385
  129    HB2  CYS  20           HB2      CYS  20  -0.174  -0.095   1.775
  130    HB3  CYS  20           HB1      CYS  20   0.771   0.311   3.186
  131    H    GLY  21           HN       GLY  21   2.986   2.625   0.789
  132    HA2  GLY  21           HA2      GLY  21   5.176   2.229   2.685
  133    HA3  GLY  21           HA1      GLY  21   5.094   3.462   1.435
  134    H    TRP  22           HN       TRP  22   5.981   4.552   3.535
  135    HA   TRP  22           HA       TRP  22   4.232   5.324   5.562
  136    HB2  TRP  22           HB2      TRP  22   5.878   6.931   6.117
  137    HB3  TRP  22           HB1      TRP  22   6.766   5.520   5.642
  138    HD1  TRP  22           HD1      TRP  22   7.182   5.877   2.574
  139    HE1  TRP  22           HE1      TRP  22   8.430   7.908   1.621
  140    HE3  TRP  22           HE3      TRP  22   6.683   8.956   6.513
  141    HZ2  TRP  22           HZ2      TRP  22   9.130  10.524   2.466
  142    HZ3  TRP  22           HZ3      TRP  22   7.667  11.255   6.414
  143    HH2  TRP  22           HH2      TRP  22   8.870  12.001   4.415
  144    H    ASN  23           HN       ASN  23   4.379   6.145   2.329
  145    HA   ASN  23           HA       ASN  23   3.433   8.828   2.387
  146    HB2  ASN  23           HB2      ASN  23   3.165   8.568  -0.030
  147    HB3  ASN  23           HB1      ASN  23   4.712   7.900   0.470
  148   HD21  ASN  23          HD21      ASN  23   3.221   7.338  -1.948
  149   HD22  ASN  23          HD22      ASN  23   2.900   5.641  -1.931
  150    H    PHE  24           HN       PHE  24   2.026   5.828   2.977
  151    HA   PHE  24           HA       PHE  24  -0.029   5.138   3.485
  152    HB2  PHE  24           HB2      PHE  24  -0.800   8.028   3.085
  153    HB3  PHE  24           HB1      PHE  24  -1.989   6.791   3.455
  154    HD1  PHE  24           HD1      PHE  24  -1.947   5.652   5.621
  155    HD2  PHE  24           HD2      PHE  24   0.661   8.894   4.749
  156    HE1  PHE  24           HE1      PHE  24  -1.525   5.946   8.023
  157    HE2  PHE  24           HE2      PHE  24   1.096   9.199   7.154
  158    HZ   PHE  24           HZ       PHE  24  -0.004   7.721   8.796
  159    H    LYS  25           HN       LYS  25   1.079   5.283   0.726
  160    HA   LYS  25           HA       LYS  25  -1.442   4.510  -0.473
  161    HB2  LYS  25           HB2      LYS  25   0.733   6.075  -1.850
  162    HB3  LYS  25           HB1      LYS  25  -0.436   5.129  -2.756
  163    HG2  LYS  25           HG2      LYS  25  -1.380   7.258  -2.810
  164    HG3  LYS  25           HG1      LYS  25  -2.201   6.511  -1.462
  165    HD2  LYS  25           HD2      LYS  25  -1.622   8.641  -0.689
  166    HD3  LYS  25           HD1      LYS  25  -0.434   7.542   0.013
  167    HE2  LYS  25           HE2      LYS  25   0.759   9.469  -0.756
  168    HE3  LYS  25           HE1      LYS  25   1.128   8.149  -1.856
  169    HZ1  LYS  25           HZ1      LYS  25   0.678  10.210  -3.053
  170    HZ2  LYS  25           HZ2      LYS  25  -0.843  10.315  -2.348
  171    HZ3  LYS  25           HZ3      LYS  25  -0.515   9.072  -3.422
  172    H    CYS  26           HN       CYS  26  -1.470   2.745  -1.744
  173    HA   CYS  26           HA       CYS  26   0.235   0.701  -0.869
  174    HB2  CYS  26           HB2      CYS  26  -1.834   0.863  -3.010
  175    HB3  CYS  26           HB1      CYS  26  -1.104  -0.669  -2.486
  176    H    ASN  27           HN       ASN  27   2.134   0.135  -1.609
  177    HA   ASN  27           HA       ASN  27   3.087   1.322  -4.113
  178    HB2  ASN  27           HB2      ASN  27   4.600   0.368  -1.667
  179    HB3  ASN  27           HB1      ASN  27   5.385   0.824  -3.167
  180   HD21  ASN  27          HD21      ASN  27   5.684   1.955  -0.536
  181   HD22  ASN  27          HD22      ASN  27   5.272   3.622  -0.661
  182    HA   HYP  28           HA       HYP  28   3.737  -2.757  -5.943
  183    HB2  HYP  28           HB1      HYP  28   5.163  -2.352  -7.756
  184    HB3  HYP  28           HB2      HYP  28   6.302  -1.424  -6.771
  185    HG   HYP  28           HG       HYP  28   5.114   0.251  -7.958
  186   HD22  HYP  28          HD11      HYP  28   3.173   0.686  -6.068
  187   HD23  HYP  28          HD12      HYP  28   4.879   1.030  -5.733
  188    HD1  HYP  28           HD2      HYP  28   2.810   0.156  -7.887
  189    HA   HYP  29           HA       HYP  29   6.582  -4.914  -3.329
  190    HB2  HYP  29           HB1      HYP  29   6.330  -7.045  -4.140
  191    HB3  HYP  29           HB2      HYP  29   7.608  -6.730  -5.318
  192    HG   HYP  29           HG       HYP  29   5.808  -6.985  -6.803
  193   HD22  HYP  29          HD11      HYP  29   4.718  -4.555  -6.889
  194   HD23  HYP  29          HD12      HYP  29   6.475  -4.680  -7.134
  195    HD1  HYP  29           HD2      HYP  29   3.767  -5.974  -6.066
  196    H    ASN  30           HN       ASN  30   8.193  -3.509  -2.846
  197    HA   ASN  30           HA       ASN  30  10.315  -3.088  -4.822
  198    HB2  ASN  30           HB2      ASN  30   9.594  -1.460  -2.375
  199    HB3  ASN  30           HB1      ASN  30  10.949  -1.114  -3.441
  200   HD21  ASN  30          HD21      ASN  30   8.649   0.559  -2.810
  201   HD22  ASN  30          HD22      ASN  30   7.877   0.876  -4.320
  202    H    GLN  31           HN       GLN  31   9.718  -4.996  -2.255
  203    HA   GLN  31           HA       GLN  31  12.572  -5.252  -1.683
  204    HB2  GLN  31           HB2      GLN  31  10.307  -5.470   0.321
  205    HB3  GLN  31           HB1      GLN  31  11.962  -5.956   0.648
  206    HG2  GLN  31           HG2      GLN  31  12.683  -3.616   0.268
  207    HG3  GLN  31           HG1      GLN  31  10.999  -3.167   0.035
  208   HE21  GLN  31          HE21      GLN  31  10.043  -4.981   2.150
  209   HE22  GLN  31          HE22      GLN  31  10.488  -4.228   3.628
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1 -12.626  -5.713  -1.452
    2    H2   GLY   1           HT2      GLY   1 -11.987  -7.139  -0.814
    3    H3   GLY   1           HT3      GLY   1 -13.108  -7.215  -2.080
    4    HA2  GLY   1           HA1      GLY   1 -10.863  -7.590  -2.873
    5    HA3  GLY   1           HA2      GLY   1 -11.531  -6.098  -3.530
    6    H    CYS   2           HN       CYS   2  -8.805  -6.426  -3.432
    7    HA   CYS   2           HA       CYS   2  -7.889  -5.125  -1.009
    8    HB2  CYS   2           HB2      CYS   2  -5.612  -5.526  -2.023
    9    HB3  CYS   2           HB1      CYS   2  -6.542  -6.981  -1.690
   10    H    ILE   3           HN       ILE   3  -6.403  -3.265  -1.221
   11    HA   ILE   3           HA       ILE   3  -7.579  -1.297  -2.954
   12    HB   ILE   3           HB       ILE   3  -5.192  -1.028  -1.087
   13   HG12  ILE   3          HG12      ILE   3  -8.095  -0.329  -0.610
   14   HG13  ILE   3          HG11      ILE   3  -7.264  -1.718   0.084
   15   HG21  ILE   3          HG21      ILE   3  -5.678   1.385  -1.193
   16   HG22  ILE   3          HG22      ILE   3  -6.958   1.070  -2.367
   17   HG23  ILE   3          HG23      ILE   3  -5.279   0.725  -2.780
   18   HD11  ILE   3          HD11      ILE   3  -6.607   1.176   0.586
   19   HD12  ILE   3          HD12      ILE   3  -5.772  -0.208   1.292
   20   HD13  ILE   3          HD13      ILE   3  -7.466   0.094   1.684
   21    H    ALA   4           HN       ALA   4  -6.870  -0.766  -4.895
   22    HA   ALA   4           HA       ALA   4  -4.648  -2.085  -6.052
   23    HB1  ALA   4           HB1      ALA   4  -6.235   0.254  -7.110
   24    HB2  ALA   4           HB2      ALA   4  -6.624  -1.446  -7.372
   25    HB3  ALA   4           HB3      ALA   4  -5.139  -0.767  -8.041
   26    H    THR   5           HN       THR   5  -2.766  -1.090  -6.883
   27    HA   THR   5           HA       THR   5  -1.640   0.521  -4.908
   28    HB   THR   5           HB       THR   5   0.389   0.396  -6.168
   29    HG1  THR   5           HG1      THR   5   0.371  -0.291  -8.256
   30   HG21  THR   5          HG21      THR   5  -0.206  -1.420  -4.735
   31   HG22  THR   5          HG22      THR   5   0.600  -2.047  -6.174
   32   HG23  THR   5          HG23      THR   5  -1.152  -2.170  -6.020
   33    H    GLY   6           HN       GLY   6  -0.975   2.575  -4.913
   34    HA2  GLY   6           HA2      GLY   6  -0.657   4.700  -5.989
   35    HA3  GLY   6           HA1      GLY   6  -1.955   4.267  -7.099
   36    H    SER   7           HN       SER   7  -3.587   3.132  -4.911
   37    HA   SER   7           HA       SER   7  -4.772   5.624  -4.148
   38    HB2  SER   7           HB2      SER   7  -5.671   2.777  -3.734
   39    HB3  SER   7           HB1      SER   7  -6.640   4.217  -3.402
   40    HG   SER   7           HG       SER   7  -5.819   4.606  -5.773
   41    H    PHE   8           HN       PHE   8  -5.558   5.964  -1.987
   42    HA   PHE   8           HA       PHE   8  -3.516   5.907  -0.061
   43    HB2  PHE   8           HB2      PHE   8  -5.121   7.711  -0.135
   44    HB3  PHE   8           HB1      PHE   8  -6.453   6.596   0.120
   45    HD1  PHE   8           HD1      PHE   8  -7.144   6.030   2.290
   46    HD2  PHE   8           HD2      PHE   8  -3.467   8.068   1.715
   47    HE1  PHE   8           HE1      PHE   8  -6.964   6.377   4.712
   48    HE2  PHE   8           HE2      PHE   8  -3.287   8.425   4.141
   49    HZ   PHE   8           HZ       PHE   8  -5.029   7.579   5.639
   50    H    CYS   9           HN       CYS   9  -3.031   4.477   1.441
   51    HA   CYS   9           HA       CYS   9  -4.938   2.309   2.029
   52    HB2  CYS   9           HB2      CYS   9  -2.951   0.908   2.461
   53    HB3  CYS   9           HB1      CYS   9  -3.055   1.456   0.790
   54    H    THR  10           HN       THR  10  -5.058   1.625   4.182
   55    HA   THR  10           HA       THR  10  -3.693   3.338   6.118
   56    HB   THR  10           HB       THR  10  -5.480   2.487   7.701
   57    HG1  THR  10           HG1      THR  10  -7.029   1.244   6.970
   58   HG21  THR  10          HG21      THR  10  -5.658   4.699   6.661
   59   HG22  THR  10          HG22      THR  10  -7.252   3.951   6.800
   60   HG23  THR  10          HG23      THR  10  -6.421   3.980   5.248
   61    H    LEU  11           HN       LEU  11  -4.238   0.095   5.011
   62    HA   LEU  11           HA       LEU  11  -2.491  -0.977   7.105
   63    HB2  LEU  11           HB2      LEU  11  -4.790  -2.334   5.693
   64    HB3  LEU  11           HB1      LEU  11  -3.728  -3.086   6.857
   65    HG   LEU  11           HG       LEU  11  -5.632  -0.823   7.475
   66   HD11  LEU  11          HD11      LEU  11  -6.934  -2.526   8.651
   67   HD12  LEU  11          HD12      LEU  11  -5.822  -3.770   8.079
   68   HD13  LEU  11          HD13      LEU  11  -6.819  -2.881   6.927
   69   HD21  LEU  11          HD21      LEU  11  -5.119  -1.353   9.808
   70   HD22  LEU  11          HD22      LEU  11  -3.672  -0.851   8.933
   71   HD23  LEU  11          HD23      LEU  11  -3.949  -2.560   9.277
   72    H    SER  12           HN       SER  12  -0.898  -2.379   6.404
   73    HA   SER  12           HA       SER  12   0.121  -2.220   3.818
   74    HB2  SER  12           HB2      SER  12   1.480  -4.175   4.717
   75    HB3  SER  12           HB1      SER  12   1.556  -2.666   5.641
   76    HG   SER  12           HG       SER  12   1.196  -4.552   6.928
   77    H    LYS  13           HN       LYS  13  -1.351  -4.893   5.469
   78    HA   LYS  13           HA       LYS  13  -1.602  -6.608   3.287
   79    HB2  LYS  13           HB2      LYS  13  -3.103  -7.973   4.623
   80    HB3  LYS  13           HB1      LYS  13  -1.709  -7.483   5.552
   81    HG2  LYS  13           HG2      LYS  13  -4.406  -6.124   5.773
   82    HG3  LYS  13           HG1      LYS  13  -3.957  -7.509   6.754
   83    HD2  LYS  13           HD2      LYS  13  -2.542  -4.809   6.752
   84    HD3  LYS  13           HD1      LYS  13  -3.684  -5.373   7.942
   85    HE2  LYS  13           HE2      LYS  13  -1.064  -6.763   7.360
   86    HE3  LYS  13           HE1      LYS  13  -1.314  -5.613   8.661
   87    HZ1  LYS  13           HZ1      LYS  13  -2.763  -8.204   8.375
   88    HZ2  LYS  13           HZ2      LYS  13  -2.973  -7.090   9.615
   89    HZ3  LYS  13           HZ3      LYS  13  -1.503  -7.878   9.445
   90    H    GLY  14           HN       GLY  14  -3.329  -3.779   3.770
   91    HA2  GLY  14           HA2      GLY  14  -5.849  -4.643   2.674
   92    HA3  GLY  14           HA1      GLY  14  -5.332  -2.982   2.951
   93    H    CYS  15           HN       CYS  15  -2.841  -3.474   1.491
   94    HA   CYS  15           HA       CYS  15  -3.771  -2.690  -1.102
   95    HB2  CYS  15           HB2      CYS  15  -1.004  -3.244  -0.073
   96    HB3  CYS  15           HB1      CYS  15  -1.387  -2.471  -1.608
   97    H    CYS  16           HN       CYS  16  -3.499  -3.783  -3.028
   98    HA   CYS  16           HA       CYS  16  -3.589  -6.577  -3.000
   99    HB2  CYS  16           HB2      CYS  16  -2.950  -4.699  -5.263
  100    HB3  CYS  16           HB1      CYS  16  -3.350  -6.402  -5.468
  101    H    THR  17           HN       THR  17  -0.797  -4.344  -3.436
  102    HA   THR  17           HA       THR  17   1.004  -6.495  -3.973
  103    HB   THR  17           HB       THR  17   2.656  -4.614  -3.589
  104    HG1  THR  17           HG1      THR  17   1.757  -2.550  -3.504
  105   HG21  THR  17          HG21      THR  17   0.477  -4.246  -5.642
  106   HG22  THR  17          HG22      THR  17   1.922  -5.254  -5.829
  107   HG23  THR  17          HG23      THR  17   2.073  -3.503  -5.690
  108    H    LYS  18           HN       LYS  18  -0.590  -5.756  -1.158
  109    HA   LYS  18           HA       LYS  18  -0.215  -5.576   1.026
  110    HB2  LYS  18           HB2      LYS  18   1.815  -7.653   0.247
  111    HB3  LYS  18           HB1      LYS  18   1.493  -7.233   1.924
  112    HG2  LYS  18           HG2      LYS  18  -0.834  -7.898   1.662
  113    HG3  LYS  18           HG1      LYS  18  -0.535  -8.283  -0.036
  114    HD2  LYS  18           HD2      LYS  18   1.002  -9.987   0.552
  115    HD3  LYS  18           HD1      LYS  18   0.942  -9.495   2.249
  116    HE2  LYS  18           HE2      LYS  18  -0.377 -11.551   1.800
  117    HE3  LYS  18           HE1      LYS  18  -1.358 -10.231   2.428
  118    HZ1  LYS  18           HZ1      LYS  18  -2.127  -9.792   0.183
  119    HZ2  LYS  18           HZ2      LYS  18  -2.439 -11.377   0.605
  120    HZ3  LYS  18           HZ3      LYS  18  -1.163 -11.036  -0.429
  121    H    ASN  19           HN       ASN  19   1.254  -3.741  -0.694
  122    HA   ASN  19           HA       ASN  19   3.379  -3.025   1.169
  123    HB2  ASN  19           HB2      ASN  19   4.332  -3.740  -0.970
  124    HB3  ASN  19           HB1      ASN  19   3.310  -2.589  -1.820
  125   HD21  ASN  19          HD21      ASN  19   5.219  -1.637  -2.707
  126   HD22  ASN  19          HD22      ASN  19   6.176  -0.597  -1.744
  127    H    CYS  20           HN       CYS  20   2.304  -1.632   2.367
  128    HA   CYS  20           HA       CYS  20   1.064   0.695   1.079
  129    HB2  CYS  20           HB2      CYS  20  -0.433  -0.555   2.625
  130    HB3  CYS  20           HB1      CYS  20   0.794  -0.411   3.882
  131    H    GLY  21           HN       GLY  21   2.577   2.232   0.932
  132    HA2  GLY  21           HA2      GLY  21   4.916   2.113   2.600
  133    HA3  GLY  21           HA1      GLY  21   4.586   3.276   1.322
  134    H    TRP  22           HN       TRP  22   5.729   4.332   3.451
  135    HA   TRP  22           HA       TRP  22   3.779   5.189   5.321
  136    HB2  TRP  22           HB2      TRP  22   5.638   6.490   6.267
  137    HB3  TRP  22           HB1      TRP  22   5.975   4.786   6.292
  138    HD1  TRP  22           HD1      TRP  22   7.511   4.374   3.540
  139    HE1  TRP  22           HE1      TRP  22   9.717   5.588   3.094
  140    HE3  TRP  22           HE3      TRP  22   7.037   8.086   6.935
  141    HZ2  TRP  22           HZ2      TRP  22  11.120   7.831   4.089
  142    HZ3  TRP  22           HZ3      TRP  22   8.876   9.757   7.168
  143    HH2  TRP  22           HH2      TRP  22  10.873   9.609   5.762
  144    H    ASN  23           HN       ASN  23   4.329   5.914   2.298
  145    HA   ASN  23           HA       ASN  23   3.829   8.769   2.342
  146    HB2  ASN  23           HB2      ASN  23   3.749   8.575  -0.084
  147    HB3  ASN  23           HB1      ASN  23   5.160   7.709   0.502
  148   HD21  ASN  23          HD21      ASN  23   3.806   7.385  -2.007
  149   HD22  ASN  23          HD22      ASN  23   3.272   5.734  -2.077
  150    H    PHE  24           HN       PHE  24   2.140   6.032   2.949
  151    HA   PHE  24           HA       PHE  24   0.023   5.590   3.435
  152    HB2  PHE  24           HB2      PHE  24  -0.473   8.465   2.672
  153    HB3  PHE  24           HB1      PHE  24  -1.752   7.385   3.202
  154    HD1  PHE  24           HD1      PHE  24   1.363   9.085   4.243
  155    HD2  PHE  24           HD2      PHE  24  -2.059   6.889   5.497
  156    HE1  PHE  24           HE1      PHE  24   1.852   9.667   6.580
  157    HE2  PHE  24           HE2      PHE  24  -1.579   7.461   7.835
  158    HZ   PHE  24           HZ       PHE  24   0.378   8.851   8.387
  159    H    LYS  25           HN       LYS  25   1.207   5.298   0.702
  160    HA   LYS  25           HA       LYS  25  -1.353   4.792  -0.638
  161    HB2  LYS  25           HB2      LYS  25   1.237   5.644  -1.890
  162    HB3  LYS  25           HB1      LYS  25  -0.175   5.122  -2.793
  163    HG2  LYS  25           HG2      LYS  25  -1.414   7.053  -1.909
  164    HG3  LYS  25           HG1      LYS  25   0.042   7.567  -1.045
  165    HD2  LYS  25           HD2      LYS  25   1.242   7.723  -3.157
  166    HD3  LYS  25           HD1      LYS  25  -0.207   7.227  -4.033
  167    HE2  LYS  25           HE2      LYS  25  -1.365   9.225  -3.184
  168    HE3  LYS  25           HE1      LYS  25   0.119   9.716  -2.365
  169    HZ1  LYS  25           HZ1      LYS  25  -0.118  10.872  -4.417
  170    HZ2  LYS  25           HZ2      LYS  25  -0.279   9.446  -5.292
  171    HZ3  LYS  25           HZ3      LYS  25   1.199   9.823  -4.557
  172    H    CYS  26           HN       CYS  26  -1.444   2.922  -1.851
  173    HA   CYS  26           HA       CYS  26   0.286   0.800  -1.070
  174    HB2  CYS  26           HB2      CYS  26  -1.871   1.045  -3.154
  175    HB3  CYS  26           HB1      CYS  26  -1.070  -0.494  -2.776
  176    H    ASN  27           HN       ASN  27   2.138   0.328  -1.994
  177    HA   ASN  27           HA       ASN  27   2.866   1.832  -4.419
  178    HB2  ASN  27           HB2      ASN  27   4.611   0.876  -2.125
  179    HB3  ASN  27           HB1      ASN  27   5.226   1.669  -3.565
  180   HD21  ASN  27          HD21      ASN  27   5.407   2.483  -0.773
  181   HD22  ASN  27          HD22      ASN  27   4.659   4.035  -0.668
  182    HA   HYP  28           HA       HYP  28   3.898  -1.828  -6.817
  183    HB2  HYP  28           HB1      HYP  28   5.777  -1.387  -8.140
  184    HB3  HYP  28           HB2      HYP  28   6.729  -0.820  -6.761
  185    HG   HYP  28           HG       HYP  28   6.112   1.174  -7.896
  186   HD22  HYP  28          HD11      HYP  28   3.926   1.760  -6.384
  187   HD23  HYP  28          HD12      HYP  28   5.522   1.570  -5.628
  188    HD1  HYP  28           HD2      HYP  28   4.001   1.512  -8.488
  189    HA   HYP  29           HA       HYP  29   5.039  -4.672  -3.710
  190    HB2  HYP  29           HB1      HYP  29   4.048  -6.286  -4.995
  191    HB3  HYP  29           HB2      HYP  29   5.719  -6.802  -5.253
  192    HG   HYP  29           HG       HYP  29   5.550  -6.220  -7.457
  193   HD22  HYP  29          HD11      HYP  29   4.488  -3.635  -7.593
  194   HD23  HYP  29          HD12      HYP  29   6.205  -3.981  -7.315
  195    HD1  HYP  29           HD2      HYP  29   3.225  -4.907  -7.475
  196    H    ASN  30           HN       ASN  30   6.886  -4.281  -2.596
  197    HA   ASN  30           HA       ASN  30   9.436  -4.500  -3.997
  198    HB2  ASN  30           HB2      ASN  30  10.533  -3.631  -1.977
  199    HB3  ASN  30           HB1      ASN  30   9.192  -2.586  -2.408
  200   HD21  ASN  30          HD21      ASN  30   7.489  -2.382  -0.993
  201   HD22  ASN  30          HD22      ASN  30   7.479  -3.074   0.573
  202    H    GLN  31           HN       GLN  31   7.341  -6.273  -2.067
  203    HA   GLN  31           HA       GLN  31   9.165  -8.533  -2.027
  204    HB2  GLN  31           HB2      GLN  31   7.529  -7.507   0.303
  205    HB3  GLN  31           HB1      GLN  31   8.184  -9.135   0.237
  206    HG2  GLN  31           HG2      GLN  31  10.423  -8.295   0.246
  207    HG3  GLN  31           HG1      GLN  31   9.849  -6.637   0.086
  208   HE21  GLN  31          HE21      GLN  31   9.015  -5.616   1.844
  209   HE22  GLN  31          HE22      GLN  31   9.195  -6.205   3.460
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1 -11.766  -4.188  -4.129
    2    H2   GLY   1           HT2      GLY   1 -12.359  -5.560  -4.897
    3    H3   GLY   1           HT3      GLY   1 -10.711  -5.175  -4.976
    4    HA2  GLY   1           HA1      GLY   1 -12.177  -5.866  -2.505
    5    HA3  GLY   1           HA2      GLY   1 -11.101  -6.948  -3.378
    6    H    CYS   2           HN       CYS   2  -8.859  -6.483  -3.392
    7    HA   CYS   2           HA       CYS   2  -7.850  -5.159  -1.095
    8    HB2  CYS   2           HB2      CYS   2  -5.628  -5.639  -2.173
    9    HB3  CYS   2           HB1      CYS   2  -6.654  -7.056  -1.982
   10    H    ILE   3           HN       ILE   3  -6.397  -3.296  -1.151
   11    HA   ILE   3           HA       ILE   3  -7.536  -1.264  -2.793
   12    HB   ILE   3           HB       ILE   3  -5.103  -0.982  -1.002
   13   HG12  ILE   3          HG12      ILE   3  -8.019  -0.531  -0.339
   14   HG13  ILE   3          HG11      ILE   3  -7.075  -1.913   0.203
   15   HG21  ILE   3          HG21      ILE   3  -5.451   0.859  -2.595
   16   HG22  ILE   3          HG22      ILE   3  -5.773   1.388  -0.944
   17   HG23  ILE   3          HG23      ILE   3  -7.114   1.039  -2.034
   18   HD11  ILE   3          HD11      ILE   3  -6.535   0.962   0.880
   19   HD12  ILE   3          HD12      ILE   3  -5.612  -0.429   1.451
   20   HD13  ILE   3          HD13      ILE   3  -7.299  -0.226   1.935
   21    H    ALA   4           HN       ALA   4  -6.914  -0.623  -4.672
   22    HA   ALA   4           HA       ALA   4  -4.835  -1.831  -6.146
   23    HB1  ALA   4           HB1      ALA   4  -5.418  -0.187  -7.880
   24    HB2  ALA   4           HB2      ALA   4  -6.407   0.687  -6.711
   25    HB3  ALA   4           HB3      ALA   4  -6.856  -0.947  -7.200
   26    H    THR   5           HN       THR   5  -2.860  -0.894  -6.896
   27    HA   THR   5           HA       THR   5  -1.747   0.648  -4.818
   28    HB   THR   5           HB       THR   5   0.385   0.317  -5.968
   29    HG1  THR   5           HG1      THR   5  -0.503   0.064  -8.125
   30   HG21  THR   5          HG21      THR   5   0.466  -2.100  -5.567
   31   HG22  THR   5          HG22      THR   5  -1.297  -2.125  -5.487
   32   HG23  THR   5          HG23      THR   5  -0.368  -1.219  -4.292
   33    H    GLY   6           HN       GLY   6  -0.917   2.604  -4.845
   34    HA2  GLY   6           HA2      GLY   6  -0.448   4.699  -5.912
   35    HA3  GLY   6           HA1      GLY   6  -1.660   4.301  -7.131
   36    H    SER   7           HN       SER   7  -3.340   3.163  -4.871
   37    HA   SER   7           HA       SER   7  -4.634   5.664  -4.210
   38    HB2  SER   7           HB2      SER   7  -5.514   2.803  -3.823
   39    HB3  SER   7           HB1      SER   7  -6.497   4.234  -3.502
   40    HG   SER   7           HG       SER   7  -5.299   3.906  -6.009
   41    H    PHE   8           HN       PHE   8  -5.529   5.894  -2.026
   42    HA   PHE   8           HA       PHE   8  -3.488   5.829  -0.067
   43    HB2  PHE   8           HB2      PHE   8  -5.091   7.643  -0.264
   44    HB3  PHE   8           HB1      PHE   8  -6.420   6.542   0.025
   45    HD1  PHE   8           HD1      PHE   8  -3.646   8.386   1.540
   46    HD2  PHE   8           HD2      PHE   8  -6.975   5.839   2.256
   47    HE1  PHE   8           HE1      PHE   8  -3.576   8.963   3.922
   48    HE2  PHE   8           HE2      PHE   8  -6.905   6.404   4.638
   49    HZ   PHE   8           HZ       PHE   8  -5.218   7.966   5.479
   50    H    CYS   9           HN       CYS   9  -3.178   4.450   1.575
   51    HA   CYS   9           HA       CYS   9  -5.108   2.213   1.929
   52    HB2  CYS   9           HB2      CYS   9  -3.346   0.759   2.354
   53    HB3  CYS   9           HB1      CYS   9  -2.621   1.813   1.142
   54    H    THR  10           HN       THR  10  -5.199   1.378   4.185
   55    HA   THR  10           HA       THR  10  -4.276   3.344   6.102
   56    HB   THR  10           HB       THR  10  -5.997   2.211   7.651
   57    HG1  THR  10           HG1      THR  10  -7.168   0.699   6.815
   58   HG21  THR  10          HG21      THR  10  -7.002   3.710   5.231
   59   HG22  THR  10          HG22      THR  10  -6.294   4.443   6.658
   60   HG23  THR  10          HG23      THR  10  -7.830   3.580   6.785
   61    H    LEU  11           HN       LEU  11  -4.292  -0.022   5.148
   62    HA   LEU  11           HA       LEU  11  -2.038  -0.518   6.937
   63    HB2  LEU  11           HB2      LEU  11  -4.371  -2.388   6.436
   64    HB3  LEU  11           HB1      LEU  11  -2.905  -2.817   7.285
   65    HG   LEU  11           HG       LEU  11  -4.926  -0.782   8.241
   66   HD11  LEU  11          HD11      LEU  11  -5.808  -3.063   8.283
   67   HD12  LEU  11          HD12      LEU  11  -5.504  -2.465   9.912
   68   HD13  LEU  11          HD13      LEU  11  -4.380  -3.601   9.168
   69   HD21  LEU  11          HD21      LEU  11  -2.497  -1.964   9.595
   70   HD22  LEU  11          HD22      LEU  11  -3.677  -0.895  10.348
   71   HD23  LEU  11          HD23      LEU  11  -2.668  -0.299   9.033
   72    H    SER  12           HN       SER  12  -0.422  -1.711   5.950
   73    HA   SER  12           HA       SER  12  -0.079  -1.737   3.220
   74    HB2  SER  12           HB2      SER  12   1.692  -3.504   3.804
   75    HB3  SER  12           HB1      SER  12   1.834  -1.920   4.567
   76    HG   SER  12           HG       SER  12   1.418  -2.745   6.417
   77    H    LYS  13           HN       LYS  13  -1.092  -4.343   5.252
   78    HA   LYS  13           HA       LYS  13  -1.200  -6.298   3.253
   79    HB2  LYS  13           HB2      LYS  13  -2.362  -7.744   4.870
   80    HB3  LYS  13           HB1      LYS  13  -0.879  -7.081   5.490
   81    HG2  LYS  13           HG2      LYS  13  -3.608  -5.976   6.169
   82    HG3  LYS  13           HG1      LYS  13  -2.848  -7.265   7.076
   83    HD2  LYS  13           HD2      LYS  13  -1.769  -4.404   6.833
   84    HD3  LYS  13           HD1      LYS  13  -2.659  -5.075   8.162
   85    HE2  LYS  13           HE2      LYS  13  -0.380  -5.075   8.821
   86    HE3  LYS  13           HE1      LYS  13  -0.823  -6.741   8.516
   87    HZ1  LYS  13           HZ1      LYS  13   0.761  -5.024   6.632
   88    HZ2  LYS  13           HZ2      LYS  13   0.440  -6.675   6.438
   89    HZ3  LYS  13           HZ3      LYS  13   1.370  -6.160   7.685
   90    H    GLY  14           HN       GLY  14  -3.294  -3.762   3.656
   91    HA2  GLY  14           HA2      GLY  14  -5.656  -5.173   2.712
   92    HA3  GLY  14           HA1      GLY  14  -5.497  -3.443   3.019
   93    H    CYS  15           HN       CYS  15  -2.924  -3.596   1.465
   94    HA   CYS  15           HA       CYS  15  -4.002  -2.783  -1.055
   95    HB2  CYS  15           HB2      CYS  15  -1.149  -3.201  -0.176
   96    HB3  CYS  15           HB1      CYS  15  -1.678  -2.331  -1.612
   97    H    CYS  16           HN       CYS  16  -3.569  -3.761  -3.069
   98    HA   CYS  16           HA       CYS  16  -3.712  -6.553  -3.136
   99    HB2  CYS  16           HB2      CYS  16  -2.947  -4.650  -5.350
  100    HB3  CYS  16           HB1      CYS  16  -3.433  -6.329  -5.574
  101    H    THR  17           HN       THR  17  -0.861  -4.412  -3.364
  102    HA   THR  17           HA       THR  17   0.889  -6.572  -4.015
  103    HB   THR  17           HB       THR  17   2.578  -4.751  -3.478
  104    HG1  THR  17           HG1      THR  17   1.791  -2.754  -3.059
  105   HG21  THR  17          HG21      THR  17   1.939  -5.262  -5.770
  106   HG22  THR  17          HG22      THR  17   1.994  -3.500  -5.558
  107   HG23  THR  17          HG23      THR  17   0.450  -4.338  -5.574
  108    H    LYS  18           HN       LYS  18  -0.711  -5.810  -1.231
  109    HA   LYS  18           HA       LYS  18  -0.453  -6.074   0.996
  110    HB2  LYS  18           HB2      LYS  18   1.739  -7.974   0.120
  111    HB3  LYS  18           HB1      LYS  18   1.174  -7.829   1.775
  112    HG2  LYS  18           HG2      LYS  18  -0.519  -8.654  -0.568
  113    HG3  LYS  18           HG1      LYS  18   0.212  -9.763   0.596
  114    HD2  LYS  18           HD2      LYS  18  -1.073  -8.669   2.398
  115    HD3  LYS  18           HD1      LYS  18  -1.825  -7.614   1.202
  116    HE2  LYS  18           HE2      LYS  18  -2.767  -9.577   0.077
  117    HE3  LYS  18           HE1      LYS  18  -2.039 -10.617   1.301
  118    HZ1  LYS  18           HZ1      LYS  18  -4.033  -8.488   1.862
  119    HZ2  LYS  18           HZ2      LYS  18  -3.413  -9.592   2.968
  120    HZ3  LYS  18           HZ3      LYS  18  -4.390 -10.126   1.716
  121    H    ASN  19           HN       ASN  19   1.156  -4.031  -0.464
  122    HA   ASN  19           HA       ASN  19   2.918  -3.395   1.750
  123    HB2  ASN  19           HB2      ASN  19   4.396  -4.436   0.117
  124    HB3  ASN  19           HB1      ASN  19   3.778  -3.392  -1.156
  125   HD21  ASN  19          HD21      ASN  19   4.595  -1.373  -1.359
  126   HD22  ASN  19          HD22      ASN  19   5.890  -0.743  -0.409
  127    H    CYS  20           HN       CYS  20   2.917  -1.348   2.290
  128    HA   CYS  20           HA       CYS  20   1.912   0.680   0.489
  129    HB2  CYS  20           HB2      CYS  20  -0.085  -0.145   1.832
  130    HB3  CYS  20           HB1      CYS  20   0.812   0.263   3.282
  131    H    GLY  21           HN       GLY  21   3.001   2.598   0.909
  132    HA2  GLY  21           HA2      GLY  21   5.228   2.226   2.763
  133    HA3  GLY  21           HA1      GLY  21   5.122   3.424   1.481
  134    H    TRP  22           HN       TRP  22   5.988   4.690   3.381
  135    HA   TRP  22           HA       TRP  22   4.155   5.405   5.420
  136    HB2  TRP  22           HB2      TRP  22   5.896   7.127   5.905
  137    HB3  TRP  22           HB1      TRP  22   6.483   5.518   6.126
  138    HD1  TRP  22           HD1      TRP  22   7.900   4.698   3.600
  139    HE1  TRP  22           HE1      TRP  22   9.645   6.150   2.398
  140    HE3  TRP  22           HE3      TRP  22   6.662   9.077   5.613
  141    HZ2  TRP  22           HZ2      TRP  22  10.414   8.886   2.345
  142    HZ3  TRP  22           HZ3      TRP  22   7.940  11.165   4.983
  143    HH2  TRP  22           HH2      TRP  22   9.784  11.029   3.374
  144    H    ASN  23           HN       ASN  23   4.264   6.106   2.282
  145    HA   ASN  23           HA       ASN  23   3.401   8.858   2.372
  146    HB2  ASN  23           HB2      ASN  23   3.144   8.597  -0.067
  147    HB3  ASN  23           HB1      ASN  23   4.720   8.020   0.448
  148   HD21  ASN  23          HD21      ASN  23   3.453   7.346  -1.991
  149   HD22  ASN  23          HD22      ASN  23   3.173   5.640  -1.988
  150    H    PHE  24           HN       PHE  24   2.106   5.832   2.927
  151    HA   PHE  24           HA       PHE  24   0.110   4.979   3.329
  152    HB2  PHE  24           HB2      PHE  24  -0.705   7.865   3.384
  153    HB3  PHE  24           HB1      PHE  24  -1.888   6.582   3.608
  154    HD1  PHE  24           HD1      PHE  24   0.933   8.368   5.076
  155    HD2  PHE  24           HD2      PHE  24  -1.829   5.174   5.576
  156    HE1  PHE  24           HE1      PHE  24   1.510   8.243   7.463
  157    HE2  PHE  24           HE2      PHE  24  -1.255   5.042   7.963
  158    HZ   PHE  24           HZ       PHE  24   0.412   6.577   8.910
  159    H    LYS  25           HN       LYS  25   1.072   5.281   0.687
  160    HA   LYS  25           HA       LYS  25  -1.476   4.841  -0.702
  161    HB2  LYS  25           HB2      LYS  25   1.198   5.628  -1.729
  162    HB3  LYS  25           HB1      LYS  25  -0.143   5.220  -2.793
  163    HG2  LYS  25           HG2      LYS  25  -1.333   7.229  -1.902
  164    HG3  LYS  25           HG1      LYS  25   0.101   7.605  -0.937
  165    HD2  LYS  25           HD2      LYS  25   1.442   7.678  -3.020
  166    HD3  LYS  25           HD1      LYS  25  -0.026   7.400  -3.947
  167    HE2  LYS  25           HE2      LYS  25   0.487   9.777  -2.153
  168    HE3  LYS  25           HE1      LYS  25   0.651   9.771  -3.905
  169    HZ1  LYS  25           HZ1      LYS  25  -1.452  10.704  -3.200
  170    HZ2  LYS  25           HZ2      LYS  25  -1.872   9.271  -2.422
  171    HZ3  LYS  25           HZ3      LYS  25  -1.703   9.305  -4.094
  172    H    CYS  26           HN       CYS  26  -1.599   2.895  -1.758
  173    HA   CYS  26           HA       CYS  26   0.057   0.813  -0.835
  174    HB2  CYS  26           HB2      CYS  26  -1.997   0.963  -3.017
  175    HB3  CYS  26           HB1      CYS  26  -1.238  -0.557  -2.510
  176    H    ASN  27           HN       ASN  27   1.919   0.105  -1.597
  177    HA   ASN  27           HA       ASN  27   2.893   1.271  -4.114
  178    HB2  ASN  27           HB2      ASN  27   4.447   0.757  -1.551
  179    HB3  ASN  27           HB1      ASN  27   5.182   1.245  -3.067
  180   HD21  ASN  27          HD21      ASN  27   5.337   2.533  -0.523
  181   HD22  ASN  27          HD22      ASN  27   4.663   4.118  -0.690
  182    HA   HYP  28           HA       HYP  28   3.813  -2.952  -5.251
  183    HB2  HYP  28           HB1      HYP  28   4.987  -2.753  -7.229
  184    HB3  HYP  28           HB2      HYP  28   6.370  -2.030  -6.404
  185    HG   HYP  28           HG       HYP  28   5.501  -0.200  -7.634
  186   HD22  HYP  28          HD11      HYP  28   3.950   0.904  -5.786
  187   HD23  HYP  28          HD12      HYP  28   5.624   0.497  -5.331
  188    HD1  HYP  28           HD2      HYP  28   3.524   0.071  -8.073
  189    HA   HYP  29           HA       HYP  29   6.165  -4.847  -2.082
  190    HB2  HYP  29           HB1      HYP  29   6.464  -7.001  -2.756
  191    HB3  HYP  29           HB2      HYP  29   7.672  -6.524  -3.953
  192    HG   HYP  29           HG       HYP  29   5.787  -7.203  -5.295
  193   HD22  HYP  29          HD11      HYP  29   4.788  -4.840  -5.812
  194   HD23  HYP  29          HD12      HYP  29   6.568  -4.943  -5.882
  195    HD1  HYP  29           HD2      HYP  29   4.292  -5.619  -3.602
  196    H    ASN  30           HN       ASN  30   7.869  -4.231  -0.991
  197    HA   ASN  30           HA       ASN  30  10.272  -3.382  -2.460
  198    HB2  ASN  30           HB2      ASN  30   9.049  -2.092  -0.016
  199    HB3  ASN  30           HB1      ASN  30  10.669  -1.739  -0.583
  200   HD21  ASN  30          HD21      ASN  30   9.867  -1.864  -3.430
  201   HD22  ASN  30          HD22      ASN  30   8.983  -0.427  -3.717
  202    H    GLN  31           HN       GLN  31   8.973  -5.142   0.235
  203    HA   GLN  31           HA       GLN  31  11.689  -5.685   1.142
  204    HB2  GLN  31           HB2      GLN  31   9.063  -6.028   2.632
  205    HB3  GLN  31           HB1      GLN  31  10.617  -6.554   3.242
  206    HG2  GLN  31           HG2      GLN  31  10.146  -4.513   4.332
  207    HG3  GLN  31           HG1      GLN  31  11.366  -4.143   3.123
  208   HE21  GLN  31          HE21      GLN  31   7.933  -4.587   2.501
  209   HE22  GLN  31          HE22      GLN  31   7.603  -2.976   2.019
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1 -12.184  -5.252  -2.566
    2    H2   GLY   1           HT2      GLY   1 -12.246  -6.350  -1.302
    3    H3   GLY   1           HT3      GLY   1 -12.986  -6.736  -2.779
    4    HA2  GLY   1           HA1      GLY   1 -10.922  -7.914  -2.535
    5    HA3  GLY   1           HA2      GLY   1 -10.807  -6.726  -3.827
    6    H    CYS   2           HN       CYS   2  -8.980  -5.577  -3.777
    7    HA   CYS   2           HA       CYS   2  -7.803  -4.968  -1.178
    8    HB2  CYS   2           HB2      CYS   2  -5.569  -5.313  -2.271
    9    HB3  CYS   2           HB1      CYS   2  -6.504  -6.783  -2.015
   10    H    ILE   3           HN       ILE   3  -6.301  -3.160  -1.317
   11    HA   ILE   3           HA       ILE   3  -7.410  -1.046  -2.900
   12    HB   ILE   3           HB       ILE   3  -4.935  -0.969  -1.150
   13   HG12  ILE   3          HG12      ILE   3  -7.765  -0.295  -0.431
   14   HG13  ILE   3          HG11      ILE   3  -6.992  -1.811   0.018
   15   HG21  ILE   3          HG21      ILE   3  -6.831   1.193  -2.097
   16   HG22  ILE   3          HG22      ILE   3  -5.185   0.924  -2.674
   17   HG23  ILE   3          HG23      ILE   3  -5.461   1.432  -1.009
   18   HD11  ILE   3          HD11      ILE   3  -6.111   0.939   0.875
   19   HD12  ILE   3          HD12      ILE   3  -5.337  -0.581   1.326
   20   HD13  ILE   3          HD13      ILE   3  -6.978  -0.231   1.871
   21    H    ALA   4           HN       ALA   4  -6.768  -0.521  -4.819
   22    HA   ALA   4           HA       ALA   4  -4.660  -1.855  -6.185
   23    HB1  ALA   4           HB1      ALA   4  -6.663  -1.064  -7.362
   24    HB2  ALA   4           HB2      ALA   4  -5.206  -0.357  -8.059
   25    HB3  ALA   4           HB3      ALA   4  -6.226   0.604  -6.990
   26    H    THR   5           HN       THR   5  -2.611  -1.163  -6.625
   27    HA   THR   5           HA       THR   5  -1.544   0.601  -4.770
   28    HB   THR   5           HB       THR   5   0.573   0.316  -5.929
   29    HG1  THR   5           HG1      THR   5  -0.738  -0.163  -8.045
   30   HG21  THR   5          HG21      THR   5  -1.028  -2.157  -5.342
   31   HG22  THR   5          HG22      THR   5  -0.082  -1.194  -4.203
   32   HG23  THR   5          HG23      THR   5   0.727  -2.101  -5.475
   33    H    GLY   6           HN       GLY   6  -0.846   2.558  -4.770
   34    HA2  GLY   6           HA2      GLY   6  -0.402   4.675  -5.837
   35    HA3  GLY   6           HA1      GLY   6  -1.606   4.255  -7.057
   36    H    SER   7           HN       SER   7  -3.288   3.091  -4.844
   37    HA   SER   7           HA       SER   7  -4.672   5.547  -4.201
   38    HB2  SER   7           HB2      SER   7  -5.502   2.672  -3.786
   39    HB3  SER   7           HB1      SER   7  -6.550   4.088  -3.696
   40    HG   SER   7           HG       SER   7  -5.569   2.726  -5.849
   41    H    PHE   8           HN       PHE   8  -5.706   5.668  -2.015
   42    HA   PHE   8           HA       PHE   8  -3.689   5.917  -0.064
   43    HB2  PHE   8           HB2      PHE   8  -5.491   7.500  -0.249
   44    HB3  PHE   8           HB1      PHE   8  -6.684   6.251   0.063
   45    HD1  PHE   8           HD1      PHE   8  -7.381   5.812   2.264
   46    HD2  PHE   8           HD2      PHE   8  -3.883   8.133   1.579
   47    HE1  PHE   8           HE1      PHE   8  -7.319   6.413   4.647
   48    HE2  PHE   8           HE2      PHE   8  -3.814   8.736   3.958
   49    HZ   PHE   8           HZ       PHE   8  -5.521   7.885   5.495
   50    H    CYS   9           HN       CYS   9  -3.071   4.647   1.541
   51    HA   CYS   9           HA       CYS   9  -4.864   2.538   2.501
   52    HB2  CYS   9           HB2      CYS   9  -3.068   0.932   2.550
   53    HB3  CYS   9           HB1      CYS   9  -3.271   1.532   0.906
   54    H    THR  10           HN       THR  10  -4.389   1.866   4.620
   55    HA   THR  10           HA       THR  10  -2.440   3.478   6.090
   56    HB   THR  10           HB       THR  10  -3.986   3.149   8.086
   57    HG1  THR  10           HG1      THR  10  -5.946   2.743   6.098
   58   HG21  THR  10          HG21      THR  10  -3.808   5.312   6.949
   59   HG22  THR  10          HG22      THR  10  -5.474   5.016   7.450
   60   HG23  THR  10          HG23      THR  10  -5.007   4.800   5.764
   61    H    LEU  11           HN       LEU  11  -3.454   0.383   5.139
   62    HA   LEU  11           HA       LEU  11  -1.733  -0.904   7.110
   63    HB2  LEU  11           HB2      LEU  11  -4.496  -1.817   6.298
   64    HB3  LEU  11           HB1      LEU  11  -3.357  -2.803   7.185
   65    HG   LEU  11           HG       LEU  11  -4.520  -0.206   8.193
   66   HD11  LEU  11          HD11      LEU  11  -6.232  -1.927   8.005
   67   HD12  LEU  11          HD12      LEU  11  -5.844  -1.607   9.695
   68   HD13  LEU  11          HD13      LEU  11  -5.217  -3.053   8.904
   69   HD21  LEU  11          HD21      LEU  11  -2.330  -0.690   9.146
   70   HD22  LEU  11          HD22      LEU  11  -2.852  -2.321   9.555
   71   HD23  LEU  11          HD23      LEU  11  -3.589  -0.936  10.356
   72    H    SER  12           HN       SER  12  -0.497  -2.506   6.309
   73    HA   SER  12           HA       SER  12   0.223  -2.496   3.645
   74    HB2  SER  12           HB2      SER  12   1.502  -4.583   4.362
   75    HB3  SER  12           HB1      SER  12   1.820  -3.087   5.250
   76    HG   SER  12           HG       SER  12   1.109  -3.966   6.966
   77    H    LYS  13           HN       LYS  13  -1.459  -5.055   5.378
   78    HA   LYS  13           HA       LYS  13  -1.738  -6.694   3.133
   79    HB2  LYS  13           HB2      LYS  13  -3.136  -8.145   4.438
   80    HB3  LYS  13           HB1      LYS  13  -1.778  -7.601   5.397
   81    HG2  LYS  13           HG2      LYS  13  -4.593  -6.524   5.608
   82    HG3  LYS  13           HG1      LYS  13  -3.901  -7.755   6.653
   83    HD2  LYS  13           HD2      LYS  13  -2.179  -6.096   7.363
   84    HD3  LYS  13           HD1      LYS  13  -3.011  -4.884   6.385
   85    HE2  LYS  13           HE2      LYS  13  -3.711  -4.653   8.667
   86    HE3  LYS  13           HE1      LYS  13  -5.051  -5.276   7.711
   87    HZ1  LYS  13           HZ1      LYS  13  -4.486  -7.527   8.544
   88    HZ2  LYS  13           HZ2      LYS  13  -4.895  -6.443   9.769
   89    HZ3  LYS  13           HZ3      LYS  13  -3.288  -6.828   9.514
   90    H    GLY  14           HN       GLY  14  -3.416  -3.888   3.732
   91    HA2  GLY  14           HA2      GLY  14  -5.945  -4.687   2.603
   92    HA3  GLY  14           HA1      GLY  14  -5.413  -3.036   2.922
   93    H    CYS  15           HN       CYS  15  -2.893  -3.574   1.486
   94    HA   CYS  15           HA       CYS  15  -3.750  -2.690  -1.102
   95    HB2  CYS  15           HB2      CYS  15  -1.016  -3.353  -0.030
   96    HB3  CYS  15           HB1      CYS  15  -1.364  -2.470  -1.515
   97    H    CYS  16           HN       CYS  16  -3.402  -3.757  -3.074
   98    HA   CYS  16           HA       CYS  16  -3.704  -6.534  -3.104
   99    HB2  CYS  16           HB2      CYS  16  -2.708  -4.734  -5.313
  100    HB3  CYS  16           HB1      CYS  16  -3.318  -6.372  -5.522
  101    H    THR  17           HN       THR  17  -0.749  -4.535  -3.571
  102    HA   THR  17           HA       THR  17   0.964  -6.756  -4.013
  103    HB   THR  17           HB       THR  17   2.672  -4.958  -3.545
  104    HG1  THR  17           HG1      THR  17   1.873  -2.893  -3.248
  105   HG21  THR  17          HG21      THR  17   1.930  -5.467  -5.837
  106   HG22  THR  17          HG22      THR  17   2.141  -3.726  -5.634
  107   HG23  THR  17          HG23      THR  17   0.527  -4.427  -5.608
  108    H    LYS  18           HN       LYS  18  -0.607  -5.621  -1.315
  109    HA   LYS  18           HA       LYS  18  -0.467  -5.816   0.906
  110    HB2  LYS  18           HB2      LYS  18   1.776  -7.786   0.359
  111    HB3  LYS  18           HB1      LYS  18   0.958  -7.575   1.901
  112    HG2  LYS  18           HG2      LYS  18  -0.376  -8.478  -0.646
  113    HG3  LYS  18           HG1      LYS  18   0.180  -9.548   0.642
  114    HD2  LYS  18           HD2      LYS  18  -1.376  -8.564   2.193
  115    HD3  LYS  18           HD1      LYS  18  -1.853  -7.345   1.006
  116    HE2  LYS  18           HE2      LYS  18  -2.770  -9.064  -0.424
  117    HE3  LYS  18           HE1      LYS  18  -2.232 -10.318   0.695
  118    HZ1  LYS  18           HZ1      LYS  18  -4.583  -9.744   0.886
  119    HZ2  LYS  18           HZ2      LYS  18  -4.182  -8.186   1.403
  120    HZ3  LYS  18           HZ3      LYS  18  -3.743  -9.530   2.322
  121    H    ASN  19           HN       ASN  19   1.453  -4.098  -0.793
  122    HA   ASN  19           HA       ASN  19   3.208  -3.342   1.424
  123    HB2  ASN  19           HB2      ASN  19   4.499  -3.970  -0.570
  124    HB3  ASN  19           HB1      ASN  19   3.591  -2.809  -1.530
  125   HD21  ASN  19          HD21      ASN  19   5.447  -1.647  -2.091
  126   HD22  ASN  19          HD22      ASN  19   6.271  -0.657  -0.948
  127    H    CYS  20           HN       CYS  20   2.400  -1.789   2.502
  128    HA   CYS  20           HA       CYS  20   0.980   0.365   1.092
  129    HB2  CYS  20           HB2      CYS  20  -0.463  -0.742   2.722
  130    HB3  CYS  20           HB1      CYS  20   0.770  -0.548   3.968
  131    H    GLY  21           HN       GLY  21   1.930   2.299   1.138
  132    HA2  GLY  21           HA2      GLY  21   4.522   2.420   2.477
  133    HA3  GLY  21           HA1      GLY  21   3.918   3.488   1.224
  134    H    TRP  22           HN       TRP  22   5.199   4.311   3.478
  135    HA   TRP  22           HA       TRP  22   3.328   5.349   5.361
  136    HB2  TRP  22           HB2      TRP  22   5.436   6.734   5.965
  137    HB3  TRP  22           HB1      TRP  22   5.438   5.002   6.292
  138    HD1  TRP  22           HD1      TRP  22   6.522   7.248   3.288
  139    HE1  TRP  22           HE1      TRP  22   8.787   6.363   2.424
  140    HE3  TRP  22           HE3      TRP  22   7.114   3.331   6.501
  141    HZ2  TRP  22           HZ2      TRP  22  10.581   4.273   3.057
  142    HZ3  TRP  22           HZ3      TRP  22   9.124   1.935   6.306
  143    HH2  TRP  22           HH2      TRP  22  10.819   2.399   4.614
  144    H    ASN  23           HN       ASN  23   3.851   5.983   2.278
  145    HA   ASN  23           HA       ASN  23   3.415   8.856   2.313
  146    HB2  ASN  23           HB2      ASN  23   3.520   8.675  -0.126
  147    HB3  ASN  23           HB1      ASN  23   4.894   7.836   0.575
  148   HD21  ASN  23          HD21      ASN  23   3.712   7.522  -2.030
  149   HD22  ASN  23          HD22      ASN  23   3.234   5.876  -2.192
  150    H    PHE  24           HN       PHE  24   1.725   6.225   2.984
  151    HA   PHE  24           HA       PHE  24  -0.368   5.645   3.202
  152    HB2  PHE  24           HB2      PHE  24  -0.825   8.576   2.691
  153    HB3  PHE  24           HB1      PHE  24  -2.158   7.465   2.985
  154    HD1  PHE  24           HD1      PHE  24   0.899   8.914   4.466
  155    HD2  PHE  24           HD2      PHE  24  -2.634   6.653   5.142
  156    HE1  PHE  24           HE1      PHE  24   1.253   9.087   6.889
  157    HE2  PHE  24           HE2      PHE  24  -2.288   6.830   7.576
  158    HZ   PHE  24           HZ       PHE  24  -0.339   8.048   8.449
  159    H    LYS  25           HN       LYS  25   0.938   5.431   0.641
  160    HA   LYS  25           HA       LYS  25  -1.499   4.857  -0.879
  161    HB2  LYS  25           HB2      LYS  25   1.196   5.707  -1.848
  162    HB3  LYS  25           HB1      LYS  25  -0.019   5.010  -2.911
  163    HG2  LYS  25           HG2      LYS  25  -1.493   6.912  -2.383
  164    HG3  LYS  25           HG1      LYS  25  -0.200   7.603  -1.392
  165    HD2  LYS  25           HD2      LYS  25   1.254   7.747  -3.303
  166    HD3  LYS  25           HD1      LYS  25   0.069   6.920  -4.314
  167    HE2  LYS  25           HE2      LYS  25  -0.289   9.585  -2.982
  168    HE3  LYS  25           HE1      LYS  25   0.063   9.338  -4.695
  169    HZ1  LYS  25           HZ1      LYS  25  -2.398   8.520  -3.239
  170    HZ2  LYS  25           HZ2      LYS  25  -2.069   8.075  -4.826
  171    HZ3  LYS  25           HZ3      LYS  25  -2.271   9.700  -4.433
  172    H    CYS  26           HN       CYS  26  -1.547   2.870  -1.809
  173    HA   CYS  26           HA       CYS  26   0.231   0.873  -0.820
  174    HB2  CYS  26           HB2      CYS  26  -1.865   0.828  -2.980
  175    HB3  CYS  26           HB1      CYS  26  -0.995  -0.613  -2.433
  176    H    ASN  27           HN       ASN  27   1.994  -0.002  -1.809
  177    HA   ASN  27           HA       ASN  27   2.729   1.155  -4.409
  178    HB2  ASN  27           HB2      ASN  27   4.566   0.790  -2.030
  179    HB3  ASN  27           HB1      ASN  27   5.083   1.329  -3.623
  180   HD21  ASN  27          HD21      ASN  27   3.822   2.222  -0.617
  181   HD22  ASN  27          HD22      ASN  27   3.614   3.905  -0.884
  182    HA   HYP  28           HA       HYP  28   3.998  -3.148  -4.952
  183    HB2  HYP  28           HB1      HYP  28   4.770  -3.290  -7.158
  184    HB3  HYP  28           HB2      HYP  28   5.934  -1.974  -6.924
  185    HG   HYP  28           HG       HYP  28   4.161  -0.995  -8.198
  186   HD22  HYP  28          HD11      HYP  28   2.880   0.152  -6.130
  187   HD23  HYP  28          HD12      HYP  28   4.613   0.484  -6.359
  188    HD1  HYP  28           HD2      HYP  28   2.235  -1.556  -8.030
  189    HA   HYP  29           HA       HYP  29   7.694  -3.498  -2.570
  190    HB2  HYP  29           HB1      HYP  29   7.259  -5.669  -1.963
  191    HB3  HYP  29           HB2      HYP  29   8.284  -6.161  -3.315
  192    HG   HYP  29           HG       HYP  29   6.320  -7.073  -4.152
  193   HD22  HYP  29          HD11      HYP  29   4.859  -5.015  -5.071
  194   HD23  HYP  29          HD12      HYP  29   6.512  -5.247  -5.699
  195    HD1  HYP  29           HD2      HYP  29   4.335  -6.030  -3.552
  196    H    ASN  30           HN       ASN  30   8.951  -2.097  -3.774
  197    HA   ASN  30           HA       ASN  30  10.538  -3.287  -5.960
  198    HB2  ASN  30           HB2      ASN  30   9.054  -1.318  -6.520
  199    HB3  ASN  30           HB1      ASN  30  10.079  -0.341  -5.479
  200   HD21  ASN  30          HD21      ASN  30  10.797   0.979  -7.121
  201   HD22  ASN  30          HD22      ASN  30  11.845   0.423  -8.380
  202    H    GLN  31           HN       GLN  31  10.646  -1.717  -2.899
  203    HA   GLN  31           HA       GLN  31  13.462  -1.130  -3.081
  204    HB2  GLN  31           HB2      GLN  31  11.622  -0.978  -0.680
  205    HB3  GLN  31           HB1      GLN  31  13.228  -0.284  -0.801
  206    HG2  GLN  31           HG2      GLN  31  10.818   0.562  -2.409
  207    HG3  GLN  31           HG1      GLN  31  11.495   1.424  -1.034
  208   HE21  GLN  31          HE21      GLN  31  11.076   2.254  -3.807
  209   HE22  GLN  31          HE22      GLN  31  12.616   2.734  -4.405
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1 -12.503  -6.029  -4.826
    2    H2   GLY   1           HT2      GLY   1 -10.945  -5.410  -5.031
    3    H3   GLY   1           HT3      GLY   1 -12.033  -4.624  -4.025
    4    HA2  GLY   1           HA1      GLY   1 -12.048  -6.472  -2.499
    5    HA3  GLY   1           HA2      GLY   1 -10.934  -7.316  -3.568
    6    H    CYS   2           HN       CYS   2  -8.794  -6.599  -3.725
    7    HA   CYS   2           HA       CYS   2  -7.795  -5.383  -1.347
    8    HB2  CYS   2           HB2      CYS   2  -5.571  -5.652  -2.470
    9    HB3  CYS   2           HB1      CYS   2  -6.497  -7.144  -2.390
   10    H    ILE   3           HN       ILE   3  -6.403  -3.470  -1.353
   11    HA   ILE   3           HA       ILE   3  -7.630  -1.333  -2.803
   12    HB   ILE   3           HB       ILE   3  -5.180  -1.249  -0.995
   13   HG12  ILE   3          HG12      ILE   3  -8.068  -0.651  -0.347
   14   HG13  ILE   3          HG11      ILE   3  -7.221  -2.112   0.149
   15   HG21  ILE   3          HG21      ILE   3  -5.352   0.682  -2.466
   16   HG22  ILE   3          HG22      ILE   3  -5.706   1.149  -0.801
   17   HG23  ILE   3          HG23      ILE   3  -7.021   0.946  -1.960
   18   HD11  ILE   3          HD11      ILE   3  -7.374  -0.510   1.975
   19   HD12  ILE   3          HD12      ILE   3  -6.555   0.707   0.992
   20   HD13  ILE   3          HD13      ILE   3  -5.692  -0.746   1.495
   21    H    ALA   4           HN       ALA   4  -7.103  -0.761  -4.723
   22    HA   ALA   4           HA       ALA   4  -5.039  -1.854  -6.256
   23    HB1  ALA   4           HB1      ALA   4  -6.572   0.703  -6.732
   24    HB2  ALA   4           HB2      ALA   4  -7.079  -0.911  -7.230
   25    HB3  ALA   4           HB3      ALA   4  -5.638  -0.181  -7.939
   26    H    THR   5           HN       THR   5  -3.031  -1.115  -6.849
   27    HA   THR   5           HA       THR   5  -1.694   0.267  -4.900
   28    HB   THR   5           HB       THR   5   0.208   0.268  -6.456
   29    HG1  THR   5           HG1      THR   5  -0.803   0.181  -8.486
   30   HG21  THR   5          HG21      THR   5  -0.162  -1.488  -4.862
   31   HG22  THR   5          HG22      THR   5   0.445  -2.176  -6.367
   32   HG23  THR   5          HG23      THR   5  -1.269  -2.303  -5.965
   33    H    GLY   6           HN       GLY   6  -0.849   2.266  -4.712
   34    HA2  GLY   6           HA2      GLY   6  -0.470   4.478  -5.397
   35    HA3  GLY   6           HA1      GLY   6  -1.608   4.235  -6.715
   36    H    SER   7           HN       SER   7  -3.522   2.941  -4.715
   37    HA   SER   7           HA       SER   7  -4.833   5.403  -4.066
   38    HB2  SER   7           HB2      SER   7  -5.624   2.538  -3.475
   39    HB3  SER   7           HB1      SER   7  -6.657   3.945  -3.224
   40    HG   SER   7           HG       SER   7  -5.597   3.017  -5.695
   41    H    PHE   8           HN       PHE   8  -5.728   5.765  -1.889
   42    HA   PHE   8           HA       PHE   8  -3.675   5.958   0.029
   43    HB2  PHE   8           HB2      PHE   8  -5.463   7.601  -0.085
   44    HB3  PHE   8           HB1      PHE   8  -6.666   6.372   0.278
   45    HD1  PHE   8           HD1      PHE   8  -4.000   8.481   1.653
   46    HD2  PHE   8           HD2      PHE   8  -6.996   5.600   2.556
   47    HE1  PHE   8           HE1      PHE   8  -3.784   9.006   4.044
   48    HE2  PHE   8           HE2      PHE   8  -6.785   6.122   4.943
   49    HZ   PHE   8           HZ       PHE   8  -5.176   7.828   5.693
   50    H    CYS   9           HN       CYS   9  -3.034   4.583   1.521
   51    HA   CYS   9           HA       CYS   9  -4.946   2.601   2.531
   52    HB2  CYS   9           HB2      CYS   9  -3.069   0.953   2.550
   53    HB3  CYS   9           HB1      CYS   9  -3.637   1.409   0.943
   54    H    THR  10           HN       THR  10  -4.739   2.098   4.661
   55    HA   THR  10           HA       THR  10  -2.663   3.498   6.190
   56    HB   THR  10           HB       THR  10  -4.235   3.052   8.152
   57    HG1  THR  10           HG1      THR  10  -5.479   1.505   6.593
   58   HG21  THR  10          HG21      THR  10  -5.724   4.924   7.600
   59   HG22  THR  10          HG22      THR  10  -5.257   4.792   5.904
   60   HG23  THR  10          HG23      THR  10  -4.064   5.265   7.112
   61    H    LEU  11           HN       LEU  11  -3.751   0.491   5.103
   62    HA   LEU  11           HA       LEU  11  -2.079  -0.942   7.025
   63    HB2  LEU  11           HB2      LEU  11  -4.739  -1.814   5.891
   64    HB3  LEU  11           HB1      LEU  11  -3.698  -2.798   6.888
   65    HG   LEU  11           HG       LEU  11  -5.049  -0.256   7.803
   66   HD11  LEU  11          HD11      LEU  11  -6.487  -1.745   9.108
   67   HD12  LEU  11          HD12      LEU  11  -5.723  -3.141   8.347
   68   HD13  LEU  11          HD13      LEU  11  -6.668  -2.013   7.376
   69   HD21  LEU  11          HD21      LEU  11  -2.966  -0.701   9.000
   70   HD22  LEU  11          HD22      LEU  11  -3.496  -2.351   9.327
   71   HD23  LEU  11          HD23      LEU  11  -4.359  -0.990  10.042
   72    H    SER  12           HN       SER  12  -0.671  -2.306   6.061
   73    HA   SER  12           HA       SER  12  -0.272  -2.153   3.276
   74    HB2  SER  12           HB2      SER  12   1.435  -3.984   3.871
   75    HB3  SER  12           HB1      SER  12   1.663  -2.371   4.558
   76    HG   SER  12           HG       SER  12   1.516  -3.235   6.434
   77    H    LYS  13           HN       LYS  13  -1.767  -4.424   5.393
   78    HA   LYS  13           HA       LYS  13  -1.933  -6.608   3.636
   79    HB2  LYS  13           HB2      LYS  13  -3.691  -7.476   5.148
   80    HB3  LYS  13           HB1      LYS  13  -2.221  -6.990   5.963
   81    HG2  LYS  13           HG2      LYS  13  -3.975  -6.281   7.362
   82    HG3  LYS  13           HG1      LYS  13  -3.417  -4.827   6.546
   83    HD2  LYS  13           HD2      LYS  13  -5.818  -4.802   6.653
   84    HD3  LYS  13           HD1      LYS  13  -5.333  -5.056   4.978
   85    HE2  LYS  13           HE2      LYS  13  -5.758  -7.440   5.191
   86    HE3  LYS  13           HE1      LYS  13  -6.161  -7.227   6.894
   87    HZ1  LYS  13           HZ1      LYS  13  -8.119  -7.386   5.558
   88    HZ2  LYS  13           HZ2      LYS  13  -7.636  -6.110   4.584
   89    HZ3  LYS  13           HZ3      LYS  13  -8.026  -5.835   6.210
   90    H    GLY  14           HN       GLY  14  -3.640  -3.679   3.563
   91    HA2  GLY  14           HA2      GLY  14  -6.013  -4.763   2.336
   92    HA3  GLY  14           HA1      GLY  14  -5.619  -3.059   2.540
   93    H    CYS  15           HN       CYS  15  -2.996  -3.419   1.336
   94    HA   CYS  15           HA       CYS  15  -3.738  -2.705  -1.304
   95    HB2  CYS  15           HB2      CYS  15  -1.051  -3.254  -0.079
   96    HB3  CYS  15           HB1      CYS  15  -1.330  -2.470  -1.633
   97    H    CYS  16           HN       CYS  16  -3.386  -3.748  -3.227
   98    HA   CYS  16           HA       CYS  16  -3.516  -6.549  -3.264
   99    HB2  CYS  16           HB2      CYS  16  -2.696  -4.702  -5.512
  100    HB3  CYS  16           HB1      CYS  16  -3.284  -6.352  -5.684
  101    H    THR  17           HN       THR  17  -0.740  -4.316  -3.547
  102    HA   THR  17           HA       THR  17   1.142  -6.355  -4.173
  103    HB   THR  17           HB       THR  17   2.633  -4.392  -3.436
  104    HG1  THR  17           HG1      THR  17   1.667  -2.581  -3.050
  105   HG21  THR  17          HG21      THR  17   2.322  -3.321  -5.631
  106   HG22  THR  17          HG22      THR  17   0.826  -4.236  -5.855
  107   HG23  THR  17          HG23      THR  17   2.377  -5.080  -5.766
  108    H    LYS  18           HN       LYS  18  -0.524  -5.826  -1.414
  109    HA   LYS  18           HA       LYS  18  -0.316  -6.268   0.785
  110    HB2  LYS  18           HB2      LYS  18   2.203  -7.750   0.015
  111    HB3  LYS  18           HB1      LYS  18   1.320  -7.928   1.519
  112    HG2  LYS  18           HG2      LYS  18   0.399  -8.721  -1.237
  113    HG3  LYS  18           HG1      LYS  18   0.854  -9.795   0.084
  114    HD2  LYS  18           HD2      LYS  18  -1.048  -8.872   1.398
  115    HD3  LYS  18           HD1      LYS  18  -1.521  -7.944  -0.026
  116    HE2  LYS  18           HE2      LYS  18  -1.672 -10.071  -1.295
  117    HE3  LYS  18           HE1      LYS  18  -1.354 -10.935   0.208
  118    HZ1  LYS  18           HZ1      LYS  18  -3.659  -9.166  -0.337
  119    HZ2  LYS  18           HZ2      LYS  18  -3.386  -9.948   1.137
  120    HZ3  LYS  18           HZ3      LYS  18  -3.713 -10.838  -0.238
  121    H    ASN  19           HN       ASN  19   1.392  -4.035  -0.550
  122    HA   ASN  19           HA       ASN  19   2.831  -3.392   1.900
  123    HB2  ASN  19           HB2      ASN  19   4.516  -4.182   0.286
  124    HB3  ASN  19           HB1      ASN  19   3.937  -3.020  -0.902
  125   HD21  ASN  19          HD21      ASN  19   5.996  -2.010  -1.049
  126   HD22  ASN  19          HD22      ASN  19   6.584  -1.016   0.216
  127    H    CYS  20           HN       CYS  20   2.711  -1.372   2.530
  128    HA   CYS  20           HA       CYS  20   1.491   0.682   0.891
  129    HB2  CYS  20           HB2      CYS  20  -0.356  -0.316   2.192
  130    HB3  CYS  20           HB1      CYS  20   0.600  -0.182   3.666
  131    H    GLY  21           HN       GLY  21   2.558   2.628   1.377
  132    HA2  GLY  21           HA2      GLY  21   4.731   2.223   3.320
  133    HA3  GLY  21           HA1      GLY  21   4.815   3.266   1.913
  134    H    TRP  22           HN       TRP  22   5.695   4.598   3.729
  135    HA   TRP  22           HA       TRP  22   3.982   5.876   5.580
  136    HB2  TRP  22           HB2      TRP  22   5.867   7.551   5.595
  137    HB3  TRP  22           HB1      TRP  22   6.363   5.991   6.138
  138    HD1  TRP  22           HD1      TRP  22   7.742   4.524   4.066
  139    HE1  TRP  22           HE1      TRP  22   9.358   5.480   2.293
  140    HE3  TRP  22           HE3      TRP  22   6.396   9.232   4.453
  141    HZ2  TRP  22           HZ2      TRP  22   9.973   8.045   1.202
  142    HZ3  TRP  22           HZ3      TRP  22   7.509  11.029   3.025
  143    HH2  TRP  22           HH2      TRP  22   9.275  10.390   1.438
  144    H    ASN  23           HN       ASN  23   4.157   6.029   2.313
  145    HA   ASN  23           HA       ASN  23   3.485   8.822   1.987
  146    HB2  ASN  23           HB2      ASN  23   3.450   8.303  -0.403
  147    HB3  ASN  23           HB1      ASN  23   4.930   7.694   0.322
  148   HD21  ASN  23          HD21      ASN  23   3.781   6.868  -2.126
  149   HD22  ASN  23          HD22      ASN  23   3.391   5.189  -1.987
  150    H    PHE  24           HN       PHE  24   1.959   6.035   2.898
  151    HA   PHE  24           HA       PHE  24  -0.134   5.318   3.122
  152    HB2  PHE  24           HB2      PHE  24  -0.646   8.273   2.848
  153    HB3  PHE  24           HB1      PHE  24  -1.967   7.134   3.111
  154    HD1  PHE  24           HD1      PHE  24  -2.370   6.202   5.219
  155    HD2  PHE  24           HD2      PHE  24   1.160   8.474   4.568
  156    HE1  PHE  24           HE1      PHE  24  -1.929   6.201   7.633
  157    HE2  PHE  24           HE2      PHE  24   1.610   8.479   6.980
  158    HZ   PHE  24           HZ       PHE  24   0.062   7.337   8.519
  159    H    LYS  25           HN       LYS  25   1.027   5.057   0.678
  160    HA   LYS  25           HA       LYS  25  -1.337   4.771  -1.004
  161    HB2  LYS  25           HB2      LYS  25   1.397   5.697  -1.719
  162    HB3  LYS  25           HB1      LYS  25   0.238   5.179  -2.947
  163    HG2  LYS  25           HG2      LYS  25  -1.179   7.078  -2.397
  164    HG3  LYS  25           HG1      LYS  25  -0.146   7.495  -1.029
  165    HD2  LYS  25           HD2      LYS  25   0.349   9.000  -2.851
  166    HD3  LYS  25           HD1      LYS  25   1.713   7.913  -2.621
  167    HE2  LYS  25           HE2      LYS  25   1.353   8.133  -4.978
  168    HE3  LYS  25           HE1      LYS  25   0.811   6.529  -4.512
  169    HZ1  LYS  25           HZ1      LYS  25  -1.469   7.299  -4.548
  170    HZ2  LYS  25           HZ2      LYS  25  -0.737   7.623  -6.024
  171    HZ3  LYS  25           HZ3      LYS  25  -0.973   8.868  -4.913
  172    H    CYS  26           HN       CYS  26  -1.340   2.808  -2.031
  173    HA   CYS  26           HA       CYS  26   0.204   0.749  -0.917
  174    HB2  CYS  26           HB2      CYS  26  -1.640   0.947  -3.226
  175    HB3  CYS  26           HB1      CYS  26  -0.928  -0.618  -2.767
  176    H    ASN  27           HN       ASN  27   2.080  -0.019  -1.453
  177    HA   ASN  27           HA       ASN  27   3.364   0.894  -3.940
  178    HB2  ASN  27           HB2      ASN  27   4.645   0.491  -1.205
  179    HB3  ASN  27           HB1      ASN  27   5.514   0.895  -2.673
  180   HD21  ASN  27          HD21      ASN  27   5.451   2.303  -0.177
  181   HD22  ASN  27          HD22      ASN  27   4.817   3.878  -0.470
  182    HA   HYP  28           HA       HYP  28   4.309  -3.545  -4.085
  183    HB2  HYP  28           HB1      HYP  28   5.137  -3.741  -6.226
  184    HB3  HYP  28           HB2      HYP  28   6.672  -3.018  -5.738
  185    HG   HYP  28           HG       HYP  28   5.831  -1.345  -7.149
  186   HD22  HYP  28          HD11      HYP  28   4.458   0.174  -5.443
  187   HD23  HYP  28          HD12      HYP  28   6.145  -0.223  -5.051
  188    HD1  HYP  28           HD2      HYP  28   3.545  -0.787  -6.875
  189    HA   HYP  29           HA       HYP  29   7.513  -4.399  -1.215
  190    HB2  HYP  29           HB1      HYP  29   7.626  -6.699  -1.047
  191    HB3  HYP  29           HB2      HYP  29   8.144  -6.879  -2.730
  192    HG   HYP  29           HG       HYP  29   5.869  -7.651  -2.715
  193   HD22  HYP  29          HD11      HYP  29   4.745  -5.459  -3.673
  194   HD23  HYP  29          HD12      HYP  29   6.218  -6.025  -4.496
  195    HD1  HYP  29           HD2      HYP  29   4.383  -5.920  -1.849
  196    H    ASN  30           HN       ASN  30   9.494  -3.701  -1.063
  197    HA   ASN  30           HA       ASN  30  11.069  -3.150  -3.426
  198    HB2  ASN  30           HB2      ASN  30  11.747  -2.720  -0.504
  199    HB3  ASN  30           HB1      ASN  30  12.578  -2.011  -1.886
  200   HD21  ASN  30          HD21      ASN  30  11.560  -0.341  -3.034
  201   HD22  ASN  30          HD22      ASN  30  10.203   0.507  -2.394
  202    H    GLN  31           HN       GLN  31  10.985  -5.263  -0.744
  203    HA   GLN  31           HA       GLN  31  12.894  -7.065  -1.967
  204    HB2  GLN  31           HB2      GLN  31  12.846  -6.215   0.947
  205    HB3  GLN  31           HB1      GLN  31  13.691  -7.635   0.366
  206    HG2  GLN  31           HG2      GLN  31  14.305  -4.810  -0.495
  207    HG3  GLN  31           HG1      GLN  31  15.149  -5.684   0.782
  208   HE21  GLN  31          HE21      GLN  31  14.631  -5.419  -2.618
  209   HE22  GLN  31          HE22      GLN  31  15.951  -6.411  -3.114