*HEADER    ELECTRON TRANSPORT                      23-NOV-02   1N9C              
*TITLE     STRUCTURE AND DYNAMICS OF REDUCED BACILLUS PASTEURII                  
*TITLE    2 CYTOCHROME C: OXIDATION STATE DEPENDENT PROPERTIES AND               
*TITLE    3 IMPLICATIONS FOR ELECTRON TRANSFER PROCESSES                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME C-553;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SOLUBLE PART OF MEMBRANE-ANCHORED CYTOCHROME C;            
*COMPND   5 SYNONYM: C553;                                                       
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS PASTEURII;                             
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: C41(DE3)                                   
*KEYWDS    CYTOCHROME C, RESPIRATION, ELECTRON TRANSFER, REDOX                   
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    I.BARTALESI, I.BERTINI, A.ROSATO                                      
*REVDAT   1   04-FEB-03 1N9C    0                                                
 22 VAL  
         HA     23 ASP  HN      3.40
         HB     23 ASP  HN      5.90
         HB     27 VAL  QQG     6.76
         HB     79 ALA  QB      6.20
         HB     83 ALA  QB      5.30
         QQG    23 ASP  HN      7.76
         QQG    27 VAL  HN      8.56
         QQG    80 GLU  HA      7.56
         QQG    80 GLU  QB      8.44
         QQG    80 GLU  HG3     8.36
         QQG    83 ALA  QB      7.76
 23 ASP  
         HN     24 ALA  HN      5.20
         HN     24 ALA  HA      5.30
         HN     26 ALA  HN      6.00
         HN     26 ALA  QB      5.80
         HN     27 VAL  QQG     8.56
         HA     24 ALA  HN      3.40
         HA     24 ALA  HA      6.00
         HA     24 ALA  QB      5.50
         HA     25 GLU  HN      5.20
         HA     26 ALA  HN      6.00
         HA     26 ALA  QB      7.00
         HB2    24 ALA  HN      5.90
         HB2    26 ALA  HN      5.60
         HB2    26 ALA  QB      6.40
         HB2    27 VAL  HN      6.00
         HB3    24 ALA  HN      5.90
         HB3    26 ALA  HN      5.60
         HB3    26 ALA  QB      6.40
         HB3    27 VAL  HN      6.00
         QB     25 GLU  HN      6.08
         QB     26 ALA  HN      5.14
         QB     26 ALA  QB      5.81
         QB     27 VAL  HN      5.41
 24 ALA  
         HN     24 ALA  QB      3.40
         HN     25 GLU  HN      4.20
         HN     26 ALA  HN      5.80
         HN     83 ALA  QB      7.00
         HN     87 TRP  HD      6.00
         HA     26 ALA  HN      5.60
         HA     27 VAL  HN      4.50
         HA     27 VAL  HB      3.90
         HA     27 VAL  QG1     6.40
         HA     27 VAL  QG2     6.40
         HA     27 VAL  QQG     5.81
         HA     28 VAL  HN      5.60
         HA     28 VAL  QQG     7.86
         HA     83 ALA  QB      7.00
         HA     84 VAL  HN      6.00
         HA     84 VAL  QQG     7.26
         HA     87 TRP  HD      6.00
         QB     25 GLU  HN      4.00
         QB     26 ALA  HN      5.40
         QB     28 VAL  QQG     6.76
         QB     83 ALA  HA      6.90
         QB     83 ALA  QB      6.40
         QB     84 VAL  HN      7.00
         QB     84 VAL  HA      5.10
         QB     87 TRP  HN      7.00
         QB     87 TRP  HB2     5.60
         QB     87 TRP  HB3     5.40
         QB     87 TRP  HD      6.00
         QB     87 TRP  HE3     6.40
         QB     87 TRP  HE      7.00
 25 GLU  
         HN     25 GLU  HB2     3.70
         HN     25 GLU  HB3     3.70
         HN     25 GLU  QB      3.44
         HN     25 GLU  HG2     6.00
         HN     25 GLU  HG3     6.00
         HN     26 ALA  HN      3.90
         HN     87 TRP  HD      5.80
         HN     87 TRP  HE      6.00
         HA     26 ALA  HA      6.00
         HA     28 VAL  HN      4.90
         HA     28 VAL  HB      4.10
         HA     28 VAL  QG1     6.70
         HA     28 VAL  QG2     6.70
         HA     28 VAL  QQG     6.26
         HA     29 GLN  HN      5.50
         HA     87 TRP  HE      6.00
         HA     87 TRP  HZ1     5.40
         HA     87 TRP  HH2     5.60
         HB2    26 ALA  HN      4.50
         HB2    87 TRP  HE      6.00
         HB2    87 TRP  HZ1     5.40
         HB2    87 TRP  HH2     6.00
         HB3    26 ALA  HN      4.50
         HB3    87 TRP  HE      6.00
         HB3    87 TRP  HZ1     5.40
         HB3    87 TRP  HH2     6.00
         QB     26 ALA  HN      4.21
         QB     28 VAL  HB      5.18
         QB     87 TRP  HE      5.50
         QB     87 TRP  HZ1     4.99
         HG2    26 ALA  HN      6.00
         HG2    87 TRP  HE      6.00
         HG3    26 ALA  HN      6.00
         HG3    87 TRP  HE      6.00
         QG     26 ALA  HN      5.69
         QG     29 GLN  HB2     3.98
         QG     29 GLN  HB3     4.98
         QG     87 TRP  HD      5.78
         QG     87 TRP  HZ1     6.48
         QG     87 TRP  HH2     6.38
 26 ALA  
         HN     26 ALA  QB      3.40
         HN     27 VAL  HN      3.40
         HN     27 VAL  HA      6.00
         HN     28 VAL  HN      5.60
         HN     29 GLN  HN      5.70
         HA     28 VAL  HN      5.80
         HA     29 GLN  HN      4.50
         HA     29 GLN  HB2     3.80
         HA     29 GLN  HB3     3.90
         HA     29 GLN  HG2     5.50
         HA     29 GLN  HG3     5.50
         HA     29 GLN  QG      5.28
         QB     27 VAL  HN      3.70
         QB     27 VAL  HA      5.80
         QB     27 VAL  QQG     9.16
         QB     29 GLN  HN      6.50
 27 VAL  
         HN     27 VAL  HB      3.60
         HN     27 VAL  QQG     4.34
         HN     28 VAL  HN      3.90
         HN     29 GLN  HN      4.40
         HN     84 VAL  QQG     8.56
         HA     29 GLN  HN      5.80
         HA     30 GLN  HN      4.50
         HA     30 GLN  HB2     4.10
         HA     30 GLN  HB3     4.10
         HA     31 LYS  HN      6.00
         HA     31 LYS  HB2     4.70
         HA     31 LYS  HB3     4.70
         HA     31 LYS  QB      4.32
         HA     31 LYS  QD      5.68
         HA     31 LYS  QE      7.00
         HB     28 VAL  HN      3.70
         HB     28 VAL  QQG     8.36
         HB     84 VAL  QQG     6.46
         QG1    28 VAL  HN      6.90
         QG1    80 GLU  HA      6.90
         QG1    80 GLU  HB2     7.45
         QG1    80 GLU  HB3     7.45
         QG2    28 VAL  HN      6.90
         QG2    80 GLU  HA      6.90
         QG2    80 GLU  HB2     7.45
         QG2    80 GLU  HB3     7.45
         QQG    28 VAL  HN      6.57
         QQG    28 VAL  QQG     9.02
         QQG    31 LYS  QD      9.04
         QQG    31 LYS  QE      9.56
         QQG    75 ILE  QG2     7.56
         QQG    76 ALA  QB      6.96
         QQG    80 GLU  HA      6.13
         QQG    80 GLU  QB      6.24
         QQG    83 ALA  QB      8.66
         QQG    36 HES  QT2     7.76
 28 VAL  
         HN     28 VAL  HB      3.60
         HN     28 VAL  QG1     4.90
         HN     28 VAL  QG2     4.90
         HN     29 GLN  HN      4.20
         HN     30 GLN  HN      5.60
         HN     84 VAL  QG1     7.00
         HN     84 VAL  QG2     7.00
         HN     84 VAL  QQG     6.33
         HN     87 TRP  HZ1     6.00
         HA     30 GLN  HN      5.50
         HA     31 LYS  HN      4.50
         HA     32 CYM  HN      4.60
         HA     32 CYM  HB2     4.10
         HA     33 ILE  HN      6.00
         HB     29 GLN  HN      3.90
         HB     29 GLN  QG      5.98
         HB     87 TRP  HE3     6.00
         HB     87 TRP  HZ1     5.70
         HB     87 TRP  HH2     5.70
         QG1    29 GLN  HN      7.00
         QG1    32 CYM  HN      7.00
         QG1    32 CYM  HB2     7.00
         QG1    32 CYM  HB3     7.00
         QG1    40 LEU  QD1     9.22
         QG1    40 LEU  QD2     9.22
         QG1    48 ILE  HG12    8.55
         QG1    48 ILE  HG13    8.55
         QG1    87 TRP  HE3     7.00
         QG1    87 TRP  HZ1     5.80
         QG1    87 TRP  HH2     6.70
         QG1    88 LEU  QD1    10.42
         QG1    88 LEU  QD2    10.42
         QG2    29 GLN  HN      7.00
         QG2    32 CYM  HN      7.00
         QG2    32 CYM  HB2     7.00
         QG2    32 CYM  HB3     7.00
         QG2    40 LEU  QD1     9.22
         QG2    40 LEU  QD2     9.22
         QG2    48 ILE  HG12    8.55
         QG2    48 ILE  HG13    8.55
         QG2    87 TRP  HE3     7.00
         QG2    87 TRP  HZ1     5.80
         QG2    87 TRP  HH2     6.70
         QG2    88 LEU  QD1    10.42
         QG2    88 LEU  QD2    10.42
         QQG    29 GLN  HN      6.57
         QQG    29 GLN  HNE1    8.56
         QQG    32 CYM  HB2     6.19
         QQG    32 CYM  HB3     6.38
         QQG    40 LEU  HG      6.56
         QQG    40 LEU  QQD     6.52
         QQG    48 ILE  QG1     7.31
         QQG    84 VAL  QQG     8.72
         QQG    87 TRP  HE3     6.28
         QQG    87 TRP  HH2     6.41
         QQG    88 LEU  QQD     7.72
         QQG    36 HES  QM1     8.56
         QQG    36 HES  QT2     8.56
 29 GLN  
         HN     29 GLN  HB2     3.70
         HN     29 GLN  HB3     4.20
         HN     29 GLN  HG2     5.60
         HN     29 GLN  HG3     5.60
         HN     29 GLN  QG      5.43
         HN     29 GLN  HNE1    6.00
         HN     30 GLN  HN      3.80
         HN     31 LYS  HN      6.00
         HN     32 CYM  HN      6.00
         HN     33 ILE  QG2     7.00
         HA     31 LYS  HN      6.00
         HA     33 ILE  HN      6.00
         HA     33 ILE  HB      4.90
         HA     33 ILE  QG2     5.50
         HA     33 ILE  QG1     6.60
         HB2    30 GLN  HN      4.90
         HB2    33 ILE  QG2     5.50
         HB3    30 GLN  HN      4.60
         HB3    33 ILE  QG2     5.40
         HNE1   33 ILE  QG2     6.60
         HNE1   33 ILE  QG1     7.00
         HNE1   38 GLY  QA      6.88
         HNE1   40 LEU  QQD     8.57
         HNE1   87 TRP  HH2     5.70
         HNE2   33 ILE  QG2     6.40
         HNE2   38 GLY  QA      6.88
         HNE2   87 TRP  HH2     5.10
 30 GLN  
         HN     30 GLN  HB2     3.90
         HN     30 GLN  HB3     3.90
         HN     30 GLN  QB      3.70
         HN     30 GLN  HG2     5.70
         HN     30 GLN  HG3     5.70
         HN     31 LYS  HN      4.10
         HN     31 LYS  HA      6.00
         HN     32 CYM  HN      4.00
         HN     33 ILE  HN      6.00
         HN     33 ILE  QG2     7.00
         HA     32 CYM  HN      6.00
         HA     33 ILE  QG2     7.00
         QNE    31 LYS  QG      7.74
 31 LYS  
         HN     31 LYS  HB2     3.80
         HN     31 LYS  HB3     3.80
         HN     31 LYS  QB      3.60
         HN     31 LYS  HG2     6.00
         HN     31 LYS  HG3     6.00
         HN     31 LYS  QD      6.28
         HN     31 LYS  QE      7.00
         HN     33 ILE  HN      3.80
         HN     36 HES  HT2A    6.00
         HN     36 HES  QT2     7.00
         HA     31 LYS  HD2     5.80
         HA     31 LYS  HD3     5.80
         HA     31 LYS  QD      5.49
         HA     31 LYS  QE      7.00
         HA     75 ILE  QG2     7.00
         HB2    31 LYS  QE      7.00
         HB2    32 CYM  HA      6.00
         HB2    75 ILE  QG2     6.00
         HB2    36 HES  HT2A    5.90
         HB3    31 LYS  QE      7.00
         HB3    32 CYM  HA      6.00
         HB3    75 ILE  QG2     6.00
         HB3    36 HES  HT2A    5.90
         QB     32 CYM  HN      5.08
         QB     75 ILE  QG2     5.59
         QD     75 ILE  QG2     6.88
         QD     36 HES  HT2A    6.88
         QE     75 ILE  HA      7.00
         QE     75 ILE  QG2     8.00
         QE     75 ILE  QG1     7.88
         QE     76 ALA  HA      7.00
         QE     76 ALA  QB      8.00
 32 CYM  
         HN     33 ILE  HN      4.20
         HN     33 ILE  HB      6.00
         HN     33 ILE  QG2     6.80
         HN     33 ILE  QG1     7.00
         HN     34 SER  HN      5.60
         HN     36 HES  HT2A    6.00
         HN     36 HES  HAM     6.00
         HA     34 SER  HN      6.00
         HA     36 HES  HD2     5.40
         HA     75 ILE  QG2     7.00
         HA     75 ILE  QD1     7.00
         HA     36 HES  HT2A    4.30
         HA     36 HES  QT2     7.00
         HA     36 HES  HAM     3.80
         HA     36 HES  QM3     6.10
         HB2    33 ILE  HN      5.10
         HB2    33 ILE  QG2     6.90
         HB2    36 HES  HD2     5.90
         HB2    48 ILE  QG1     6.88
         HB2    36 HES  QM1     7.00
         HB2    36 HES  HT2A    5.50
         HB2    36 HES  HAM     6.00
         HB3    33 ILE  HN      5.80
         HB3    36 HES  HB2     4.20
         HB3    36 HES  HD2     4.70
         HB3    36 HES  QM1     6.00
         HB3    36 HES  HT2A    5.20
         HB3    36 HES  HAM     5.60
         SG     36 HES  CAB     1.90
 33 ILE  
         HN     33 ILE  HB      3.60
         HN     33 ILE  QG2     4.30
         HN     33 ILE  QG1     6.90
         HN     33 ILE  QD1     7.00
         HN     34 SER  HN      4.40
         HN     34 SER  HA      5.40
         HA     35 CYM  HN      5.00
         HA     36 HES  HN      4.60
         HA     36 HES  HB2     3.60
         HA     36 HES  HB3     5.00
         HA     38 GLY  QA      6.08
         HB     33 ILE  QD1     3.70
         HB     34 SER  HN      5.40
         HB     38 GLY  HN      6.00
         HB     38 GLY  QA      5.58
         QG2    38 GLY  HA1     7.00
         QG2    38 GLY  HA2     7.00
         QG2    38 GLY  QA      6.41
         QG2    40 LEU  HN      7.00
         QG2    40 LEU  QQD     9.07
         QG1    34 SER  HN      6.80
         QG1    38 GLY  QA      7.88
 34 SER  
         HN     35 CYM  HN      5.00
         HN     36 HES  HN      5.10
         HA     37 GLY  HN      5.90
         HB2    35 CYM  HN      6.00
         HB2    36 HES  QM3     5.70
         HB3    35 CYM  HN      6.00
         HB3    36 HES  QM3     5.70
         QB     36 HES  HN      6.88
         QB     36 HES  QM3     5.53
 35 CYM  
         HN     35 CYM  HB3     4.10
         HN     36 HES  HA      5.80
         HN     36 HES  HB2     5.20
         HN     36 HES  HD2     6.00
         HN     37 GLY  HN      4.40
         HN     40 LEU  QQD     8.57
         HN     36 HES  QM3     7.00
         HA     37 GLY  HN      6.00
         HA     44 SER  HN      4.90
         HA     45 ALA  QB      7.00
         HB2    36 HES  HN      5.40
         HB2    36 HES  HD2     6.00
         HB2    45 ALA  QB      5.00
         HB2    36 HES  HT4A    4.70
         HB2    36 HES  QT4     5.70
         HB2    36 HES  HBM     5.20
         HB2    36 HES  QM5     4.90
         HB3    36 HES  HN      4.50
         HB3    44 SER  HB2     6.00
         HB3    44 SER  HB3     5.20
         HB3    45 ALA  QB      5.70
         HB3    36 HES  QM3     7.00
         HB3    36 HES  HT4A    5.10
         HB3    36 HES  HBM     5.80
         SG     36 HES  CAC     1.90
 36 HES  
         HN     36 HES  HND     6.00
         HN     36 HES  HD2     6.00
         HN     37 GLY  HN      4.40
         HN     40 LEU  QQD     8.57
         HN     45 ALA  QB      7.00
         HN     36 HES  QM3     7.00
         HA     36 HES  HND     5.10
         HA     37 GLY  HA2     6.00
         HA     44 SER  HN      5.60
         HA     45 ALA  QB      5.60
         HA     48 ILE  QG2     7.00
         HA     48 ILE  QG1     6.18
         HB2    37 GLY  HN      4.90
         HB2    40 LEU  HA      4.70
         HB2    40 LEU  HG      4.90
         HB2    40 LEU  QQD     8.57
         HB2    45 ALA  QB      7.00
         HB2    48 ILE  QG2     7.00
         HB2    48 ILE  HG12    5.30
         HB2    48 ILE  HG13    5.30
         HB2    48 ILE  QG1     4.93
         HB3    37 GLY  HN      5.40
         HB3    40 LEU  HA      4.90
         HB3    40 LEU  HB3     4.70
         HB3    40 LEU  HG      6.00
         HB3    40 LEU  QD1     7.00
         HB3    40 LEU  QD2     7.00
         HB3    40 LEU  QQD     6.67
         HB3    45 ALA  QB      7.00
         HB3    48 ILE  HG12    5.50
         HB3    48 ILE  HG13    5.50
         HB3    48 ILE  QG1     5.33
         HB3    48 ILE  QD1     6.90
         ND1    46 PRO  O       3.00
         HND    45 ALA  QB      6.10
         HND    46 PRO  QD      6.88
         HND    46 PRO  O       2.00
         HND    47 ALA  HA      6.00
         HND    48 ILE  HN      6.00
         HND    48 ILE  QG2     5.80
         HND    48 ILE  HG12    5.80
         HND    48 ILE  HG13    5.80
         HND    48 ILE  QG1     5.30
         HND    48 ILE  QD1     7.00
         NE2    36 HES  FE      2.10
         HD2    45 ALA  QB      6.80
         HD2    48 ILE  QG2     7.00
         HD2    48 ILE  HG12    6.00
         HD2    48 ILE  HG13    6.00
         HD2    48 ILE  QG1     5.36
         HD2    36 HES  HT2A    5.90
         HD2    36 HES  HAM     5.70
         HD2    36 HES  QM3     7.00
         HE     45 ALA  HA      6.00
         HE     45 ALA  QB      5.40
         HE     46 PRO  QG      5.28
         HE     46 PRO  HD2     5.30
         HE     46 PRO  HD3     5.30
         HE     46 PRO  QD      4.84
         HE     48 ILE  QG2     5.40
         HE     48 ILE  HG12    5.70
         HE     48 ILE  HG13    5.70
         HE     48 ILE  QG1     5.48
         HE     36 HES  HBP73    6.00
         HE     36 HES  HBP74    6.00
         HE     36 HES  HGM     4.70
 37 GLY  
         HN     38 GLY  HN      5.60
         HN     40 LEU  QQD     8.57
         HN     43 ALA  QB      6.10
         HA1    39 ASP  HN      6.00
         HA1    40 LEU  HN      5.40
         HA1    43 ALA  QB      5.60
         HA2    39 ASP  HN      5.70
         HA2    40 LEU  HN      4.50
         HA2    41 THR  HN      6.00
         HA2    42 GLY  HN      5.10
         HA2    43 ALA  QB      5.50
 38 GLY  
         HN     39 ASP  HN      4.40
         HN     40 LEU  HN      5.00
         HA1    40 LEU  HN      5.80
         HA2    40 LEU  HN      5.80
         QA     40 LEU  HN      5.21
 39 ASP  
         HN     40 LEU  HA      5.00
         HN     40 LEU  QQD     8.57
         HN     41 THR  QG2     7.00
         HA     41 THR  HN      6.00
         HB2    40 LEU  HN      5.70
         HB2    41 THR  HN      6.00
         HB2    41 THR  QG2     7.00
         HB3    41 THR  HN      5.80
         HB3    41 THR  HB      6.00
 40 LEU  
         HN     40 LEU  QD1     6.80
         HN     40 LEU  QD2     6.80
         HN     40 LEU  QQD     5.72
         HA     40 LEU  QD1     6.80
         HA     40 LEU  QD2     6.80
         HA     42 GLY  HN      4.80
         HA     48 ILE  QG2     6.70
         HA     48 ILE  HG12    6.00
         HA     48 ILE  HG13    6.00
         HA     48 ILE  QD1     7.00
         HB2    41 THR  HN      5.70
         HB2    48 ILE  HG12    6.00
         HB2    48 ILE  HG13    6.00
         HB2    48 ILE  QG1     5.64
         HB2    48 ILE  QD1     6.70
         HB2    49 ASP  HA      6.00
         HB2    49 ASP  HB3     5.80
         HB3    41 THR  HN      6.00
         HB3    48 ILE  HN      5.90
         HB3    48 ILE  HB      5.20
         HB3    48 ILE  QG2     7.00
         HB3    48 ILE  HG12    5.30
         HB3    48 ILE  HG13    5.30
         HB3    48 ILE  QG1     4.88
         HB3    48 ILE  QD1     5.50
         HB3    49 ASP  HN      5.50
         HB3    49 ASP  HA      4.90
         HB3    49 ASP  HB2     6.00
         HB3    49 ASP  HB3     5.10
         HG     48 ILE  QG1     6.38
         QD1    48 ILE  HG12    6.80
         QD1    48 ILE  HG13    6.80
         QD1    48 ILE  QD1     7.00
         QD1    87 TRP  HZ1     7.00
         QD1    87 TRP  HH2     7.00
         QD1    88 LEU  QD1    10.24
         QD1    88 LEU  QD2    10.24
         QD2    48 ILE  HG12    6.80
         QD2    48 ILE  HG13    6.80
         QD2    48 ILE  QD1     7.00
         QD2    87 TRP  HZ1     7.00
         QD2    87 TRP  HH2     7.00
         QD2    88 LEU  QD1    10.24
         QD2    88 LEU  QD2    10.24
         QQD    41 THR  HN      8.57
         QQD    42 GLY  HN      8.57
         QQD    48 ILE  HN      8.57
         QQD    48 ILE  HB      7.17
         QQD    48 ILE  QG2     9.57
         QQD    48 ILE  QG1     5.96
         QQD    48 ILE  QD1     6.42
         QQD    49 ASP  HN      8.57
         QQD    87 TRP  HZ1     6.10
         QQD    87 TRP  HZ1     8.57
         QQD    87 TRP  HH2     6.14
         QQD    88 LEU  QQD     7.64
 41 THR  
         HN     41 THR  QG2     4.50
         HN     42 GLY  HN      3.80
         HA     47 ALA  HA      3.70
         HA     47 ALA  QB      5.40
         HA     49 ASP  HB2     5.40
         HA     49 ASP  HB3     5.60
         HB     42 GLY  HN      6.00
         QG2    42 GLY  HN      7.00
 42 GLY  
         HN     43 ALA  HN      3.90
         HN     47 ALA  HA      3.70
         HN     47 ALA  QB      7.00
         HA1    43 ALA  HN      3.50
         HA1    45 ALA  HN      4.40
         HA1    46 PRO  HA      5.60
         HA1    47 ALA  HN      5.20
         HA1    47 ALA  HA      3.10
         HA1    47 ALA  QB      7.00
         HA2    46 PRO  HA      5.10
         HA2    47 ALA  HA      4.60
         HA2    47 ALA  QB      5.90
 43 ALA  
         HN     44 SER  HN      4.30
         HN     45 ALA  HN      3.80
         HN     45 ALA  QB      5.70
         QB     44 SER  HN      3.40
         QB     44 SER  HA      6.50
         QB     45 ALA  HN      4.80
 44 SER  
         HN     45 ALA  HN      3.80
         HN     45 ALA  QB      5.50
         HB2    45 ALA  HN      6.00
         HB3    45 ALA  HN      5.70
 45 ALA  
         HN     45 ALA  QB      3.50
         HA     36 HES  QM5     6.60
         HA     36 HES  HGM     6.00
         QB     46 PRO  HB2     7.00
         QB     46 PRO  HB3     7.00
         QB     48 ILE  QG2     8.00
         QB     36 HES  HT4A    6.80
         QB     36 HES  HBM     5.70
         QB     36 HES  QM5     5.70
         QB     36 HES  HGM     7.00
         QB     36 HES  QA6     7.89
 46 PRO  
         HA     47 ALA  HN      3.50
         HA     47 ALA  QB      5.30
         HB2    36 HES  HAP61    7.78
         HB2    36 HES  HAP62    7.78
         HB3    36 HES  HAP61    7.78
         HB3    36 HES  HAP62    7.78
         QB     47 ALA  QB      7.38
         QB     36 HES  HBP73    6.88
         QB     36 HES  HGM     6.88
         QB     36 HES  QA6     6.83
         QG     47 ALA  HN      5.11
         QG     48 ILE  QG2     7.88
         QG     36 HES  HBP73    6.88
         QG     36 HES  QM8     7.88
         QG     36 HES  HGM     5.48
         QD     48 ILE  QG2     7.88
         QD     36 HES  QM5     7.88
         QD     36 HES  HGM     6.88
         QD     36 HES  QA6     6.97
 47 ALA  
         HN     47 ALA  QB      3.40
         HN     48 ILE  QG2     7.00
         HA     48 ILE  QG2     7.00
         HA     48 ILE  HG12    6.00
         HA     48 ILE  HG13    6.00
         HA     48 ILE  QG1     5.74
         HA     49 ASP  HN      4.40
         QB     48 ILE  HN      4.00
         QB     48 ILE  QG2     8.00
         QB     49 ASP  HN      4.30
         QB     49 ASP  HB3     5.20
         QB     50 LYS  HN      5.20
         QB     50 LYS  QB      6.08
 48 ILE  
         HN     48 ILE  HG12    6.00
         HN     48 ILE  HG13    6.00
         HN     48 ILE  QG1     5.36
         HN     48 ILE  QD1     5.60
         HN     49 ASP  HN      3.50
         HN     49 ASP  HA      6.00
         HN     49 ASP  HB2     6.00
         HN     49 ASP  HB3     6.00
         HA     50 LYS  HN      4.90
         HA     51 ALA  HN      5.10
         HA     51 ALA  HA      4.50
         HA     51 ALA  QB      4.10
         HA     36 HES  QM8     7.00
         HB     49 ASP  HN      5.30
         HB     51 ALA  HN      5.20
         HB     51 ALA  QB      4.40
         HB     36 HES  QM8     6.90
         HB     36 HES  HDM     5.60
         QG2    49 ASP  HN      7.00
         QG2    51 ALA  HN      7.00
         QG2    51 ALA  QB      7.10
         QG2    88 LEU  HG      7.00
         QG2    88 LEU  QQD     9.57
         QG2    36 HES  HAP71    7.00
         QG2    36 HES  HAP72    7.00
         QG2    36 HES  HBP73    6.40
         QG2    36 HES  HBP74    4.80
         QG2    36 HES  HDM     6.80
         QG2    36 HES  HGM     7.00
         HG12   49 ASP  HN      6.00
         HG12   88 LEU  QD1    10.14
         HG12   88 LEU  QD2    10.14
         HG12   36 HES  HBP74    6.00
         HG13   49 ASP  HN      6.00
         HG13   88 LEU  QD1    10.14
         HG13   88 LEU  QD2    10.14
         HG13   36 HES  HBP74    6.00
         QG1    49 ASP  HN      5.79
         QG1    51 ALA  QB      7.88
         QG1    84 VAL  QQG     8.34
         QG1    88 LEU  QQD     7.85
         QG1    36 HES  HBP74    5.59
         QG1    36 HES  HDM     5.48
         QG1    36 HES  QM1     6.58
         QD1    88 LEU  QD1     8.00
         QD1    88 LEU  QD2     8.00
         QD1    36 HES  QM1     7.00
 49 ASP  
         HN     49 ASP  HB3     4.10
         HN     50 LYS  HN      3.90
         HN     51 ALA  HN      5.80
         HA     51 ALA  HN      5.60
         HA     88 LEU  QD1     7.00
         HA     88 LEU  QD2     7.00
         HB2    50 LYS  HN      6.00
         HB3    50 LYS  HN      5.50
         HB3    51 ALA  HN      6.00
 50 LYS  
         HN     50 LYS  HG2     6.00
         HN     50 LYS  HG3     6.00
         HN     50 LYS  QG      5.74
         HN     50 LYS  HD2     6.00
         HN     50 LYS  HD3     6.00
         HN     50 LYS  QE      7.00
         HN     51 ALA  HN      3.70
         HN     51 ALA  QB      4.90
         HA     50 LYS  QD      6.88
         HA     53 ALA  QB      5.90
         HB2    50 LYS  QE      7.00
         HB2    51 ALA  HN      4.90
         HB3    50 LYS  QE      7.00
         HB3    51 ALA  HN      4.90
         QB     51 ALA  HN      4.67
         HG2    51 ALA  HN      6.00
         HG3    51 ALA  HN      6.00
         QG     53 ALA  QB      7.88
 51 ALA  
         HN     51 ALA  QB      3.40
         HN     52 GLY  HN      4.40
         HN     53 ALA  HN      6.00
         HA     53 ALA  HN      5.10
         HA     54 ASN  HN      5.20
         HA     54 ASN  HB2     5.30
         HA     54 ASN  HB3     6.00
         HA     54 ASN  HND1    6.00
         HA     54 ASN  HND2    6.00
         HA     55 TYR  HN      6.00
         HA     55 TYR  QD      7.80
         HA     55 TYR  QE      8.00
         HA     60 ILE  QG1     6.50
         QB     52 GLY  HN      4.30
         QB     54 ASN  HN      6.70
         QB     55 TYR  HB3     6.60
         QB     55 TYR  QD      8.40
         QB     55 TYR  QE      9.00
         QB     60 ILE  QG2     6.40
         QB     60 ILE  QG1     8.00
         QB     60 ILE  QD1     6.90
         QB     88 LEU  HB2     6.10
         QB     88 LEU  HB3     5.00
         QB     88 LEU  QD1     7.10
         QB     88 LEU  QD2     7.10
         QB     88 LEU  QQD     6.67
         QB     36 HES  QM8     5.70
 52 GLY  
         HN     53 ALA  HN      4.00
         HN     53 ALA  HA      6.00
         HN     53 ALA  QB      5.60
         HN     54 ASN  HN      5.20
         HN     88 LEU  HB3     5.30
         HN     89 ALA  HA      4.20
         HN     91 LYS  HN      4.90
         HN     91 LYS  QB      5.88
         HN     92 LYS  HN      6.00
         HA1    54 ASN  HN      5.50
         HA1    55 TYR  HN      4.70
         HA1    55 TYR  HB3     6.00
         HA1    60 ILE  QD1     5.30
         HA1    89 ALA  HA      3.80
         HA1    89 ALA  QB      6.90
         HA2    54 ASN  HN      5.30
         HA2    55 TYR  HN      5.60
         HA2    89 ALA  HA      3.10
         HA2    92 LYS  QE      7.00
 53 ALA  
         HN     53 ALA  QB      3.40
         HN     54 ASN  HN      3.80
         HN     54 ASN  HB2     6.00
         HN     55 TYR  HN      3.90
         HN     91 LYS  QB      6.88
         HN     92 LYS  HA      3.60
         HN     92 LYS  QB      6.88
         HN     92 LYS  QG      5.70
         HA     55 TYR  HN      5.50
         HA     92 LYS  HA      6.00
         HA     92 LYS  QD      7.00
         HA     92 LYS  QE      7.00
         QB     54 ASN  HN      4.00
         QB     54 ASN  HA      6.50
         QB     54 ASN  HND1    7.00
         QB     54 ASN  HND2    7.00
         QB     55 TYR  HN      7.00
         QB     92 LYS  HA      5.70
         QB     92 LYS  QG      6.60
         QB     92 LYS  QD      6.50
 54 ASN  
         HN     54 ASN  HB2     3.90
         HN     55 TYR  HN      3.50
         HN     55 TYR  HA      6.00
         HB2    55 TYR  HN      5.00
         HB2    55 TYR  QD      6.70
         HB3    55 TYR  HN      5.80
         HB3    55 TYR  QD      7.40
         HB3    55 TYR  QE      8.00
         HND1   55 TYR  QE      6.60
         HND2   55 TYR  QD      7.40
         HND2   55 TYR  QE      8.00
 55 TYR  
         HN     55 TYR  QE      7.00
         HN     56 SER  HN      6.00
         HA     56 SER  HN      3.40
         HA     59 GLU  HB2     5.00
         HA     59 GLU  HB3     4.80
         HA     59 GLU  QG      6.88
         HB2    56 SER  HN      4.50
         HB2    59 GLU  HB2     4.50
         HB2    59 GLU  HB3     4.30
         HB2    60 ILE  HN      5.80
         HB2    60 ILE  QG1     6.70
         HB2    60 ILE  QD1     7.00
         HB3    56 SER  HN      4.50
         HB3    59 GLU  HN      4.70
         HB3    59 GLU  HB2     3.70
         HB3    59 GLU  HB3     4.30
         HB3    59 GLU  HG2     5.00
         HB3    59 GLU  HG3     5.00
         HB3    60 ILE  HN      5.10
         HB3    60 ILE  QD1     7.00
         QD     56 SER  HN      8.00
         QD     59 GLU  HB2     6.60
         QD     59 GLU  HB3     7.50
         QD     60 ILE  QD1     9.00
         QD     63 ILE  QG1     8.88
         QD     36 HES  HAP72    8.00
         QD     36 HES  HBP74    8.00
         QD     36 HES  QM8     9.00
         QE     59 GLU  HB2     8.00
         QE     59 GLU  QG      8.88
         QE     63 ILE  QG1     8.38
         QE     63 ILE  QD1     9.00
         QE     68 GLN  HNE2    7.50
         QE     36 HES  HAP71    8.00
         QE     36 HES  HAP72    7.30
         QE     36 HES  HBP74    7.20
 56 SER  
         HN     57 GLU  HN      4.60
         HN     58 GLU  HN      6.00
         HN     59 GLU  HN      5.20
         HN     59 GLU  HB2     3.80
         HN     59 GLU  HB3     4.00
         HN     59 GLU  HG2     6.00
         HN     59 GLU  HG3     6.00
         HN     60 ILE  HN      5.70
         HA     57 GLU  HN      3.60
         HA     57 GLU  QG      7.00
         HA     58 GLU  HN      5.30
         HA     59 GLU  HN      6.00
         HA     89 ALA  QB      7.00
         HB2    57 GLU  HN      4.90
         HB2    58 GLU  HN      5.50
         HB2    58 GLU  HB2     7.75
         HB2    58 GLU  HB3     7.75
         HB2    59 GLU  HN      5.90
         HB2    59 GLU  HB2     6.00
         HB3    57 GLU  HN      4.90
         HB3    58 GLU  HN      5.50
         HB3    58 GLU  HB2     7.75
         HB3    58 GLU  HB3     7.75
         HB3    59 GLU  HN      5.90
         HB3    59 GLU  HB2     6.00
         QB     57 GLU  HN      4.34
         QB     57 GLU  QG      7.78
         QB     58 GLU  HN      5.04
         QB     58 GLU  QB      6.77
         QB     58 GLU  QG      7.75
         QB     59 GLU  HN      5.35
         QB     59 GLU  HB2     5.55
 57 GLU  
         HN     57 GLU  HB2     3.80
         HN     57 GLU  HB3     3.80
         HN     57 GLU  QB      3.60
         HN     57 GLU  QG      6.90
         HN     58 GLU  HN      4.40
         HN     59 GLU  HN      6.00
         HN     89 ALA  QB      5.90
         HA     60 ILE  HN      4.80
         HA     60 ILE  HB      3.50
         HA     60 ILE  QG2     5.50
         HA     60 ILE  QG1     6.00
         HA     85 ALA  QB      5.40
         HA     89 ALA  QB      5.10
         HB2    58 GLU  HN      4.50
         HB2    86 ALA  HA      5.10
         HB2    86 ALA  QB      6.70
         HB3    58 GLU  HN      4.50
         HB3    86 ALA  HA      5.10
         HB3    86 ALA  QB      6.70
         QB     58 GLU  HN      4.31
         QB     85 ALA  QB      6.28
         QB     86 ALA  HA      4.83
         QB     86 ALA  QB      6.54
         QB     89 ALA  HN      5.98
         QB     89 ALA  QB      5.88
         QB     90 GLU  QB      7.25
         QG     58 GLU  HA      6.40
         QG     58 GLU  HG2     6.40
         QG     58 GLU  HG3     6.40
         QG     58 GLU  QG      6.14
         QG     86 ALA  HA      6.70
 58 GLU  
         HN     58 GLU  HB2     3.70
         HN     58 GLU  HB3     3.70
         HN     58 GLU  HG2     6.00
         HN     58 GLU  HG3     6.00
         HN     59 GLU  HN      4.20
         HN     60 ILE  HN      5.40
         HA     61 LEU  HN      4.30
         HA     61 LEU  HB2     4.30
         HA     61 LEU  HB3     3.80
         HA     61 LEU  QD1     7.00
         HA     61 LEU  QD2     6.80
         HA     62 ASP  HN      5.20
         HB2    59 GLU  HN      4.40
         HB3    59 GLU  HN      4.40
         QB     59 GLU  QG      5.75
         HG2    59 GLU  HG2     5.65
         HG2    59 GLU  HG3     5.65
         HG3    59 GLU  HG2     5.65
         HG3    59 GLU  HG3     5.65
         QG     59 GLU  HN      6.78
         QG     59 GLU  HA      6.88
         QG     59 GLU  HB2     4.88
         QG     59 GLU  QG      4.35
 59 GLU  
         HN     59 GLU  HB3     3.90
         HN     59 GLU  HG2     5.70
         HN     59 GLU  HG3     5.70
         HN     59 GLU  QG      5.48
         HN     60 ILE  HN      4.30
         HN     60 ILE  HA      5.40
         HN     60 ILE  QG1     6.40
         HN     61 LEU  HN      4.30
         HA     61 LEU  HN      6.00
         HA     62 ASP  HN      4.50
         HA     62 ASP  HB2     5.00
         HA     62 ASP  HB3     4.60
         HA     63 ILE  HN      6.00
         HB2    60 ILE  HN      3.60
         HB2    60 ILE  HA      4.70
         HB2    60 ILE  QG1     6.40
         HB2    60 ILE  QD1     4.90
         HB2    63 ILE  QG1     6.88
         HB3    60 ILE  HN      4.60
         QG     60 ILE  HN      6.88
 60 ILE  
         HN     60 ILE  HB      3.40
         HN     60 ILE  QG1     7.00
         HN     60 ILE  QD1     5.40
         HN     62 ASP  HN      4.10
         HA     62 ASP  HN      6.00
         HA     63 ILE  HN      4.60
         HA     63 ILE  HB      4.10
         HA     63 ILE  QG2     7.00
         HA     63 ILE  QG1     5.28
         HA     64 ILE  HN      4.50
         HA     36 HES  QM8     6.60
         HB     61 LEU  HN      3.90
         HB     63 ILE  QG2     7.00
         HB     85 ALA  HA      5.10
         HB     85 ALA  QB      4.70
         QG2    61 LEU  HN      7.00
         QG2    61 LEU  HA      7.00
         QG2    64 ILE  HN      7.00
         QG2    64 ILE  QG1     7.48
         QG2    64 ILE  QD1     6.60
         QG2    85 ALA  HA      7.00
         QG2    85 ALA  QB      6.60
         QG2    88 LEU  HB2     5.20
         QG2    88 LEU  HB3     5.60
         QG2    88 LEU  HG      7.00
         QG2    36 HES  QM8     7.00
         QG2    36 HES  HDM     7.00
         QG2    36 HES  QM1     6.00
         QG1    61 LEU  HN      6.20
         QG1    63 ILE  QG2     8.00
         QG1    85 ALA  HA      5.30
         QG1    36 HES  QM8     7.10
         QD1    88 LEU  HB2     6.20
         QD1    88 LEU  HB3     7.00
         QD1    36 HES  QM8     7.00
 61 LEU  
         HN     61 LEU  HB2     3.50
         HN     61 LEU  HB3     3.70
         HN     61 LEU  HG      6.00
         HN     61 LEU  QD1     6.20
         HN     61 LEU  QD2     6.50
         HN     62 ASP  HN      4.50
         HN     63 ILE  HN      5.90
         HN     85 ALA  HA      5.60
         HN     85 ALA  QB      5.40
         HA     61 LEU  QD1     4.20
         HA     61 LEU  QD2     7.00
         HA     63 ILE  HN      6.00
         HA     64 ILE  HN      4.30
         HA     64 ILE  QG2     7.00
         HA     64 ILE  QG1     6.88
         HB2    62 ASP  HN      4.60
         HB2    63 ILE  HN      5.60
         HB2    64 ILE  HN      6.00
         HB2    82 GLU  HA      5.20
         HB2    85 ALA  QB      4.60
         HB3    62 ASP  HN      3.80
         HG     62 ASP  HN      5.60
         HG     62 ASP  HA      3.90
         HG     65 LEU  HG      3.80
         HG     65 LEU  QD1     5.60
         HG     81 ALA  QB      6.90
         QD1    62 ASP  HN      7.00
         QD1    65 LEU  QD1     7.20
         QD1    81 ALA  QB      6.00
         QD1    82 GLU  HN      6.50
         QD1    82 GLU  HA      5.40
         QD1    82 GLU  HB2     6.90
         QD1    82 GLU  HB3     7.00
         QD1    82 GLU  HG2     6.30
         QD1    82 GLU  HG3     6.30
         QD1    82 GLU  QG      5.94
         QD1    85 ALA  HN      7.00
         QD1    85 ALA  QB      6.10
         QD2    62 ASP  HA      6.00
         QD2    81 ALA  QB      6.30
         QD2    82 GLU  HA      6.40
         QD2    82 GLU  HB2     6.80
         QD2    82 GLU  QG      5.78
 62 ASP  
         HN     62 ASP  HB2     3.50
         HN     62 ASP  HB3     3.70
         HN     63 ILE  HN      3.70
         HA     64 ILE  HN      4.60
         HA     65 LEU  HN      4.70
         HA     65 LEU  HB2     4.60
         HA     65 LEU  HB3     4.60
         HA     65 LEU  QB      3.99
         HA     65 LEU  HG      5.10
         HA     65 LEU  QD1     7.00
         HA     66 ASN  HN      5.80
         HA     66 ASN  HND1    5.60
         HA     66 ASN  HND2    5.30
         HB2    63 ILE  HN      4.70
         HB2    63 ILE  HB      6.00
         HB3    66 ASN  HND2    6.00
 63 ILE  
         HN     63 ILE  HB      3.30
         HN     63 ILE  HG12    5.50
         HN     63 ILE  HG13    5.50
         HN     63 ILE  QG1     4.95
         HN     63 ILE  QD1     5.30
         HN     64 ILE  HN      3.90
         HN     64 ILE  QG1     4.98
         HN     64 ILE  QD1     7.00
         HN     65 LEU  HN      5.80
         HN     65 LEU  HG      6.00
         HA     63 ILE  QG1     3.80
         HA     63 ILE  QD1     4.60
         HA     65 LEU  HN      6.00
         HA     66 ASN  HN      5.00
         HA     66 ASN  HB2     3.20
         HA     66 ASN  HB3     4.10
         HA     66 ASN  HND1    6.00
         HA     67 GLY  HN      4.50
         HA     68 GLN  HB2     6.00
         HA     71 MES  QE      7.00
         HB     63 ILE  QD1     3.70
         HB     64 ILE  HN      4.00
         QG2    64 ILE  HN      6.80
         QG2    64 ILE  HA      7.00
         QG2    64 ILE  QG2     8.00
         QG2    64 ILE  QG1     7.88
         QG2    64 ILE  QD1     8.00
         QG2    65 LEU  HN      7.00
         QG2    68 GLN  HB2     6.40
         QG2    68 GLN  HB3     6.30
         QG2    68 GLN  HNE1    7.00
         QG2    71 MES  QE      6.20
         QG2    36 HES  HAP71    7.00
         QG2    36 HES  HAP72    7.00
         QG2    36 HES  QM8     6.30
         QG2    36 HES  HDM     7.00
         QG2    36 HES  HGM     7.00
         QG1    64 ILE  HN      6.88
         QG1    68 GLN  HB2     6.58
         QG1    68 GLN  HNE1    6.88
         QG1    68 GLN  HNE2    6.28
         QG1    36 HES  HAP71    5.58
         QG1    36 HES  HAP72    5.38
         QG1    36 HES  QM8     6.58
         QG1    36 HES  HGM     6.88
         QD1    64 ILE  HN      7.00
         QD1    66 ASN  HB2     7.00
         QD1    66 ASN  HB3     7.00
         QD1    68 GLN  HB2     6.40
         QD1    68 GLN  HB3     7.00
         QD1    68 GLN  HG2     7.00
         QD1    36 HES  QM8     7.00
 64 ILE  
         HN     64 ILE  HB      3.60
         HN     64 ILE  HG12    5.10
         HN     64 ILE  HG13    5.10
         HN     64 ILE  QD1     5.00
         HN     65 LEU  HN      4.10
         HN     65 LEU  QB      6.38
         HN     65 LEU  HG      5.60
         HN     66 ASN  HN      5.10
         HN     71 MES  QE      7.00
         HA     64 ILE  QG1     3.99
         HA     66 ASN  HN      4.50
         HA     71 MES  QE      5.10
         HB     65 LEU  HN      4.20
         HB     65 LEU  HG      4.70
         HB     71 MES  QE      7.00
         QG2    65 LEU  HN      7.00
         QG2    65 LEU  HA      6.90
         QG2    65 LEU  HG      7.00
         QG2    71 MES  QE      7.70
         QG2    75 ILE  HN      7.00
         QG2    75 ILE  HB      7.00
         QG2    75 ILE  QG2     8.00
         QG2    76 ALA  HN      5.80
         QG2    76 ALA  QB      5.70
         QG2    81 ALA  HA      6.50
         QG2    81 ALA  QB      6.50
         QG2    84 VAL  HB      7.00
         QG2    84 VAL  QQG     9.56
         QG2    36 HES  HDM     7.00
         QG2    36 HES  QM1     7.00
         QG2    36 HES  QT2     5.20
         HG21   36 HES  QM1     7.00
         HG12   65 LEU  HN      6.00
         HG12   36 HES  HDM     6.00
         HG12   36 HES  QM1     7.00
         HG13   65 LEU  HN      6.00
         HG13   36 HES  HDM     6.00
         HG13   36 HES  QM1     7.00
         QG1    65 LEU  HN      5.64
         QG1    71 MES  QE      6.18
         QG1    84 VAL  QQG     9.04
         QG1    85 ALA  QB      7.78
         QG1    36 HES  QM8     7.88
         QG1    36 HES  HDM     5.27
         QG1    36 HES  QM1     6.70
         QG1    36 HES  QT2     6.98
         QD1    65 LEU  HN      7.00
         QD1    71 MES  QE      8.00
         QD1    84 VAL  HB      6.00
         QD1    84 VAL  QG1     6.70
         QD1    84 VAL  QG2     6.70
         QD1    84 VAL  QQG     6.02
         QD1    85 ALA  HN      6.10
         QD1    85 ALA  HA      6.20
         QD1    36 HES  HDM     7.00
         QD1    36 HES  QM1     5.60
         QD1    36 HES  QT2     6.10
 65 LEU  
         HN     65 LEU  QB      3.71
         HN     65 LEU  HG      4.80
         HN     65 LEU  QD1     4.30
         HN     65 LEU  QD2     6.50
         HN     66 ASN  HN      4.00
         HN     67 GLY  HN      5.10
         HA     65 LEU  HG      3.90
         HA     65 LEU  QD1     5.10
         HA     65 LEU  QD2     6.20
         HA     67 GLY  HN      6.00
         HA     73 GLY  QA      6.88
         HA     74 GLY  HN      3.40
         HA     76 ALA  HN      6.00
         HA     81 ALA  QB      6.10
         HB2    66 ASN  HN      4.60
         HB3    66 ASN  HN      4.60
         QB     66 ASN  HN      4.37
         QB     66 ASN  HND1    6.88
         QB     76 ALA  HN      6.88
         HG     66 ASN  HN      5.30
         HG     66 ASN  HND1    6.00
         HG     74 GLY  HN      6.00
         HG     76 ALA  HN      6.00
         HG     77 LYS  HA      4.80
         HG     81 ALA  HN      5.30
         HG     81 ALA  QB      5.30
         QD1    66 ASN  HN      6.80
         QD1    81 ALA  QB      7.80
         QD2    74 GLY  HN      7.00
         QD2    74 GLY  HA1     7.00
         QD2    74 GLY  HA2     7.00
         QD2    76 ALA  HA      7.00
         QD2    77 LYS  HA      7.00
         QD2    77 LYS  QB      6.48
         QD2    77 LYS  QD      8.00
         QD2    78 GLY  HN      7.00
         QD2    81 ALA  HN      7.00
         QD2    81 ALA  QB      6.60
 66 ASN  
         HN     66 ASN  HND1    5.90
         HN     66 ASN  HND2    6.00
         HN     67 GLY  HN      3.70
         HN     67 GLY  HA1     6.00
         HN     67 GLY  HA2     6.00
         HN     67 GLY  QA      5.32
         HA     73 GLY  QA      5.08
         HB2    67 GLY  HN      4.90
 67 GLY  
         HN     68 GLN  HN      6.00
         HN     71 MES  QE      7.00
         HN     73 GLY  HA1     4.10
         HN     73 GLY  HA2     4.10
         HN     73 GLY  QA      3.71
         HA1    71 MES  QE      7.00
         HA1    73 GLY  HN      5.70
         HA1    73 GLY  HA1     6.35
         HA1    73 GLY  HA2     6.35
         HA2    71 MES  QE      7.00
         HA2    73 GLY  HN      5.70
         HA2    73 GLY  HA1     6.35
         HA2    73 GLY  HA2     6.35
         QA     71 MES  HG2     6.88
         QA     73 GLY  HN      5.10
         QA     73 GLY  QA      4.97
 68 GLN  
         HN     68 GLN  HG2     6.00
         HN     68 GLN  HG3     6.00
         HN     69 GLY  HN      6.00
         HN     71 MES  HN      5.50
         HN     71 MES  HB2     4.90
         HN     71 MES  HB3     4.20
         HN     71 MES  HG2     6.00
         HN     71 MES  QE      7.00
         HA     69 GLY  QA      4.58
         HB2    68 GLN  HNE1    6.00
         HB2    69 GLY  HN      6.00
         HB2    36 HES  HBP74    5.00
         HB3    68 GLN  HNE1    6.00
         HG2    69 GLY  QA      6.88
         HG2    36 HES  QA6     5.49
         HG2    36 HES  HBP63    6.00
         HG2    36 HES  HBP64    6.00
         HG3    69 GLY  HN      5.30
         HG3    36 HES  HBP63    5.70
         HNE1   36 HES  HAP71    6.00
         HNE1   36 HES  HAP72    6.00
         HNE1   36 HES  HGM     6.00
         HNE1   36 HES  HBP63    6.00
         HNE1   36 HES  HBP64    6.00
         HNE2   36 HES  HAP71    5.50
         HNE2   36 HES  HAP72    6.00
         HNE2   36 HES  HBP74    6.00
         HNE2   36 HES  HGM     6.00
         HNE2   36 HES  HBP63    6.00
         HNE2   36 HES  HBP64    6.00
 69 GLY  
         HN     70 GLY  HN      6.00
         HA1    36 HES  HBP63    6.00
         HA2    36 HES  HBP63    6.00
         QA     71 MES  HN      6.88
         QA     36 HES  HBP63    5.84
         QA     36 HES  HBP64    6.68
 70 GLY  
         HN     71 MES  HN      4.50
         HN     71 MES  HA      5.30
         HN     36 HES  QM5     7.00
         HN     36 HES  QA6     6.89
         HN     36 HES  HBP63    5.60
         HN     36 HES  HBP64    4.80
         HA2    36 HES  QM5     6.80
 71 MES  
         HN     71 MES  HG2     6.00
         HN     36 HES  QM5     7.00
         HN     36 HES  HBP64    5.10
         HA     71 MES  QE      7.00
         HA     36 HES  QT4     7.00
         HB2    71 MES  QE      7.00
         HB2    36 HES  HBM     6.00
         HB2    36 HES  QM5     7.00
         HB2    36 HES  HGM     6.00
         HB2    36 HES  HBP64    5.80
         HB3    71 MES  QE      7.00
         HG2    75 ILE  QD1     7.00
         HG3    75 ILE  QD1     7.00
         HG3    36 HES  HBM     6.00
         SD     36 HES  FE      2.50
         QE     73 GLY  QA      7.88
         QE     75 ILE  HN      7.00
         QE     75 ILE  HB      7.00
         QE     75 ILE  QG2     8.00
         QE     75 ILE  QG1     7.88
         QE     76 ALA  QB      8.00
         QE     36 HES  QM8     7.00
         QE     36 HES  HDM     7.00
         QE     36 HES  QM1     7.00
         QE     36 HES  HT2A    7.00
         QE     36 HES  QT2     6.80
         QE     36 HES  HAM     7.00
         QE     36 HES  QM3     7.00
 72 PRO  
         HA     73 GLY  HN      3.50
         HA     73 GLY  HA1     6.00
         HA     73 GLY  HA2     6.00
         HA     73 GLY  QA      5.55
         QG     73 GLY  HN      5.50
 73 GLY  
         HN     74 GLY  HN      4.30
         QA     75 ILE  HN      6.88
 74 GLY  
         HN     75 ILE  HN      4.50
         HN     76 ALA  HN      5.60
         HA1    76 ALA  HN      5.80
         HA1    77 LYS  QE      7.00
         HA2    77 LYS  QG      6.80
         HA2    77 LYS  QD      6.80
         HA2    77 LYS  QE      7.00
 75 ILE  
         HN     75 ILE  HB      3.70
         HN     75 ILE  HG12    5.70
         HN     75 ILE  HG13    5.70
         HN     75 ILE  QG1     5.43
         HN     75 ILE  QD1     6.30
         HN     76 ALA  HN      3.90
         HB     76 ALA  HN      4.20
         HB     36 HES  HT2A    6.00
         HB     36 HES  QT2     4.40
         HB     36 HES  HAM     6.00
         QG2    76 ALA  HN      7.00
         QG2    76 ALA  HA      7.00
         QG2    76 ALA  QB      6.60
         QG2    36 HES  HT2A    6.00
         QG2    36 HES  QT2     4.90
         QG2    36 HES  HAM     6.20
         QG2    36 HES  QM3     6.70
         QG1    76 ALA  HN      6.88
         QG1    36 HES  QM3     7.78
         QD1    76 ALA  HN      7.00
         QD1    36 HES  HT2A    6.80
         QD1    36 HES  HAM     6.30
         QD1    36 HES  QM3     5.60
         QD1    36 HES  QT4     6.80
 76 ALA  
         HN     77 LYS  HN      5.60
         HN     81 ALA  QB      6.50
         HN     36 HES  QT2     7.00
         HA     77 LYS  HN      3.20
         HA     77 LYS  QD      7.00
         HA     80 GLU  QB      5.88
         QB     77 LYS  HN      3.90
         QB     77 LYS  HA      5.60
         QB     80 GLU  HA      7.00
         QB     80 GLU  HB2     6.30
         QB     80 GLU  HB3     6.30
         QB     80 GLU  QB      5.90
         QB     80 GLU  HG3     7.00
         QB     81 ALA  HN      6.20
         QB     81 ALA  HA      5.60
         QB     36 HES  QT2     5.10
 77 LYS  
         HN     77 LYS  HB2     3.70
         HN     77 LYS  HB3     3.70
         HN     77 LYS  QG      7.00
         HN     77 LYS  QD      7.00
         HN     80 GLU  HN      4.30
         HN     80 GLU  HB2     4.60
         HN     80 GLU  HB3     4.60
         HN     80 GLU  QB      4.42
         HN     81 ALA  HN      4.60
         HN     81 ALA  QB      4.60
         HA     77 LYS  QD      6.90
         HA     81 ALA  HN      5.80
         HA     81 ALA  QB      4.10
         QB     77 LYS  QE      7.88
         QB     78 GLY  HN      4.98
         QB     81 ALA  HN      6.28
         QB     81 ALA  QB      7.18
 78 GLY  
         HN     79 ALA  HN      5.60
         HN     80 GLU  HN      6.00
         HN     81 ALA  HN      6.00
         HA1    80 GLU  HN      5.60
         HA1    81 ALA  HN      6.00
         HA1    82 GLU  HN      6.00
         HA2    80 GLU  HN      5.60
         HA2    81 ALA  HN      6.00
         HA2    82 GLU  HN      6.00
         QA     81 ALA  HN      5.79
         QA     81 ALA  QB      5.48
         QA     82 GLU  HN      5.15
 79 ALA  
         HN     79 ALA  QB      3.60
         HN     80 GLU  HN      4.40
         HN     81 ALA  HN      6.00
         HA     81 ALA  HN      6.00
         HA     82 GLU  HN      4.30
         HA     82 GLU  HB2     4.10
         HA     82 GLU  HB3     3.80
         HA     82 GLU  QG      6.48
         HA     83 ALA  HN      4.70
         QB     80 GLU  HN      4.00
         QB     80 GLU  HA      5.30
         QB     81 ALA  HN      6.70
 80 GLU  
         HN     80 GLU  QB      3.81
         HN     80 GLU  HG2     5.60
         HN     80 GLU  HG3     4.80
         HN     81 ALA  HN      3.80
         HN     81 ALA  HA      6.00
         HN     81 ALA  QB      5.50
         HN     82 GLU  HN      5.20
         HA     82 GLU  HN      4.70
         HA     83 ALA  HN      4.50
         HA     83 ALA  QB      4.10
         HA     84 VAL  HN      5.50
         HB2    81 ALA  HN      4.20
         HB3    81 ALA  HN      4.20
         QB     81 ALA  HN      4.01
         QB     81 ALA  HA      6.58
 81 ALA  
         HN     81 ALA  QB      3.40
         HN     82 GLU  HN      3.90
         HN     82 GLU  HB2     5.90
         HN     82 GLU  HB3     6.00
         HN     82 GLU  QG      6.88
         HN     83 ALA  HN      4.60
         HA     83 ALA  HN      5.70
         HA     84 VAL  HN      4.60
         HA     84 VAL  HB      4.10
         HA     84 VAL  QG1     7.00
         HA     84 VAL  QG2     7.00
         HA     85 ALA  HN      5.60
         QB     82 GLU  HN      3.80
         QB     82 GLU  HB2     7.00
         QB     82 GLU  QG      7.78
         QB     83 ALA  HN      6.20
 82 GLU  
         HN     82 GLU  HB2     3.50
         HN     82 GLU  HB3     3.70
         HN     82 GLU  HG2     5.90
         HN     82 GLU  HG3     5.90
         HN     82 GLU  QG      5.17
         HN     83 ALA  HN      4.70
         HN     84 VAL  HN      4.40
         HA     84 VAL  HN      6.00
         HA     85 ALA  HN      4.70
         HB2    83 ALA  HN      4.10
         HB3    83 ALA  HN      4.40
         HG2    83 ALA  HN      6.00
         HG3    83 ALA  HN      6.00
         QG     83 ALA  HN      5.74
         QG     85 ALA  QB      7.58
 83 ALA  
         HN     83 ALA  QB      3.40
         HN     84 VAL  HN      3.80
         HN     85 ALA  HN      5.70
         HA     85 ALA  HN      6.00
         HA     86 ALA  HN      4.40
         HA     86 ALA  QB      4.80
         HA     87 TRP  HN      5.30
         QB     84 VAL  HN      3.70
         QB     84 VAL  HA      5.60
 84 VAL  
         HN     84 VAL  HB      3.40
         HN     85 ALA  HN      3.80
         HN     85 ALA  HA      6.00
         HN     86 ALA  HN      5.70
         HA     86 ALA  HN      5.20
         HA     87 TRP  HN      4.50
         HA     87 TRP  HB3     4.20
         HA     87 TRP  HE3     5.40
         HA     88 LEU  HN      5.30
         HB     85 ALA  HN      3.90
         HB     36 HES  QM1     7.00
         QG1    85 ALA  HN      7.00
         QG1    36 HES  HDM     7.00
         QG1    36 HES  QM1     5.80
         QG1    36 HES  QT2     5.80
         QG2    85 ALA  HN      7.00
         QG2    36 HES  HDM     7.00
         QG2    36 HES  QM1     5.80
         QG2    36 HES  QT2     5.80
         QQG    85 ALA  HN      6.52
         QQG    85 ALA  HA      8.56
         QQG    87 TRP  HN      8.56
         QQG    88 LEU  HN      8.56
         QQG    88 LEU  HB2     8.16
         QQG    88 LEU  HG      6.76
         QQG    88 LEU  QQD     8.73
         QQG    36 HES  HDM     6.38
         QQG    36 HES  QM1     5.00
         QQG    36 HES  QT2     5.33
 85 ALA  
         HN     85 ALA  QB      3.40
         HN     86 ALA  HN      4.10
         HN     87 TRP  HN      5.90
         HA     87 TRP  HN      6.00
         HA     88 LEU  HN      5.00
         HA     88 LEU  HB2     4.20
         HA     88 LEU  HB3     4.90
         HA     88 LEU  QQD     6.47
         HA     89 ALA  HN      5.10
         QB     86 ALA  HN      3.80
 86 ALA  
         HN     86 ALA  QB      3.40
         HN     87 TRP  HN      3.50
         HN     88 LEU  HN      5.50
         HA     89 ALA  QB      4.10
         HA     90 GLU  HN      6.00
         QB     87 TRP  HN      3.70
         QB     87 TRP  HB2     7.00
         QB     87 TRP  HB3     7.00
 87 TRP  
         HN     87 TRP  HB2     3.60
         HN     87 TRP  HB3     3.70
         HN     87 TRP  HD      6.00
         HN     88 LEU  HN      3.90
         HN     88 LEU  QQD     8.57
         HN     89 ALA  HN      4.60
         HA     87 TRP  HD      5.40
         HA     87 TRP  HE      6.00
         HA     89 ALA  HN      5.70
         HA     90 GLU  HN      5.40
         HA     90 GLU  HB2     6.00
         HA     90 GLU  HB3     6.00
         HA     90 GLU  QB      5.74
         HB2    88 LEU  HN      4.00
         HB3    88 LEU  HN      4.60
         HB3    88 LEU  HG      6.00
         HB3    88 LEU  QQD     8.57
         HD     90 GLU  QG      6.88
         HE3    88 LEU  HN      4.70
         HE3    88 LEU  HA      5.00
         HE3    88 LEU  HB2     5.20
         HE3    88 LEU  HB3     5.70
         HE3    88 LEU  HG      4.10
         HE3    88 LEU  QD1     6.00
         HE3    88 LEU  QD2     6.00
         HE3    88 LEU  QQD     5.69
         HE     91 LYS  QG      6.88
         HE     91 LYS  QE      7.00
         HZ1    88 LEU  HG      5.60
         HZ1    88 LEU  QD1     6.20
         HZ1    88 LEU  QD2     6.20
         HZ1    88 LEU  QQD     5.90
         HZ1    91 LYS  QG      6.18
         HH2    88 LEU  QQD     8.57
         HH2    91 LYS  QG      6.58
         HH2    91 LYS  QE      7.00
 88 LEU  
         HN     88 LEU  HB2     3.80
         HN     88 LEU  HG      5.30
         HN     88 LEU  QD1     7.00
         HN     88 LEU  QD2     7.00
         HN     88 LEU  QQD     6.23
         HN     89 ALA  HN      4.00
         HN     90 GLU  HN      5.70
         HA     88 LEU  QD1     6.10
         HA     88 LEU  QD2     6.10
         HA     90 GLU  HN      4.90
         HA     91 LYS  HN      4.60
         HA     91 LYS  QG      5.38
         HB2    89 ALA  HN      4.40
         HB3    89 ALA  HN      4.60
         QD1    36 HES  QM1     7.00
         QD2    36 HES  QM1     7.00
         QQD    91 LYS  QB      7.25
         QQD    91 LYS  QD      9.57
         QQD    36 HES  QM8     8.57
         QQD    36 HES  QM1     6.10
 89 ALA  
         HN     89 ALA  QB      3.40
         HN     90 GLU  HN      4.20
         HN     90 GLU  QB      5.48
         HN     91 LYS  HN      5.30
         HN     91 LYS  QB      5.08
         HA     91 LYS  HN      5.30
         QB     90 GLU  HN      4.30
         QB     90 GLU  QB      7.88
         QB     92 LYS  QE      8.00
 90 GLU  
         HN     90 GLU  QB      3.86
         HN     90 GLU  HG2     5.60
         HN     90 GLU  HG3     5.60
         HN     91 LYS  HN      3.70
         HN     91 LYS  HA      6.00
         HN     91 LYS  QB      6.48
         HA     92 LYS  HN      6.00
         HA     92 LYS  QG      7.00
         HA     92 LYS  QD      7.00
         HA     92 LYS  QE      6.90
         QG     92 LYS  QE      6.58
 91 LYS  
         HN     91 LYS  HB2     4.10
         HN     91 LYS  HB3     4.10
         HN     91 LYS  QB      3.85
         HN     91 LYS  HG2     6.00
         HN     91 LYS  HG3     6.00
         HN     91 LYS  QG      5.45
         HN     91 LYS  QD      7.00
         HN     91 LYS  QE      7.00
         HN     92 LYS  HN      6.00
         HN     92 LYS  QD      6.50
         HA     91 LYS  QD      7.00
         HB2    92 LYS  HN      5.40
         HB3    92 LYS  HN      5.40
         QB     92 LYS  HN      4.94
         QG     92 LYS  HN      6.48
         QE     92 LYS  QB      6.18
 92 LYS  
         HN     92 LYS  QG      7.00
         HN     92 LYS  QD      6.80
         HN     92 LYS  QE      7.00
         HA     92 LYS  QD      6.30
         HA     92 LYS  QE      7.00
         HB2    92 LYS  QE      7.00
         HB3    92 LYS  QE      7.00
         QB     92 LYS  QE      6.80
 36 HES  
         HAP72   36 HES  HAP61    6.00
         HAP72   36 HES  HAP62    6.00
         HAP72   36 HES  QA6     5.83
         HBP73   36 HES  HGM     4.80
         HBP73   36 HES  QA6     6.89
         HBP74   36 HES  HGM     5.60
         QM8    36 HES  QM1     5.50
         QM1    36 HES  HT2A    7.00
         QM1    36 HES  QT2     4.20
         HT2A   36 HES  HAM     3.80
         HT2A   36 HES  QM3     5.80
         QT2    36 HES  HAM     5.40
         QT2    36 HES  QM3     7.00
         QM3    36 HES  HT4A    7.00
         QM3    36 HES  QT4     4.80
         HT4A   36 HES  HBM     3.70
         HT4A   36 HES  QM5     5.50
         QT4    36 HES  HBM     5.20
         QM5    36 HES  HAP61    5.80
         QM5    36 HES  HAP62    5.80
         QM5    36 HES  QA6     5.44
         QM5    36 HES  HBP64    5.30
         HGM    36 HES  HBP63    5.20
         HGM    36 HES  HBP64    6.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    VAL  22          1H        VAL  22 -14.046   4.300   0.484
    2   2H    VAL  22          2H        VAL  22 -12.694   4.357   1.425
    3   3H    VAL  22          3H        VAL  22 -13.551   5.781   1.113
    4    HA   VAL  22           HA       VAL  22 -13.171   5.349  -1.221
    5    HB   VAL  22           HB       VAL  22 -10.460   5.361   0.166
    6   1HG1  VAL  22          1HG1      VAL  22 -10.620   5.220  -2.351
    7   2HG1  VAL  22          2HG1      VAL  22 -11.551   6.728  -2.349
    8   3HG1  VAL  22          3HG1      VAL  22  -9.871   6.719  -1.800
    9   1HG2  VAL  22          1HG2      VAL  22 -12.392   7.705  -0.176
   10   2HG2  VAL  22          2HG2      VAL  22 -11.784   7.045   1.362
   11   3HG2  VAL  22          3HG2      VAL  22 -10.674   7.846   0.246
   12    H    ASP  23           H        ASP  23 -12.839   3.785  -2.527
   13    HA   ASP  23           HA       ASP  23 -12.681   1.063  -1.785
   14   1HB   ASP  23          1HB       ASP  23 -13.789   1.757  -3.825
   15   2HB   ASP  23          2HB       ASP  23 -12.284   2.388  -4.492
   16    H    ALA  24           H        ALA  24 -10.963   0.358  -0.761
   17    HA   ALA  24           HA       ALA  24  -8.393   1.359  -0.805
   18   1HB   ALA  24          1HB       ALA  24  -9.358  -0.181   0.929
   19   2HB   ALA  24          2HB       ALA  24  -9.240  -1.504  -0.240
   20   3HB   ALA  24          3HB       ALA  24  -7.763  -0.671   0.318
   21    H    GLU  25           H        GLU  25  -9.786  -1.320  -2.789
   22    HA   GLU  25           HA       GLU  25  -7.134  -2.093  -3.696
   23   1HB   GLU  25          1HB       GLU  25  -8.009  -3.883  -4.619
   24   2HB   GLU  25          2HB       GLU  25  -9.401  -3.535  -3.595
   25   1HG   GLU  25          1HG       GLU  25 -10.528  -2.481  -5.523
   26   2HG   GLU  25          2HG       GLU  25  -9.082  -2.746  -6.542
   27    H    ALA  26           H        ALA  26  -9.915  -0.169  -4.955
   28    HA   ALA  26           HA       ALA  26  -8.763   0.500  -7.444
   29   1HB   ALA  26          1HB       ALA  26 -10.469   2.327  -5.738
   30   2HB   ALA  26          2HB       ALA  26 -10.200   2.441  -7.483
   31   3HB   ALA  26          3HB       ALA  26 -11.088   1.052  -6.825
   32    H    VAL  27           H        VAL  27  -8.426   2.246  -4.303
   33    HA   VAL  27           HA       VAL  27  -6.545   4.260  -5.135
   34    HB   VAL  27           HB       VAL  27  -6.757   2.765  -2.490
   35   1HG1  VAL  27          1HG1      VAL  27  -4.513   3.777  -2.673
   36   2HG1  VAL  27          2HG1      VAL  27  -5.227   5.306  -3.227
   37   3HG1  VAL  27          3HG1      VAL  27  -5.516   4.737  -1.576
   38   1HG2  VAL  27          1HG2      VAL  27  -7.665   5.584  -3.205
   39   2HG2  VAL  27          2HG2      VAL  27  -8.750   4.194  -3.253
   40   3HG2  VAL  27          3HG2      VAL  27  -8.000   4.662  -1.719
   41    H    VAL  28           H        VAL  28  -5.854   0.827  -3.960
   42    HA   VAL  28           HA       VAL  28  -3.152   1.470  -4.326
   43    HB   VAL  28           HB       VAL  28  -4.576  -1.145  -3.821
   44   1HG1  VAL  28          1HG1      VAL  28  -2.490  -1.767  -4.817
   45   2HG1  VAL  28          2HG1      VAL  28  -1.612  -0.485  -3.956
   46   3HG1  VAL  28          3HG1      VAL  28  -2.194  -1.858  -3.075
   47   1HG2  VAL  28          1HG2      VAL  28  -2.880   0.719  -2.088
   48   2HG2  VAL  28          2HG2      VAL  28  -4.639   0.834  -2.152
   49   3HG2  VAL  28          3HG2      VAL  28  -3.907  -0.591  -1.523
   50    H    GLN  29           H        GLN  29  -5.366  -0.190  -6.331
   51    HA   GLN  29           HA       GLN  29  -3.799  -0.745  -8.636
   52   1HB   GLN  29          1HB       GLN  29  -6.771  -0.465  -8.113
   53   2HB   GLN  29          2HB       GLN  29  -6.154  -0.973  -9.655
   54   1HG   GLN  29          1HG       GLN  29  -5.566  -2.444  -7.059
   55   2HG   GLN  29          2HG       GLN  29  -6.788  -2.900  -8.249
   56   1HE2  GLN  29          1HE2      GLN  29  -3.995  -4.070  -7.262
   57   2HE2  GLN  29          2HE2      GLN  29  -3.159  -4.374  -8.782
   58    H    GLN  30           H        GLN  30  -4.549   2.352  -7.440
   59    HA   GLN  30           HA       GLN  30  -3.687   3.309 -10.119
   60   1HB   GLN  30          1HB       GLN  30  -6.340   3.634  -9.176
   61   2HB   GLN  30          2HB       GLN  30  -5.564   5.197  -8.907
   62   1HG   GLN  30          1HG       GLN  30  -4.718   5.024 -11.337
   63   2HG   GLN  30          2HG       GLN  30  -5.750   3.591 -11.495
   64   1HE2  GLN  30          1HE2      GLN  30  -5.791   7.072 -10.619
   65   2HE2  GLN  30          2HE2      GLN  30  -7.435   7.355 -11.186
   66    H    LYS  31           H        LYS  31  -3.107   3.501  -6.790
   67    HA   LYS  31           HA       LYS  31  -1.575   6.037  -7.128
   68   1HB   LYS  31          1HB       LYS  31  -3.471   5.127  -5.111
   69   2HB   LYS  31          2HB       LYS  31  -1.919   5.268  -4.377
   70   1HG   LYS  31          1HG       LYS  31  -2.848   7.374  -4.088
   71   2HG   LYS  31          2HG       LYS  31  -1.858   7.646  -5.534
   72   1HD   LYS  31          1HD       LYS  31  -3.871   7.275  -6.958
   73   2HD   LYS  31          2HD       LYS  31  -4.830   6.942  -5.499
   74   1HE   LYS  31          1HE       LYS  31  -4.205   9.266  -4.647
   75   2HE   LYS  31          2HE       LYS  31  -3.482   9.586  -6.231
   76   1HZ   LYS  31          1HZ       LYS  31  -5.715  10.411  -6.093
   77   2HZ   LYS  31          2HZ       LYS  31  -5.670   9.191  -7.197
   78   3HZ   LYS  31          3HZ       LYS  31  -6.312   8.934  -5.700
   79    H    CYS  32           H        CYS  32  -1.332   2.577  -6.403
   80    HA   CYS  32           HA       CYS  32   1.477   2.981  -5.476
   81   1HB   CYS  32          1HB       CYS  32  -0.166   0.540  -5.079
   82   2HB   CYS  32          2HB       CYS  32   1.185   1.087  -4.108
   83    H    ILE  33           H        ILE  33  -0.610   0.916  -7.551
   84    HA   ILE  33           HA       ILE  33   1.322  -0.779  -8.561
   85    HB   ILE  33           HB       ILE  33   0.029  -0.923 -10.617
   86   1HG1  ILE  33          1HG1      ILE  33  -1.921   1.133  -9.549
   87   2HG1  ILE  33          2HG1      ILE  33  -0.657   1.560 -10.699
   88   1HG2  ILE  33          1HG2      ILE  33  -1.647  -0.953  -8.084
   89   2HG2  ILE  33          2HG2      ILE  33  -2.036  -1.806  -9.597
   90   3HG2  ILE  33          3HG2      ILE  33  -0.608  -2.232  -8.675
   91   1HD1  ILE  33          1HD1      ILE  33  -2.806  -0.502 -11.250
   92   2HD1  ILE  33          2HD1      ILE  33  -2.640   1.118 -11.952
   93   3HD1  ILE  33          3HD1      ILE  33  -1.430  -0.122 -12.307
   94    H    SER  34           H        SER  34   0.855   2.625  -9.361
   95    HA   SER  34           HA       SER  34   2.302   3.132 -11.553
   96   1HB   SER  34          1HB       SER  34   2.500   4.552  -8.863
   97   2HB   SER  34          2HB       SER  34   2.950   5.243 -10.437
   98    HG   SER  34           HG       SER  34   0.830   5.825 -10.082
   99    H    CYS  35           H        CYS  35   3.708   2.109  -8.419
  100    HA   CYS  35           HA       CYS  35   6.344   1.848  -9.813
  101   1HB   CYS  35          1HB       CYS  35   6.178   2.209  -6.819
  102   2HB   CYS  35          2HB       CYS  35   7.535   2.402  -7.910
  103    H    HIS  36           H        HIS  36   4.121   0.478  -7.332
  104    HA   HIS  36           HA       HIS  36   5.732  -1.875  -6.951
  105   1HB   HIS  36          1HB       HIS  36   2.891  -1.142  -6.227
  106   2HB   HIS  36          2HB       HIS  36   3.639  -2.686  -5.797
  107    HD1  HIS  36           1HD      HIS  36   5.707  -2.636  -4.049
  108    HD2  HIS  36           2HD      HIS  36   3.675   1.012  -4.703
  109    HE1  HIS  36           1HE      HIS  36   6.358  -1.070  -2.154
  110    H    GLY  37           H        GLY  37   3.583  -1.081  -9.550
  111   1HA   GLY  37          1HA       GLY  37   3.457  -2.291 -11.522
  112   2HA   GLY  37          2HA       GLY  37   3.999  -3.775 -10.717
  113    H    GLY  38           H        GLY  38   1.680  -3.576 -12.427
  114   1HA   GLY  38          1HA       GLY  38  -0.779  -3.001 -11.487
  115   2HA   GLY  38          2HA       GLY  38  -0.464  -4.404 -12.507
  116    H    ASP  39           H        ASP  39   0.628  -6.294 -11.029
  117    HA   ASP  39           HA       ASP  39  -1.471  -7.026  -9.128
  118   1HB   ASP  39          1HB       ASP  39   0.884  -8.439 -10.410
  119   2HB   ASP  39          2HB       ASP  39   0.052  -9.143  -9.018
  120    H    LEU  40           H        LEU  40   1.136  -5.062  -8.656
  121    HA   LEU  40           HA       LEU  40   2.413  -4.427  -6.880
  122   1HB   LEU  40          1HB       LEU  40   0.268  -5.790  -5.234
  123   2HB   LEU  40          2HB       LEU  40   1.423  -4.568  -4.707
  124    HG   LEU  40           HG       LEU  40   0.139  -3.591  -7.122
  125   1HD1  LEU  40          1HD1      LEU  40  -1.816  -4.470  -4.977
  126   2HD1  LEU  40          2HD1      LEU  40  -2.169  -3.415  -6.365
  127   3HD1  LEU  40          3HD1      LEU  40  -1.718  -5.111  -6.631
  128   1HD2  LEU  40          1HD2      LEU  40   1.194  -2.286  -5.250
  129   2HD2  LEU  40          2HD2      LEU  40  -0.350  -1.692  -5.883
  130   3HD2  LEU  40          3HD2      LEU  40  -0.311  -2.602  -4.355
  131    H    THR  41           H        THR  41   2.916  -6.943  -8.240
  132    HA   THR  41           HA       THR  41   4.209  -8.779  -6.449
  133    HB   THR  41           HB       THR  41   5.005  -9.472  -8.894
  134    HG1  THR  41           1HG      THR  41   3.493  -8.600 -10.432
  135   1HG2  THR  41          1HG2      THR  41   2.097  -9.516  -7.961
  136   2HG2  THR  41          2HG2      THR  41   2.727 -10.488  -9.308
  137   3HG2  THR  41          3HG2      THR  41   3.335 -10.748  -7.662
  138    H    GLY  42           H        GLY  42   5.023  -5.635  -7.707
  139   1HA   GLY  42          1HA       GLY  42   6.729  -4.549  -6.673
  140   2HA   GLY  42          2HA       GLY  42   7.681  -6.028  -6.476
  141    H    ALA  43           H        ALA  43   6.520  -3.706  -8.907
  142    HA   ALA  43           HA       ALA  43   8.517  -4.554 -10.888
  143   1HB   ALA  43          1HB       ALA  43   6.495  -2.285 -10.886
  144   2HB   ALA  43          2HB       ALA  43   7.590  -2.677 -12.230
  145   3HB   ALA  43          3HB       ALA  43   6.381  -3.856 -11.690
  146    H    SER  44           H        SER  44   7.990  -1.168  -9.907
  147    HA   SER  44           HA       SER  44  10.921  -0.680  -9.858
  148   1HB   SER  44          1HB       SER  44   8.536   1.202  -9.833
  149   2HB   SER  44          2HB       SER  44  10.231   1.704  -9.823
  150    HG   SER  44           HG       SER  44   9.141  -0.007 -11.809
  151    H    ALA  45           H        ALA  45   8.799  -1.837  -7.666
  152    HA   ALA  45           HA       ALA  45  10.128  -0.684  -5.317
  153   1HB   ALA  45          1HB       ALA  45   7.113  -0.661  -5.805
  154   2HB   ALA  45          2HB       ALA  45   7.906  -0.209  -4.296
  155   3HB   ALA  45          3HB       ALA  45   8.139   0.768  -5.754
  156    HA   PRO  46           HA       PRO  46   9.812  -4.990  -4.399
  157   1HB   PRO  46          1HB       PRO  46   9.325  -5.200  -1.693
  158   2HB   PRO  46          2HB       PRO  46  10.871  -4.605  -2.368
  159   1HG   PRO  46          1HG       PRO  46   8.493  -2.963  -1.480
  160   2HG   PRO  46          2HG       PRO  46  10.194  -2.781  -0.948
  161   1HD   PRO  46          1HD       PRO  46   9.186  -1.241  -2.918
  162   2HD   PRO  46          2HD       PRO  46  10.821  -1.930  -3.133
  163    H    ALA  47           H        ALA  47   8.384  -6.762  -3.644
  164    HA   ALA  47           HA       ALA  47   5.739  -6.433  -4.648
  165   1HB   ALA  47          1HB       ALA  47   6.869  -8.694  -2.933
  166   2HB   ALA  47          2HB       ALA  47   5.449  -8.767  -3.998
  167   3HB   ALA  47          3HB       ALA  47   7.076  -8.571  -4.684
  168    H    ILE  48           H        ILE  48   4.007  -5.565  -3.585
  169    HA   ILE  48           HA       ILE  48   3.913  -5.909  -0.622
  170    HB   ILE  48           HB       ILE  48   2.677  -3.869  -0.305
  171   1HG1  ILE  48          1HG1      ILE  48   3.210  -2.011  -2.067
  172   2HG1  ILE  48          2HG1      ILE  48   3.251  -3.327  -3.229
  173   1HG2  ILE  48          1HG2      ILE  48   5.358  -3.399  -1.541
  174   2HG2  ILE  48          2HG2      ILE  48   4.472  -2.420  -0.326
  175   3HG2  ILE  48          3HG2      ILE  48   5.053  -4.033   0.112
  176   1HD1  ILE  48          1HD1      ILE  48   0.854  -3.805  -2.610
  177   2HD1  ILE  48          2HD1      ILE  48   1.015  -2.709  -1.221
  178   3HD1  ILE  48          3HD1      ILE  48   1.053  -2.032  -2.835
  179    H    ASP  49           H        ASP  49   2.491  -7.008  -3.440
  180    HA   ASP  49           HA       ASP  49  -0.181  -7.077  -2.609
  181   1HB   ASP  49          1HB       ASP  49  -0.491  -8.408  -4.347
  182   2HB   ASP  49          2HB       ASP  49   1.218  -8.211  -4.705
  183    H    LYS  50           H        LYS  50   2.542  -8.840  -1.285
  184    HA   LYS  50           HA       LYS  50   0.805 -10.184   0.733
  185   1HB   LYS  50          1HB       LYS  50   3.206 -11.088  -0.716
  186   2HB   LYS  50          2HB       LYS  50   3.356 -11.254   1.023
  187   1HG   LYS  50          1HG       LYS  50   2.474 -13.267   0.227
  188   2HG   LYS  50          2HG       LYS  50   1.177 -12.487   1.129
  189   1HD   LYS  50          1HD       LYS  50   1.288 -11.883  -1.786
  190   2HD   LYS  50          2HD       LYS  50   1.004 -13.570  -1.455
  191   1HE   LYS  50          1HE       LYS  50  -0.732 -11.331  -0.271
  192   2HE   LYS  50          2HE       LYS  50  -1.029 -12.084  -1.832
  193   1HZ   LYS  50          1HZ       LYS  50  -2.346 -13.035  -0.120
  194   2HZ   LYS  50          2HZ       LYS  50  -1.324 -14.188  -0.725
  195   3HZ   LYS  50          3HZ       LYS  50  -1.089 -13.508   0.750
  196    H    ALA  51           H        ALA  51   2.104  -7.274   0.590
  197    HA   ALA  51           HA       ALA  51   3.776  -7.189   2.908
  198   1HB   ALA  51          1HB       ALA  51   3.087  -4.791   3.048
  199   2HB   ALA  51          2HB       ALA  51   3.803  -5.325   1.519
  200   3HB   ALA  51          3HB       ALA  51   2.052  -5.079   1.634
  201    H    GLY  52           H        GLY  52   0.132  -7.377   2.633
  202   1HA   GLY  52          1HA       GLY  52  -0.401  -6.918   5.362
  203   2HA   GLY  52          2HA       GLY  52  -1.297  -7.972   4.250
  204    H    ALA  53           H        ALA  53   1.101  -9.723   3.786
  205    HA   ALA  53           HA       ALA  53   0.605 -11.550   6.039
  206   1HB   ALA  53          1HB       ALA  53   2.535 -11.881   3.700
  207   2HB   ALA  53          2HB       ALA  53   1.920 -13.126   4.796
  208   3HB   ALA  53          3HB       ALA  53   0.830 -12.355   3.633
  209    H    ASN  54           H        ASN  54   3.202  -9.588   4.626
  210    HA   ASN  54           HA       ASN  54   5.233 -10.492   6.477
  211   1HB   ASN  54          1HB       ASN  54   5.152  -8.066   4.629
  212   2HB   ASN  54          2HB       ASN  54   6.556  -8.592   5.556
  213   1HD2  ASN  54          1HD2      ASN  54   4.461  -9.448   2.781
  214   2HD2  ASN  54          2HD2      ASN  54   5.647 -10.551   2.106
  215    H    TYR  55           H        TYR  55   3.172  -7.582   6.316
  216    HA   TYR  55           HA       TYR  55   4.146  -6.622   8.966
  217   1HB   TYR  55          1HB       TYR  55   3.419  -4.943   6.544
  218   2HB   TYR  55          2HB       TYR  55   4.100  -4.376   8.068
  219    HD1  TYR  55           1HD      TYR  55   5.039  -3.897   5.124
  220    HD2  TYR  55           2HD      TYR  55   6.371  -6.459   8.330
  221    HE1  TYR  55           1HE      TYR  55   7.329  -3.950   4.154
  222    HE2  TYR  55           2HE      TYR  55   8.602  -6.589   7.303
  223    HH   TYR  55           HH       TYR  55   9.971  -5.870   5.587
  224    H    SER  56           H        SER  56   2.558  -5.093   9.946
  225    HA   SER  56           HA       SER  56  -0.217  -6.107   9.558
  226   1HB   SER  56          1HB       SER  56   1.187  -4.631  11.816
  227   2HB   SER  56          2HB       SER  56  -0.561  -4.912  11.781
  228    HG   SER  56           HG       SER  56   0.564  -6.515  12.908
  229    H    GLU  57           H        GLU  57  -2.004  -4.510   9.693
  230    HA   GLU  57           HA       GLU  57  -1.817  -2.568   7.727
  231   1HB   GLU  57          1HB       GLU  57  -3.938  -1.657   8.592
  232   2HB   GLU  57          2HB       GLU  57  -3.976  -3.397   8.365
  233   1HG   GLU  57          1HG       GLU  57  -3.668  -3.718  10.829
  234   2HG   GLU  57          2HG       GLU  57  -3.658  -1.953  11.033
  235    H    GLU  58           H        GLU  58  -1.311  -2.101  11.255
  236    HA   GLU  58           HA       GLU  58  -0.995   0.657  11.327
  237   1HB   GLU  58          1HB       GLU  58   0.403   0.239  13.326
  238   2HB   GLU  58          2HB       GLU  58  -1.059  -0.744  13.279
  239   1HG   GLU  58          1HG       GLU  58   0.600  -2.535  12.150
  240   2HG   GLU  58          2HG       GLU  58   1.806  -1.589  13.040
  241    H    GLU  59           H        GLU  59   1.676  -1.678  10.753
  242    HA   GLU  59           HA       GLU  59   3.753   0.137  10.231
  243   1HB   GLU  59          1HB       GLU  59   3.157  -2.637   9.116
  244   2HB   GLU  59          2HB       GLU  59   4.722  -1.850   8.947
  245   1HG   GLU  59          1HG       GLU  59   3.516  -2.382  11.695
  246   2HG   GLU  59          2HG       GLU  59   4.457  -3.584  10.811
  247    H    ILE  60           H        ILE  60   1.441  -1.410   8.013
  248    HA   ILE  60           HA       ILE  60   2.672  -0.385   5.616
  249    HB   ILE  60           HB       ILE  60  -0.148  -1.392   6.030
  250   1HG1  ILE  60          1HG1      ILE  60   2.277  -2.959   5.034
  251   2HG1  ILE  60          2HG1      ILE  60   1.720  -3.013   6.696
  252   1HG2  ILE  60          1HG2      ILE  60  -0.495  -1.291   3.798
  253   2HG2  ILE  60          2HG2      ILE  60   0.890  -0.185   3.732
  254   3HG2  ILE  60          3HG2      ILE  60   1.114  -1.896   3.400
  255   1HD1  ILE  60          1HD1      ILE  60   0.246  -4.015   4.273
  256   2HD1  ILE  60          2HD1      ILE  60   0.807  -4.908   5.696
  257   3HD1  ILE  60          3HD1      ILE  60  -0.547  -3.777   5.854
  258    H    LEU  61           H        LEU  61  -0.128   0.594   7.567
  259    HA   LEU  61           HA       LEU  61  -1.105   2.812   6.166
  260   1HB   LEU  61          1HB       LEU  61  -2.187   1.737   8.078
  261   2HB   LEU  61          2HB       LEU  61  -0.944   2.313   9.171
  262    HG   LEU  61           HG       LEU  61  -1.614   4.630   8.823
  263   1HD1  LEU  61          1HD1      LEU  61  -2.358   4.619   6.525
  264   2HD1  LEU  61          2HD1      LEU  61  -3.608   3.407   6.889
  265   3HD1  LEU  61          3HD1      LEU  61  -3.757   5.068   7.510
  266   1HD2  LEU  61          1HD2      LEU  61  -3.991   2.805   9.383
  267   2HD2  LEU  61          2HD2      LEU  61  -2.754   3.298  10.562
  268   3HD2  LEU  61          3HD2      LEU  61  -3.844   4.510   9.861
  269    H    ASP  62           H        ASP  62   1.320   2.677   8.823
  270    HA   ASP  62           HA       ASP  62   1.895   5.471   8.656
  271   1HB   ASP  62          1HB       ASP  62   2.981   3.214  10.146
  272   2HB   ASP  62          2HB       ASP  62   4.291   4.201   9.496
  273    H    ILE  63           H        ILE  63   3.303   2.648   6.940
  274    HA   ILE  63           HA       ILE  63   5.361   4.215   5.656
  275    HB   ILE  63           HB       ILE  63   4.121   1.509   5.159
  276   1HG1  ILE  63          1HG1      ILE  63   7.005   2.403   5.569
  277   2HG1  ILE  63          2HG1      ILE  63   5.898   2.036   6.900
  278   1HG2  ILE  63          1HG2      ILE  63   4.359   2.189   2.903
  279   2HG2  ILE  63          2HG2      ILE  63   5.927   2.985   3.211
  280   3HG2  ILE  63          3HG2      ILE  63   5.783   1.230   3.282
  281   1HD1  ILE  63          1HD1      ILE  63   7.228   0.090   6.517
  282   2HD1  ILE  63          2HD1      ILE  63   5.579  -0.272   5.967
  283   3HD1  ILE  63          3HD1      ILE  63   6.869   0.076   4.790
  284    H    ILE  64           H        ILE  64   1.998   3.502   4.674
  285    HA   ILE  64           HA       ILE  64   2.156   4.747   2.102
  286    HB   ILE  64           HB       ILE  64  -0.152   4.353   4.038
  287   1HG1  ILE  64          1HG1      ILE  64   0.274   2.852   1.465
  288   2HG1  ILE  64          2HG1      ILE  64   1.276   2.390   2.840
  289   1HG2  ILE  64          1HG2      ILE  64  -0.134   5.263   1.138
  290   2HG2  ILE  64          2HG2      ILE  64  -1.574   4.616   1.950
  291   3HG2  ILE  64          3HG2      ILE  64  -0.833   6.114   2.529
  292   1HD1  ILE  64          1HD1      ILE  64  -0.671   1.984   4.236
  293   2HD1  ILE  64          2HD1      ILE  64  -1.758   2.512   2.963
  294   3HD1  ILE  64          3HD1      ILE  64  -0.745   1.047   2.760
  295    H    LEU  65           H        LEU  65   1.257   6.006   5.322
  296    HA   LEU  65           HA       LEU  65   0.773   8.692   4.444
  297   1HB   LEU  65          1HB       LEU  65   1.440   7.488   7.145
  298   2HB   LEU  65          2HB       LEU  65   0.949   9.165   6.929
  299    HG   LEU  65           HG       LEU  65  -0.855   6.883   5.944
  300   1HD1  LEU  65          1HD1      LEU  65  -2.016   7.033   8.103
  301   2HD1  LEU  65          2HD1      LEU  65  -0.334   6.535   8.364
  302   3HD1  LEU  65          3HD1      LEU  65  -0.821   8.206   8.699
  303   1HD2  LEU  65          1HD2      LEU  65  -1.351   9.150   5.134
  304   2HD2  LEU  65          2HD2      LEU  65  -2.588   8.562   6.271
  305   3HD2  LEU  65          3HD2      LEU  65  -1.390   9.757   6.803
  306    H    ASN  66           H        ASN  66   3.700   7.041   5.549
  307    HA   ASN  66           HA       ASN  66   5.206   9.561   5.903
  308   1HB   ASN  66          1HB       ASN  66   5.773   6.643   6.578
  309   2HB   ASN  66          2HB       ASN  66   6.987   7.884   6.693
  310   1HD2  ASN  66          1HD2      ASN  66   3.686   7.196   7.801
  311   2HD2  ASN  66          2HD2      ASN  66   3.972   7.571   9.467
  312    H    GLY  67           H        GLY  67   5.628   6.432   4.176
  313   1HA   GLY  67          1HA       GLY  67   6.552   6.562   1.855
  314   2HA   GLY  67          2HA       GLY  67   7.839   7.575   2.534
  315    H    GLN  68           H        GLN  68   9.126   5.797   1.619
  316    HA   GLN  68           HA       GLN  68  10.245   4.148   3.591
  317   1HB   GLN  68          1HB       GLN  68   8.406   2.350   2.978
  318   2HB   GLN  68          2HB       GLN  68   8.792   2.696   1.316
  319   1HG   GLN  68          1HG       GLN  68   9.757   0.656   2.081
  320   2HG   GLN  68          2HG       GLN  68  11.067   1.752   1.646
  321   1HE2  GLN  68          1HE2      GLN  68  10.619  -0.713   3.462
  322   2HE2  GLN  68          2HE2      GLN  68  11.474  -0.226   4.917
  323    H    GLY  69           H        GLY  69  12.433   4.385   2.890
  324   1HA   GLY  69          1HA       GLY  69  14.190   4.894   1.466
  325   2HA   GLY  69          2HA       GLY  69  13.535   3.536   0.550
  326    H    GLY  70           H        GLY  70  13.028   3.985  -1.609
  327   1HA   GLY  70          1HA       GLY  70  13.249   6.676  -2.634
  328   2HA   GLY  70          2HA       GLY  70  12.848   5.195  -3.511
  329    H    MET  71           H        MET  71  10.554   4.961  -1.309
  330    HA   MET  71           HA       MET  71   8.468   5.829  -3.035
  331   1HB   MET  71          1HB       MET  71   8.448   3.944  -1.364
  332   2HB   MET  71          2HB       MET  71   8.401   5.118  -0.091
  333   1HG   MET  71          1HG       MET  71   6.296   5.883  -0.543
  334   2HG   MET  71          2HG       MET  71   6.182   5.094  -2.111
  335   1HE   MET  71          1HE       MET  71   4.519   5.049   1.006
  336   2HE   MET  71          2HE       MET  71   3.768   4.657  -0.557
  337   3HE   MET  71          3HE       MET  71   3.736   3.473   0.771
  338    HA   PRO  72           HA       PRO  72   8.563  10.099  -1.611
  339   1HB   PRO  72          1HB       PRO  72   6.153  11.029  -2.586
  340   2HB   PRO  72          2HB       PRO  72   7.580  10.699  -3.612
  341   1HG   PRO  72          1HG       PRO  72   5.245   8.853  -3.065
  342   2HG   PRO  72          2HG       PRO  72   5.939   9.292  -4.655
  343   1HD   PRO  72          1HD       PRO  72   6.640   7.002  -3.452
  344   2HD   PRO  72          2HD       PRO  72   7.915   8.014  -4.212
  345    H    GLY  73           H        GLY  73   5.626   8.187  -1.045
  346   1HA   GLY  73          1HA       GLY  73   4.520   7.808   0.964
  347   2HA   GLY  73          2HA       GLY  73   5.586   8.973   1.767
  348    H    GLY  74           H        GLY  74   2.853   8.846   2.229
  349   1HA   GLY  74          1HA       GLY  74   1.099  10.277   2.570
  350   2HA   GLY  74          2HA       GLY  74   2.079  11.601   1.915
  351    H    ILE  75           H        ILE  75   1.742   8.810  -0.060
  352    HA   ILE  75           HA       ILE  75   0.502  10.084  -2.279
  353    HB   ILE  75           HB       ILE  75   1.060   7.211  -1.436
  354   1HG1  ILE  75          1HG1      ILE  75   3.019   8.629  -2.023
  355   2HG1  ILE  75          2HG1      ILE  75   2.809   7.214  -3.052
  356   1HG2  ILE  75          1HG2      ILE  75  -0.240   8.103  -4.008
  357   2HG2  ILE  75          2HG2      ILE  75   0.610   6.552  -3.826
  358   3HG2  ILE  75          3HG2      ILE  75  -0.810   6.896  -2.835
  359   1HD1  ILE  75          1HD1      ILE  75   1.772   8.682  -4.822
  360   2HD1  ILE  75          2HD1      ILE  75   2.133  10.094  -3.801
  361   3HD1  ILE  75          3HD1      ILE  75   3.436   9.092  -4.444
  362    H    ALA  76           H        ALA  76  -0.740   8.333   0.481
  363    HA   ALA  76           HA       ALA  76  -3.550   8.878  -0.261
  364   1HB   ALA  76          1HB       ALA  76  -3.670   6.440   1.022
  365   2HB   ALA  76          2HB       ALA  76  -3.650   6.612  -0.752
  366   3HB   ALA  76          3HB       ALA  76  -2.170   6.235   0.136
  367    H    LYS  77           H        LYS  77  -4.721   9.506   1.700
  368    HA   LYS  77           HA       LYS  77  -3.425   9.109   4.246
  369   1HB   LYS  77          1HB       LYS  77  -3.754  11.537   4.780
  370   2HB   LYS  77          2HB       LYS  77  -2.364  11.119   3.778
  371   1HG   LYS  77          1HG       LYS  77  -4.589  11.766   2.019
  372   2HG   LYS  77          2HG       LYS  77  -4.515  13.009   3.258
  373   1HD   LYS  77          1HD       LYS  77  -2.133  12.035   1.626
  374   2HD   LYS  77          2HD       LYS  77  -3.090  13.459   1.206
  375   1HE   LYS  77          1HE       LYS  77  -2.283  14.753   2.951
  376   2HE   LYS  77          2HE       LYS  77  -1.992  13.384   4.020
  377   1HZ   LYS  77          1HZ       LYS  77  -0.088  12.790   2.762
  378   2HZ   LYS  77          2HZ       LYS  77  -0.336  13.983   1.665
  379   3HZ   LYS  77          3HZ       LYS  77   0.044  14.361   3.226
  380    H    GLY  78           H        GLY  78  -4.813   9.575   6.058
  381   1HA   GLY  78          1HA       GLY  78  -6.791   9.151   7.125
  382   2HA   GLY  78          2HA       GLY  78  -7.557  10.195   5.908
  383    H    ALA  79           H        ALA  79  -9.352   8.969   5.430
  384    HA   ALA  79           HA       ALA  79  -9.783   6.331   5.384
  385   1HB   ALA  79          1HB       ALA  79 -11.517   8.005   4.972
  386   2HB   ALA  79          2HB       ALA  79 -10.887   8.285   3.331
  387   3HB   ALA  79          3HB       ALA  79 -11.586   6.706   3.767
  388    H    GLU  80           H        GLU  80  -8.163   8.061   2.677
  389    HA   GLU  80           HA       GLU  80  -8.027   5.869   0.861
  390   1HB   GLU  80          1HB       GLU  80  -6.619   8.474   1.250
  391   2HB   GLU  80          2HB       GLU  80  -5.615   7.213   0.596
  392   1HG   GLU  80          1HG       GLU  80  -6.263   7.860  -1.378
  393   2HG   GLU  80          2HG       GLU  80  -7.727   6.937  -1.080
  394    H    ALA  81           H        ALA  81  -5.595   6.899   3.377
  395    HA   ALA  81           HA       ALA  81  -3.893   4.663   2.745
  396   1HB   ALA  81          1HB       ALA  81  -2.517   5.481   4.524
  397   2HB   ALA  81          2HB       ALA  81  -3.098   6.856   3.598
  398   3HB   ALA  81          3HB       ALA  81  -3.837   6.493   5.171
  399    H    GLU  82           H        GLU  82  -6.331   5.387   5.241
  400    HA   GLU  82           HA       GLU  82  -5.903   3.133   6.940
  401   1HB   GLU  82          1HB       GLU  82  -8.391   4.757   6.269
  402   2HB   GLU  82          2HB       GLU  82  -8.314   3.564   7.566
  403   1HG   GLU  82          1HG       GLU  82  -6.601   4.822   8.733
  404   2HG   GLU  82          2HG       GLU  82  -6.446   5.978   7.407
  405    H    ALA  83           H        ALA  83  -8.206   3.625   4.213
  406    HA   ALA  83           HA       ALA  83  -9.220   0.991   4.194
  407   1HB   ALA  83          1HB       ALA  83 -10.270   2.936   3.064
  408   2HB   ALA  83          2HB       ALA  83  -8.986   2.899   1.829
  409   3HB   ALA  83          3HB       ALA  83 -10.114   1.539   2.012
  410    H    VAL  84           H        VAL  84  -6.540   2.462   2.243
  411    HA   VAL  84           HA       VAL  84  -5.623   0.194   0.886
  412    HB   VAL  84           HB       VAL  84  -4.026   2.417   2.202
  413   1HG1  VAL  84          1HG1      VAL  84  -2.584   0.397   1.935
  414   2HG1  VAL  84          2HG1      VAL  84  -3.032   0.339   0.239
  415   3HG1  VAL  84          3HG1      VAL  84  -2.140   1.734   0.869
  416   1HG2  VAL  84          1HG2      VAL  84  -4.480   3.639   0.395
  417   2HG2  VAL  84          2HG2      VAL  84  -3.713   2.431  -0.614
  418   3HG2  VAL  84          3HG2      VAL  84  -5.466   2.326  -0.302
  419    H    ALA  85           H        ALA  85  -4.382   1.238   4.135
  420    HA   ALA  85           HA       ALA  85  -2.705  -0.971   4.507
  421   1HB   ALA  85          1HB       ALA  85  -2.647   1.102   5.792
  422   2HB   ALA  85          2HB       ALA  85  -4.157   0.661   6.624
  423   3HB   ALA  85          3HB       ALA  85  -2.700  -0.335   6.832
  424    H    ALA  86           H        ALA  86  -6.093  -0.569   5.680
  425    HA   ALA  86           HA       ALA  86  -6.285  -3.077   6.988
  426   1HB   ALA  86          1HB       ALA  86  -8.452  -1.418   5.628
  427   2HB   ALA  86          2HB       ALA  86  -8.721  -2.734   6.796
  428   3HB   ALA  86          3HB       ALA  86  -7.884  -1.254   7.305
  429    H    TRP  87           H        TRP  87  -7.273  -2.169   3.635
  430    HA   TRP  87           HA       TRP  87  -8.083  -4.750   2.759
  431   1HB   TRP  87          1HB       TRP  87  -8.677  -2.897   1.468
  432   2HB   TRP  87          2HB       TRP  87  -7.019  -2.283   1.472
  433    HD1  TRP  87           HD       TRP  87  -9.174  -4.635  -0.606
  434    HE1  TRP  87           1HE      TRP  87  -7.826  -5.427  -2.615
  435    HE3  TRP  87           3HE      TRP  87  -4.792  -2.263   0.421
  436    HZ2  TRP  87           2HZ      TRP  87  -4.871  -5.184  -3.504
  437    HZ3  TRP  87           3HZ      TRP  87  -2.896  -2.429  -1.127
  438    HH2  TRP  87           HH       TRP  87  -2.912  -4.033  -2.979
  439    H    LEU  88           H        LEU  88  -4.875  -3.186   2.766
  440    HA   LEU  88           HA       LEU  88  -3.535  -5.230   1.336
  441   1HB   LEU  88          1HB       LEU  88  -2.806  -2.775   2.622
  442   2HB   LEU  88          2HB       LEU  88  -1.720  -3.992   3.228
  443    HG   LEU  88           HG       LEU  88  -2.184  -3.995   0.245
  444   1HD1  LEU  88          1HD1      LEU  88  -0.910  -2.270  -0.337
  445   2HD1  LEU  88          2HD1      LEU  88  -2.132  -1.661   0.761
  446   3HD1  LEU  88          3HD1      LEU  88  -0.457  -1.853   1.355
  447   1HD2  LEU  88          1HD2      LEU  88   0.321  -4.234   0.425
  448   2HD2  LEU  88          2HD2      LEU  88  -0.167  -5.057   1.939
  449   3HD2  LEU  88          3HD2      LEU  88  -0.885  -5.543   0.366
  450    H    ALA  89           H        ALA  89  -3.893  -4.688   4.828
  451    HA   ALA  89           HA       ALA  89  -2.621  -7.038   5.798
  452   1HB   ALA  89          1HB       ALA  89  -3.934  -6.737   7.803
  453   2HB   ALA  89          2HB       ALA  89  -3.294  -5.191   7.219
  454   3HB   ALA  89          3HB       ALA  89  -5.011  -5.593   6.978
  455    H    GLU  90           H        GLU  90  -5.944  -6.492   4.617
  456    HA   GLU  90           HA       GLU  90  -6.805  -9.196   5.076
  457   1HB   GLU  90          1HB       GLU  90  -8.192  -7.186   5.103
  458   2HB   GLU  90          2HB       GLU  90  -7.975  -6.966   3.375
  459   1HG   GLU  90          1HG       GLU  90  -9.156  -9.541   4.496
  460   2HG   GLU  90          2HG       GLU  90 -10.145  -8.093   4.276
  461    H    LYS  91           H        LYS  91  -4.848  -7.814   2.543
  462    HA   LYS  91           HA       LYS  91  -5.704  -9.492   0.377
  463   1HB   LYS  91          1HB       LYS  91  -4.136  -7.227   0.790
  464   2HB   LYS  91          2HB       LYS  91  -2.919  -8.375   0.313
  465   1HG   LYS  91          1HG       LYS  91  -5.444  -8.077  -1.362
  466   2HG   LYS  91          2HG       LYS  91  -4.353  -6.711  -1.249
  467   1HD   LYS  91          1HD       LYS  91  -3.893  -8.000  -3.242
  468   2HD   LYS  91          2HD       LYS  91  -2.490  -7.889  -2.171
  469   1HE   LYS  91          1HE       LYS  91  -2.633 -10.124  -1.476
  470   2HE   LYS  91          2HE       LYS  91  -4.333 -10.275  -1.967
  471   1HZ   LYS  91          1HZ       LYS  91  -3.097 -11.430  -3.537
  472   2HZ   LYS  91          2HZ       LYS  91  -3.461 -10.030  -4.308
  473   3HZ   LYS  91          3HZ       LYS  91  -1.941 -10.302  -3.696
  474    H    LYS  92           H        LYS  92  -3.963 -10.199   3.166
  475    HA   LYS  92           HA       LYS  92  -1.654 -11.354   2.125
  476   1HB   LYS  92          1HB       LYS  92  -1.174 -11.855   4.394
  477   2HB   LYS  92          2HB       LYS  92  -1.972 -10.270   4.226
  478   1HG   LYS  92          1HG       LYS  92  -4.132 -11.348   4.951
  479   2HG   LYS  92          2HG       LYS  92  -3.288 -12.885   5.146
  480   1HD   LYS  92          1HD       LYS  92  -1.842 -11.963   6.869
  481   2HD   LYS  92          2HD       LYS  92  -2.486 -10.340   6.624
  482   1HE   LYS  92          1HE       LYS  92  -4.307 -10.671   7.894
  483   2HE   LYS  92          2HE       LYS  92  -4.679 -12.223   7.138
  484   1HZ   LYS  92          1HZ       LYS  92  -4.195 -12.473   9.455
  485   2HZ   LYS  92          2HZ       LYS  92  -3.069 -13.262   8.551
  486   3HZ   LYS  92          3HZ       LYS  92  -2.691 -11.825   9.269
  487    HHA  HEC  93           HHA      HEC  93   8.548  -0.086   0.486
  488    HHB  HEC  93           HHB      HEC  93   2.127   0.044   0.787
  489    HHC  HEC  93           HHC      HEC  93   2.232   4.428  -3.939
  490    HHD  HEC  93           HHD      HEC  93   8.464   3.313  -4.874
  491   1HMA  HEC  93          1HMA      HEC  93   3.275  -2.039   2.074
  492   2HMA  HEC  93          2HMA      HEC  93   4.560  -1.879   3.281
  493   3HMA  HEC  93          3HMA      HEC  93   3.334  -0.611   3.141
  494   1HAA  HEC  93          1HAA      HEC  93   6.792  -1.786   3.171
  495   2HAA  HEC  93          2HAA      HEC  93   7.905  -0.590   2.630
  496   1HBA  HEC  93          1HBA      HEC  93   7.875  -2.062   0.454
  497   2HBA  HEC  93          2HBA      HEC  93   7.246  -3.331   1.504
  498   1HMB  HEC  93          1HMB      HEC  93  -0.946   1.310  -0.958
  499   2HMB  HEC  93          2HMB      HEC  93   0.076  -0.114  -1.063
  500   3HMB  HEC  93          3HMB      HEC  93  -0.008   0.800   0.452
  501    HAB  HEC  93           HAB      HEC  93   0.267   4.186  -3.327
  502   1HBB  HEC  93          1HBB      HEC  93  -1.817   4.488  -2.051
  503   2HBB  HEC  93          2HBB      HEC  93  -1.175   3.470  -0.754
  504   3HBB  HEC  93          3HBB      HEC  93  -0.362   4.983  -1.166
  505   1HMC  HEC  93          1HMC      HEC  93   3.098   6.118  -5.348
  506   2HMC  HEC  93          2HMC      HEC  93   4.243   6.054  -6.692
  507   3HMC  HEC  93          3HMC      HEC  93   3.063   4.757  -6.487
  508    HAC  HEC  93           HAC      HEC  93   7.817   4.480  -6.479
  509   1HBC  HEC  93          1HBC      HEC  93   7.912   6.664  -5.912
  510   2HBC  HEC  93          2HBC      HEC  93   7.267   6.747  -7.549
  511   3HBC  HEC  93          3HBC      HEC  93   6.182   6.981  -6.160
  512   1HMD  HEC  93          1HMD      HEC  93  11.178   0.941  -3.957
  513   2HMD  HEC  93          2HMD      HEC  93  10.115   1.893  -4.974
  514   3HMD  HEC  93          3HMD      HEC  93  11.175   2.718  -3.803
  515   1HAD  HEC  93          1HAD      HEC  93  10.847  -0.557  -1.229
  516   2HAD  HEC  93          2HAD      HEC  93  10.458   0.411   0.063
  517   1HBD  HEC  93          1HBD      HEC  93  12.624   0.840  -0.043
  518   2HBD  HEC  93          2HBD      HEC  93  11.776   2.301  -0.537
  Start of MODEL    2
    1   1H    VAL  22          1H        VAL  22 -14.406   4.468  -1.058
    2   2H    VAL  22          2H        VAL  22 -13.823   4.657   0.473
    3   3H    VAL  22          3H        VAL  22 -14.513   5.960  -0.317
    4    HA   VAL  22           HA       VAL  22 -12.815   5.782  -2.005
    5    HB   VAL  22           HB       VAL  22 -11.362   5.971   0.672
    6   1HG1  VAL  22          1HG1      VAL  22 -10.941   7.210  -2.094
    7   2HG1  VAL  22          2HG1      VAL  22  -9.932   7.499  -0.668
    8   3HG1  VAL  22          3HG1      VAL  22  -9.990   5.888  -1.394
    9   1HG2  VAL  22          1HG2      VAL  22 -13.246   7.501   0.890
   10   2HG2  VAL  22          2HG2      VAL  22 -11.774   8.417   0.541
   11   3HG2  VAL  22          3HG2      VAL  22 -12.961   8.144  -0.751
   12    H    ASP  23           H        ASP  23 -12.289   4.007  -3.039
   13    HA   ASP  23           HA       ASP  23 -12.704   1.708  -1.430
   14   1HB   ASP  23          1HB       ASP  23 -12.782   2.213  -4.410
   15   2HB   ASP  23          2HB       ASP  23 -13.352   0.755  -3.594
   16    H    ALA  24           H        ALA  24 -11.181   0.503  -0.657
   17    HA   ALA  24           HA       ALA  24  -8.648   1.251  -0.643
   18   1HB   ALA  24          1HB       ALA  24  -8.073  -0.762   0.443
   19   2HB   ALA  24          2HB       ALA  24  -9.718  -0.336   0.949
   20   3HB   ALA  24          3HB       ALA  24  -9.478  -1.634  -0.237
   21    H    GLU  25           H        GLU  25  -9.651  -1.606  -2.632
   22    HA   GLU  25           HA       GLU  25  -7.023  -1.925  -3.698
   23   1HB   GLU  25          1HB       GLU  25  -7.836  -3.589  -5.041
   24   2HB   GLU  25          2HB       GLU  25  -8.992  -3.621  -3.707
   25   1HG   GLU  25          1HG       GLU  25 -10.538  -2.232  -5.099
   26   2HG   GLU  25          2HG       GLU  25  -9.374  -2.377  -6.470
   27    H    ALA  26           H        ALA  26  -9.863  -0.029  -4.773
   28    HA   ALA  26           HA       ALA  26  -8.915   0.681  -7.345
   29   1HB   ALA  26          1HB       ALA  26 -10.582   2.379  -7.361
   30   2HB   ALA  26          2HB       ALA  26 -11.273   0.974  -6.525
   31   3HB   ALA  26          3HB       ALA  26 -10.718   2.392  -5.601
   32    H    VAL  27           H        VAL  27  -8.449   2.203  -4.135
   33    HA   VAL  27           HA       VAL  27  -6.810   4.412  -4.981
   34    HB   VAL  27           HB       VAL  27  -6.546   2.724  -2.449
   35   1HG1  VAL  27          1HG1      VAL  27  -4.460   3.940  -2.873
   36   2HG1  VAL  27          2HG1      VAL  27  -5.369   5.438  -3.170
   37   3HG1  VAL  27          3HG1      VAL  27  -5.349   4.706  -1.558
   38   1HG2  VAL  27          1HG2      VAL  27  -7.925   5.397  -2.930
   39   2HG2  VAL  27          2HG2      VAL  27  -8.752   3.854  -2.629
   40   3HG2  VAL  27          3HG2      VAL  27  -7.743   4.574  -1.367
   41    H    VAL  28           H        VAL  28  -5.710   1.044  -4.007
   42    HA   VAL  28           HA       VAL  28  -3.108   1.884  -4.712
   43    HB   VAL  28           HB       VAL  28  -4.248  -0.876  -4.188
   44   1HG1  VAL  28          1HG1      VAL  28  -1.899  -0.835  -5.323
   45   2HG1  VAL  28          2HG1      VAL  28  -1.335  -0.220  -3.741
   46   3HG1  VAL  28          3HG1      VAL  28  -2.086  -1.755  -3.840
   47   1HG2  VAL  28          1HG2      VAL  28  -2.738   0.045  -1.987
   48   2HG2  VAL  28          2HG2      VAL  28  -3.504   1.501  -2.546
   49   3HG2  VAL  28          3HG2      VAL  28  -4.514   0.108  -2.138
   50    H    GLN  29           H        GLN  29  -5.426   0.090  -6.476
   51    HA   GLN  29           HA       GLN  29  -4.012  -0.414  -8.887
   52   1HB   GLN  29          1HB       GLN  29  -6.952  -0.234  -8.119
   53   2HB   GLN  29          2HB       GLN  29  -6.475  -0.730  -9.710
   54   1HG   GLN  29          1HG       GLN  29  -5.685  -2.154  -7.147
   55   2HG   GLN  29          2HG       GLN  29  -6.890  -2.682  -8.325
   56   1HE2  GLN  29          1HE2      GLN  29  -4.171  -3.858  -7.359
   57   2HE2  GLN  29          2HE2      GLN  29  -3.288  -4.126  -8.856
   58    H    GLN  30           H        GLN  30  -4.778   2.622  -7.625
   59    HA   GLN  30           HA       GLN  30  -4.055   3.659 -10.326
   60   1HB   GLN  30          1HB       GLN  30  -6.469   4.199  -9.074
   61   2HB   GLN  30          2HB       GLN  30  -5.477   5.572  -8.566
   62   1HG   GLN  30          1HG       GLN  30  -4.810   5.852 -11.023
   63   2HG   GLN  30          2HG       GLN  30  -6.022   4.622 -11.416
   64   1HE2  GLN  30          1HE2      GLN  30  -8.131   5.353  -9.664
   65   2HE2  GLN  30          2HE2      GLN  30  -8.702   6.940 -10.156
   66    H    LYS  31           H        LYS  31  -3.341   3.718  -6.895
   67    HA   LYS  31           HA       LYS  31  -1.752   6.191  -7.148
   68   1HB   LYS  31          1HB       LYS  31  -3.629   5.266  -5.273
   69   2HB   LYS  31          2HB       LYS  31  -2.116   4.965  -4.482
   70   1HG   LYS  31          1HG       LYS  31  -2.823   7.082  -3.818
   71   2HG   LYS  31          2HG       LYS  31  -1.567   7.451  -5.007
   72   1HD   LYS  31          1HD       LYS  31  -3.104   8.218  -6.597
   73   2HD   LYS  31          2HD       LYS  31  -4.425   7.208  -5.974
   74   1HE   LYS  31          1HE       LYS  31  -4.600   8.553  -3.943
   75   2HE   LYS  31          2HE       LYS  31  -3.269   9.599  -4.456
   76   1HZ   LYS  31          1HZ       LYS  31  -5.840   9.290  -5.866
   77   2HZ   LYS  31          2HZ       LYS  31  -5.461  10.502  -4.830
   78   3HZ   LYS  31          3HZ       LYS  31  -4.637  10.354  -6.255
   79    H    CYS  32           H        CYS  32  -1.364   2.716  -6.628
   80    HA   CYS  32           HA       CYS  32   1.452   3.138  -5.702
   81   1HB   CYS  32          1HB       CYS  32  -0.222   0.748  -5.217
   82   2HB   CYS  32          2HB       CYS  32   1.159   1.259  -4.275
   83    H    ILE  33           H        ILE  33  -0.701   1.071  -7.680
   84    HA   ILE  33           HA       ILE  33   1.160  -0.756  -8.637
   85    HB   ILE  33           HB       ILE  33  -0.152  -0.838 -10.715
   86   1HG1  ILE  33          1HG1      ILE  33  -2.017   1.265  -9.566
   87   2HG1  ILE  33          2HG1      ILE  33  -0.779   1.641 -10.765
   88   1HG2  ILE  33          1HG2      ILE  33  -2.216  -1.697  -9.675
   89   2HG2  ILE  33          2HG2      ILE  33  -0.784  -2.180  -8.795
   90   3HG2  ILE  33          3HG2      ILE  33  -1.796  -0.880  -8.157
   91   1HD1  ILE  33          1HD1      ILE  33  -1.713  -0.040 -12.318
   92   2HD1  ILE  33          2HD1      ILE  33  -3.060  -0.311 -11.195
   93   3HD1  ILE  33          3HD1      ILE  33  -2.825   1.281 -11.934
   94    H    SER  34           H        SER  34   0.833   2.649  -9.501
   95    HA   SER  34           HA       SER  34   2.285   3.157 -11.651
   96   1HB   SER  34          1HB       SER  34   2.815   4.570  -9.023
   97   2HB   SER  34          2HB       SER  34   2.600   5.263 -10.644
   98    HG   SER  34           HG       SER  34   0.685   5.488  -9.358
   99    H    CYS  35           H        CYS  35   3.692   2.103  -8.508
  100    HA   CYS  35           HA       CYS  35   6.333   1.796  -9.897
  101   1HB   CYS  35          1HB       CYS  35   6.166   2.199  -6.905
  102   2HB   CYS  35          2HB       CYS  35   7.527   2.343  -7.991
  103    H    HIS  36           H        HIS  36   4.066   0.451  -7.435
  104    HA   HIS  36           HA       HIS  36   5.699  -1.901  -7.038
  105   1HB   HIS  36          1HB       HIS  36   2.876  -1.159  -6.258
  106   2HB   HIS  36          2HB       HIS  36   3.625  -2.713  -5.851
  107    HD1  HIS  36           1HD      HIS  36   5.722  -2.671  -4.123
  108    HD2  HIS  36           2HD      HIS  36   3.695   0.986  -4.786
  109    HE1  HIS  36           1HE      HIS  36   6.392  -1.095  -2.249
  110    H    GLY  37           H        GLY  37   3.488  -1.108  -9.585
  111   1HA   GLY  37          1HA       GLY  37   3.310  -2.333 -11.543
  112   2HA   GLY  37          2HA       GLY  37   3.836  -3.820 -10.736
  113    H    GLY  38           H        GLY  38   1.489  -3.475 -12.418
  114   1HA   GLY  38          1HA       GLY  38  -0.952  -2.931 -11.393
  115   2HA   GLY  38          2HA       GLY  38  -0.661  -4.268 -12.504
  116    H    ASP  39           H        ASP  39   0.551  -6.186 -11.123
  117    HA   ASP  39           HA       ASP  39  -1.544  -7.089  -9.287
  118   1HB   ASP  39          1HB       ASP  39  -0.667  -8.476 -11.176
  119   2HB   ASP  39          2HB       ASP  39   0.893  -8.568 -10.338
  120    H    LEU  40           H        LEU  40   1.085  -5.179  -8.746
  121    HA   LEU  40           HA       LEU  40   2.258  -4.586  -6.854
  122   1HB   LEU  40          1HB       LEU  40   0.044  -6.170  -5.519
  123   2HB   LEU  40          2HB       LEU  40   1.065  -4.972  -4.771
  124    HG   LEU  40           HG       LEU  40  -0.544  -4.239  -7.279
  125   1HD1  LEU  40          1HD1      LEU  40  -1.582  -4.448  -4.480
  126   2HD1  LEU  40          2HD1      LEU  40  -2.385  -3.521  -5.790
  127   3HD1  LEU  40          3HD1      LEU  40  -2.182  -5.280  -5.929
  128   1HD2  LEU  40          1HD2      LEU  40   1.224  -2.698  -6.079
  129   2HD2  LEU  40          2HD2      LEU  40  -0.305  -2.043  -6.662
  130   3HD2  LEU  40          3HD2      LEU  40  -0.130  -2.393  -4.968
  131    H    THR  41           H        THR  41   2.893  -7.096  -8.295
  132    HA   THR  41           HA       THR  41   4.263  -8.830  -6.439
  133    HB   THR  41           HB       THR  41   4.979  -9.684  -8.825
  134    HG1  THR  41           1HG      THR  41   3.392  -8.896 -10.383
  135   1HG2  THR  41          1HG2      THR  41   2.037  -9.608  -7.996
  136   2HG2  THR  41          2HG2      THR  41   2.749 -10.744  -9.152
  137   3HG2  THR  41          3HG2      THR  41   3.241 -10.788  -7.450
  138    H    GLY  42           H        GLY  42   4.923  -5.704  -7.757
  139   1HA   GLY  42          1HA       GLY  42   6.645  -4.550  -6.854
  140   2HA   GLY  42          2HA       GLY  42   7.622  -6.007  -6.625
  141    H    ALA  43           H        ALA  43   6.381  -3.779  -9.112
  142    HA   ALA  43           HA       ALA  43   8.308  -4.657 -11.128
  143   1HB   ALA  43          1HB       ALA  43   6.177  -3.819 -11.851
  144   2HB   ALA  43          2HB       ALA  43   6.432  -2.262 -11.047
  145   3HB   ALA  43          3HB       ALA  43   7.450  -2.726 -12.427
  146    H    SER  44           H        SER  44   7.940  -1.301  -9.935
  147    HA   SER  44           HA       SER  44  10.880  -0.909 -10.033
  148   1HB   SER  44          1HB       SER  44   8.637   1.123  -9.775
  149   2HB   SER  44          2HB       SER  44  10.339   1.442 -10.134
  150    HG   SER  44           HG       SER  44   9.989   0.081 -12.048
  151    H    ALA  45           H        ALA  45   8.788  -1.967  -7.766
  152    HA   ALA  45           HA       ALA  45  10.212  -0.860  -5.445
  153   1HB   ALA  45          1HB       ALA  45   7.186  -0.778  -5.869
  154   2HB   ALA  45          2HB       ALA  45   8.020  -0.360  -4.368
  155   3HB   ALA  45          3HB       ALA  45   8.237   0.636  -5.818
  156    HA   PRO  46           HA       PRO  46   9.749  -5.171  -4.580
  157   1HB   PRO  46          1HB       PRO  46   9.382  -5.407  -1.860
  158   2HB   PRO  46          2HB       PRO  46  10.918  -4.883  -2.609
  159   1HG   PRO  46          1HG       PRO  46   8.699  -3.128  -1.536
  160   2HG   PRO  46          2HG       PRO  46  10.442  -3.039  -1.139
  161   1HD   PRO  46          1HD       PRO  46   9.346  -1.428  -3.018
  162   2HD   PRO  46          2HD       PRO  46  10.948  -2.159  -3.324
  163    H    ALA  47           H        ALA  47   8.310  -6.889  -3.813
  164    HA   ALA  47           HA       ALA  47   5.635  -6.482  -4.680
  165   1HB   ALA  47          1HB       ALA  47   6.916  -8.632  -4.872
  166   2HB   ALA  47          2HB       ALA  47   6.822  -8.822  -3.119
  167   3HB   ALA  47          3HB       ALA  47   5.334  -8.834  -4.089
  168    H    ILE  48           H        ILE  48   4.065  -5.500  -3.516
  169    HA   ILE  48           HA       ILE  48   4.026  -5.876  -0.547
  170    HB   ILE  48           HB       ILE  48   2.544  -3.891  -0.409
  171   1HG1  ILE  48          1HG1      ILE  48   3.161  -2.171  -2.309
  172   2HG1  ILE  48          2HG1      ILE  48   3.314  -3.594  -3.327
  173   1HG2  ILE  48          1HG2      ILE  48   4.261  -2.340  -0.427
  174   2HG2  ILE  48          2HG2      ILE  48   4.940  -3.871   0.154
  175   3HG2  ILE  48          3HG2      ILE  48   5.269  -3.335  -1.531
  176   1HD1  ILE  48          1HD1      ILE  48   0.945  -2.278  -2.130
  177   2HD1  ILE  48          2HD1      ILE  48   1.100  -3.232  -3.593
  178   3HD1  ILE  48          3HD1      ILE  48   0.876  -4.070  -2.064
  179    H    ASP  49           H        ASP  49   2.657  -7.096  -3.340
  180    HA   ASP  49           HA       ASP  49   0.110  -7.866  -2.662
  181   1HB   ASP  49          1HB       ASP  49   0.882  -8.762  -4.623
  182   2HB   ASP  49          2HB       ASP  49   2.474  -9.143  -3.975
  183    H    LYS  50           H        LYS  50   3.093  -8.955  -1.031
  184    HA   LYS  50           HA       LYS  50   1.476 -10.503   0.953
  185   1HB   LYS  50          1HB       LYS  50   4.233 -10.880  -0.152
  186   2HB   LYS  50          2HB       LYS  50   4.003 -11.241   1.558
  187   1HG   LYS  50          1HG       LYS  50   3.635 -13.254   0.260
  188   2HG   LYS  50          2HG       LYS  50   2.139 -12.766   1.079
  189   1HD   LYS  50          1HD       LYS  50   1.367 -11.666  -1.003
  190   2HD   LYS  50          2HD       LYS  50   2.875 -12.152  -1.809
  191   1HE   LYS  50          1HE       LYS  50   2.117 -14.515  -1.606
  192   2HE   LYS  50          2HE       LYS  50   0.672 -13.975  -0.718
  193   1HZ   LYS  50          1HZ       LYS  50   0.067 -12.649  -2.663
  194   2HZ   LYS  50          2HZ       LYS  50   1.372 -13.055  -3.431
  195   3HZ   LYS  50          3HZ       LYS  50   0.234 -14.244  -3.130
  196    H    ALA  51           H        ALA  51   2.282  -7.417   0.755
  197    HA   ALA  51           HA       ALA  51   3.840  -6.837   3.018
  198   1HB   ALA  51          1HB       ALA  51   2.669  -4.672   3.056
  199   2HB   ALA  51          2HB       ALA  51   3.195  -5.145   1.434
  200   3HB   ALA  51          3HB       ALA  51   1.481  -5.300   1.892
  201    H    GLY  52           H        GLY  52   0.242  -7.545   2.894
  202   1HA   GLY  52          1HA       GLY  52  -0.218  -7.148   5.647
  203   2HA   GLY  52          2HA       GLY  52  -1.112  -8.232   4.570
  204    H    ALA  53           H        ALA  53   1.375  -9.885   4.018
  205    HA   ALA  53           HA       ALA  53   1.128 -11.693   6.319
  206   1HB   ALA  53          1HB       ALA  53   3.063 -11.874   3.969
  207   2HB   ALA  53          2HB       ALA  53   2.577 -13.150   5.088
  208   3HB   ALA  53          3HB       ALA  53   1.414 -12.510   3.919
  209    H    ASN  54           H        ASN  54   3.562  -9.611   4.782
  210    HA   ASN  54           HA       ASN  54   5.686 -10.343   6.586
  211   1HB   ASN  54          1HB       ASN  54   5.446  -7.956   4.713
  212   2HB   ASN  54          2HB       ASN  54   6.940  -8.540   5.461
  213   1HD2  ASN  54          1HD2      ASN  54   6.436  -8.248   2.597
  214   2HD2  ASN  54          2HD2      ASN  54   6.577  -9.861   1.922
  215    H    TYR  55           H        TYR  55   3.406  -7.642   6.470
  216    HA   TYR  55           HA       TYR  55   4.442  -6.462   8.982
  217   1HB   TYR  55          1HB       TYR  55   3.477  -4.868   6.593
  218   2HB   TYR  55          2HB       TYR  55   4.360  -4.290   8.002
  219    HD1  TYR  55           1HD      TYR  55   4.713  -4.620   4.629
  220    HD2  TYR  55           2HD      TYR  55   6.761  -5.771   8.244
  221    HE1  TYR  55           1HE      TYR  55   6.851  -4.739   3.381
  222    HE2  TYR  55           2HE      TYR  55   8.884  -5.952   6.973
  223    HH   TYR  55           HH       TYR  55   9.217  -4.910   3.596
  224    H    SER  56           H        SER  56   2.733  -5.062   9.963
  225    HA   SER  56           HA       SER  56   0.000  -6.199   9.499
  226   1HB   SER  56          1HB       SER  56   1.203  -4.719  11.873
  227   2HB   SER  56          2HB       SER  56  -0.443  -5.381  11.789
  228    HG   SER  56           HG       SER  56   1.997  -6.812  11.513
  229    H    GLU  57           H        GLU  57  -1.853  -4.753   9.560
  230    HA   GLU  57           HA       GLU  57  -1.797  -2.777   7.673
  231   1HB   GLU  57          1HB       GLU  57  -3.959  -1.948   8.665
  232   2HB   GLU  57          2HB       GLU  57  -3.911  -3.617   8.203
  233   1HG   GLU  57          1HG       GLU  57  -4.712  -4.127  10.221
  234   2HG   GLU  57          2HG       GLU  57  -3.161  -3.705  10.949
  235    H    GLU  58           H        GLU  58  -1.717  -2.065  11.195
  236    HA   GLU  58           HA       GLU  58  -1.178   0.548  11.322
  237   1HB   GLU  58          1HB       GLU  58   0.359  -0.026  13.274
  238   2HB   GLU  58          2HB       GLU  58  -1.270  -0.703  13.293
  239   1HG   GLU  58          1HG       GLU  58  -0.365  -2.894  12.458
  240   2HG   GLU  58          2HG       GLU  58   1.268  -2.214  12.572
  241    H    GLU  59           H        GLU  59   1.424  -1.802  10.467
  242    HA   GLU  59           HA       GLU  59   3.509   0.195  10.287
  243   1HB   GLU  59          1HB       GLU  59   3.244  -2.610   9.116
  244   2HB   GLU  59          2HB       GLU  59   4.729  -1.668   9.108
  245   1HG   GLU  59          1HG       GLU  59   4.813  -1.671  11.552
  246   2HG   GLU  59          2HG       GLU  59   3.266  -2.525  11.639
  247    H    ILE  60           H        ILE  60   1.361  -1.434   7.982
  248    HA   ILE  60           HA       ILE  60   2.590  -0.373   5.602
  249    HB   ILE  60           HB       ILE  60  -0.252  -1.359   5.977
  250   1HG1  ILE  60          1HG1      ILE  60   2.259  -2.920   5.181
  251   2HG1  ILE  60          2HG1      ILE  60   1.428  -3.065   6.725
  252   1HG2  ILE  60          1HG2      ILE  60   1.343  -1.606   3.425
  253   2HG2  ILE  60          2HG2      ILE  60  -0.411  -1.614   3.661
  254   3HG2  ILE  60          3HG2      ILE  60   0.496  -0.103   3.787
  255   1HD1  ILE  60          1HD1      ILE  60   0.742  -4.903   5.419
  256   2HD1  ILE  60          2HD1      ILE  60  -0.647  -3.804   5.518
  257   3HD1  ILE  60          3HD1      ILE  60   0.335  -3.881   4.031
  258    H    LEU  61           H        LEU  61  -0.232   0.566   7.528
  259    HA   LEU  61           HA       LEU  61  -1.181   2.835   6.236
  260   1HB   LEU  61          1HB       LEU  61  -2.169   1.660   8.214
  261   2HB   LEU  61          2HB       LEU  61  -0.910   2.302   9.233
  262    HG   LEU  61           HG       LEU  61  -1.669   4.618   8.780
  263   1HD1  LEU  61          1HD1      LEU  61  -3.876   3.171   7.275
  264   2HD1  LEU  61          2HD1      LEU  61  -3.975   4.877   7.769
  265   3HD1  LEU  61          3HD1      LEU  61  -2.742   4.359   6.611
  266   1HD2  LEU  61          1HD2      LEU  61  -3.715   4.463  10.149
  267   2HD2  LEU  61          2HD2      LEU  61  -3.799   2.716   9.837
  268   3HD2  LEU  61          3HD2      LEU  61  -2.443   3.393  10.764
  269    H    ASP  62           H        ASP  62   1.263   2.612   8.884
  270    HA   ASP  62           HA       ASP  62   1.883   5.374   8.889
  271   1HB   ASP  62          1HB       ASP  62   2.603   3.792  10.661
  272   2HB   ASP  62          2HB       ASP  62   3.774   3.077   9.541
  273    H    ILE  63           H        ILE  63   3.292   2.669   7.017
  274    HA   ILE  63           HA       ILE  63   5.371   4.251   5.800
  275    HB   ILE  63           HB       ILE  63   4.077   1.576   5.263
  276   1HG1  ILE  63          1HG1      ILE  63   7.007   2.313   5.583
  277   2HG1  ILE  63          2HG1      ILE  63   5.931   2.087   6.970
  278   1HG2  ILE  63          1HG2      ILE  63   5.693   1.243   3.349
  279   2HG2  ILE  63          2HG2      ILE  63   4.323   2.284   2.999
  280   3HG2  ILE  63          3HG2      ILE  63   5.933   2.992   3.311
  281   1HD1  ILE  63          1HD1      ILE  63   7.147   0.032   6.551
  282   2HD1  ILE  63          2HD1      ILE  63   5.420  -0.218   6.242
  283   3HD1  ILE  63          3HD1      ILE  63   6.557  -0.049   4.888
  284    H    ILE  64           H        ILE  64   2.025   3.542   4.745
  285    HA   ILE  64           HA       ILE  64   2.205   4.865   2.213
  286    HB   ILE  64           HB       ILE  64  -0.108   4.388   4.128
  287   1HG1  ILE  64          1HG1      ILE  64   0.407   3.030   1.476
  288   2HG1  ILE  64          2HG1      ILE  64   1.257   2.463   2.915
  289   1HG2  ILE  64          1HG2      ILE  64  -0.143   5.447   1.274
  290   2HG2  ILE  64          2HG2      ILE  64  -1.568   4.802   2.111
  291   3HG2  ILE  64          3HG2      ILE  64  -0.771   6.243   2.730
  292   1HD1  ILE  64          1HD1      ILE  64  -0.792   1.195   2.590
  293   2HD1  ILE  64          2HD1      ILE  64  -0.856   2.096   4.105
  294   3HD1  ILE  64          3HD1      ILE  64  -1.769   2.673   2.706
  295    H    LEU  65           H        LEU  65   1.174   6.030   5.439
  296    HA   LEU  65           HA       LEU  65   0.669   8.719   4.612
  297   1HB   LEU  65          1HB       LEU  65   1.327   7.482   7.302
  298   2HB   LEU  65          2HB       LEU  65   0.826   9.162   7.105
  299    HG   LEU  65           HG       LEU  65  -0.950   6.852   6.147
  300   1HD1  LEU  65          1HD1      LEU  65  -2.138   7.079   8.287
  301   2HD1  LEU  65          2HD1      LEU  65  -0.453   6.608   8.586
  302   3HD1  LEU  65          3HD1      LEU  65  -0.959   8.286   8.848
  303   1HD2  LEU  65          1HD2      LEU  65  -1.431   9.098   5.255
  304   2HD2  LEU  65          2HD2      LEU  65  -2.702   8.531   6.358
  305   3HD2  LEU  65          3HD2      LEU  65  -1.527   9.745   6.909
  306    H    ASN  66           H        ASN  66   3.604   7.119   5.752
  307    HA   ASN  66           HA       ASN  66   5.063   9.659   6.131
  308   1HB   ASN  66          1HB       ASN  66   5.649   6.742   6.793
  309   2HB   ASN  66          2HB       ASN  66   6.865   7.975   6.904
  310   1HD2  ASN  66          1HD2      ASN  66   3.624   7.188   8.031
  311   2HD2  ASN  66          2HD2      ASN  66   3.959   7.537   9.689
  312    H    GLY  67           H        GLY  67   5.634   6.528   4.437
  313   1HA   GLY  67          1HA       GLY  67   6.519   6.805   2.063
  314   2HA   GLY  67          2HA       GLY  67   7.822   7.735   2.835
  315    H    GLN  68           H        GLN  68   8.911   5.881   1.669
  316    HA   GLN  68           HA       GLN  68   9.984   4.147   3.676
  317   1HB   GLN  68          1HB       GLN  68   8.384   2.411   2.609
  318   2HB   GLN  68          2HB       GLN  68   8.916   2.989   1.047
  319   1HG   GLN  68          1HG       GLN  68   9.768   0.850   1.766
  320   2HG   GLN  68          2HG       GLN  68  11.054   1.990   1.308
  321   1HE2  GLN  68          1HE2      GLN  68  10.603  -0.591   3.109
  322   2HE2  GLN  68          2HE2      GLN  68  11.528  -0.132   4.533
  323    H    GLY  69           H        GLY  69  12.241   3.551   2.755
  324   1HA   GLY  69          1HA       GLY  69  13.880   5.410   2.090
  325   2HA   GLY  69          2HA       GLY  69  14.059   3.872   1.246
  326    H    GLY  70           H        GLY  70  13.044   3.726  -1.016
  327   1HA   GLY  70          1HA       GLY  70  13.272   6.289  -2.451
  328   2HA   GLY  70          2HA       GLY  70  13.202   4.660  -3.111
  329    H    MET  71           H        MET  71  10.796   5.825  -0.773
  330    HA   MET  71           HA       MET  71   8.725   5.918  -2.929
  331   1HB   MET  71          1HB       MET  71   8.632   3.921  -1.523
  332   2HB   MET  71          2HB       MET  71   8.589   4.906  -0.089
  333   1HG   MET  71          1HG       MET  71   6.463   5.805  -0.563
  334   2HG   MET  71          2HG       MET  71   6.378   5.053  -2.159
  335   1HE   MET  71          1HE       MET  71   3.882   4.566  -0.524
  336   2HE   MET  71          2HE       MET  71   3.928   3.393   0.802
  337   3HE   MET  71          3HE       MET  71   4.711   4.973   1.002
  338    HA   PRO  72           HA       PRO  72   8.709  10.086  -1.421
  339   1HB   PRO  72          1HB       PRO  72   6.366  11.084  -2.540
  340   2HB   PRO  72          2HB       PRO  72   7.902  10.832  -3.415
  341   1HG   PRO  72          1HG       PRO  72   5.515   8.995  -3.291
  342   2HG   PRO  72          2HG       PRO  72   6.461   9.464  -4.729
  343   1HD   PRO  72          1HD       PRO  72   6.912   7.104  -3.501
  344   2HD   PRO  72          2HD       PRO  72   8.298   8.082  -4.083
  345    H    GLY  73           H        GLY  73   5.683   8.277  -0.966
  346   1HA   GLY  73          1HA       GLY  73   4.583   7.910   1.049
  347   2HA   GLY  73          2HA       GLY  73   5.663   9.064   1.844
  348    H    GLY  74           H        GLY  74   2.959   8.950   2.362
  349   1HA   GLY  74          1HA       GLY  74   1.143  10.327   2.653
  350   2HA   GLY  74          2HA       GLY  74   2.065  11.676   1.960
  351    H    ILE  75           H        ILE  75   1.792   8.684   0.213
  352    HA   ILE  75           HA       ILE  75   0.760   9.936  -2.147
  353    HB   ILE  75           HB       ILE  75   1.255   7.066  -1.292
  354   1HG1  ILE  75          1HG1      ILE  75   2.857   8.421  -3.437
  355   2HG1  ILE  75          2HG1      ILE  75   3.137   9.006  -1.797
  356   1HG2  ILE  75          1HG2      ILE  75   0.473   8.124  -4.031
  357   2HG2  ILE  75          2HG2      ILE  75   1.215   6.537  -3.770
  358   3HG2  ILE  75          3HG2      ILE  75  -0.360   6.885  -3.054
  359   1HD1  ILE  75          1HD1      ILE  75   3.173   6.059  -2.477
  360   2HD1  ILE  75          2HD1      ILE  75   4.626   7.063  -2.498
  361   3HD1  ILE  75          3HD1      ILE  75   3.720   6.841  -0.985
  362    H    ALA  76           H        ALA  76  -0.709   8.257   0.571
  363    HA   ALA  76           HA       ALA  76  -3.338   9.007  -0.412
  364   1HB   ALA  76          1HB       ALA  76  -2.505   6.190   0.420
  365   2HB   ALA  76          2HB       ALA  76  -4.170   6.746   0.593
  366   3HB   ALA  76          3HB       ALA  76  -3.420   6.678  -1.021
  367    H    LYS  77           H        LYS  77  -4.620   9.699   1.470
  368    HA   LYS  77           HA       LYS  77  -3.290   9.354   4.105
  369   1HB   LYS  77          1HB       LYS  77  -4.026  12.019   2.836
  370   2HB   LYS  77          2HB       LYS  77  -3.565  11.760   4.510
  371   1HG   LYS  77          1HG       LYS  77  -1.363  10.677   3.517
  372   2HG   LYS  77          2HG       LYS  77  -1.909  11.371   1.997
  373   1HD   LYS  77          1HD       LYS  77  -0.503  13.000   2.637
  374   2HD   LYS  77          2HD       LYS  77  -1.973  13.647   3.356
  375   1HE   LYS  77          1HE       LYS  77   0.234  12.011   4.756
  376   2HE   LYS  77          2HE       LYS  77   0.034  13.762   4.861
  377   1HZ   LYS  77          1HZ       LYS  77  -1.892  11.772   5.845
  378   2HZ   LYS  77          2HZ       LYS  77  -0.864  12.663   6.770
  379   3HZ   LYS  77          3HZ       LYS  77  -2.077  13.407   5.942
  380    H    GLY  78           H        GLY  78  -4.507   9.666   5.948
  381   1HA   GLY  78          1HA       GLY  78  -6.364   9.440   7.255
  382   2HA   GLY  78          2HA       GLY  78  -7.243  10.396   6.046
  383    H    ALA  79           H        ALA  79  -9.095   9.191   5.893
  384    HA   ALA  79           HA       ALA  79  -9.646   6.568   6.032
  385   1HB   ALA  79          1HB       ALA  79 -11.324   8.315   5.687
  386   2HB   ALA  79          2HB       ALA  79 -10.818   8.495   3.990
  387   3HB   ALA  79          3HB       ALA  79 -11.560   6.979   4.545
  388    H    GLU  80           H        GLU  80  -8.223   8.167   3.225
  389    HA   GLU  80           HA       GLU  80  -8.339   6.108   1.289
  390   1HB   GLU  80          1HB       GLU  80  -7.657   8.665   1.254
  391   2HB   GLU  80          2HB       GLU  80  -6.060   8.055   1.666
  392   1HG   GLU  80          1HG       GLU  80  -6.075   6.780  -0.505
  393   2HG   GLU  80          2HG       GLU  80  -7.660   7.464  -0.852
  394    H    ALA  81           H        ALA  81  -5.744   6.944   3.706
  395    HA   ALA  81           HA       ALA  81  -4.047   4.747   2.913
  396   1HB   ALA  81          1HB       ALA  81  -3.955   6.456   5.431
  397   2HB   ALA  81          2HB       ALA  81  -2.639   5.495   4.709
  398   3HB   ALA  81          3HB       ALA  81  -3.250   6.919   3.868
  399    H    GLU  82           H        GLU  82  -6.418   5.381   5.527
  400    HA   GLU  82           HA       GLU  82  -6.068   3.026   7.075
  401   1HB   GLU  82          1HB       GLU  82  -8.588   4.596   6.437
  402   2HB   GLU  82          2HB       GLU  82  -8.450   3.394   7.715
  403   1HG   GLU  82          1HG       GLU  82  -6.917   4.707   8.971
  404   2HG   GLU  82          2HG       GLU  82  -6.585   5.805   7.630
  405    H    ALA  83           H        ALA  83  -8.274   3.626   4.326
  406    HA   ALA  83           HA       ALA  83  -9.341   1.056   4.040
  407   1HB   ALA  83          1HB       ALA  83 -10.187   3.071   2.888
  408   2HB   ALA  83          2HB       ALA  83  -8.747   3.104   1.852
  409   3HB   ALA  83          3HB       ALA  83  -9.891   1.758   1.746
  410    H    VAL  84           H        VAL  84  -6.475   2.470   2.323
  411    HA   VAL  84           HA       VAL  84  -5.683   0.137   0.979
  412    HB   VAL  84           HB       VAL  84  -3.922   2.295   2.201
  413   1HG1  VAL  84          1HG1      VAL  84  -2.212   1.454   0.626
  414   2HG1  VAL  84          2HG1      VAL  84  -2.580   0.218   1.825
  415   3HG1  VAL  84          3HG1      VAL  84  -3.256   0.083   0.202
  416   1HG2  VAL  84          1HG2      VAL  84  -5.323   3.185   0.380
  417   2HG2  VAL  84          2HG2      VAL  84  -3.634   3.019  -0.147
  418   3HG2  VAL  84          3HG2      VAL  84  -4.852   1.831  -0.653
  419    H    ALA  85           H        ALA  85  -4.659   1.195   4.279
  420    HA   ALA  85           HA       ALA  85  -2.820  -0.879   4.726
  421   1HB   ALA  85          1HB       ALA  85  -2.961   1.156   6.059
  422   2HB   ALA  85          2HB       ALA  85  -4.523   0.651   6.740
  423   3HB   ALA  85          3HB       ALA  85  -3.057  -0.283   7.097
  424    H    ALA  86           H        ALA  86  -6.256  -0.684   5.759
  425    HA   ALA  86           HA       ALA  86  -6.466  -3.241   6.956
  426   1HB   ALA  86          1HB       ALA  86  -8.209  -1.519   7.126
  427   2HB   ALA  86          2HB       ALA  86  -8.547  -1.644   5.389
  428   3HB   ALA  86          3HB       ALA  86  -8.891  -3.018   6.462
  429    H    TRP  87           H        TRP  87  -7.180  -2.244   3.587
  430    HA   TRP  87           HA       TRP  87  -7.833  -4.791   2.566
  431   1HB   TRP  87          1HB       TRP  87  -8.452  -2.826   1.489
  432   2HB   TRP  87          2HB       TRP  87  -6.794  -2.227   1.426
  433    HD1  TRP  87           HD       TRP  87  -8.994  -4.774  -0.476
  434    HE1  TRP  87           1HE      TRP  87  -7.742  -5.484  -2.572
  435    HE3  TRP  87           3HE      TRP  87  -4.835  -1.880   0.104
  436    HZ2  TRP  87           2HZ      TRP  87  -4.987  -4.968  -3.733
  437    HZ3  TRP  87           3HZ      TRP  87  -3.007  -1.980  -1.552
  438    HH2  TRP  87           HH       TRP  87  -3.203  -3.458  -3.529
  439    H    LEU  88           H        LEU  88  -4.606  -3.200   2.774
  440    HA   LEU  88           HA       LEU  88  -3.381  -5.469   1.492
  441   1HB   LEU  88          1HB       LEU  88  -2.084  -3.139   2.833
  442   2HB   LEU  88          2HB       LEU  88  -1.186  -4.611   2.436
  443    HG   LEU  88           HG       LEU  88  -2.313  -2.602   0.546
  444   1HD1  LEU  88          1HD1      LEU  88   0.063  -2.610   1.111
  445   2HD1  LEU  88          2HD1      LEU  88   0.152  -4.197   0.267
  446   3HD1  LEU  88          3HD1      LEU  88  -0.453  -2.767  -0.599
  447   1HD2  LEU  88          1HD2      LEU  88  -1.867  -4.298  -1.348
  448   2HD2  LEU  88          2HD2      LEU  88  -1.789  -5.566  -0.129
  449   3HD2  LEU  88          3HD2      LEU  88  -3.309  -4.688  -0.421
  450    H    ALA  89           H        ALA  89  -3.937  -4.759   4.855
  451    HA   ALA  89           HA       ALA  89  -2.557  -7.094   5.863
  452   1HB   ALA  89          1HB       ALA  89  -3.148  -5.449   7.405
  453   2HB   ALA  89          2HB       ALA  89  -4.886  -5.533   6.993
  454   3HB   ALA  89          3HB       ALA  89  -4.089  -6.893   7.812
  455    H    GLU  90           H        GLU  90  -5.768  -6.575   4.470
  456    HA   GLU  90           HA       GLU  90  -6.764  -9.226   4.913
  457   1HB   GLU  90          1HB       GLU  90  -8.044  -7.077   4.499
  458   2HB   GLU  90          2HB       GLU  90  -7.531  -7.173   2.815
  459   1HG   GLU  90          1HG       GLU  90  -8.648  -9.461   2.683
  460   2HG   GLU  90          2HG       GLU  90  -9.360  -9.097   4.265
  461    H    LYS  91           H        LYS  91  -4.700  -7.807   2.431
  462    HA   LYS  91           HA       LYS  91  -5.367  -9.485   0.275
  463   1HB   LYS  91          1HB       LYS  91  -3.614  -7.336   0.858
  464   2HB   LYS  91          2HB       LYS  91  -2.569  -8.519   0.175
  465   1HG   LYS  91          1HG       LYS  91  -5.143  -8.013  -1.324
  466   2HG   LYS  91          2HG       LYS  91  -4.095  -6.626  -1.155
  467   1HD   LYS  91          1HD       LYS  91  -3.674  -7.834  -3.245
  468   2HD   LYS  91          2HD       LYS  91  -2.230  -7.721  -2.220
  469   1HE   LYS  91          1HE       LYS  91  -2.393 -10.001  -1.517
  470   2HE   LYS  91          2HE       LYS  91  -4.057 -10.153  -2.141
  471   1HZ   LYS  91          1HZ       LYS  91  -2.899  -9.782  -4.395
  472   2HZ   LYS  91          2HZ       LYS  91  -1.509 -10.154  -3.551
  473   3HZ   LYS  91          3HZ       LYS  91  -2.705 -11.226  -3.619
  474    H    LYS  92           H        LYS  92  -3.482 -10.265   2.985
  475    HA   LYS  92           HA       LYS  92  -1.203 -11.275   1.836
  476   1HB   LYS  92          1HB       LYS  92  -0.710 -12.040   4.089
  477   2HB   LYS  92          2HB       LYS  92  -1.435 -10.422   4.008
  478   1HG   LYS  92          1HG       LYS  92  -3.674 -11.519   4.625
  479   2HG   LYS  92          2HG       LYS  92  -2.783 -13.019   4.895
  480   1HD   LYS  92          1HD       LYS  92  -1.415 -11.928   6.626
  481   2HD   LYS  92          2HD       LYS  92  -2.165 -10.363   6.249
  482   1HE   LYS  92          1HE       LYS  92  -4.397 -11.249   6.909
  483   2HE   LYS  92          2HE       LYS  92  -3.637 -12.779   7.384
  484   1HZ   LYS  92          1HZ       LYS  92  -2.334 -11.537   8.991
  485   2HZ   LYS  92          2HZ       LYS  92  -3.026 -10.124   8.513
  486   3HZ   LYS  92          3HZ       LYS  92  -3.942 -11.279   9.246
  487    HHA  HEC  93           HHA      HEC  93   8.559  -0.178   0.329
  488    HHB  HEC  93           HHB      HEC  93   2.147   0.153   0.741
  489    HHC  HEC  93           HHC      HEC  93   2.275   4.370  -4.109
  490    HHD  HEC  93           HHD      HEC  93   8.520   3.306  -4.978
  491   1HMA  HEC  93          1HMA      HEC  93   3.300  -1.956   2.069
  492   2HMA  HEC  93          2HMA      HEC  93   4.565  -1.709   3.284
  493   3HMA  HEC  93          3HMA      HEC  93   3.331  -0.464   3.051
  494   1HAA  HEC  93          1HAA      HEC  93   6.793  -1.742   3.093
  495   2HAA  HEC  93          2HAA      HEC  93   7.923  -0.580   2.512
  496   1HBA  HEC  93          1HBA      HEC  93   7.831  -2.133   0.360
  497   2HBA  HEC  93          2HBA      HEC  93   7.184  -3.326   1.471
  498   1HMB  HEC  93          1HMB      HEC  93  -0.899   1.316  -1.152
  499   2HMB  HEC  93          2HMB      HEC  93   0.161  -0.075  -0.988
  500   3HMB  HEC  93          3HMB      HEC  93  -0.033   1.033   0.377
  501    HAB  HEC  93           HAB      HEC  93   0.356   4.352  -3.317
  502   1HBB  HEC  93          1HBB      HEC  93  -1.693   4.664  -2.027
  503   2HBB  HEC  93          2HBB      HEC  93  -1.146   3.484  -0.828
  504   3HBB  HEC  93          3HBB      HEC  93  -0.235   4.978  -1.069
  505   1HMC  HEC  93          1HMC      HEC  93   3.236   6.183  -5.454
  506   2HMC  HEC  93          2HMC      HEC  93   4.262   5.961  -6.876
  507   3HMC  HEC  93          3HMC      HEC  93   3.015   4.774  -6.511
  508    HAC  HEC  93           HAC      HEC  93   7.870   4.487  -6.577
  509   1HBC  HEC  93          1HBC      HEC  93   7.512   6.720  -7.588
  510   2HBC  HEC  93          2HBC      HEC  93   6.148   6.974  -6.478
  511   3HBC  HEC  93          3HBC      HEC  93   7.777   6.701  -5.843
  512   1HMD  HEC  93          1HMD      HEC  93  10.134   1.837  -5.116
  513   2HMD  HEC  93          2HMD      HEC  93  11.221   2.607  -3.933
  514   3HMD  HEC  93          3HMD      HEC  93  11.178   0.837  -4.120
  515   1HAD  HEC  93          1HAD      HEC  93  10.868  -0.656  -1.345
  516   2HAD  HEC  93          2HAD      HEC  93  10.481   0.339  -0.087
  517   1HBD  HEC  93          1HBD      HEC  93  12.546   1.042  -0.152
  518   2HBD  HEC  93          2HBD      HEC  93  11.652   2.302  -0.974
  Start of MODEL    3
    1   1H    VAL  22          1H        VAL  22 -14.229   4.286   0.182
    2   2H    VAL  22          2H        VAL  22 -12.973   4.388   1.244
    3   3H    VAL  22          3H        VAL  22 -13.829   5.783   0.834
    4    HA   VAL  22           HA       VAL  22 -13.199   5.355  -1.452
    5    HB   VAL  22           HB       VAL  22 -10.643   5.417   0.202
    6   1HG1  VAL  22          1HG1      VAL  22 -11.511   6.781  -2.397
    7   2HG1  VAL  22          2HG1      VAL  22  -9.896   6.839  -1.671
    8   3HG1  VAL  22          3HG1      VAL  22 -10.529   5.311  -2.304
    9   1HG2  VAL  22          1HG2      VAL  22 -12.087   7.057   1.299
   10   2HG2  VAL  22          2HG2      VAL  22 -10.924   7.903   0.276
   11   3HG2  VAL  22          3HG2      VAL  22 -12.599   7.713  -0.278
   12    H    ASP  23           H        ASP  23 -12.856   3.707  -2.690
   13    HA   ASP  23           HA       ASP  23 -12.687   1.039  -1.761
   14   1HB   ASP  23          1HB       ASP  23 -13.796   1.534  -3.837
   15   2HB   ASP  23          2HB       ASP  23 -12.331   2.213  -4.540
   16    H    ALA  24           H        ALA  24 -10.991   0.254  -0.806
   17    HA   ALA  24           HA       ALA  24  -8.449   1.342  -0.753
   18   1HB   ALA  24          1HB       ALA  24  -7.805  -0.682   0.356
   19   2HB   ALA  24          2HB       ALA  24  -9.428  -0.243   0.934
   20   3HB   ALA  24          3HB       ALA  24  -9.249  -1.538  -0.260
   21    H    GLU  25           H        GLU  25  -9.767  -1.265  -2.866
   22    HA   GLU  25           HA       GLU  25  -7.044  -1.987  -3.668
   23   1HB   GLU  25          1HB       GLU  25  -7.811  -3.833  -4.580
   24   2HB   GLU  25          2HB       GLU  25  -9.220  -3.543  -3.553
   25   1HG   GLU  25          1HG       GLU  25 -10.420  -2.614  -5.428
   26   2HG   GLU  25          2HG       GLU  25  -8.972  -2.751  -6.487
   27    H    ALA  26           H        ALA  26  -9.893  -0.199  -4.942
   28    HA   ALA  26           HA       ALA  26  -8.783   0.557  -7.417
   29   1HB   ALA  26          1HB       ALA  26 -11.110   1.071  -6.737
   30   2HB   ALA  26          2HB       ALA  26 -10.471   2.353  -5.663
   31   3HB   ALA  26          3HB       ALA  26 -10.245   2.465  -7.413
   32    H    VAL  27           H        VAL  27  -8.426   2.251  -4.241
   33    HA   VAL  27           HA       VAL  27  -6.567   4.289  -5.060
   34    HB   VAL  27           HB       VAL  27  -6.681   2.709  -2.450
   35   1HG1  VAL  27          1HG1      VAL  27  -5.364   4.587  -1.507
   36   2HG1  VAL  27          2HG1      VAL  27  -4.431   3.717  -2.723
   37   3HG1  VAL  27          3HG1      VAL  27  -5.177   5.279  -3.125
   38   1HG2  VAL  27          1HG2      VAL  27  -8.692   4.173  -3.050
   39   2HG2  VAL  27          2HG2      VAL  27  -7.864   4.575  -1.535
   40   3HG2  VAL  27          3HG2      VAL  27  -7.598   5.559  -2.991
   41    H    VAL  28           H        VAL  28  -5.742   0.795  -3.936
   42    HA   VAL  28           HA       VAL  28  -3.109   1.672  -4.381
   43    HB   VAL  28           HB       VAL  28  -4.408  -0.965  -3.845
   44   1HG1  VAL  28          1HG1      VAL  28  -2.445  -1.998  -4.221
   45   2HG1  VAL  28          2HG1      VAL  28  -1.627  -0.472  -4.497
   46   3HG1  VAL  28          3HG1      VAL  28  -1.746  -1.106  -2.856
   47   1HG2  VAL  28          1HG2      VAL  28  -2.938   1.104  -2.119
   48   2HG2  VAL  28          2HG2      VAL  28  -4.670   0.795  -2.110
   49   3HG2  VAL  28          3HG2      VAL  28  -3.568  -0.404  -1.507
   50    H    GLN  29           H        GLN  29  -5.318  -0.094  -6.308
   51    HA   GLN  29           HA       GLN  29  -3.803  -0.673  -8.645
   52   1HB   GLN  29          1HB       GLN  29  -6.769  -0.336  -8.095
   53   2HB   GLN  29          2HB       GLN  29  -6.151  -0.884  -9.629
   54   1HG   GLN  29          1HG       GLN  29  -5.622  -2.322  -7.001
   55   2HG   GLN  29          2HG       GLN  29  -6.856  -2.754  -8.187
   56   1HE2  GLN  29          1HE2      GLN  29  -3.923  -3.741  -7.153
   57   2HE2  GLN  29          2HE2      GLN  29  -3.176  -4.222  -8.671
   58    H    GLN  30           H        GLN  30  -4.557   2.424  -7.432
   59    HA   GLN  30           HA       GLN  30  -3.736   3.443 -10.108
   60   1HB   GLN  30          1HB       GLN  30  -6.309   3.872  -8.849
   61   2HB   GLN  30          2HB       GLN  30  -5.452   5.404  -8.886
   62   1HG   GLN  30          1HG       GLN  30  -4.981   4.954 -11.361
   63   2HG   GLN  30          2HG       GLN  30  -5.963   3.487 -11.217
   64   1HE2  GLN  30          1HE2      GLN  30  -6.038   7.056 -10.951
   65   2HE2  GLN  30          2HE2      GLN  30  -7.762   7.192 -11.277
   66    H    LYS  31           H        LYS  31  -3.126   3.562  -6.745
   67    HA   LYS  31           HA       LYS  31  -1.547   6.069  -7.034
   68   1HB   LYS  31          1HB       LYS  31  -3.468   5.138  -5.080
   69   2HB   LYS  31          2HB       LYS  31  -1.926   5.200  -4.306
   70   1HG   LYS  31          1HG       LYS  31  -3.009   7.288  -3.986
   71   2HG   LYS  31          2HG       LYS  31  -1.738   7.615  -5.177
   72   1HD   LYS  31          1HD       LYS  31  -3.338   7.591  -6.998
   73   2HD   LYS  31          2HD       LYS  31  -4.618   6.963  -5.937
   74   1HE   LYS  31          1HE       LYS  31  -4.622   9.006  -4.596
   75   2HE   LYS  31          2HE       LYS  31  -3.244   9.659  -5.496
   76   1HZ   LYS  31          1HZ       LYS  31  -5.341  10.563  -6.213
   77   2HZ   LYS  31          2HZ       LYS  31  -4.622   9.740  -7.446
   78   3HZ   LYS  31          3HZ       LYS  31  -5.897   9.075  -6.633
   79    H    CYS  32           H        CYS  32  -1.289   2.585  -6.386
   80    HA   CYS  32           HA       CYS  32   1.548   3.002  -5.545
   81   1HB   CYS  32          1HB       CYS  32   0.051   0.501  -5.103
   82   2HB   CYS  32          2HB       CYS  32   1.349   1.142  -4.149
   83    H    ILE  33           H        ILE  33  -0.573   0.958  -7.582
   84    HA   ILE  33           HA       ILE  33   1.318  -0.769  -8.603
   85    HB   ILE  33           HB       ILE  33   0.006  -0.860 -10.667
   86   1HG1  ILE  33          1HG1      ILE  33  -1.899   1.211  -9.543
   87   2HG1  ILE  33          2HG1      ILE  33  -0.622   1.661 -10.668
   88   1HG2  ILE  33          1HG2      ILE  33  -1.653  -0.861  -8.121
   89   2HG2  ILE  33          2HG2      ILE  33  -2.048  -1.721  -9.627
   90   3HG2  ILE  33          3HG2      ILE  33  -0.627  -2.160  -8.685
   91   1HD1  ILE  33          1HD1      ILE  33  -2.618   1.293 -11.933
   92   2HD1  ILE  33          2HD1      ILE  33  -1.405   0.074 -12.349
   93   3HD1  ILE  33          3HD1      ILE  33  -2.778  -0.361 -11.309
   94    H    SER  34           H        SER  34   0.944   2.597  -9.336
   95    HA   SER  34           HA       SER  34   2.376   3.155 -11.565
   96   1HB   SER  34          1HB       SER  34   1.319   4.759  -9.931
   97   2HB   SER  34          2HB       SER  34   2.746   4.571  -8.890
   98    HG   SER  34           HG       SER  34   2.850   6.392 -10.320
   99    H    CYS  35           H        CYS  35   3.769   2.139  -8.413
  100    HA   CYS  35           HA       CYS  35   6.403   1.761  -9.783
  101   1HB   CYS  35          1HB       CYS  35   6.222   2.147  -6.792
  102   2HB   CYS  35          2HB       CYS  35   7.581   2.329  -7.874
  103    H    HIS  36           H        HIS  36   4.097   0.448  -7.343
  104    HA   HIS  36           HA       HIS  36   5.679  -1.937  -6.944
  105   1HB   HIS  36          1HB       HIS  36   2.873  -1.136  -6.168
  106   2HB   HIS  36          2HB       HIS  36   3.587  -2.702  -5.755
  107    HD1  HIS  36           1HD      HIS  36   5.741  -2.683  -4.076
  108    HD2  HIS  36           2HD      HIS  36   3.689   0.968  -4.653
  109    HE1  HIS  36           1HE      HIS  36   6.431  -1.127  -2.181
  110    H    GLY  37           H        GLY  37   3.604  -1.093  -9.565
  111   1HA   GLY  37          1HA       GLY  37   3.355  -2.329 -11.491
  112   2HA   GLY  37          2HA       GLY  37   3.903  -3.808 -10.684
  113    H    GLY  38           H        GLY  38   1.544  -3.530 -12.355
  114   1HA   GLY  38          1HA       GLY  38  -0.901  -2.980 -11.395
  115   2HA   GLY  38          2HA       GLY  38  -0.589  -4.390 -12.405
  116    H    ASP  39           H        ASP  39   0.341  -6.354 -11.078
  117    HA   ASP  39           HA       ASP  39  -1.630  -7.079  -9.160
  118   1HB   ASP  39          1HB       ASP  39   0.939  -8.439 -10.049
  119   2HB   ASP  39          2HB       ASP  39  -0.358  -9.208  -9.118
  120    H    LEU  40           H        LEU  40   0.997  -5.113  -8.595
  121    HA   LEU  40           HA       LEU  40   2.182  -4.430  -6.829
  122   1HB   LEU  40          1HB       LEU  40   0.152  -5.927  -5.146
  123   2HB   LEU  40          2HB       LEU  40   1.260  -4.684  -4.599
  124    HG   LEU  40           HG       LEU  40  -0.286  -3.806  -6.986
  125   1HD1  LEU  40          1HD1      LEU  40  -1.823  -4.452  -4.454
  126   2HD1  LEU  40          2HD1      LEU  40  -2.399  -3.511  -5.854
  127   3HD1  LEU  40          3HD1      LEU  40  -2.018  -5.228  -6.046
  128   1HD2  LEU  40          1HD2      LEU  40  -0.140  -2.576  -4.256
  129   2HD2  LEU  40          2HD2      LEU  40   1.167  -2.430  -5.443
  130   3HD2  LEU  40          3HD2      LEU  40  -0.436  -1.799  -5.835
  131    H    THR  41           H        THR  41   2.787  -6.883  -8.233
  132    HA   THR  41           HA       THR  41   4.107  -8.751  -6.495
  133    HB   THR  41           HB       THR  41   4.870  -9.409  -8.949
  134    HG1  THR  41           1HG      THR  41   3.381  -8.468 -10.474
  135   1HG2  THR  41          1HG2      THR  41   3.151 -10.654  -7.722
  136   2HG2  THR  41          2HG2      THR  41   1.942  -9.406  -8.067
  137   3HG2  THR  41          3HG2      THR  41   2.601 -10.394  -9.389
  138    H    GLY  42           H        GLY  42   4.912  -5.579  -7.660
  139   1HA   GLY  42          1HA       GLY  42   6.689  -4.499  -6.726
  140   2HA   GLY  42          2HA       GLY  42   7.607  -6.000  -6.533
  141    H    ALA  43           H        ALA  43   6.583  -3.535  -8.858
  142    HA   ALA  43           HA       ALA  43   8.470  -4.515 -10.921
  143   1HB   ALA  43          1HB       ALA  43   6.371  -3.755 -11.737
  144   2HB   ALA  43          2HB       ALA  43   6.485  -2.214 -10.881
  145   3HB   ALA  43          3HB       ALA  43   7.596  -2.566 -12.220
  146    H    SER  44           H        SER  44   8.027  -1.125  -9.911
  147    HA   SER  44           HA       SER  44  10.949  -0.699  -9.876
  148   1HB   SER  44          1HB       SER  44   8.644   1.250  -9.575
  149   2HB   SER  44          2HB       SER  44  10.346   1.657  -9.838
  150    HG   SER  44           HG       SER  44   9.057   1.659 -11.784
  151    H    ALA  45           H        ALA  45   8.874  -1.888  -7.650
  152    HA   ALA  45           HA       ALA  45  10.190  -0.758  -5.271
  153   1HB   ALA  45          1HB       ALA  45   7.181  -0.775  -5.796
  154   2HB   ALA  45          2HB       ALA  45   7.963  -0.304  -4.281
  155   3HB   ALA  45          3HB       ALA  45   8.184   0.674  -5.740
  156    HA   PRO  46           HA       PRO  46   9.877  -5.080  -4.371
  157   1HB   PRO  46          1HB       PRO  46   9.276  -5.268  -1.678
  158   2HB   PRO  46          2HB       PRO  46  10.865  -4.743  -2.308
  159   1HG   PRO  46          1HG       PRO  46   8.542  -3.000  -1.468
  160   2HG   PRO  46          2HG       PRO  46  10.247  -2.875  -0.931
  161   1HD   PRO  46          1HD       PRO  46   9.296  -1.315  -2.916
  162   2HD   PRO  46          2HD       PRO  46  10.914  -2.047  -3.102
  163    H    ALA  47           H        ALA  47   8.391  -6.839  -3.693
  164    HA   ALA  47           HA       ALA  47   5.729  -6.426  -4.679
  165   1HB   ALA  47          1HB       ALA  47   5.396  -8.762  -4.096
  166   2HB   ALA  47          2HB       ALA  47   7.026  -8.601  -4.786
  167   3HB   ALA  47          3HB       ALA  47   6.821  -8.758  -3.035
  168    H    ILE  48           H        ILE  48   4.000  -5.655  -3.551
  169    HA   ILE  48           HA       ILE  48   4.031  -5.989  -0.591
  170    HB   ILE  48           HB       ILE  48   3.116  -3.866  -0.109
  171   1HG1  ILE  48          1HG1      ILE  48   3.262  -2.006  -1.800
  172   2HG1  ILE  48          2HG1      ILE  48   3.295  -3.232  -3.056
  173   1HG2  ILE  48          1HG2      ILE  48   5.567  -4.197  -0.160
  174   2HG2  ILE  48          2HG2      ILE  48   5.591  -3.583  -1.827
  175   3HG2  ILE  48          3HG2      ILE  48   5.095  -2.527  -0.500
  176   1HD1  ILE  48          1HD1      ILE  48   0.988  -3.911  -2.371
  177   2HD1  ILE  48          2HD1      ILE  48   1.125  -2.935  -0.890
  178   3HD1  ILE  48          3HD1      ILE  48   1.040  -2.136  -2.458
  179    H    ASP  49           H        ASP  49   2.540  -7.003  -3.339
  180    HA   ASP  49           HA       ASP  49  -0.145  -7.205  -2.679
  181   1HB   ASP  49          1HB       ASP  49  -0.103  -9.303  -3.852
  182   2HB   ASP  49          2HB       ASP  49   1.049  -8.235  -4.647
  183    H    LYS  50           H        LYS  50   2.579  -8.935  -1.272
  184    HA   LYS  50           HA       LYS  50   0.884 -10.172   0.855
  185   1HB   LYS  50          1HB       LYS  50   3.442 -10.874  -0.536
  186   2HB   LYS  50          2HB       LYS  50   3.249 -11.431   1.127
  187   1HG   LYS  50          1HG       LYS  50   1.687 -12.946   0.661
  188   2HG   LYS  50          2HG       LYS  50   0.783 -11.896  -0.424
  189   1HD   LYS  50          1HD       LYS  50   1.690 -12.635  -2.274
  190   2HD   LYS  50          2HD       LYS  50   3.329 -12.776  -1.636
  191   1HE   LYS  50          1HE       LYS  50   2.896 -14.909  -0.663
  192   2HE   LYS  50          2HE       LYS  50   1.136 -14.735  -0.819
  193   1HZ   LYS  50          1HZ       LYS  50   1.299 -14.921  -3.137
  194   2HZ   LYS  50          2HZ       LYS  50   2.942 -14.880  -3.132
  195   3HZ   LYS  50          3HZ       LYS  50   2.147 -16.181  -2.498
  196    H    ALA  51           H        ALA  51   2.210  -7.289   0.679
  197    HA   ALA  51           HA       ALA  51   3.821  -7.112   3.026
  198   1HB   ALA  51          1HB       ALA  51   2.896  -4.731   3.052
  199   2HB   ALA  51          2HB       ALA  51   3.771  -5.277   1.594
  200   3HB   ALA  51          3HB       ALA  51   2.000  -5.186   1.613
  201    H    GLY  52           H        GLY  52   0.144  -7.404   2.673
  202   1HA   GLY  52          1HA       GLY  52  -0.391  -6.938   5.393
  203   2HA   GLY  52          2HA       GLY  52  -1.289  -7.988   4.285
  204    H    ALA  53           H        ALA  53   0.988  -9.827   3.782
  205    HA   ALA  53           HA       ALA  53   0.614 -11.580   6.077
  206   1HB   ALA  53          1HB       ALA  53   0.951 -12.390   3.664
  207   2HB   ALA  53          2HB       ALA  53   2.642 -11.909   3.828
  208   3HB   ALA  53          3HB       ALA  53   1.970 -13.144   4.896
  209    H    ASN  54           H        ASN  54   3.267  -9.697   4.673
  210    HA   ASN  54           HA       ASN  54   5.232 -10.636   6.595
  211   1HB   ASN  54          1HB       ASN  54   5.323  -8.389   4.532
  212   2HB   ASN  54          2HB       ASN  54   6.685  -8.895   5.534
  213   1HD2  ASN  54          1HD2      ASN  54   4.408 -10.105   2.998
  214   2HD2  ASN  54          2HD2      ASN  54   5.541 -11.321   2.428
  215    H    TYR  55           H        TYR  55   3.299  -7.707   6.240
  216    HA   TYR  55           HA       TYR  55   4.421  -6.541   8.762
  217   1HB   TYR  55          1HB       TYR  55   3.322  -4.920   6.475
  218   2HB   TYR  55          2HB       TYR  55   4.363  -4.400   7.801
  219    HD1  TYR  55           1HD      TYR  55   4.468  -4.372   4.511
  220    HD2  TYR  55           2HD      TYR  55   6.658  -6.232   7.713
  221    HE1  TYR  55           1HE      TYR  55   6.335  -4.847   2.951
  222    HE2  TYR  55           2HE      TYR  55   8.564  -6.619   6.172
  223    HH   TYR  55           HH       TYR  55   8.877  -5.242   3.069
  224    H    SER  56           H        SER  56   2.588  -4.687   9.378
  225    HA   SER  56           HA       SER  56  -0.091  -6.032   9.219
  226   1HB   SER  56          1HB       SER  56   1.235  -4.721  11.626
  227   2HB   SER  56          2HB       SER  56  -0.468  -5.202  11.547
  228    HG   SER  56           HG       SER  56   1.712  -6.958  11.058
  229    H    GLU  57           H        GLU  57  -1.902  -4.503   9.608
  230    HA   GLU  57           HA       GLU  57  -1.856  -2.501   7.714
  231   1HB   GLU  57          1HB       GLU  57  -3.971  -1.681   8.703
  232   2HB   GLU  57          2HB       GLU  57  -3.928  -3.394   8.366
  233   1HG   GLU  57          1HG       GLU  57  -4.883  -3.519  10.414
  234   2HG   GLU  57          2HG       GLU  57  -3.213  -3.520  10.994
  235    H    GLU  58           H        GLU  58  -1.709  -1.789  11.298
  236    HA   GLU  58           HA       GLU  58  -0.842   0.657  11.438
  237   1HB   GLU  58          1HB       GLU  58   0.870  -0.090  13.192
  238   2HB   GLU  58          2HB       GLU  58  -0.818  -0.569  13.393
  239   1HG   GLU  58          1HG       GLU  58  -0.322  -2.843  12.582
  240   2HG   GLU  58          2HG       GLU  58   1.386  -2.399  12.372
  241    H    GLU  59           H        GLU  59   1.649  -1.794  10.512
  242    HA   GLU  59           HA       GLU  59   3.741   0.077  10.067
  243   1HB   GLU  59          1HB       GLU  59   3.274  -2.601   8.689
  244   2HB   GLU  59          2HB       GLU  59   4.804  -1.746   8.774
  245   1HG   GLU  59          1HG       GLU  59   3.466  -2.596  11.367
  246   2HG   GLU  59          2HG       GLU  59   4.350  -3.759  10.374
  247    H    ILE  60           H        ILE  60   1.473  -1.511   7.810
  248    HA   ILE  60           HA       ILE  60   2.664  -0.413   5.447
  249    HB   ILE  60           HB       ILE  60  -0.173  -1.399   5.833
  250   1HG1  ILE  60          1HG1      ILE  60   2.278  -2.959   4.885
  251   2HG1  ILE  60          2HG1      ILE  60   1.613  -3.065   6.506
  252   1HG2  ILE  60          1HG2      ILE  60   1.113  -1.876   3.204
  253   2HG2  ILE  60          2HG2      ILE  60  -0.507  -1.290   3.596
  254   3HG2  ILE  60          3HG2      ILE  60   0.871  -0.173   3.559
  255   1HD1  ILE  60          1HD1      ILE  60   0.766  -4.916   5.397
  256   2HD1  ILE  60          2HD1      ILE  60  -0.593  -3.786   5.513
  257   3HD1  ILE  60          3HD1      ILE  60   0.285  -3.983   3.969
  258    H    LEU  61           H        LEU  61  -0.116   0.554   7.414
  259    HA   LEU  61           HA       LEU  61  -1.019   2.834   6.070
  260   1HB   LEU  61          1HB       LEU  61  -2.067   1.675   8.065
  261   2HB   LEU  61          2HB       LEU  61  -0.853   2.415   9.087
  262    HG   LEU  61           HG       LEU  61  -1.652   4.681   8.277
  263   1HD1  LEU  61          1HD1      LEU  61  -3.924   2.996   7.169
  264   2HD1  LEU  61          2HD1      LEU  61  -3.947   4.769   7.307
  265   3HD1  LEU  61          3HD1      LEU  61  -2.811   3.980   6.209
  266   1HD2  LEU  61          1HD2      LEU  61  -3.658   4.684   9.715
  267   2HD2  LEU  61          2HD2      LEU  61  -3.682   2.907   9.692
  268   3HD2  LEU  61          3HD2      LEU  61  -2.330   3.773  10.458
  269    H    ASP  62           H        ASP  62   1.418   2.529   8.709
  270    HA   ASP  62           HA       ASP  62   2.087   5.259   8.749
  271   1HB   ASP  62          1HB       ASP  62   3.089   2.898  10.012
  272   2HB   ASP  62          2HB       ASP  62   4.470   3.597   9.188
  273    H    ILE  63           H        ILE  63   3.377   2.584   6.743
  274    HA   ILE  63           HA       ILE  63   5.365   4.247   5.459
  275    HB   ILE  63           HB       ILE  63   4.140   1.548   4.831
  276   1HG1  ILE  63          1HG1      ILE  63   6.907   1.439   4.418
  277   2HG1  ILE  63          2HG1      ILE  63   6.778   2.577   5.750
  278   1HG2  ILE  63          1HG2      ILE  63   5.539   1.473   2.746
  279   2HG2  ILE  63          2HG2      ILE  63   4.056   2.397   2.656
  280   3HG2  ILE  63          3HG2      ILE  63   5.642   3.225   2.809
  281   1HD1  ILE  63          1HD1      ILE  63   5.655   0.932   7.101
  282   2HD1  ILE  63          2HD1      ILE  63   5.444  -0.167   5.710
  283   3HD1  ILE  63          3HD1      ILE  63   7.060   0.156   6.366
  284    H    ILE  64           H        ILE  64   1.984   3.500   4.537
  285    HA   ILE  64           HA       ILE  64   2.055   4.848   2.026
  286    HB   ILE  64           HB       ILE  64  -0.185   4.331   4.010
  287   1HG1  ILE  64          1HG1      ILE  64   0.209   2.951   1.358
  288   2HG1  ILE  64          2HG1      ILE  64   1.244   2.457   2.698
  289   1HG2  ILE  64          1HG2      ILE  64  -1.701   4.649   2.006
  290   2HG2  ILE  64          2HG2      ILE  64  -0.964   6.136   2.612
  291   3HG2  ILE  64          3HG2      ILE  64  -0.318   5.365   1.152
  292   1HD1  ILE  64          1HD1      ILE  64  -1.785   2.500   2.833
  293   2HD1  ILE  64          2HD1      ILE  64  -0.730   1.070   2.623
  294   3HD1  ILE  64          3HD1      ILE  64  -0.700   1.987   4.114
  295    H    LEU  65           H        LEU  65   1.154   5.991   5.282
  296    HA   LEU  65           HA       LEU  65   0.612   8.696   4.477
  297   1HB   LEU  65          1HB       LEU  65   1.259   7.418   7.150
  298   2HB   LEU  65          2HB       LEU  65   0.715   9.087   6.959
  299    HG   LEU  65           HG       LEU  65  -0.992   6.690   6.043
  300   1HD1  LEU  65          1HD1      LEU  65  -0.527   6.668   8.520
  301   2HD1  LEU  65          2HD1      LEU  65  -1.119   8.335   8.620
  302   3HD1  LEU  65          3HD1      LEU  65  -2.224   7.032   8.139
  303   1HD2  LEU  65          1HD2      LEU  65  -2.793   8.363   6.167
  304   2HD2  LEU  65          2HD2      LEU  65  -1.600   9.637   6.491
  305   3HD2  LEU  65          3HD2      LEU  65  -1.571   8.758   4.944
  306    H    ASN  66           H        ASN  66   3.558   7.061   5.587
  307    HA   ASN  66           HA       ASN  66   5.017   9.600   6.007
  308   1HB   ASN  66          1HB       ASN  66   5.692   6.668   6.527
  309   2HB   ASN  66          2HB       ASN  66   6.866   7.934   6.666
  310   1HD2  ASN  66          1HD2      ASN  66   3.615   7.126   7.809
  311   2HD2  ASN  66          2HD2      ASN  66   3.953   7.376   9.483
  312    H    GLY  67           H        GLY  67   5.535   6.534   4.231
  313   1HA   GLY  67          1HA       GLY  67   6.449   6.733   1.888
  314   2HA   GLY  67          2HA       GLY  67   7.724   7.732   2.621
  315    H    GLN  68           H        GLN  68   8.993   5.939   1.662
  316    HA   GLN  68           HA       GLN  68  10.054   4.274   3.690
  317   1HB   GLN  68          1HB       GLN  68   8.372   2.490   2.742
  318   2HB   GLN  68          2HB       GLN  68   8.939   2.948   1.155
  319   1HG   GLN  68          1HG       GLN  68   9.759   0.831   2.038
  320   2HG   GLN  68          2HG       GLN  68  11.065   1.921   1.547
  321   1HE2  GLN  68          1HE2      GLN  68  10.534  -0.492   3.532
  322   2HE2  GLN  68          2HE2      GLN  68  11.403   0.069   4.962
  323    H    GLY  69           H        GLY  69  12.255   3.566   2.740
  324   1HA   GLY  69          1HA       GLY  69  14.063   4.991   1.828
  325   2HA   GLY  69          2HA       GLY  69  13.803   3.545   0.852
  326    H    GLY  70           H        GLY  70  12.950   3.804  -1.364
  327   1HA   GLY  70          1HA       GLY  70  13.240   6.493  -2.494
  328   2HA   GLY  70          2HA       GLY  70  13.025   4.949  -3.317
  329    H    MET  71           H        MET  71  10.667   5.518  -0.868
  330    HA   MET  71           HA       MET  71   8.569   5.826  -2.931
  331   1HB   MET  71          1HB       MET  71   8.543   3.898  -1.388
  332   2HB   MET  71          2HB       MET  71   8.492   4.969  -0.029
  333   1HG   MET  71          1HG       MET  71   6.370   5.806  -0.509
  334   2HG   MET  71          2HG       MET  71   6.279   5.028  -2.085
  335   1HE   MET  71          1HE       MET  71   4.499   5.036   0.924
  336   2HE   MET  71          2HE       MET  71   3.837   4.622  -0.675
  337   3HE   MET  71          3HE       MET  71   3.696   3.474   0.663
  338    HA   PRO  72           HA       PRO  72   8.575  10.049  -1.501
  339   1HB   PRO  72          1HB       PRO  72   6.252  11.035  -2.634
  340   2HB   PRO  72          2HB       PRO  72   7.756  10.700  -3.539
  341   1HG   PRO  72          1HG       PRO  72   5.343   8.923  -3.245
  342   2HG   PRO  72          2HG       PRO  72   6.219   9.324  -4.746
  343   1HD   PRO  72          1HD       PRO  72   6.728   7.003  -3.466
  344   2HD   PRO  72          2HD       PRO  72   8.088   7.970  -4.123
  345    H    GLY  73           H        GLY  73   5.532   8.255  -1.070
  346   1HA   GLY  73          1HA       GLY  73   4.390   7.887   0.919
  347   2HA   GLY  73          2HA       GLY  73   5.490   8.998   1.748
  348    H    GLY  74           H        GLY  74   2.778   8.962   2.233
  349   1HA   GLY  74          1HA       GLY  74   1.005  10.404   2.523
  350   2HA   GLY  74          2HA       GLY  74   1.979  11.724   1.847
  351    H    ILE  75           H        ILE  75   1.687   8.787   0.044
  352    HA   ILE  75           HA       ILE  75   0.650  10.050  -2.305
  353    HB   ILE  75           HB       ILE  75   1.096   7.174  -1.436
  354   1HG1  ILE  75          1HG1      ILE  75   2.674   8.532  -3.611
  355   2HG1  ILE  75          2HG1      ILE  75   3.039   9.012  -1.951
  356   1HG2  ILE  75          1HG2      ILE  75  -0.562   7.028  -3.165
  357   2HG2  ILE  75          2HG2      ILE  75   0.288   8.234  -4.167
  358   3HG2  ILE  75          3HG2      ILE  75   0.982   6.623  -3.910
  359   1HD1  ILE  75          1HD1      ILE  75   4.335   6.961  -2.951
  360   2HD1  ILE  75          2HD1      ILE  75   3.690   6.866  -1.296
  361   3HD1  ILE  75          3HD1      ILE  75   2.833   6.091  -2.631
  362    H    ALA  76           H        ALA  76  -0.776   8.286   0.410
  363    HA   ALA  76           HA       ALA  76  -3.424   9.040  -0.523
  364   1HB   ALA  76          1HB       ALA  76  -2.566   6.223   0.302
  365   2HB   ALA  76          2HB       ALA  76  -4.246   6.757   0.376
  366   3HB   ALA  76          3HB       ALA  76  -3.402   6.705  -1.189
  367    H    LYS  77           H        LYS  77  -4.741   9.631   1.376
  368    HA   LYS  77           HA       LYS  77  -3.610   8.965   3.985
  369   1HB   LYS  77          1HB       LYS  77  -3.915  11.559   4.527
  370   2HB   LYS  77          2HB       LYS  77  -2.391  10.783   4.062
  371   1HG   LYS  77          1HG       LYS  77  -2.623  11.549   1.777
  372   2HG   LYS  77          2HG       LYS  77  -4.190  12.310   2.164
  373   1HD   LYS  77          1HD       LYS  77  -3.123  13.935   3.603
  374   2HD   LYS  77          2HD       LYS  77  -1.684  12.935   3.788
  375   1HE   LYS  77          1HE       LYS  77  -1.121  14.819   2.389
  376   2HE   LYS  77          2HE       LYS  77  -0.990  13.307   1.486
  377   1HZ   LYS  77          1HZ       LYS  77  -3.222  15.221   1.325
  378   2HZ   LYS  77          2HZ       LYS  77  -2.062  14.959   0.184
  379   3HZ   LYS  77          3HZ       LYS  77  -3.154  13.779   0.525
  380    H    GLY  78           H        GLY  78  -4.814   9.648   5.846
  381   1HA   GLY  78          1HA       GLY  78  -6.728   9.370   7.054
  382   2HA   GLY  78          2HA       GLY  78  -7.563  10.312   5.802
  383    H    ALA  79           H        ALA  79  -9.387   9.037   5.647
  384    HA   ALA  79           HA       ALA  79  -9.905   6.425   5.663
  385   1HB   ALA  79          1HB       ALA  79 -11.728   6.820   4.074
  386   2HB   ALA  79          2HB       ALA  79 -11.585   8.153   5.237
  387   3HB   ALA  79          3HB       ALA  79 -10.980   8.354   3.574
  388    H    GLU  80           H        GLU  80  -8.302   8.067   2.967
  389    HA   GLU  80           HA       GLU  80  -8.348   6.013   1.012
  390   1HB   GLU  80          1HB       GLU  80  -7.656   8.586   1.034
  391   2HB   GLU  80          2HB       GLU  80  -6.069   7.935   1.423
  392   1HG   GLU  80          1HG       GLU  80  -6.183   6.647  -0.754
  393   2HG   GLU  80          2HG       GLU  80  -7.725   7.446  -1.076
  394    H    ALA  81           H        ALA  81  -5.747   6.883   3.451
  395    HA   ALA  81           HA       ALA  81  -4.132   4.610   2.726
  396   1HB   ALA  81          1HB       ALA  81  -2.698   5.388   4.518
  397   2HB   ALA  81          2HB       ALA  81  -3.219   6.751   3.535
  398   3HB   ALA  81          3HB       ALA  81  -3.975   6.474   5.123
  399    H    GLU  82           H        GLU  82  -6.494   5.403   5.302
  400    HA   GLU  82           HA       GLU  82  -6.129   3.137   6.983
  401   1HB   GLU  82          1HB       GLU  82  -8.643   4.675   6.258
  402   2HB   GLU  82          2HB       GLU  82  -8.513   3.543   7.600
  403   1HG   GLU  82          1HG       GLU  82  -7.008   4.928   8.803
  404   2HG   GLU  82          2HG       GLU  82  -6.636   5.935   7.406
  405    H    ALA  83           H        ALA  83  -8.363   3.630   4.228
  406    HA   ALA  83           HA       ALA  83  -9.386   1.018   4.070
  407   1HB   ALA  83          1HB       ALA  83 -10.075   1.632   1.807
  408   2HB   ALA  83          2HB       ALA  83 -10.344   2.976   2.906
  409   3HB   ALA  83          3HB       ALA  83  -8.954   3.006   1.795
  410    H    VAL  84           H        VAL  84  -6.578   2.480   2.271
  411    HA   VAL  84           HA       VAL  84  -5.693   0.176   0.957
  412    HB   VAL  84           HB       VAL  84  -3.968   2.304   2.288
  413   1HG1  VAL  84          1HG1      VAL  84  -3.221  -0.010   0.477
  414   2HG1  VAL  84          2HG1      VAL  84  -2.182   1.391   0.809
  415   3HG1  VAL  84          3HG1      VAL  84  -2.634   0.277   2.093
  416   1HG2  VAL  84          1HG2      VAL  84  -4.786   3.506   0.544
  417   2HG2  VAL  84          2HG2      VAL  84  -3.543   2.632  -0.342
  418   3HG2  VAL  84          3HG2      VAL  84  -5.236   2.074  -0.399
  419    H    ALA  85           H        ALA  85  -4.518   1.202   4.210
  420    HA   ALA  85           HA       ALA  85  -2.840  -1.000   4.631
  421   1HB   ALA  85          1HB       ALA  85  -2.870  -0.318   6.961
  422   2HB   ALA  85          2HB       ALA  85  -2.803   1.100   5.893
  423   3HB   ALA  85          3HB       ALA  85  -4.329   0.661   6.700
  424    H    ALA  86           H        ALA  86  -6.256  -0.545   5.698
  425    HA   ALA  86           HA       ALA  86  -6.540  -3.039   7.019
  426   1HB   ALA  86          1HB       ALA  86  -8.614  -1.380   5.516
  427   2HB   ALA  86          2HB       ALA  86  -8.965  -2.701   6.653
  428   3HB   ALA  86          3HB       ALA  86  -8.168  -1.221   7.229
  429    H    TRP  87           H        TRP  87  -7.397  -2.149   3.627
  430    HA   TRP  87           HA       TRP  87  -8.202  -4.723   2.753
  431   1HB   TRP  87          1HB       TRP  87  -8.723  -2.781   1.517
  432   2HB   TRP  87          2HB       TRP  87  -7.008  -2.320   1.421
  433    HD1  TRP  87           HD       TRP  87  -9.483  -4.639  -0.366
  434    HE1  TRP  87           1HE      TRP  87  -8.339  -5.638  -2.434
  435    HE3  TRP  87           3HE      TRP  87  -4.948  -2.264  -0.038
  436    HZ2  TRP  87           2HZ      TRP  87  -4.813  -5.217  -2.514
  437    HZ3  TRP  87           3HZ      TRP  87  -3.494  -2.350  -2.093
  438    HH2  TRP  87           HH       TRP  87  -4.263  -3.476  -4.120
  439    H    LEU  88           H        LEU  88  -4.975  -3.203   2.819
  440    HA   LEU  88           HA       LEU  88  -3.631  -5.259   1.383
  441   1HB   LEU  88          1HB       LEU  88  -2.953  -2.722   2.459
  442   2HB   LEU  88          2HB       LEU  88  -1.936  -3.846   3.311
  443    HG   LEU  88           HG       LEU  88  -1.026  -2.848   1.241
  444   1HD1  LEU  88          1HD1      LEU  88   0.186  -4.597   0.682
  445   2HD1  LEU  88          2HD1      LEU  88  -0.506  -5.326   2.145
  446   3HD1  LEU  88          3HD1      LEU  88  -1.161  -5.756   0.542
  447   1HD2  LEU  88          1HD2      LEU  88  -2.750  -2.533  -0.074
  448   2HD2  LEU  88          2HD2      LEU  88  -1.505  -3.451  -0.934
  449   3HD2  LEU  88          3HD2      LEU  88  -2.976  -4.293  -0.412
  450    H    ALA  89           H        ALA  89  -3.917  -4.610   4.884
  451    HA   ALA  89           HA       ALA  89  -2.621  -6.964   5.822
  452   1HB   ALA  89          1HB       ALA  89  -4.864  -5.344   7.060
  453   2HB   ALA  89          2HB       ALA  89  -3.918  -6.602   7.886
  454   3HB   ALA  89          3HB       ALA  89  -3.104  -5.142   7.290
  455    H    GLU  90           H        GLU  90  -5.993  -6.388   4.760
  456    HA   GLU  90           HA       GLU  90  -6.926  -9.027   5.429
  457   1HB   GLU  90          1HB       GLU  90  -8.286  -6.891   5.086
  458   2HB   GLU  90          2HB       GLU  90  -7.963  -7.067   3.361
  459   1HG   GLU  90          1HG       GLU  90  -9.032  -9.546   3.915
  460   2HG   GLU  90          2HG       GLU  90  -9.870  -8.539   5.096
  461    H    LYS  91           H        LYS  91  -4.879  -7.842   2.803
  462    HA   LYS  91           HA       LYS  91  -6.100  -9.313   0.700
  463   1HB   LYS  91          1HB       LYS  91  -4.570  -7.176   0.826
  464   2HB   LYS  91          2HB       LYS  91  -3.224  -8.292   0.773
  465   1HG   LYS  91          1HG       LYS  91  -5.522  -8.102  -1.252
  466   2HG   LYS  91          2HG       LYS  91  -3.974  -7.250  -1.364
  467   1HD   LYS  91          1HD       LYS  91  -3.213  -9.904  -0.808
  468   2HD   LYS  91          2HD       LYS  91  -4.553 -10.131  -1.948
  469   1HE   LYS  91          1HE       LYS  91  -2.170  -8.284  -2.085
  470   2HE   LYS  91          2HE       LYS  91  -2.110  -9.946  -2.664
  471   1HZ   LYS  91          1HZ       LYS  91  -3.895  -9.323  -4.271
  472   2HZ   LYS  91          2HZ       LYS  91  -3.882  -7.780  -3.715
  473   3HZ   LYS  91          3HZ       LYS  91  -2.574  -8.372  -4.520
  474    H    LYS  92           H        LYS  92  -3.862 -10.083   3.117
  475    HA   LYS  92           HA       LYS  92  -1.807 -11.383   1.834
  476   1HB   LYS  92          1HB       LYS  92  -1.044 -11.669   3.978
  477   2HB   LYS  92          2HB       LYS  92  -1.864 -10.113   3.725
  478   1HG   LYS  92          1HG       LYS  92  -3.951 -11.198   4.866
  479   2HG   LYS  92          2HG       LYS  92  -3.015 -12.657   5.122
  480   1HD   LYS  92          1HD       LYS  92  -1.624 -11.612   6.771
  481   2HD   LYS  92          2HD       LYS  92  -2.315 -10.018   6.406
  482   1HE   LYS  92          1HE       LYS  92  -4.552 -10.759   7.154
  483   2HE   LYS  92          2HE       LYS  92  -3.932 -12.371   7.497
  484   1HZ   LYS  92          1HZ       LYS  92  -2.584 -11.450   9.213
  485   2HZ   LYS  92          2HZ       LYS  92  -2.962  -9.904   8.788
  486   3HZ   LYS  92          3HZ       LYS  92  -4.117 -10.888   9.425
  487    HHA  HEC  93           HHA      HEC  93   8.577  -0.119   0.533
  488    HHB  HEC  93           HHB      HEC  93   2.161  -0.058   0.775
  489    HHC  HEC  93           HHC      HEC  93   2.280   4.297  -3.971
  490    HHD  HEC  93           HHD      HEC  93   8.529   3.251  -4.831
  491   1HMA  HEC  93          1HMA      HEC  93   3.256  -0.694   3.027
  492   2HMA  HEC  93          2HMA      HEC  93   3.401  -2.224   2.120
  493   3HMA  HEC  93          3HMA      HEC  93   4.575  -1.811   3.384
  494   1HAA  HEC  93          1HAA      HEC  93   6.803  -1.816   3.212
  495   2HAA  HEC  93          2HAA      HEC  93   7.883  -0.579   2.689
  496   1HBA  HEC  93          1HBA      HEC  93   8.024  -2.097   0.536
  497   2HBA  HEC  93          2HBA      HEC  93   7.342  -3.343   1.558
  498   1HMB  HEC  93          1HMB      HEC  93   0.126  -0.199  -1.009
  499   2HMB  HEC  93          2HMB      HEC  93   0.025   0.776   0.463
  500   3HMB  HEC  93          3HMB      HEC  93  -0.904   1.223  -0.978
  501    HAB  HEC  93           HAB      HEC  93   0.327   4.134  -3.307
  502   1HBB  HEC  93          1HBB      HEC  93  -1.769   4.415  -2.059
  503   2HBB  HEC  93          2HBB      HEC  93  -1.151   3.375  -0.768
  504   3HBB  HEC  93          3HBB      HEC  93  -0.331   4.893  -1.143
  505   1HMC  HEC  93          1HMC      HEC  93   3.171   6.043  -5.331
  506   2HMC  HEC  93          2HMC      HEC  93   4.315   5.979  -6.676
  507   3HMC  HEC  93          3HMC      HEC  93   3.121   4.692  -6.482
  508    HAC  HEC  93           HAC      HEC  93   7.882   4.388  -6.452
  509   1HBC  HEC  93          1HBC      HEC  93   7.445   6.657  -7.487
  510   2HBC  HEC  93          2HBC      HEC  93   6.261   6.912  -6.184
  511   3HBC  HEC  93          3HBC      HEC  93   7.962   6.569  -5.805
  512   1HMD  HEC  93          1HMD      HEC  93  10.159   1.801  -4.929
  513   2HMD  HEC  93          2HMD      HEC  93  11.217   2.643  -3.766
  514   3HMD  HEC  93          3HMD      HEC  93  11.229   0.864  -3.900
  515   1HAD  HEC  93          1HAD      HEC  93  10.902  -0.599  -1.164
  516   2HAD  HEC  93          2HAD      HEC  93  10.492   0.356   0.122
  517   1HBD  HEC  93          1HBD      HEC  93  12.606   0.942   0.059
  518   2HBD  HEC  93          2HBD      HEC  93  11.721   2.330  -0.593
  Start of MODEL    4
    1   1H    VAL  22          1H        VAL  22 -14.371   4.333  -0.025
    2   2H    VAL  22          2H        VAL  22 -13.187   4.464   1.117
    3   3H    VAL  22          3H        VAL  22 -14.022   5.832   0.621
    4    HA   VAL  22           HA       VAL  22 -13.211   5.424  -1.607
    5    HB   VAL  22           HB       VAL  22 -10.842   5.579   0.307
    6   1HG1  VAL  22          1HG1      VAL  22  -9.882   6.929  -1.526
    7   2HG1  VAL  22          2HG1      VAL  22 -10.372   5.345  -2.141
    8   3HG1  VAL  22          3HG1      VAL  22 -11.379   6.766  -2.461
    9   1HG2  VAL  22          1HG2      VAL  22 -12.445   7.243   1.111
   10   2HG2  VAL  22          2HG2      VAL  22 -11.167   8.057   0.205
   11   3HG2  VAL  22          3HG2      VAL  22 -12.751   7.802  -0.553
   12    H    ASP  23           H        ASP  23 -13.018   3.695  -2.755
   13    HA   ASP  23           HA       ASP  23 -12.855   1.167  -1.846
   14   1HB   ASP  23          1HB       ASP  23 -12.357   2.216  -4.659
   15   2HB   ASP  23          2HB       ASP  23 -12.849   0.566  -4.248
   16    H    ALA  24           H        ALA  24 -11.145   0.486  -0.746
   17    HA   ALA  24           HA       ALA  24  -8.634   1.387  -0.746
   18   1HB   ALA  24          1HB       ALA  24  -9.406  -1.506  -0.247
   19   2HB   ALA  24          2HB       ALA  24  -7.976  -0.637   0.377
   20   3HB   ALA  24          3HB       ALA  24  -9.607  -0.195   0.924
   21    H    GLU  25           H        GLU  25  -9.627  -1.564  -2.573
   22    HA   GLU  25           HA       GLU  25  -7.041  -1.955  -3.647
   23   1HB   GLU  25          1HB       GLU  25  -7.853  -3.723  -4.790
   24   2HB   GLU  25          2HB       GLU  25  -9.162  -3.549  -3.610
   25   1HG   GLU  25          1HG       GLU  25 -10.477  -2.322  -5.257
   26   2HG   GLU  25          2HG       GLU  25  -9.165  -2.551  -6.476
   27    H    ALA  26           H        ALA  26  -9.781   0.050  -4.782
   28    HA   ALA  26           HA       ALA  26  -8.731   0.639  -7.359
   29   1HB   ALA  26          1HB       ALA  26 -10.414   2.535  -5.709
   30   2HB   ALA  26          2HB       ALA  26 -10.258   2.441  -7.462
   31   3HB   ALA  26          3HB       ALA  26 -11.083   1.132  -6.590
   32    H    VAL  27           H        VAL  27  -8.325   2.247  -4.170
   33    HA   VAL  27           HA       VAL  27  -6.422   4.291  -4.991
   34    HB   VAL  27           HB       VAL  27  -6.472   2.726  -2.374
   35   1HG1  VAL  27          1HG1      VAL  27  -5.152   5.362  -3.125
   36   2HG1  VAL  27          2HG1      VAL  27  -5.221   4.664  -1.507
   37   3HG1  VAL  27          3HG1      VAL  27  -4.304   3.841  -2.768
   38   1HG2  VAL  27          1HG2      VAL  27  -7.697   5.418  -3.105
   39   2HG2  VAL  27          2HG2      VAL  27  -8.600   3.925  -2.760
   40   3HG2  VAL  27          3HG2      VAL  27  -7.650   4.696  -1.482
   41    H    VAL  28           H        VAL  28  -5.658   0.767  -3.907
   42    HA   VAL  28           HA       VAL  28  -3.016   1.561  -4.461
   43    HB   VAL  28           HB       VAL  28  -4.117  -1.199  -4.165
   44   1HG1  VAL  28          1HG1      VAL  28  -1.903  -1.875  -3.442
   45   2HG1  VAL  28          2HG1      VAL  28  -1.714  -0.956  -4.936
   46   3HG1  VAL  28          3HG1      VAL  28  -1.354  -0.213  -3.355
   47   1HG2  VAL  28          1HG2      VAL  28  -4.789  -0.096  -2.157
   48   2HG2  VAL  28          2HG2      VAL  28  -3.138  -0.537  -1.699
   49   3HG2  VAL  28          3HG2      VAL  28  -3.465   1.085  -2.255
   50    H    GLN  29           H        GLN  29  -5.316  -0.108  -6.367
   51    HA   GLN  29           HA       GLN  29  -3.868  -0.621  -8.753
   52   1HB   GLN  29          1HB       GLN  29  -6.815  -0.317  -8.101
   53   2HB   GLN  29          2HB       GLN  29  -6.270  -0.834  -9.665
   54   1HG   GLN  29          1HG       GLN  29  -5.661  -2.315  -7.083
   55   2HG   GLN  29          2HG       GLN  29  -6.865  -2.761  -8.296
   56   1HE2  GLN  29          1HE2      GLN  29  -4.099  -3.942  -7.256
   57   2HE2  GLN  29          2HE2      GLN  29  -3.245  -4.267  -8.761
   58    H    GLN  30           H        GLN  30  -4.580   2.457  -7.495
   59    HA   GLN  30           HA       GLN  30  -3.808   3.469 -10.186
   60   1HB   GLN  30          1HB       GLN  30  -6.394   3.789  -9.086
   61   2HB   GLN  30          2HB       GLN  30  -5.602   5.342  -8.818
   62   1HG   GLN  30          1HG       GLN  30  -5.007   5.455 -11.225
   63   2HG   GLN  30          2HG       GLN  30  -5.675   3.831 -11.477
   64   1HE2  GLN  30          1HE2      GLN  30  -6.766   6.969 -10.021
   65   2HE2  GLN  30          2HE2      GLN  30  -8.353   6.900 -10.776
   66    H    LYS  31           H        LYS  31  -3.169   3.621  -6.836
   67    HA   LYS  31           HA       LYS  31  -1.615   6.155  -7.112
   68   1HB   LYS  31          1HB       LYS  31  -3.115   4.759  -4.872
   69   2HB   LYS  31          2HB       LYS  31  -1.869   5.855  -4.485
   70   1HG   LYS  31          1HG       LYS  31  -3.700   7.003  -6.509
   71   2HG   LYS  31          2HG       LYS  31  -4.503   6.541  -5.002
   72   1HD   LYS  31          1HD       LYS  31  -2.867   7.766  -3.672
   73   2HD   LYS  31          2HD       LYS  31  -1.979   8.243  -5.138
   74   1HE   LYS  31          1HE       LYS  31  -3.495   9.852  -5.727
   75   2HE   LYS  31          2HE       LYS  31  -4.882   8.981  -5.032
   76   1HZ   LYS  31          1HZ       LYS  31  -4.355   9.628  -2.934
   77   2HZ   LYS  31          2HZ       LYS  31  -2.858  10.172  -3.272
   78   3HZ   LYS  31          3HZ       LYS  31  -4.202  11.012  -3.789
   79    H    CYS  32           H        CYS  32  -1.309   2.685  -6.613
   80    HA   CYS  32           HA       CYS  32   1.473   3.082  -5.577
   81   1HB   CYS  32          1HB       CYS  32  -0.308   0.747  -5.099
   82   2HB   CYS  32          2HB       CYS  32   1.099   1.204  -4.163
   83    H    ILE  33           H        ILE  33  -0.637   1.013  -7.620
   84    HA   ILE  33           HA       ILE  33   1.248  -0.744  -8.623
   85    HB   ILE  33           HB       ILE  33  -0.037  -0.775 -10.718
   86   1HG1  ILE  33          1HG1      ILE  33  -1.947   1.268  -9.550
   87   2HG1  ILE  33          2HG1      ILE  33  -0.661   1.741 -10.655
   88   1HG2  ILE  33          1HG2      ILE  33  -2.104  -1.665  -9.725
   89   2HG2  ILE  33          2HG2      ILE  33  -0.689  -2.148  -8.798
   90   3HG2  ILE  33          3HG2      ILE  33  -1.714  -0.867  -8.187
   91   1HD1  ILE  33          1HD1      ILE  33  -2.659   1.415 -11.934
   92   2HD1  ILE  33          2HD1      ILE  33  -1.450   0.203 -12.381
   93   3HD1  ILE  33          3HD1      ILE  33  -2.827  -0.255 -11.356
   94    H    SER  34           H        SER  34   0.942   2.693  -9.359
   95    HA   SER  34           HA       SER  34   2.373   3.161 -11.576
   96   1HB   SER  34          1HB       SER  34   2.815   4.602  -8.935
   97   2HB   SER  34          2HB       SER  34   2.825   5.298 -10.567
   98    HG   SER  34           HG       SER  34   0.582   4.822 -10.680
   99    H    CYS  35           H        CYS  35   3.728   2.065  -8.447
  100    HA   CYS  35           HA       CYS  35   6.364   1.742  -9.821
  101   1HB   CYS  35          1HB       CYS  35   6.205   2.157  -6.831
  102   2HB   CYS  35          2HB       CYS  35   7.573   2.284  -7.918
  103    H    HIS  36           H        HIS  36   4.096   0.440  -7.336
  104    HA   HIS  36           HA       HIS  36   5.672  -1.954  -6.980
  105   1HB   HIS  36          1HB       HIS  36   2.869  -1.160  -6.182
  106   2HB   HIS  36          2HB       HIS  36   3.607  -2.723  -5.771
  107    HD1  HIS  36           1HD      HIS  36   5.749  -2.676  -4.084
  108    HD2  HIS  36           2HD      HIS  36   3.684   0.970  -4.706
  109    HE1  HIS  36           1HE      HIS  36   6.440  -1.089  -2.218
  110    H    GLY  37           H        GLY  37   3.533  -1.073  -9.549
  111   1HA   GLY  37          1HA       GLY  37   3.300  -2.264 -11.506
  112   2HA   GLY  37          2HA       GLY  37   3.856  -3.759 -10.734
  113    H    GLY  38           H        GLY  38   1.503  -3.456 -12.397
  114   1HA   GLY  38          1HA       GLY  38  -0.945  -2.947 -11.404
  115   2HA   GLY  38          2HA       GLY  38  -0.628  -4.309 -12.477
  116    H    ASP  39           H        ASP  39   0.527  -6.226 -11.099
  117    HA   ASP  39           HA       ASP  39  -1.576  -7.121  -9.302
  118   1HB   ASP  39          1HB       ASP  39   1.016  -8.437 -10.188
  119   2HB   ASP  39          2HB       ASP  39  -0.308  -9.234  -9.323
  120    H    LEU  40           H        LEU  40   0.974  -5.110  -8.653
  121    HA   LEU  40           HA       LEU  40   2.145  -4.488  -6.848
  122   1HB   LEU  40          1HB       LEU  40   0.014  -6.020  -5.311
  123   2HB   LEU  40          2HB       LEU  40   1.094  -4.807  -4.653
  124    HG   LEU  40           HG       LEU  40  -0.473  -3.982  -7.110
  125   1HD1  LEU  40          1HD1      LEU  40  -2.414  -3.349  -5.782
  126   2HD1  LEU  40          2HD1      LEU  40  -2.220  -5.106  -5.924
  127   3HD1  LEU  40          3HD1      LEU  40  -1.787  -4.288  -4.403
  128   1HD2  LEU  40          1HD2      LEU  40  -0.248  -1.860  -6.221
  129   2HD2  LEU  40          2HD2      LEU  40   0.009  -2.482  -4.568
  130   3HD2  LEU  40          3HD2      LEU  40   1.268  -2.641  -5.788
  131    H    THR  41           H        THR  41   2.785  -6.927  -8.273
  132    HA   THR  41           HA       THR  41   4.108  -8.781  -6.516
  133    HB   THR  41           HB       THR  41   4.873  -9.468  -8.950
  134    HG1  THR  41           1HG      THR  41   3.390  -8.537 -10.499
  135   1HG2  THR  41          1HG2      THR  41   2.613 -10.452  -9.407
  136   2HG2  THR  41          2HG2      THR  41   3.124 -10.682  -7.724
  137   3HG2  THR  41          3HG2      THR  41   1.928  -9.438  -8.122
  138    H    GLY  42           H        GLY  42   4.870  -5.611  -7.734
  139   1HA   GLY  42          1HA       GLY  42   6.614  -4.501  -6.781
  140   2HA   GLY  42          2HA       GLY  42   7.552  -5.987  -6.567
  141    H    ALA  43           H        ALA  43   6.432  -3.658  -9.006
  142    HA   ALA  43           HA       ALA  43   8.374  -4.601 -11.000
  143   1HB   ALA  43          1HB       ALA  43   6.249  -3.823 -11.780
  144   2HB   ALA  43          2HB       ALA  43   6.450  -2.246 -11.005
  145   3HB   ALA  43          3HB       ALA  43   7.508  -2.714 -12.354
  146    H    SER  44           H        SER  44   7.956  -1.213  -9.949
  147    HA   SER  44           HA       SER  44  10.897  -0.796  -9.941
  148   1HB   SER  44          1HB       SER  44   8.515   1.086  -9.932
  149   2HB   SER  44          2HB       SER  44  10.191   1.621  -9.757
  150    HG   SER  44           HG       SER  44   9.639   1.697 -11.926
  151    H    ALA  45           H        ALA  45   8.775  -1.919  -7.728
  152    HA   ALA  45           HA       ALA  45  10.165  -0.812  -5.378
  153   1HB   ALA  45          1HB       ALA  45   7.146  -0.775  -5.820
  154   2HB   ALA  45          2HB       ALA  45   7.978  -0.332  -4.321
  155   3HB   ALA  45          3HB       ALA  45   8.177   0.653  -5.776
  156    HA   PRO  46           HA       PRO  46   9.850  -5.128  -4.523
  157   1HB   PRO  46          1HB       PRO  46   9.324  -5.362  -1.817
  158   2HB   PRO  46          2HB       PRO  46  10.893  -4.826  -2.484
  159   1HG   PRO  46          1HG       PRO  46   8.598  -3.094  -1.551
  160   2HG   PRO  46          2HG       PRO  46  10.316  -2.981  -1.059
  161   1HD   PRO  46          1HD       PRO  46   9.322  -1.389  -3.001
  162   2HD   PRO  46          2HD       PRO  46  10.929  -2.131  -3.241
  163    H    ALA  47           H        ALA  47   8.416  -6.890  -3.846
  164    HA   ALA  47           HA       ALA  47   5.731  -6.552  -4.760
  165   1HB   ALA  47          1HB       ALA  47   6.916  -8.824  -3.093
  166   2HB   ALA  47          2HB       ALA  47   5.465  -8.889  -4.114
  167   3HB   ALA  47          3HB       ALA  47   7.073  -8.705  -4.849
  168    H    ILE  48           H        ILE  48   4.019  -5.769  -3.627
  169    HA   ILE  48           HA       ILE  48   4.097  -6.063  -0.663
  170    HB   ILE  48           HB       ILE  48   3.047  -3.967  -0.247
  171   1HG1  ILE  48          1HG1      ILE  48   3.274  -2.148  -2.017
  172   2HG1  ILE  48          2HG1      ILE  48   3.306  -3.433  -3.206
  173   1HG2  ILE  48          1HG2      ILE  48   5.510  -4.245  -0.188
  174   2HG2  ILE  48          2HG2      ILE  48   5.589  -3.647  -1.858
  175   3HG2  ILE  48          3HG2      ILE  48   5.007  -2.591  -0.563
  176   1HD1  ILE  48          1HD1      ILE  48   0.981  -4.068  -2.436
  177   2HD1  ILE  48          2HD1      ILE  48   1.137  -2.949  -1.063
  178   3HD1  ILE  48          3HD1      ILE  48   1.054  -2.307  -2.697
  179    H    ASP  49           H        ASP  49   2.575  -7.212  -3.382
  180    HA   ASP  49           HA       ASP  49  -0.051  -7.422  -2.481
  181   1HB   ASP  49          1HB       ASP  49  -0.329  -9.117  -3.944
  182   2HB   ASP  49          2HB       ASP  49   1.174  -8.473  -4.591
  183    H    LYS  50           H        LYS  50   2.805  -9.024  -1.148
  184    HA   LYS  50           HA       LYS  50   1.161 -10.385   0.941
  185   1HB   LYS  50          1HB       LYS  50   3.812 -10.988  -0.301
  186   2HB   LYS  50          2HB       LYS  50   3.694 -11.268   1.431
  187   1HG   LYS  50          1HG       LYS  50   3.100 -13.306   0.395
  188   2HG   LYS  50          2HG       LYS  50   1.628 -12.630   1.121
  189   1HD   LYS  50          1HD       LYS  50   1.030 -11.652  -1.103
  190   2HD   LYS  50          2HD       LYS  50   2.497 -12.376  -1.790
  191   1HE   LYS  50          1HE       LYS  50   1.482 -14.648  -1.093
  192   2HE   LYS  50          2HE       LYS  50   0.007 -13.744  -0.685
  193   1HZ   LYS  50          1HZ       LYS  50  -0.238 -14.417  -2.923
  194   2HZ   LYS  50          2HZ       LYS  50   0.222 -12.817  -3.013
  195   3HZ   LYS  50          3HZ       LYS  50   1.307 -13.967  -3.320
  196    H    ALA  51           H        ALA  51   2.270  -7.365   0.688
  197    HA   ALA  51           HA       ALA  51   3.898  -7.026   2.994
  198   1HB   ALA  51          1HB       ALA  51   1.961  -5.161   1.623
  199   2HB   ALA  51          2HB       ALA  51   3.000  -4.680   2.969
  200   3HB   ALA  51          3HB       ALA  51   3.728  -5.269   1.460
  201    H    GLY  52           H        GLY  52   0.321  -7.448   2.686
  202   1HA   GLY  52          1HA       GLY  52  -0.332  -6.929   5.391
  203   2HA   GLY  52          2HA       GLY  52  -1.178  -8.033   4.282
  204    H    ALA  53           H        ALA  53   1.117  -9.816   3.872
  205    HA   ALA  53           HA       ALA  53   0.764 -11.489   6.253
  206   1HB   ALA  53          1HB       ALA  53   2.130 -13.095   5.054
  207   2HB   ALA  53          2HB       ALA  53   0.866 -12.470   3.977
  208   3HB   ALA  53          3HB       ALA  53   2.542 -11.900   3.814
  209    H    ASN  54           H        ASN  54   3.353  -9.577   4.717
  210    HA   ASN  54           HA       ASN  54   5.399 -10.405   6.608
  211   1HB   ASN  54          1HB       ASN  54   5.312  -8.103   4.610
  212   2HB   ASN  54          2HB       ASN  54   6.706  -8.504   5.611
  213   1HD2  ASN  54          1HD2      ASN  54   4.610  -9.797   3.001
  214   2HD2  ASN  54          2HD2      ASN  54   5.855 -10.878   2.389
  215    H    TYR  55           H        TYR  55   3.219  -7.617   6.374
  216    HA   TYR  55           HA       TYR  55   4.267  -6.454   8.906
  217   1HB   TYR  55          1HB       TYR  55   3.388  -4.844   6.499
  218   2HB   TYR  55          2HB       TYR  55   4.277  -4.299   7.916
  219    HD1  TYR  55           1HD      TYR  55   4.644  -4.719   4.542
  220    HD2  TYR  55           2HD      TYR  55   6.639  -5.747   8.218
  221    HE1  TYR  55           1HE      TYR  55   6.803  -4.844   3.331
  222    HE2  TYR  55           2HE      TYR  55   8.792  -5.903   6.995
  223    HH   TYR  55           HH       TYR  55   9.191  -4.906   3.627
  224    H    SER  56           H        SER  56   2.593  -5.050   9.935
  225    HA   SER  56           HA       SER  56  -0.145  -6.147   9.448
  226   1HB   SER  56          1HB       SER  56   1.074  -4.678  11.816
  227   2HB   SER  56          2HB       SER  56  -0.623  -5.179  11.697
  228    HG   SER  56           HG       SER  56   1.568  -6.955  11.363
  229    H    GLU  57           H        GLU  57  -1.979  -4.604   9.615
  230    HA   GLU  57           HA       GLU  57  -1.898  -2.656   7.663
  231   1HB   GLU  57          1HB       GLU  57  -3.950  -1.709   8.881
  232   2HB   GLU  57          2HB       GLU  57  -4.071  -3.335   8.239
  233   1HG   GLU  57          1HG       GLU  57  -4.010  -4.347  10.356
  234   2HG   GLU  57          2HG       GLU  57  -3.212  -2.970  11.134
  235    H    GLU  58           H        GLU  58  -1.451  -2.101  11.186
  236    HA   GLU  58           HA       GLU  58  -0.998   0.604  11.265
  237   1HB   GLU  58          1HB       GLU  58   0.651   0.037  13.142
  238   2HB   GLU  58          2HB       GLU  58  -1.018  -0.505  13.298
  239   1HG   GLU  58          1HG       GLU  58  -0.370  -2.817  12.675
  240   2HG   GLU  58          2HG       GLU  58   1.316  -2.287  12.484
  241    H    GLU  59           H        GLU  59   1.594  -1.794  10.553
  242    HA   GLU  59           HA       GLU  59   3.702   0.065  10.165
  243   1HB   GLU  59          1HB       GLU  59   3.156  -2.677   8.961
  244   2HB   GLU  59          2HB       GLU  59   4.705  -1.843   8.830
  245   1HG   GLU  59          1HG       GLU  59   3.584  -2.282  11.609
  246   2HG   GLU  59          2HG       GLU  59   4.259  -3.659  10.725
  247    H    ILE  60           H        ILE  60   1.431  -1.451   7.885
  248    HA   ILE  60           HA       ILE  60   2.658  -0.369   5.515
  249    HB   ILE  60           HB       ILE  60  -0.181  -1.352   5.887
  250   1HG1  ILE  60          1HG1      ILE  60   2.284  -2.930   5.001
  251   2HG1  ILE  60          2HG1      ILE  60   1.562  -3.036   6.600
  252   1HG2  ILE  60          1HG2      ILE  60  -0.465  -1.330   3.627
  253   2HG2  ILE  60          2HG2      ILE  60   0.827  -0.115   3.641
  254   3HG2  ILE  60          3HG2      ILE  60   1.205  -1.795   3.286
  255   1HD1  ILE  60          1HD1      ILE  60  -0.608  -3.753   5.542
  256   2HD1  ILE  60          2HD1      ILE  60   0.298  -3.917   4.012
  257   3HD1  ILE  60          3HD1      ILE  60   0.753  -4.881   5.429
  258    H    LEU  61           H        LEU  61  -0.144   0.568   7.490
  259    HA   LEU  61           HA       LEU  61  -1.078   2.835   6.163
  260   1HB   LEU  61          1HB       LEU  61  -2.124   1.720   8.104
  261   2HB   LEU  61          2HB       LEU  61  -0.871   2.317   9.165
  262    HG   LEU  61           HG       LEU  61  -1.530   4.635   8.756
  263   1HD1  LEU  61          1HD1      LEU  61  -3.666   3.366   7.005
  264   2HD1  LEU  61          2HD1      LEU  61  -3.749   5.046   7.581
  265   3HD1  LEU  61          3HD1      LEU  61  -2.434   4.547   6.510
  266   1HD2  LEU  61          1HD2      LEU  61  -3.664   4.573   9.960
  267   2HD2  LEU  61          2HD2      LEU  61  -3.865   2.854   9.555
  268   3HD2  LEU  61          3HD2      LEU  61  -2.535   3.373  10.617
  269    H    ASP  62           H        ASP  62   1.373   2.596   8.800
  270    HA   ASP  62           HA       ASP  62   2.022   5.354   8.764
  271   1HB   ASP  62          1HB       ASP  62   3.135   2.959  10.012
  272   2HB   ASP  62          2HB       ASP  62   4.436   3.950   9.362
  273    H    ILE  63           H        ILE  63   3.375   2.618   6.877
  274    HA   ILE  63           HA       ILE  63   5.405   4.222   5.604
  275    HB   ILE  63           HB       ILE  63   4.104   1.556   5.025
  276   1HG1  ILE  63          1HG1      ILE  63   7.055   2.196   5.180
  277   2HG1  ILE  63          2HG1      ILE  63   6.091   2.118   6.664
  278   1HG2  ILE  63          1HG2      ILE  63   5.723   1.324   3.078
  279   2HG2  ILE  63          2HG2      ILE  63   4.276   2.284   2.784
  280   3HG2  ILE  63          3HG2      ILE  63   5.852   3.081   3.063
  281   1HD1  ILE  63          1HD1      ILE  63   5.414  -0.165   6.218
  282   2HD1  ILE  63          2HD1      ILE  63   6.242  -0.162   4.651
  283   3HD1  ILE  63          3HD1      ILE  63   7.182  -0.045   6.147
  284    H    ILE  64           H        ILE  64   2.037   3.526   4.626
  285    HA   ILE  64           HA       ILE  64   2.153   4.893   2.115
  286    HB   ILE  64           HB       ILE  64  -0.117   4.371   4.070
  287   1HG1  ILE  64          1HG1      ILE  64   0.331   3.003   1.415
  288   2HG1  ILE  64          2HG1      ILE  64   1.281   2.472   2.805
  289   1HG2  ILE  64          1HG2      ILE  64  -1.593   4.732   2.037
  290   2HG2  ILE  64          2HG2      ILE  64  -0.850   6.200   2.682
  291   3HG2  ILE  64          3HG2      ILE  64  -0.181   5.440   1.227
  292   1HD1  ILE  64          1HD1      ILE  64  -1.753   2.584   2.774
  293   2HD1  ILE  64          2HD1      ILE  64  -0.727   1.135   2.617
  294   3HD1  ILE  64          3HD1      ILE  64  -0.746   2.051   4.118
  295    H    LEU  65           H        LEU  65   1.178   5.986   5.376
  296    HA   LEU  65           HA       LEU  65   0.608   8.682   4.599
  297   1HB   LEU  65          1HB       LEU  65   1.272   7.414   7.270
  298   2HB   LEU  65          2HB       LEU  65   0.682   9.066   7.082
  299    HG   LEU  65           HG       LEU  65  -0.968   6.629   6.197
  300   1HD1  LEU  65          1HD1      LEU  65  -2.183   6.970   8.310
  301   2HD1  LEU  65          2HD1      LEU  65  -0.473   6.660   8.677
  302   3HD1  LEU  65          3HD1      LEU  65  -1.109   8.311   8.753
  303   1HD2  LEU  65          1HD2      LEU  65  -1.654   9.551   6.579
  304   2HD2  LEU  65          2HD2      LEU  65  -1.590   8.588   5.070
  305   3HD2  LEU  65          3HD2      LEU  65  -2.809   8.235   6.307
  306    H    ASN  66           H        ASN  66   3.583   7.098   5.576
  307    HA   ASN  66           HA       ASN  66   5.025   9.644   6.088
  308   1HB   ASN  66          1HB       ASN  66   5.659   6.706   6.628
  309   2HB   ASN  66          2HB       ASN  66   6.851   7.952   6.771
  310   1HD2  ASN  66          1HD2      ASN  66   3.620   7.103   7.913
  311   2HD2  ASN  66          2HD2      ASN  66   3.939   7.405   9.586
  312    H    GLY  67           H        GLY  67   5.600   6.544   4.345
  313   1HA   GLY  67          1HA       GLY  67   6.530   6.787   2.001
  314   2HA   GLY  67          2HA       GLY  67   7.789   7.781   2.768
  315    H    GLN  68           H        GLN  68   9.022   6.021   1.723
  316    HA   GLN  68           HA       GLN  68  10.104   4.242   3.667
  317   1HB   GLN  68          1HB       GLN  68   8.480   2.505   2.605
  318   2HB   GLN  68          2HB       GLN  68   8.968   3.119   1.043
  319   1HG   GLN  68          1HG       GLN  68   9.848   0.989   1.727
  320   2HG   GLN  68          2HG       GLN  68  11.129   2.130   1.253
  321   1HE2  GLN  68          1HE2      GLN  68  10.424  -0.397   3.235
  322   2HE2  GLN  68          2HE2      GLN  68  11.393   0.063   4.625
  323    H    GLY  69           H        GLY  69  12.373   3.707   2.694
  324   1HA   GLY  69          1HA       GLY  69  13.859   5.731   1.988
  325   2HA   GLY  69          2HA       GLY  69  14.196   4.159   1.264
  326    H    GLY  70           H        GLY  70  13.026   3.740  -0.920
  327   1HA   GLY  70          1HA       GLY  70  13.295   6.099  -2.652
  328   2HA   GLY  70          2HA       GLY  70  13.110   4.411  -3.120
  329    H    MET  71           H        MET  71  10.801   5.707  -0.819
  330    HA   MET  71           HA       MET  71   8.690   5.766  -2.935
  331   1HB   MET  71          1HB       MET  71   8.626   3.888  -1.324
  332   2HB   MET  71          2HB       MET  71   8.560   5.037  -0.010
  333   1HG   MET  71          1HG       MET  71   6.441   5.823  -0.548
  334   2HG   MET  71          2HG       MET  71   6.395   5.011  -2.112
  335   1HE   MET  71          1HE       MET  71   4.624   5.032   0.968
  336   2HE   MET  71          2HE       MET  71   3.914   4.694  -0.629
  337   3HE   MET  71          3HE       MET  71   3.786   3.494   0.676
  338    HA   PRO  72           HA       PRO  72   8.624  10.037  -1.745
  339   1HB   PRO  72          1HB       PRO  72   6.215  10.905  -2.781
  340   2HB   PRO  72          2HB       PRO  72   7.654  10.521  -3.767
  341   1HG   PRO  72          1HG       PRO  72   5.314   8.706  -3.156
  342   2HG   PRO  72          2HG       PRO  72   6.042   9.046  -4.751
  343   1HD   PRO  72          1HD       PRO  72   6.709   6.833  -3.385
  344   2HD   PRO  72          2HD       PRO  72   7.997   7.778  -4.194
  345    H    GLY  73           H        GLY  73   5.672   8.202  -1.025
  346   1HA   GLY  73          1HA       GLY  73   4.653   7.915   1.043
  347   2HA   GLY  73          2HA       GLY  73   5.791   9.079   1.747
  348    H    GLY  74           H        GLY  74   2.985   8.913   2.292
  349   1HA   GLY  74          1HA       GLY  74   1.196  10.297   2.579
  350   2HA   GLY  74          2HA       GLY  74   2.158  11.667   1.978
  351    H    ILE  75           H        ILE  75   2.003   8.854  -0.033
  352    HA   ILE  75           HA       ILE  75   0.812  10.154  -2.253
  353    HB   ILE  75           HB       ILE  75   1.427   7.295  -1.464
  354   1HG1  ILE  75          1HG1      ILE  75   3.171   8.968  -2.271
  355   2HG1  ILE  75          2HG1      ILE  75   3.114   7.397  -3.086
  356   1HG2  ILE  75          1HG2      ILE  75   0.820   6.565  -3.774
  357   2HG2  ILE  75          2HG2      ILE  75  -0.561   6.921  -2.728
  358   3HG2  ILE  75          3HG2      ILE  75  -0.066   8.088  -3.974
  359   1HD1  ILE  75          1HD1      ILE  75   3.444   9.289  -4.666
  360   2HD1  ILE  75          2HD1      ILE  75   1.986   8.366  -5.025
  361   3HD1  ILE  75          3HD1      ILE  75   1.865   9.944  -4.219
  362    H    ALA  76           H        ALA  76  -0.550   8.305   0.452
  363    HA   ALA  76           HA       ALA  76  -3.213   9.136  -0.418
  364   1HB   ALA  76          1HB       ALA  76  -3.257   6.810  -1.064
  365   2HB   ALA  76          2HB       ALA  76  -2.352   6.320   0.381
  366   3HB   ALA  76          3HB       ALA  76  -4.024   6.862   0.541
  367    H    LYS  77           H        LYS  77  -4.541   9.726   1.426
  368    HA   LYS  77           HA       LYS  77  -3.336   9.320   4.081
  369   1HB   LYS  77          1HB       LYS  77  -3.713  12.037   2.766
  370   2HB   LYS  77          2HB       LYS  77  -3.724  11.801   4.509
  371   1HG   LYS  77          1HG       LYS  77  -1.458  10.626   4.254
  372   2HG   LYS  77          2HG       LYS  77  -1.423  11.211   2.598
  373   1HD   LYS  77          1HD       LYS  77  -1.089  13.393   3.192
  374   2HD   LYS  77          2HD       LYS  77  -1.913  13.271   4.745
  375   1HE   LYS  77          1HE       LYS  77   0.800  11.968   4.157
  376   2HE   LYS  77          2HE       LYS  77   0.622  13.580   4.852
  377   1HZ   LYS  77          1HZ       LYS  77   0.986  11.870   6.492
  378   2HZ   LYS  77          2HZ       LYS  77  -0.459  12.629   6.736
  379   3HZ   LYS  77          3HZ       LYS  77  -0.409  11.118   6.086
  380    H    GLY  78           H        GLY  78  -4.618   9.734   5.877
  381   1HA   GLY  78          1HA       GLY  78  -6.548   9.514   7.080
  382   2HA   GLY  78          2HA       GLY  78  -7.369  10.418   5.792
  383    H    ALA  79           H        ALA  79  -9.191   9.176   5.625
  384    HA   ALA  79           HA       ALA  79  -9.669   6.527   5.808
  385   1HB   ALA  79          1HB       ALA  79 -11.403   8.226   5.402
  386   2HB   ALA  79          2HB       ALA  79 -10.866   8.389   3.713
  387   3HB   ALA  79          3HB       ALA  79 -11.570   6.860   4.281
  388    H    GLU  80           H        GLU  80  -8.211   8.147   3.031
  389    HA   GLU  80           HA       GLU  80  -8.251   6.090   1.100
  390   1HB   GLU  80          1HB       GLU  80  -7.564   8.643   1.074
  391   2HB   GLU  80          2HB       GLU  80  -5.985   8.038   1.565
  392   1HG   GLU  80          1HG       GLU  80  -5.987   6.647  -0.555
  393   2HG   GLU  80          2HG       GLU  80  -7.492   7.458  -1.008
  394    H    ALA  81           H        ALA  81  -5.655   6.946   3.534
  395    HA   ALA  81           HA       ALA  81  -4.010   4.716   2.743
  396   1HB   ALA  81          1HB       ALA  81  -3.852   6.485   5.205
  397   2HB   ALA  81          2HB       ALA  81  -2.554   5.487   4.498
  398   3HB   ALA  81          3HB       ALA  81  -3.160   6.895   3.618
  399    H    GLU  82           H        GLU  82  -6.354   5.413   5.365
  400    HA   GLU  82           HA       GLU  82  -5.923   3.068   6.942
  401   1HB   GLU  82          1HB       GLU  82  -8.411   4.732   6.404
  402   2HB   GLU  82          2HB       GLU  82  -8.326   3.457   7.621
  403   1HG   GLU  82          1HG       GLU  82  -6.597   4.613   8.849
  404   2HG   GLU  82          2HG       GLU  82  -6.419   5.842   7.589
  405    H    ALA  83           H        ALA  83  -8.221   3.679   4.263
  406    HA   ALA  83           HA       ALA  83  -9.325   1.106   4.068
  407   1HB   ALA  83          1HB       ALA  83 -10.241   3.093   2.936
  408   2HB   ALA  83          2HB       ALA  83  -8.844   3.137   1.839
  409   3HB   ALA  83          3HB       ALA  83  -9.980   1.780   1.793
  410    H    VAL  84           H        VAL  84  -6.510   2.513   2.259
  411    HA   VAL  84           HA       VAL  84  -5.688   0.171   0.936
  412    HB   VAL  84           HB       VAL  84  -3.952   2.348   2.179
  413   1HG1  VAL  84          1HG1      VAL  84  -2.175   1.430   0.719
  414   2HG1  VAL  84          2HG1      VAL  84  -2.609   0.274   1.974
  415   3HG1  VAL  84          3HG1      VAL  84  -3.213   0.039   0.342
  416   1HG2  VAL  84          1HG2      VAL  84  -5.160   3.278   0.338
  417   2HG2  VAL  84          2HG2      VAL  84  -3.552   2.864  -0.278
  418   3HG2  VAL  84          3HG2      VAL  84  -4.945   1.817  -0.637
  419    H    ALA  85           H        ALA  85  -4.462   1.262   4.152
  420    HA   ALA  85           HA       ALA  85  -2.798  -0.889   4.676
  421   1HB   ALA  85          1HB       ALA  85  -4.442   0.755   6.646
  422   2HB   ALA  85          2HB       ALA  85  -3.027  -0.243   7.031
  423   3HB   ALA  85          3HB       ALA  85  -2.852   1.169   5.964
  424    H    ALA  86           H        ALA  86  -6.257  -0.582   5.662
  425    HA   ALA  86           HA       ALA  86  -6.461  -3.118   6.929
  426   1HB   ALA  86          1HB       ALA  86  -8.149  -1.362   7.163
  427   2HB   ALA  86          2HB       ALA  86  -8.576  -1.493   5.444
  428   3HB   ALA  86          3HB       ALA  86  -8.895  -2.851   6.547
  429    H    TRP  87           H        TRP  87  -7.351  -2.181   3.562
  430    HA   TRP  87           HA       TRP  87  -8.067  -4.766   2.634
  431   1HB   TRP  87          1HB       TRP  87  -8.674  -2.746   1.522
  432   2HB   TRP  87          2HB       TRP  87  -6.971  -2.288   1.325
  433    HD1  TRP  87           HD       TRP  87  -9.569  -4.585  -0.319
  434    HE1  TRP  87           1HE      TRP  87  -8.573  -5.591  -2.430
  435    HE3  TRP  87           3HE      TRP  87  -4.970  -2.307  -0.215
  436    HZ2  TRP  87           2HZ      TRP  87  -4.990  -5.283  -2.605
  437    HZ3  TRP  87           3HZ      TRP  87  -3.592  -2.466  -2.310
  438    HH2  TRP  87           HH       TRP  87  -4.433  -3.627  -4.284
  439    H    LEU  88           H        LEU  88  -4.920  -3.175   2.904
  440    HA   LEU  88           HA       LEU  88  -3.556  -5.148   1.349
  441   1HB   LEU  88          1HB       LEU  88  -2.917  -2.588   2.174
  442   2HB   LEU  88          2HB       LEU  88  -1.841  -3.585   3.129
  443    HG   LEU  88           HG       LEU  88  -1.001  -2.815   0.914
  444   1HD1  LEU  88          1HD1      LEU  88  -1.213  -5.831   0.736
  445   2HD1  LEU  88          2HD1      LEU  88   0.117  -4.714   0.342
  446   3HD1  LEU  88          3HD1      LEU  88  -0.277  -5.058   2.039
  447   1HD2  LEU  88          1HD2      LEU  88  -3.002  -4.408  -0.535
  448   2HD2  LEU  88          2HD2      LEU  88  -2.771  -2.634  -0.340
  449   3HD2  LEU  88          3HD2      LEU  88  -1.550  -3.614  -1.162
  450    H    ALA  89           H        ALA  89  -3.932  -4.566   4.851
  451    HA   ALA  89           HA       ALA  89  -2.509  -6.873   5.768
  452   1HB   ALA  89          1HB       ALA  89  -3.155  -5.134   7.281
  453   2HB   ALA  89          2HB       ALA  89  -4.888  -5.422   6.971
  454   3HB   ALA  89          3HB       ALA  89  -3.906  -6.658   7.788
  455    H    GLU  90           H        GLU  90  -5.779  -6.435   4.464
  456    HA   GLU  90           HA       GLU  90  -6.670  -9.113   4.967
  457   1HB   GLU  90          1HB       GLU  90  -7.985  -6.955   4.566
  458   2HB   GLU  90          2HB       GLU  90  -7.623  -7.173   2.852
  459   1HG   GLU  90          1HG       GLU  90  -8.691  -9.561   3.171
  460   2HG   GLU  90          2HG       GLU  90  -9.419  -8.829   4.610
  461    H    LYS  91           H        LYS  91  -4.583  -7.784   2.529
  462    HA   LYS  91           HA       LYS  91  -5.347  -9.123   0.259
  463   1HB   LYS  91          1HB       LYS  91  -3.717  -7.132   0.876
  464   2HB   LYS  91          2HB       LYS  91  -2.450  -8.314   0.630
  465   1HG   LYS  91          1HG       LYS  91  -4.520  -7.124  -1.267
  466   2HG   LYS  91          2HG       LYS  91  -2.794  -6.786  -1.189
  467   1HD   LYS  91          1HD       LYS  91  -2.938  -8.083  -3.068
  468   2HD   LYS  91          2HD       LYS  91  -2.382  -9.235  -1.848
  469   1HE   LYS  91          1HE       LYS  91  -4.703 -10.066  -1.553
  470   2HE   LYS  91          2HE       LYS  91  -5.308  -8.804  -2.623
  471   1HZ   LYS  91          1HZ       LYS  91  -3.730 -11.160  -3.319
  472   2HZ   LYS  91          2HZ       LYS  91  -5.161 -10.649  -3.964
  473   3HZ   LYS  91          3HZ       LYS  91  -3.766  -9.858  -4.329
  474    H    LYS  92           H        LYS  92  -4.465 -11.069   2.631
  475    HA   LYS  92           HA       LYS  92  -1.627 -11.288   1.866
  476   1HB   LYS  92          1HB       LYS  92  -1.271 -11.241   4.107
  477   2HB   LYS  92          2HB       LYS  92  -2.497 -10.030   3.605
  478   1HG   LYS  92          1HG       LYS  92  -4.244 -11.152   4.741
  479   2HG   LYS  92          2HG       LYS  92  -3.401 -12.701   4.771
  480   1HD   LYS  92          1HD       LYS  92  -1.912 -12.054   6.469
  481   2HD   LYS  92          2HD       LYS  92  -2.331 -10.339   6.331
  482   1HE   LYS  92          1HE       LYS  92  -4.529 -10.664   7.248
  483   2HE   LYS  92          2HE       LYS  92  -4.409 -12.424   7.129
  484   1HZ   LYS  92          1HZ       LYS  92  -2.767 -12.403   8.826
  485   2HZ   LYS  92          2HZ       LYS  92  -2.714 -10.756   8.867
  486   3HZ   LYS  92          3HZ       LYS  92  -4.068 -11.551   9.365
  487    HHA  HEC  93           HHA      HEC  93   8.578  -0.123   0.431
  488    HHB  HEC  93           HHB      HEC  93   2.153   0.020   0.664
  489    HHC  HEC  93           HHC      HEC  93   2.334   4.456  -4.020
  490    HHD  HEC  93           HHD      HEC  93   8.561   3.285  -4.913
  491   1HMA  HEC  93          1HMA      HEC  93   3.359  -0.646   3.046
  492   2HMA  HEC  93          2HMA      HEC  93   3.216  -2.034   1.932
  493   3HMA  HEC  93          3HMA      HEC  93   4.521  -1.979   3.124
  494   1HAA  HEC  93          1HAA      HEC  93   6.741  -1.875   3.063
  495   2HAA  HEC  93          2HAA      HEC  93   7.845  -0.623   2.609
  496   1HBA  HEC  93          1HBA      HEC  93   7.974  -2.083   0.399
  497   2HBA  HEC  93          2HBA      HEC  93   7.312  -3.356   1.413
  498   1HMB  HEC  93          1HMB      HEC  93   0.000   0.942   0.358
  499   2HMB  HEC  93          2HMB      HEC  93  -0.904   1.354  -1.115
  500   3HMB  HEC  93          3HMB      HEC  93   0.122  -0.074  -1.085
  501    HAB  HEC  93           HAB      HEC  93   0.403   4.377  -3.270
  502   1HBB  HEC  93          1HBB      HEC  93  -1.074   3.542  -0.755
  503   2HBB  HEC  93          2HBB      HEC  93  -0.141   5.023  -1.020
  504   3HBB  HEC  93          3HBB      HEC  93  -1.623   4.730  -1.950
  505   1HMC  HEC  93          1HMC      HEC  93   4.350   5.996  -6.810
  506   2HMC  HEC  93          2HMC      HEC  93   3.092   4.805  -6.470
  507   3HMC  HEC  93          3HMC      HEC  93   3.298   6.207  -5.404
  508    HAC  HEC  93           HAC      HEC  93   7.922   4.433  -6.540
  509   1HBC  HEC  93          1HBC      HEC  93   7.376   6.671  -7.674
  510   2HBC  HEC  93          2HBC      HEC  93   6.289   6.945  -6.295
  511   3HBC  HEC  93          3HBC      HEC  93   8.020   6.638  -6.036
  512   1HMD  HEC  93          1HMD      HEC  93  11.185   0.793  -4.040
  513   2HMD  HEC  93          2HMD      HEC  93  10.165   1.813  -5.035
  514   3HMD  HEC  93          3HMD      HEC  93  11.274   2.561  -3.858
  515   1HAD  HEC  93          1HAD      HEC  93  10.839  -0.701  -1.321
  516   2HAD  HEC  93          2HAD      HEC  93  10.534   0.265  -0.024
  517   1HBD  HEC  93          1HBD      HEC  93  12.599   0.947  -0.131
  518   2HBD  HEC  93          2HBD      HEC  93  11.761   2.209  -1.000
  Start of MODEL    5
    1   1H    VAL  22          1H        VAL  22 -12.998   3.782   1.491
    2   2H    VAL  22          2H        VAL  22 -11.583   4.565   1.914
    3   3H    VAL  22          3H        VAL  22 -13.034   5.413   1.880
    4    HA   VAL  22           HA       VAL  22 -13.290   5.046  -0.386
    5    HB   VAL  22           HB       VAL  22 -10.371   5.771   0.116
    6   1HG1  VAL  22          1HG1      VAL  22 -10.769   5.269  -2.250
    7   2HG1  VAL  22          2HG1      VAL  22 -12.207   6.311  -2.258
    8   3HG1  VAL  22          3HG1      VAL  22 -10.589   7.011  -2.037
    9   1HG2  VAL  22          1HG2      VAL  22 -11.796   7.266   1.412
   10   2HG2  VAL  22          2HG2      VAL  22 -11.246   8.135  -0.025
   11   3HG2  VAL  22          3HG2      VAL  22 -12.897   7.482   0.030
   12    H    ASP  23           H        ASP  23 -13.163   3.591  -1.797
   13    HA   ASP  23           HA       ASP  23 -12.616   1.056  -1.342
   14   1HB   ASP  23          1HB       ASP  23 -12.751   2.325  -4.111
   15   2HB   ASP  23          2HB       ASP  23 -13.087   0.631  -3.726
   16    H    ALA  24           H        ALA  24 -10.676   0.593  -0.604
   17    HA   ALA  24           HA       ALA  24  -8.272   1.630  -1.180
   18   1HB   ALA  24          1HB       ALA  24  -8.578   0.397   0.771
   19   2HB   ALA  24          2HB       ALA  24  -9.029  -1.066  -0.127
   20   3HB   ALA  24          3HB       ALA  24  -7.342  -0.482  -0.164
   21    H    GLU  25           H        GLU  25  -9.541  -1.379  -2.700
   22    HA   GLU  25           HA       GLU  25  -7.136  -1.881  -4.114
   23   1HB   GLU  25          1HB       GLU  25  -8.167  -3.622  -5.019
   24   2HB   GLU  25          2HB       GLU  25  -9.467  -3.274  -3.876
   25   1HG   GLU  25          1HG       GLU  25 -10.631  -1.980  -5.594
   26   2HG   GLU  25          2HG       GLU  25  -9.342  -2.386  -6.783
   27    H    ALA  26           H        ALA  26  -9.935   0.228  -4.895
   28    HA   ALA  26           HA       ALA  26  -9.079   0.861  -7.538
   29   1HB   ALA  26          1HB       ALA  26 -11.382   1.293  -6.357
   30   2HB   ALA  26          2HB       ALA  26 -10.632   2.802  -5.794
   31   3HB   ALA  26          3HB       ALA  26 -10.776   2.478  -7.528
   32    H    VAL  27           H        VAL  27  -8.458   2.384  -4.370
   33    HA   VAL  27           HA       VAL  27  -6.605   4.486  -5.260
   34    HB   VAL  27           HB       VAL  27  -6.453   2.867  -2.679
   35   1HG1  VAL  27          1HG1      VAL  27  -5.532   5.690  -3.331
   36   2HG1  VAL  27          2HG1      VAL  27  -5.311   4.807  -1.807
   37   3HG1  VAL  27          3HG1      VAL  27  -4.466   4.267  -3.252
   38   1HG2  VAL  27          1HG2      VAL  27  -8.073   5.377  -3.278
   39   2HG2  VAL  27          2HG2      VAL  27  -8.712   3.798  -2.781
   40   3HG2  VAL  27          3HG2      VAL  27  -7.741   4.741  -1.653
   41    H    VAL  28           H        VAL  28  -5.759   1.032  -4.164
   42    HA   VAL  28           HA       VAL  28  -3.113   1.791  -4.759
   43    HB   VAL  28           HB       VAL  28  -4.537  -0.811  -4.314
   44   1HG1  VAL  28          1HG1      VAL  28  -1.626  -0.719  -3.660
   45   2HG1  VAL  28          2HG1      VAL  28  -2.602  -2.051  -4.197
   46   3HG1  VAL  28          3HG1      VAL  28  -2.084  -0.881  -5.382
   47   1HG2  VAL  28          1HG2      VAL  28  -2.947  -0.011  -2.040
   48   2HG2  VAL  28          2HG2      VAL  28  -3.712   1.454  -2.617
   49   3HG2  VAL  28          3HG2      VAL  28  -4.707   0.073  -2.212
   50    H    GLN  29           H        GLN  29  -5.469   0.023  -6.612
   51    HA   GLN  29           HA       GLN  29  -4.009  -0.543  -8.973
   52   1HB   GLN  29          1HB       GLN  29  -6.979  -0.131  -8.432
   53   2HB   GLN  29          2HB       GLN  29  -6.382  -0.718  -9.934
   54   1HG   GLN  29          1HG       GLN  29  -6.942  -2.228  -7.558
   55   2HG   GLN  29          2HG       GLN  29  -6.614  -2.772  -9.180
   56   1HE2  GLN  29          1HE2      GLN  29  -4.531  -3.566  -9.711
   57   2HE2  GLN  29          2HE2      GLN  29  -3.294  -3.852  -8.510
   58    H    GLN  30           H        GLN  30  -4.739   2.559  -7.797
   59    HA   GLN  30           HA       GLN  30  -3.796   3.571 -10.411
   60   1HB   GLN  30          1HB       GLN  30  -6.423   4.014  -9.367
   61   2HB   GLN  30          2HB       GLN  30  -5.550   5.517  -9.109
   62   1HG   GLN  30          1HG       GLN  30  -4.821   5.477 -11.522
   63   2HG   GLN  30          2HG       GLN  30  -5.712   3.960 -11.742
   64   1HE2  GLN  30          1HE2      GLN  30  -6.275   7.313 -10.500
   65   2HE2  GLN  30          2HE2      GLN  30  -7.861   7.460 -11.247
   66    H    LYS  31           H        LYS  31  -2.993   3.299  -7.233
   67    HA   LYS  31           HA       LYS  31  -1.459   5.882  -7.229
   68   1HB   LYS  31          1HB       LYS  31  -3.303   4.706  -5.223
   69   2HB   LYS  31          2HB       LYS  31  -1.795   5.022  -4.560
   70   1HG   LYS  31          1HG       LYS  31  -2.923   6.933  -4.149
   71   2HG   LYS  31          2HG       LYS  31  -1.989   7.421  -5.570
   72   1HD   LYS  31          1HD       LYS  31  -3.977   7.127  -7.012
   73   2HD   LYS  31          2HD       LYS  31  -4.820   6.278  -5.718
   74   1HE   LYS  31          1HE       LYS  31  -5.809   8.358  -5.517
   75   2HE   LYS  31          2HE       LYS  31  -4.535   8.426  -4.291
   76   1HZ   LYS  31          1HZ       LYS  31  -3.185   9.653  -5.792
   77   2HZ   LYS  31          2HZ       LYS  31  -4.341   9.590  -6.975
   78   3HZ   LYS  31          3HZ       LYS  31  -4.635  10.395  -5.565
   79    H    CYS  32           H        CYS  32  -1.497   2.494  -5.979
   80    HA   CYS  32           HA       CYS  32   1.336   2.820  -5.224
   81   1HB   CYS  32          1HB       CYS  32  -0.325   0.381  -4.875
   82   2HB   CYS  32          2HB       CYS  32   1.037   0.877  -3.900
   83    H    ILE  33           H        ILE  33  -0.729   0.827  -7.348
   84    HA   ILE  33           HA       ILE  33   1.256  -0.871  -8.351
   85    HB   ILE  33           HB       ILE  33  -0.062  -1.128 -10.321
   86   1HG1  ILE  33          1HG1      ILE  33  -2.061   0.968  -9.468
   87   2HG1  ILE  33          2HG1      ILE  33  -0.738   1.370 -10.548
   88   1HG2  ILE  33          1HG2      ILE  33  -2.134  -1.932  -9.280
   89   2HG2  ILE  33          2HG2      ILE  33  -0.733  -2.289  -8.269
   90   3HG2  ILE  33          3HG2      ILE  33  -1.818  -0.978  -7.833
   91   1HD1  ILE  33          1HD1      ILE  33  -1.383  -0.406 -12.117
   92   2HD1  ILE  33          2HD1      ILE  33  -2.821  -0.749 -11.127
   93   3HD1  ILE  33          3HD1      ILE  33  -2.619   0.837 -11.900
   94    H    SER  34           H        SER  34   0.735   2.510  -8.938
   95    HA   SER  34           HA       SER  34   2.036   3.039 -11.300
   96   1HB   SER  34          1HB       SER  34   0.872   4.681  -9.734
   97   2HB   SER  34          2HB       SER  34   2.363   4.704  -8.774
   98    HG   SER  34           HG       SER  34   3.392   5.231 -10.897
   99    H    CYS  35           H        CYS  35   3.529   1.994  -8.240
  100    HA   CYS  35           HA       CYS  35   6.113   1.848  -9.734
  101   1HB   CYS  35          1HB       CYS  35   6.100   2.229  -6.732
  102   2HB   CYS  35          2HB       CYS  35   7.411   2.376  -7.874
  103    H    HIS  36           H        HIS  36   4.005   0.405  -7.188
  104    HA   HIS  36           HA       HIS  36   5.677  -1.919  -6.922
  105   1HB   HIS  36          1HB       HIS  36   2.845  -1.296  -6.054
  106   2HB   HIS  36          2HB       HIS  36   3.689  -2.803  -5.674
  107    HD1  HIS  36           1HD      HIS  36   5.862  -2.651  -4.042
  108    HD2  HIS  36           2HD      HIS  36   3.603   0.892  -4.580
  109    HE1  HIS  36           1HE      HIS  36   6.539  -1.037  -2.199
  110    H    GLY  37           H        GLY  37   3.391  -1.113  -9.403
  111   1HA   GLY  37          1HA       GLY  37   3.064  -2.306 -11.344
  112   2HA   GLY  37          2HA       GLY  37   3.735  -3.779 -10.626
  113    H    GLY  38           H        GLY  38   1.228  -3.477 -12.111
  114   1HA   GLY  38          1HA       GLY  38  -1.158  -3.087 -10.996
  115   2HA   GLY  38          2HA       GLY  38  -0.851  -4.458 -12.051
  116    H    ASP  39           H        ASP  39   0.263  -6.377 -10.854
  117    HA   ASP  39           HA       ASP  39  -1.582  -7.389  -8.978
  118   1HB   ASP  39          1HB       ASP  39   1.155  -8.397  -9.854
  119   2HB   ASP  39          2HB       ASP  39  -0.100  -9.367  -9.057
  120    H    LEU  40           H        LEU  40   1.127  -5.406  -8.438
  121    HA   LEU  40           HA       LEU  40   2.228  -4.614  -6.679
  122   1HB   LEU  40          1HB       LEU  40   0.310  -6.189  -4.934
  123   2HB   LEU  40          2HB       LEU  40   1.399  -4.918  -4.419
  124    HG   LEU  40           HG       LEU  40  -0.214  -4.074  -6.762
  125   1HD1  LEU  40          1HD1      LEU  40  -2.342  -3.871  -5.673
  126   2HD1  LEU  40          2HD1      LEU  40  -1.886  -5.574  -5.778
  127   3HD1  LEU  40          3HD1      LEU  40  -1.739  -4.715  -4.224
  128   1HD2  LEU  40          1HD2      LEU  40   1.225  -2.718  -5.068
  129   2HD2  LEU  40          2HD2      LEU  40  -0.277  -2.065  -5.713
  130   3HD2  LEU  40          3HD2      LEU  40  -0.258  -2.777  -4.083
  131    H    THR  41           H        THR  41   2.884  -7.110  -8.093
  132    HA   THR  41           HA       THR  41   4.385  -8.824  -6.354
  133    HB   THR  41           HB       THR  41   5.181  -9.535  -8.742
  134    HG1  THR  41           1HG      THR  41   4.691  -7.710  -9.906
  135   1HG2  THR  41          1HG2      THR  41   3.415 -10.758  -7.570
  136   2HG2  THR  41          2HG2      THR  41   2.214  -9.531  -8.011
  137   3HG2  THR  41          3HG2      THR  41   2.955 -10.536  -9.271
  138    H    GLY  42           H        GLY  42   4.992  -5.612  -7.577
  139   1HA   GLY  42          1HA       GLY  42   6.730  -4.423  -6.683
  140   2HA   GLY  42          2HA       GLY  42   7.719  -5.875  -6.474
  141    H    ALA  43           H        ALA  43   6.470  -3.592  -8.883
  142    HA   ALA  43           HA       ALA  43   8.362  -4.498 -10.947
  143   1HB   ALA  43          1HB       ALA  43   6.199  -3.768 -11.662
  144   2HB   ALA  43          2HB       ALA  43   6.378  -2.194 -10.874
  145   3HB   ALA  43          3HB       ALA  43   7.409  -2.615 -12.259
  146    H    SER  44           H        SER  44   7.874  -1.158  -9.783
  147    HA   SER  44           HA       SER  44  10.792  -0.626  -9.970
  148   1HB   SER  44          1HB       SER  44   9.181   0.846 -11.198
  149   2HB   SER  44          2HB       SER  44   8.457   1.291  -9.641
  150    HG   SER  44           HG       SER  44  10.666   1.922  -9.036
  151    H    ALA  45           H        ALA  45   8.870  -1.862  -7.659
  152    HA   ALA  45           HA       ALA  45  10.229  -0.667  -5.348
  153   1HB   ALA  45          1HB       ALA  45   7.202  -0.761  -5.758
  154   2HB   ALA  45          2HB       ALA  45   8.026  -0.271  -4.269
  155   3HB   ALA  45          3HB       ALA  45   8.170   0.713  -5.732
  156    HA   PRO  46           HA       PRO  46  10.030  -4.997  -4.427
  157   1HB   PRO  46          1HB       PRO  46   9.518  -5.210  -1.720
  158   2HB   PRO  46          2HB       PRO  46  11.073  -4.641  -2.394
  159   1HG   PRO  46          1HG       PRO  46   8.730  -2.957  -1.483
  160   2HG   PRO  46          2HG       PRO  46  10.443  -2.797  -0.986
  161   1HD   PRO  46          1HD       PRO  46   9.416  -1.250  -2.945
  162   2HD   PRO  46          2HD       PRO  46  11.041  -1.952  -3.173
  163    H    ALA  47           H        ALA  47   8.627  -6.780  -3.680
  164    HA   ALA  47           HA       ALA  47   5.946  -6.494  -4.616
  165   1HB   ALA  47          1HB       ALA  47   7.153  -8.735  -2.926
  166   2HB   ALA  47          2HB       ALA  47   5.699  -8.823  -3.941
  167   3HB   ALA  47          3HB       ALA  47   7.301  -8.627  -4.685
  168    H    ILE  48           H        ILE  48   4.254  -5.658  -3.515
  169    HA   ILE  48           HA       ILE  48   4.251  -5.956  -0.550
  170    HB   ILE  48           HB       ILE  48   3.234  -3.850  -0.148
  171   1HG1  ILE  48          1HG1      ILE  48   3.429  -2.042  -1.915
  172   2HG1  ILE  48          2HG1      ILE  48   3.434  -3.338  -3.110
  173   1HG2  ILE  48          1HG2      ILE  48   5.687  -4.128  -0.104
  174   2HG2  ILE  48          2HG2      ILE  48   5.762  -3.558  -1.785
  175   3HG2  ILE  48          3HG2      ILE  48   5.189  -2.478  -0.507
  176   1HD1  ILE  48          1HD1      ILE  48   1.143  -3.968  -2.324
  177   2HD1  ILE  48          2HD1      ILE  48   1.300  -2.869  -0.936
  178   3HD1  ILE  48          3HD1      ILE  48   1.205  -2.202  -2.563
  179    H    ASP  49           H        ASP  49   2.838  -7.100  -3.301
  180    HA   ASP  49           HA       ASP  49   0.164  -7.368  -2.598
  181   1HB   ASP  49          1HB       ASP  49   0.117  -9.199  -3.986
  182   2HB   ASP  49          2HB       ASP  49   1.597  -8.466  -4.575
  183    H    LYS  50           H        LYS  50   2.977  -8.931  -1.186
  184    HA   LYS  50           HA       LYS  50   1.385 -10.525   0.731
  185   1HB   LYS  50          1HB       LYS  50   4.325 -10.437  -0.031
  186   2HB   LYS  50          2HB       LYS  50   3.743 -11.413   1.326
  187   1HG   LYS  50          1HG       LYS  50   2.527 -11.659  -1.402
  188   2HG   LYS  50          2HG       LYS  50   3.990 -12.534  -1.021
  189   1HD   LYS  50          1HD       LYS  50   2.913 -13.842   0.648
  190   2HD   LYS  50          2HD       LYS  50   1.497 -12.791   0.741
  191   1HE   LYS  50          1HE       LYS  50   2.251 -14.368  -1.766
  192   2HE   LYS  50          2HE       LYS  50   1.124 -14.939  -0.519
  193   1HZ   LYS  50          1HZ       LYS  50  -0.074 -13.915  -2.286
  194   2HZ   LYS  50          2HZ       LYS  50  -0.252 -13.053  -0.914
  195   3HZ   LYS  50          3HZ       LYS  50   0.719 -12.484  -2.143
  196    H    ALA  51           H        ALA  51   2.237  -7.349   0.725
  197    HA   ALA  51           HA       ALA  51   3.774  -7.043   3.075
  198   1HB   ALA  51          1HB       ALA  51   2.975  -4.753   3.109
  199   2HB   ALA  51          2HB       ALA  51   3.376  -5.284   1.459
  200   3HB   ALA  51          3HB       ALA  51   1.676  -5.149   1.979
  201    H    GLY  52           H        GLY  52   0.186  -7.540   2.675
  202   1HA   GLY  52          1HA       GLY  52  -0.433  -7.138   5.408
  203   2HA   GLY  52          2HA       GLY  52  -1.292  -8.180   4.255
  204    H    ALA  53           H        ALA  53   1.097  -9.938   3.780
  205    HA   ALA  53           HA       ALA  53   0.831 -11.673   6.155
  206   1HB   ALA  53          1HB       ALA  53   2.468 -11.992   3.608
  207   2HB   ALA  53          2HB       ALA  53   2.365 -13.167   4.925
  208   3HB   ALA  53          3HB       ALA  53   0.921 -12.777   3.994
  209    H    ASN  54           H        ASN  54   3.366  -9.740   4.578
  210    HA   ASN  54           HA       ASN  54   5.429 -10.584   6.411
  211   1HB   ASN  54          1HB       ASN  54   5.323  -8.210   4.506
  212   2HB   ASN  54          2HB       ASN  54   6.776  -8.808   5.316
  213   1HD2  ASN  54          1HD2      ASN  54   6.238  -8.598   2.389
  214   2HD2  ASN  54          2HD2      ASN  54   6.436 -10.236   1.793
  215    H    TYR  55           H        TYR  55   3.298  -7.788   6.256
  216    HA   TYR  55           HA       TYR  55   4.319  -6.632   8.817
  217   1HB   TYR  55          1HB       TYR  55   3.416  -5.087   6.369
  218   2HB   TYR  55          2HB       TYR  55   4.057  -4.432   7.875
  219    HD1  TYR  55           1HD      TYR  55   4.967  -4.077   4.857
  220    HD2  TYR  55           2HD      TYR  55   6.475  -6.259   8.263
  221    HE1  TYR  55           1HE      TYR  55   7.248  -4.013   3.907
  222    HE2  TYR  55           2HE      TYR  55   8.730  -6.247   7.268
  223    HH   TYR  55           HH       TYR  55   9.464  -4.632   4.162
  224    H    SER  56           H        SER  56   2.433  -4.801   9.314
  225    HA   SER  56           HA       SER  56  -0.208  -6.155   8.952
  226   1HB   SER  56          1HB       SER  56   0.934  -5.027  11.539
  227   2HB   SER  56          2HB       SER  56  -0.753  -5.506  11.299
  228    HG   SER  56           HG       SER  56   1.136  -7.366  10.487
  229    H    GLU  57           H        GLU  57  -2.004  -4.603   9.586
  230    HA   GLU  57           HA       GLU  57  -2.001  -2.736   7.537
  231   1HB   GLU  57          1HB       GLU  57  -4.210  -2.159   8.265
  232   2HB   GLU  57          2HB       GLU  57  -3.979  -3.872   8.437
  233   1HG   GLU  57          1HG       GLU  57  -4.944  -3.539  10.443
  234   2HG   GLU  57          2HG       GLU  57  -3.334  -3.074  10.996
  235    H    GLU  58           H        GLU  58  -1.443  -2.156  11.042
  236    HA   GLU  58           HA       GLU  58  -1.178   0.582  11.058
  237   1HB   GLU  58          1HB       GLU  58   0.389   0.162  12.986
  238   2HB   GLU  58          2HB       GLU  58  -1.170  -0.656  13.047
  239   1HG   GLU  58          1HG       GLU  58   0.679  -2.507  11.803
  240   2HG   GLU  58          2HG       GLU  58   1.455  -1.826  13.230
  241    H    GLU  59           H        GLU  59   1.509  -1.703  10.399
  242    HA   GLU  59           HA       GLU  59   3.572   0.162   9.976
  243   1HB   GLU  59          1HB       GLU  59   3.065  -2.611   8.803
  244   2HB   GLU  59          2HB       GLU  59   4.627  -1.799   8.743
  245   1HG   GLU  59          1HG       GLU  59   3.211  -2.514  11.360
  246   2HG   GLU  59          2HG       GLU  59   4.442  -3.499  10.563
  247    H    ILE  60           H        ILE  60   1.269  -1.375   7.757
  248    HA   ILE  60           HA       ILE  60   2.395  -0.314   5.327
  249    HB   ILE  60           HB       ILE  60  -0.334  -1.427   6.002
  250   1HG1  ILE  60          1HG1      ILE  60   1.842  -2.714   4.316
  251   2HG1  ILE  60          2HG1      ILE  60   1.825  -2.894   6.071
  252   1HG2  ILE  60          1HG2      ILE  60  -0.681  -0.016   4.090
  253   2HG2  ILE  60          2HG2      ILE  60   0.788  -0.620   3.293
  254   3HG2  ILE  60          3HG2      ILE  60  -0.626  -1.671   3.495
  255   1HD1  ILE  60          1HD1      ILE  60   0.744  -4.801   5.076
  256   2HD1  ILE  60          2HD1      ILE  60  -0.441  -3.864   5.996
  257   3HD1  ILE  60          3HD1      ILE  60  -0.421  -3.777   4.224
  258    H    LEU  61           H        LEU  61  -0.396   0.664   7.356
  259    HA   LEU  61           HA       LEU  61  -1.273   2.898   5.956
  260   1HB   LEU  61          1HB       LEU  61  -2.350   1.918   7.961
  261   2HB   LEU  61          2HB       LEU  61  -1.062   2.484   8.987
  262    HG   LEU  61           HG       LEU  61  -1.620   4.808   8.630
  263   1HD1  LEU  61          1HD1      LEU  61  -2.297   4.919   6.352
  264   2HD1  LEU  61          2HD1      LEU  61  -3.584   3.721   6.609
  265   3HD1  LEU  61          3HD1      LEU  61  -3.730   5.359   7.290
  266   1HD2  LEU  61          1HD2      LEU  61  -3.878   4.832   9.629
  267   2HD2  LEU  61          2HD2      LEU  61  -4.111   3.133   9.167
  268   3HD2  LEU  61          3HD2      LEU  61  -2.868   3.570  10.359
  269    H    ASP  62           H        ASP  62   1.154   2.713   8.608
  270    HA   ASP  62           HA       ASP  62   1.661   5.522   8.527
  271   1HB   ASP  62          1HB       ASP  62   2.232   3.950  10.436
  272   2HB   ASP  62          2HB       ASP  62   3.647   3.442   9.499
  273    H    ILE  63           H        ILE  63   3.144   2.755   6.852
  274    HA   ILE  63           HA       ILE  63   5.277   4.284   5.646
  275    HB   ILE  63           HB       ILE  63   4.036   1.570   5.219
  276   1HG1  ILE  63          1HG1      ILE  63   6.894   2.553   5.668
  277   2HG1  ILE  63          2HG1      ILE  63   5.773   2.056   6.942
  278   1HG2  ILE  63          1HG2      ILE  63   5.890   2.876   3.202
  279   2HG2  ILE  63          2HG2      ILE  63   5.600   1.137   3.353
  280   3HG2  ILE  63          3HG2      ILE  63   4.260   2.186   2.937
  281   1HD1  ILE  63          1HD1      ILE  63   5.651  -0.226   5.831
  282   2HD1  ILE  63          2HD1      ILE  63   7.013   0.293   4.803
  283   3HD1  ILE  63          3HD1      ILE  63   7.211   0.212   6.553
  284    H    ILE  64           H        ILE  64   1.913   3.619   4.551
  285    HA   ILE  64           HA       ILE  64   2.239   4.838   1.972
  286    HB   ILE  64           HB       ILE  64  -0.171   4.606   3.810
  287   1HG1  ILE  64          1HG1      ILE  64   0.520   3.130   1.243
  288   2HG1  ILE  64          2HG1      ILE  64   0.956   2.512   2.832
  289   1HG2  ILE  64          1HG2      ILE  64  -1.517   5.127   1.745
  290   2HG2  ILE  64          2HG2      ILE  64  -0.589   6.494   2.335
  291   3HG2  ILE  64          3HG2      ILE  64  -0.006   5.584   0.930
  292   1HD1  ILE  64          1HD1      ILE  64  -1.510   2.696   3.491
  293   2HD1  ILE  64          2HD1      ILE  64  -1.835   2.960   1.759
  294   3HD1  ILE  64          3HD1      ILE  64  -1.092   1.451   2.311
  295    H    LEU  65           H        LEU  65   1.215   6.174   5.115
  296    HA   LEU  65           HA       LEU  65   0.889   8.851   4.180
  297   1HB   LEU  65          1HB       LEU  65   1.467   7.709   6.924
  298   2HB   LEU  65          2HB       LEU  65   1.006   9.388   6.633
  299    HG   LEU  65           HG       LEU  65  -0.837   7.117   5.686
  300   1HD1  LEU  65          1HD1      LEU  65  -2.008   7.321   7.835
  301   2HD1  LEU  65          2HD1      LEU  65  -0.354   6.736   8.080
  302   3HD1  LEU  65          3HD1      LEU  65  -0.752   8.425   8.442
  303   1HD2  LEU  65          1HD2      LEU  65  -1.309  10.007   6.542
  304   2HD2  LEU  65          2HD2      LEU  65  -1.264   9.412   4.867
  305   3HD2  LEU  65          3HD2      LEU  65  -2.530   8.852   5.979
  306    H    ASN  66           H        ASN  66   3.697   7.159   5.564
  307    HA   ASN  66           HA       ASN  66   5.286   9.629   5.763
  308   1HB   ASN  66          1HB       ASN  66   5.735   6.739   6.606
  309   2HB   ASN  66          2HB       ASN  66   7.008   7.922   6.656
  310   1HD2  ASN  66          1HD2      ASN  66   3.767   7.243   7.870
  311   2HD2  ASN  66          2HD2      ASN  66   3.981   7.925   9.435
  312    H    GLY  67           H        GLY  67   5.583   6.471   4.081
  313   1HA   GLY  67          1HA       GLY  67   6.597   6.472   1.813
  314   2HA   GLY  67          2HA       GLY  67   7.882   7.496   2.475
  315    H    GLN  68           H        GLN  68   9.201   5.691   1.712
  316    HA   GLN  68           HA       GLN  68  10.214   4.076   3.792
  317   1HB   GLN  68          1HB       GLN  68   8.465   2.267   3.116
  318   2HB   GLN  68          2HB       GLN  68   8.822   2.667   1.454
  319   1HG   GLN  68          1HG       GLN  68   9.801   0.603   2.125
  320   2HG   GLN  68          2HG       GLN  68  11.092   1.716   1.693
  321   1HE2  GLN  68          1HE2      GLN  68  10.851  -0.808   3.372
  322   2HE2  GLN  68          2HE2      GLN  68  11.719  -0.346   4.838
  323    H    GLY  69           H        GLY  69  12.467   4.037   3.161
  324   1HA   GLY  69          1HA       GLY  69  14.295   4.604   1.836
  325   2HA   GLY  69          2HA       GLY  69  13.588   3.379   0.781
  326    H    GLY  70           H        GLY  70  13.128   4.056  -1.340
  327   1HA   GLY  70          1HA       GLY  70  13.426   6.879  -2.040
  328   2HA   GLY  70          2HA       GLY  70  13.204   5.489  -3.103
  329    H    MET  71           H        MET  71  10.718   4.999  -1.088
  330    HA   MET  71           HA       MET  71   8.723   5.872  -2.922
  331   1HB   MET  71          1HB       MET  71   8.605   3.930  -1.351
  332   2HB   MET  71          2HB       MET  71   8.494   5.034  -0.018
  333   1HG   MET  71          1HG       MET  71   6.417   5.863  -0.582
  334   2HG   MET  71          2HG       MET  71   6.366   5.057  -2.141
  335   1HE   MET  71          1HE       MET  71   3.846   3.505   0.791
  336   2HE   MET  71          2HE       MET  71   4.633   5.091   0.959
  337   3HE   MET  71          3HE       MET  71   3.861   4.637  -0.577
  338    HA   PRO  72           HA       PRO  72   8.836  10.083  -1.436
  339   1HB   PRO  72          1HB       PRO  72   6.568  11.141  -2.618
  340   2HB   PRO  72          2HB       PRO  72   8.086  10.776  -3.486
  341   1HG   PRO  72          1HG       PRO  72   5.612   9.056  -3.282
  342   2HG   PRO  72          2HG       PRO  72   6.550   9.454  -4.749
  343   1HD   PRO  72          1HD       PRO  72   6.939   7.110  -3.468
  344   2HD   PRO  72          2HD       PRO  72   8.350   8.029  -4.092
  345    H    GLY  73           H        GLY  73   5.835   8.247  -1.005
  346   1HA   GLY  73          1HA       GLY  73   4.639   7.976   0.984
  347   2HA   GLY  73          2HA       GLY  73   5.578   9.269   1.741
  348    H    GLY  74           H        GLY  74   2.848   9.099   2.036
  349   1HA   GLY  74          1HA       GLY  74   1.042  10.517   2.116
  350   2HA   GLY  74          2HA       GLY  74   2.044  11.783   1.386
  351    H    ILE  75           H        ILE  75   1.796   8.785  -0.319
  352    HA   ILE  75           HA       ILE  75   0.666   9.916  -2.687
  353    HB   ILE  75           HB       ILE  75   1.080   7.077  -1.690
  354   1HG1  ILE  75          1HG1      ILE  75   2.694   7.930  -3.964
  355   2HG1  ILE  75          2HG1      ILE  75   2.887   9.082  -2.648
  356   1HG2  ILE  75          1HG2      ILE  75   0.893   6.361  -4.078
  357   2HG2  ILE  75          2HG2      ILE  75  -0.629   6.901  -3.378
  358   3HG2  ILE  75          3HG2      ILE  75   0.270   7.975  -4.478
  359   1HD1  ILE  75          1HD1      ILE  75   4.525   7.173  -2.523
  360   2HD1  ILE  75          2HD1      ILE  75   3.492   7.306  -1.080
  361   3HD1  ILE  75          3HD1      ILE  75   3.156   6.076  -2.306
  362    H    ALA  76           H        ALA  76  -0.738   8.440   0.188
  363    HA   ALA  76           HA       ALA  76  -3.375   9.195  -0.721
  364   1HB   ALA  76          1HB       ALA  76  -2.583   6.342   0.046
  365   2HB   ALA  76          2HB       ALA  76  -4.244   6.919   0.174
  366   3HB   ALA  76          3HB       ALA  76  -3.445   6.872  -1.414
  367    H    LYS  77           H        LYS  77  -4.738   9.592   1.215
  368    HA   LYS  77           HA       LYS  77  -3.450   9.083   3.823
  369   1HB   LYS  77          1HB       LYS  77  -4.042  11.599   4.339
  370   2HB   LYS  77          2HB       LYS  77  -2.459  11.127   3.707
  371   1HG   LYS  77          1HG       LYS  77  -2.968  11.874   1.516
  372   2HG   LYS  77          2HG       LYS  77  -4.706  12.020   1.877
  373   1HD   LYS  77          1HD       LYS  77  -4.296  13.826   3.442
  374   2HD   LYS  77          2HD       LYS  77  -2.535  13.649   3.287
  375   1HE   LYS  77          1HE       LYS  77  -2.492  14.493   1.079
  376   2HE   LYS  77          2HE       LYS  77  -4.218  14.197   0.817
  377   1HZ   LYS  77          1HZ       LYS  77  -3.742  16.519   1.130
  378   2HZ   LYS  77          2HZ       LYS  77  -4.733  15.960   2.314
  379   3HZ   LYS  77          3HZ       LYS  77  -3.143  16.246   2.637
  380    H    GLY  78           H        GLY  78  -4.763   9.573   5.700
  381   1HA   GLY  78          1HA       GLY  78  -6.676   9.320   6.888
  382   2HA   GLY  78          2HA       GLY  78  -7.484  10.261   5.626
  383    H    ALA  79           H        ALA  79  -9.365   9.070   5.422
  384    HA   ALA  79           HA       ALA  79  -9.814   6.351   5.428
  385   1HB   ALA  79          1HB       ALA  79 -11.259   8.459   3.788
  386   2HB   ALA  79          2HB       ALA  79 -11.904   6.874   4.266
  387   3HB   ALA  79          3HB       ALA  79 -11.546   8.089   5.506
  388    H    GLU  80           H        GLU  80  -7.933   7.889   3.080
  389    HA   GLU  80           HA       GLU  80  -8.337   5.987   0.897
  390   1HB   GLU  80          1HB       GLU  80  -7.643   8.573   0.960
  391   2HB   GLU  80          2HB       GLU  80  -6.048   7.901   1.271
  392   1HG   GLU  80          1HG       GLU  80  -6.213   6.721  -0.937
  393   2HG   GLU  80          2HG       GLU  80  -7.778   7.511  -1.189
  394    H    ALA  81           H        ALA  81  -5.588   6.903   3.129
  395    HA   ALA  81           HA       ALA  81  -4.089   4.562   2.433
  396   1HB   ALA  81          1HB       ALA  81  -3.777   6.510   4.756
  397   2HB   ALA  81          2HB       ALA  81  -2.559   5.360   4.149
  398   3HB   ALA  81          3HB       ALA  81  -3.083   6.705   3.132
  399    H    GLU  82           H        GLU  82  -6.251   5.460   5.120
  400    HA   GLU  82           HA       GLU  82  -5.799   3.274   6.892
  401   1HB   GLU  82          1HB       GLU  82  -8.278   4.906   6.234
  402   2HB   GLU  82          2HB       GLU  82  -8.178   3.782   7.585
  403   1HG   GLU  82          1HG       GLU  82  -6.554   5.095   8.723
  404   2HG   GLU  82          2HG       GLU  82  -6.213   6.088   7.302
  405    H    ALA  83           H        ALA  83  -8.074   3.689   4.152
  406    HA   ALA  83           HA       ALA  83  -9.228   1.083   4.371
  407   1HB   ALA  83          1HB       ALA  83 -10.061   1.449   2.138
  408   2HB   ALA  83          2HB       ALA  83 -10.273   2.914   3.106
  409   3HB   ALA  83          3HB       ALA  83  -8.964   2.833   1.898
  410    H    VAL  84           H        VAL  84  -6.422   2.356   2.430
  411    HA   VAL  84           HA       VAL  84  -5.769  -0.137   1.252
  412    HB   VAL  84           HB       VAL  84  -3.729   1.882   2.208
  413   1HG1  VAL  84          1HG1      VAL  84  -3.669  -0.522   0.331
  414   2HG1  VAL  84          2HG1      VAL  84  -2.425   0.698   0.339
  415   3HG1  VAL  84          3HG1      VAL  84  -2.673  -0.266   1.783
  416   1HG2  VAL  84          1HG2      VAL  84  -3.596   2.532  -0.193
  417   2HG2  VAL  84          2HG2      VAL  84  -5.078   1.591  -0.502
  418   3HG2  VAL  84          3HG2      VAL  84  -5.126   3.010   0.561
  419    H    ALA  85           H        ALA  85  -4.755   1.139   4.471
  420    HA   ALA  85           HA       ALA  85  -3.051  -0.915   5.200
  421   1HB   ALA  85          1HB       ALA  85  -3.475  -0.203   7.467
  422   2HB   ALA  85          2HB       ALA  85  -3.759   1.224   6.458
  423   3HB   ALA  85          3HB       ALA  85  -5.119   0.301   7.115
  424    H    ALA  86           H        ALA  86  -6.584  -0.840   5.831
  425    HA   ALA  86           HA       ALA  86  -6.776  -3.500   6.818
  426   1HB   ALA  86          1HB       ALA  86  -8.506  -1.811   7.180
  427   2HB   ALA  86          2HB       ALA  86  -8.881  -1.776   5.442
  428   3HB   ALA  86          3HB       ALA  86  -9.197  -3.246   6.392
  429    H    TRP  87           H        TRP  87  -7.511  -2.251   3.521
  430    HA   TRP  87           HA       TRP  87  -8.338  -4.709   2.383
  431   1HB   TRP  87          1HB       TRP  87  -8.832  -2.605   1.388
  432   2HB   TRP  87          2HB       TRP  87  -7.099  -2.196   1.285
  433    HD1  TRP  87           HD       TRP  87  -9.719  -4.253  -0.639
  434    HE1  TRP  87           1HE      TRP  87  -8.642  -5.182  -2.764
  435    HE3  TRP  87           3HE      TRP  87  -5.083  -2.155  -0.182
  436    HZ2  TRP  87           2HZ      TRP  87  -5.138  -5.027  -2.966
  437    HZ3  TRP  87           3HZ      TRP  87  -3.720  -2.000  -2.257
  438    HH2  TRP  87           HH       TRP  87  -4.391  -3.215  -4.303
  439    H    LEU  88           H        LEU  88  -5.152  -3.138   2.320
  440    HA   LEU  88           HA       LEU  88  -3.862  -5.106   0.767
  441   1HB   LEU  88          1HB       LEU  88  -3.209  -2.624   1.376
  442   2HB   LEU  88          2HB       LEU  88  -2.325  -3.384   2.689
  443    HG   LEU  88           HG       LEU  88  -1.114  -2.835   0.678
  444   1HD1  LEU  88          1HD1      LEU  88  -1.160  -5.866   0.784
  445   2HD1  LEU  88          2HD1      LEU  88   0.184  -4.725   0.537
  446   3HD1  LEU  88          3HD1      LEU  88  -0.559  -4.880   2.150
  447   1HD2  LEU  88          1HD2      LEU  88  -2.364  -2.826  -1.018
  448   2HD2  LEU  88          2HD2      LEU  88  -1.160  -4.038  -1.401
  449   3HD2  LEU  88          3HD2      LEU  88  -2.813  -4.560  -1.007
  450    H    ALA  89           H        ALA  89  -4.123  -4.570   4.300
  451    HA   ALA  89           HA       ALA  89  -2.642  -6.815   5.186
  452   1HB   ALA  89          1HB       ALA  89  -3.986  -6.728   7.214
  453   2HB   ALA  89          2HB       ALA  89  -3.339  -5.155   6.720
  454   3HB   ALA  89          3HB       ALA  89  -5.060  -5.534   6.462
  455    H    GLU  90           H        GLU  90  -6.027  -6.524   4.097
  456    HA   GLU  90           HA       GLU  90  -6.660  -9.295   4.524
  457   1HB   GLU  90          1HB       GLU  90  -8.209  -7.490   4.713
  458   2HB   GLU  90          2HB       GLU  90  -8.025  -7.022   3.038
  459   1HG   GLU  90          1HG       GLU  90  -8.986  -9.825   3.698
  460   2HG   GLU  90          2HG       GLU  90 -10.089  -8.449   3.822
  461    H    LYS  91           H        LYS  91  -4.747  -7.828   2.047
  462    HA   LYS  91           HA       LYS  91  -5.764  -9.339  -0.188
  463   1HB   LYS  91          1HB       LYS  91  -4.364  -7.047   0.209
  464   2HB   LYS  91          2HB       LYS  91  -3.028  -8.073  -0.274
  465   1HG   LYS  91          1HG       LYS  91  -5.650  -7.626  -1.788
  466   2HG   LYS  91          2HG       LYS  91  -4.185  -6.676  -2.013
  467   1HD   LYS  91          1HD       LYS  91  -4.278  -9.667  -2.595
  468   2HD   LYS  91          2HD       LYS  91  -4.664  -8.406  -3.757
  469   1HE   LYS  91          1HE       LYS  91  -2.369  -7.365  -3.166
  470   2HE   LYS  91          2HE       LYS  91  -1.988  -8.912  -2.383
  471   1HZ   LYS  91          1HZ       LYS  91  -1.395  -8.501  -4.897
  472   2HZ   LYS  91          2HZ       LYS  91  -2.082  -9.941  -4.498
  473   3HZ   LYS  91          3HZ       LYS  91  -2.973  -8.742  -5.193
  474    H    LYS  92           H        LYS  92  -3.642 -10.110   2.293
  475    HA   LYS  92           HA       LYS  92  -1.296 -10.775   1.031
  476   1HB   LYS  92          1HB       LYS  92  -0.607 -11.482   3.132
  477   2HB   LYS  92          2HB       LYS  92  -1.586 -10.008   3.139
  478   1HG   LYS  92          1HG       LYS  92  -3.597 -11.525   3.805
  479   2HG   LYS  92          2HG       LYS  92  -2.421 -12.813   4.068
  480   1HD   LYS  92          1HD       LYS  92  -1.416 -11.609   5.919
  481   2HD   LYS  92          2HD       LYS  92  -2.207 -10.117   5.429
  482   1HE   LYS  92          1HE       LYS  92  -3.356 -10.843   7.349
  483   2HE   LYS  92          2HE       LYS  92  -4.435 -11.044   5.967
  484   1HZ   LYS  92          1HZ       LYS  92  -4.514 -12.945   7.359
  485   2HZ   LYS  92          2HZ       LYS  92  -3.831 -13.371   5.920
  486   3HZ   LYS  92          3HZ       LYS  92  -2.885 -13.177   7.261
  487    HHA  HEC  93           HHA      HEC  93   8.618  -0.105   0.458
  488    HHB  HEC  93           HHB      HEC  93   2.217  -0.020   0.822
  489    HHC  HEC  93           HHC      HEC  93   2.225   4.365  -3.903
  490    HHD  HEC  93           HHD      HEC  93   8.463   3.352  -4.867
  491   1HMA  HEC  93          1HMA      HEC  93   4.619  -1.544   3.495
  492   2HMA  HEC  93          2HMA      HEC  93   3.149  -0.822   2.851
  493   3HMA  HEC  93          3HMA      HEC  93   3.742  -2.365   2.187
  494   1HAA  HEC  93          1HAA      HEC  93   6.860  -1.745   3.202
  495   2HAA  HEC  93          2HAA      HEC  93   7.976  -0.566   2.636
  496   1HBA  HEC  93          1HBA      HEC  93   8.093  -2.112   0.536
  497   2HBA  HEC  93          2HBA      HEC  93   7.364  -3.335   1.569
  498   1HMB  HEC  93          1HMB      HEC  93  -0.228   0.131  -1.006
  499   2HMB  HEC  93          2HMB      HEC  93   0.201   0.718   0.613
  500   3HMB  HEC  93          3HMB      HEC  93  -0.808   1.706  -0.435
  501    HAB  HEC  93           HAB      HEC  93   0.245   3.976  -3.416
  502   1HBB  HEC  93          1HBB      HEC  93  -1.133   3.756  -0.719
  503   2HBB  HEC  93          2HBB      HEC  93  -0.221   5.119  -1.361
  504   3HBB  HEC  93          3HBB      HEC  93  -1.724   4.607  -2.145
  505   1HMC  HEC  93          1HMC      HEC  93   4.187   6.088  -6.605
  506   2HMC  HEC  93          2HMC      HEC  93   3.124   4.682  -6.533
  507   3HMC  HEC  93          3HMC      HEC  93   2.974   5.981  -5.333
  508    HAC  HEC  93           HAC      HEC  93   7.782   4.501  -6.475
  509   1HBC  HEC  93          1HBC      HEC  93   7.298   6.757  -7.505
  510   2HBC  HEC  93          2HBC      HEC  93   6.111   7.003  -6.205
  511   3HBC  HEC  93          3HBC      HEC  93   7.812   6.700  -5.819
  512   1HMD  HEC  93          1HMD      HEC  93  10.104   1.919  -4.996
  513   2HMD  HEC  93          2HMD      HEC  93  11.163   2.780  -3.848
  514   3HMD  HEC  93          3HMD      HEC  93  11.211   1.003  -3.986
  515   1HAD  HEC  93          1HAD      HEC  93  10.917  -0.498  -1.201
  516   2HAD  HEC  93          2HAD      HEC  93  10.494   0.497   0.057
  517   1HBD  HEC  93          1HBD      HEC  93  12.658   0.956  -0.042
  518   2HBD  HEC  93          2HBD      HEC  93  11.756   2.394  -0.518
  Start of MODEL    6
    1   1H    VAL  22          1H        VAL  22 -13.921   3.989   0.987
    2   2H    VAL  22          2H        VAL  22 -12.524   4.137   1.848
    3   3H    VAL  22          3H        VAL  22 -13.601   5.434   1.777
    4    HA   VAL  22           HA       VAL  22 -13.329   5.377  -0.617
    5    HB   VAL  22           HB       VAL  22 -10.618   5.664   0.749
    6   1HG1  VAL  22          1HG1      VAL  22 -10.545   5.676  -1.730
    7   2HG1  VAL  22          2HG1      VAL  22 -11.848   6.878  -1.778
    8   3HG1  VAL  22          3HG1      VAL  22 -10.261   7.309  -1.117
    9   1HG2  VAL  22          1HG2      VAL  22 -12.213   7.058   1.983
   10   2HG2  VAL  22          2HG2      VAL  22 -11.214   8.085   0.950
   11   3HG2  VAL  22          3HG2      VAL  22 -12.877   7.699   0.462
   12    H    ASP  23           H        ASP  23 -12.967   4.036  -2.088
   13    HA   ASP  23           HA       ASP  23 -12.762   1.431  -1.775
   14   1HB   ASP  23          1HB       ASP  23 -12.239   3.028  -4.310
   15   2HB   ASP  23          2HB       ASP  23 -12.757   1.334  -4.264
   16    H    ALA  24           H        ALA  24 -11.017   0.692  -0.717
   17    HA   ALA  24           HA       ALA  24  -8.470   1.491  -0.750
   18   1HB   ALA  24          1HB       ALA  24  -7.874  -0.604   0.241
   19   2HB   ALA  24          2HB       ALA  24  -9.465  -0.125   0.857
   20   3HB   ALA  24          3HB       ALA  24  -9.354  -1.385  -0.379
   21    H    GLU  25           H        GLU  25  -9.673  -1.294  -2.692
   22    HA   GLU  25           HA       GLU  25  -7.138  -1.729  -3.890
   23   1HB   GLU  25          1HB       GLU  25  -8.070  -3.396  -5.121
   24   2HB   GLU  25          2HB       GLU  25  -9.233  -3.299  -3.793
   25   1HG   GLU  25          1HG       GLU  25 -10.671  -1.876  -5.203
   26   2HG   GLU  25          2HG       GLU  25  -9.521  -2.112  -6.578
   27    H    ALA  26           H        ALA  26  -9.918   0.331  -4.858
   28    HA   ALA  26           HA       ALA  26  -8.989   0.975  -7.446
   29   1HB   ALA  26          1HB       ALA  26 -10.531   2.860  -5.655
   30   2HB   ALA  26          2HB       ALA  26 -10.498   2.809  -7.418
   31   3HB   ALA  26          3HB       ALA  26 -11.280   1.491  -6.520
   32    H    VAL  27           H        VAL  27  -8.422   2.579  -4.305
   33    HA   VAL  27           HA       VAL  27  -6.502   4.624  -5.109
   34    HB   VAL  27           HB       VAL  27  -6.610   2.896  -2.588
   35   1HG1  VAL  27          1HG1      VAL  27  -4.402   4.067  -2.937
   36   2HG1  VAL  27          2HG1      VAL  27  -5.302   5.607  -2.913
   37   3HG1  VAL  27          3HG1      VAL  27  -5.292   4.570  -1.496
   38   1HG2  VAL  27          1HG2      VAL  27  -8.703   4.282  -2.977
   39   2HG2  VAL  27          2HG2      VAL  27  -7.797   4.697  -1.519
   40   3HG2  VAL  27          3HG2      VAL  27  -7.676   5.720  -2.965
   41    H    VAL  28           H        VAL  28  -5.738   1.097  -4.090
   42    HA   VAL  28           HA       VAL  28  -3.096   1.841  -4.746
   43    HB   VAL  28           HB       VAL  28  -4.509  -0.764  -4.356
   44   1HG1  VAL  28          1HG1      VAL  28  -1.988  -0.683  -5.430
   45   2HG1  VAL  28          2HG1      VAL  28  -1.625  -0.828  -3.695
   46   3HG1  VAL  28          3HG1      VAL  28  -2.628  -2.011  -4.503
   47   1HG2  VAL  28          1HG2      VAL  28  -2.910  -0.121  -2.067
   48   2HG2  VAL  28          2HG2      VAL  28  -3.589   1.411  -2.579
   49   3HG2  VAL  28          3HG2      VAL  28  -4.662   0.065  -2.241
   50    H    GLN  29           H        GLN  29  -5.487   0.153  -6.557
   51    HA   GLN  29           HA       GLN  29  -4.147  -0.510  -8.952
   52   1HB   GLN  29          1HB       GLN  29  -7.050   0.035  -8.225
   53   2HB   GLN  29          2HB       GLN  29  -6.603  -0.520  -9.807
   54   1HG   GLN  29          1HG       GLN  29  -5.894  -2.056  -7.281
   55   2HG   GLN  29          2HG       GLN  29  -7.347  -2.312  -8.247
   56   1HE2  GLN  29          1HE2      GLN  29  -4.223  -3.450  -7.794
   57   2HE2  GLN  29          2HE2      GLN  29  -3.932  -4.151  -9.363
   58    H    GLN  30           H        GLN  30  -4.693   2.650  -7.722
   59    HA   GLN  30           HA       GLN  30  -3.799   3.640 -10.359
   60   1HB   GLN  30          1HB       GLN  30  -6.378   4.123  -9.219
   61   2HB   GLN  30          2HB       GLN  30  -5.476   5.612  -8.982
   62   1HG   GLN  30          1HG       GLN  30  -4.974   5.756 -11.375
   63   2HG   GLN  30          2HG       GLN  30  -5.547   4.102 -11.648
   64   1HE2  GLN  30          1HE2      GLN  30  -7.150   6.756  -9.794
   65   2HE2  GLN  30          2HE2      GLN  30  -8.582   6.740 -10.813
   66    H    LYS  31           H        LYS  31  -2.827   3.206  -7.312
   67    HA   LYS  31           HA       LYS  31  -1.366   5.825  -7.136
   68   1HB   LYS  31          1HB       LYS  31  -2.782   4.204  -4.978
   69   2HB   LYS  31          2HB       LYS  31  -1.737   5.500  -4.599
   70   1HG   LYS  31          1HG       LYS  31  -4.090   6.000  -6.417
   71   2HG   LYS  31          2HG       LYS  31  -4.170   6.097  -4.661
   72   1HD   LYS  31          1HD       LYS  31  -2.318   7.733  -4.618
   73   2HD   LYS  31          2HD       LYS  31  -2.285   7.725  -6.399
   74   1HE   LYS  31          1HE       LYS  31  -4.837   8.351  -6.136
   75   2HE   LYS  31          2HE       LYS  31  -4.389   8.721  -4.450
   76   1HZ   LYS  31          1HZ       LYS  31  -2.806  10.287  -5.259
   77   2HZ   LYS  31          2HZ       LYS  31  -3.163   9.930  -6.836
   78   3HZ   LYS  31          3HZ       LYS  31  -4.292  10.642  -5.870
   79    H    CYS  32           H        CYS  32  -1.386   2.396  -6.048
   80    HA   CYS  32           HA       CYS  32   1.479   2.691  -5.324
   81   1HB   CYS  32          1HB       CYS  32  -0.100   0.219  -4.876
   82   2HB   CYS  32          2HB       CYS  32   1.188   0.860  -3.907
   83    H    ILE  33           H        ILE  33  -0.734   0.777  -7.385
   84    HA   ILE  33           HA       ILE  33   1.152  -1.005  -8.425
   85    HB   ILE  33           HB       ILE  33  -0.217  -1.199 -10.371
   86   1HG1  ILE  33          1HG1      ILE  33  -2.111   0.970  -9.464
   87   2HG1  ILE  33          2HG1      ILE  33  -0.806   1.302 -10.592
   88   1HG2  ILE  33          1HG2      ILE  33  -2.294  -1.965  -9.296
   89   2HG2  ILE  33          2HG2      ILE  33  -0.895  -2.348  -8.299
   90   3HG2  ILE  33          3HG2      ILE  33  -1.935  -0.998  -7.861
   91   1HD1  ILE  33          1HD1      ILE  33  -1.590  -0.462 -12.117
   92   2HD1  ILE  33          2HD1      ILE  33  -3.009  -0.718 -11.078
   93   3HD1  ILE  33          3HD1      ILE  33  -2.753   0.845 -11.879
   94    H    SER  34           H        SER  34   0.747   2.383  -9.038
   95    HA   SER  34           HA       SER  34   2.065   2.862 -11.401
   96   1HB   SER  34          1HB       SER  34   0.968   4.540  -9.841
   97   2HB   SER  34          2HB       SER  34   2.440   4.488  -8.854
   98    HG   SER  34           HG       SER  34   3.523   4.997 -10.965
   99    H    CYS  35           H        CYS  35   3.534   1.774  -8.344
  100    HA   CYS  35           HA       CYS  35   6.179   1.667  -9.745
  101   1HB   CYS  35          1HB       CYS  35   6.020   2.105  -6.755
  102   2HB   CYS  35          2HB       CYS  35   7.349   2.336  -7.862
  103    H    HIS  36           H        HIS  36   3.983   0.213  -7.319
  104    HA   HIS  36           HA       HIS  36   5.668  -2.128  -6.984
  105   1HB   HIS  36          1HB       HIS  36   2.862  -1.429  -6.089
  106   2HB   HIS  36          2HB       HIS  36   3.708  -2.922  -5.665
  107    HD1  HIS  36           1HD      HIS  36   5.943  -2.685  -4.095
  108    HD2  HIS  36           2HD      HIS  36   3.540   0.767  -4.629
  109    HE1  HIS  36           1HE      HIS  36   6.562  -1.038  -2.263
  110    H    GLY  37           H        GLY  37   3.479  -1.212  -9.490
  111   1HA   GLY  37          1HA       GLY  37   3.124  -2.390 -11.429
  112   2HA   GLY  37          2HA       GLY  37   3.660  -3.902 -10.682
  113    H    GLY  38           H        GLY  38   1.253  -3.496 -12.263
  114   1HA   GLY  38          1HA       GLY  38  -1.185  -3.036 -11.169
  115   2HA   GLY  38          2HA       GLY  38  -0.868  -4.354 -12.287
  116    H    ASP  39           H        ASP  39   0.545  -6.141 -10.889
  117    HA   ASP  39           HA       ASP  39  -1.465  -7.351  -9.185
  118   1HB   ASP  39          1HB       ASP  39   1.284  -8.302 -10.082
  119   2HB   ASP  39          2HB       ASP  39   0.018  -9.303  -9.348
  120    H    LEU  40           H        LEU  40   1.109  -5.256  -8.534
  121    HA   LEU  40           HA       LEU  40   2.233  -4.567  -6.744
  122   1HB   LEU  40          1HB       LEU  40   0.289  -6.193  -5.087
  123   2HB   LEU  40          2HB       LEU  40   1.364  -4.939  -4.514
  124    HG   LEU  40           HG       LEU  40  -0.214  -4.032  -6.857
  125   1HD1  LEU  40          1HD1      LEU  40  -1.764  -4.708  -4.345
  126   2HD1  LEU  40          2HD1      LEU  40  -2.357  -3.875  -5.808
  127   3HD1  LEU  40          3HD1      LEU  40  -1.879  -5.574  -5.899
  128   1HD2  LEU  40          1HD2      LEU  40  -0.267  -2.816  -4.131
  129   2HD2  LEU  40          2HD2      LEU  40   1.211  -2.723  -5.116
  130   3HD2  LEU  40          3HD2      LEU  40  -0.292  -2.054  -5.741
  131    H    THR  41           H        THR  41   2.918  -7.053  -8.190
  132    HA   THR  41           HA       THR  41   4.385  -8.804  -6.452
  133    HB   THR  41           HB       THR  41   5.208  -9.477  -8.842
  134    HG1  THR  41           1HG      THR  41   4.758  -7.607  -9.957
  135   1HG2  THR  41          1HG2      THR  41   2.981 -10.444  -9.435
  136   2HG2  THR  41          2HG2      THR  41   3.411 -10.714  -7.734
  137   3HG2  THR  41          3HG2      THR  41   2.227  -9.465  -8.162
  138    H    GLY  42           H        GLY  42   4.974  -5.584  -7.570
  139   1HA   GLY  42          1HA       GLY  42   6.786  -4.365  -6.824
  140   2HA   GLY  42          2HA       GLY  42   7.785  -5.818  -6.681
  141    H    ALA  43           H        ALA  43   7.222  -3.099  -8.593
  142    HA   ALA  43           HA       ALA  43   8.653  -4.316 -10.940
  143   1HB   ALA  43          1HB       ALA  43   6.600  -2.081 -10.836
  144   2HB   ALA  43          2HB       ALA  43   7.693  -2.354 -12.206
  145   3HB   ALA  43          3HB       ALA  43   6.538  -3.609 -11.719
  146    H    SER  44           H        SER  44   8.171  -1.023  -9.630
  147    HA   SER  44           HA       SER  44  11.098  -0.507  -9.827
  148   1HB   SER  44          1HB       SER  44   9.142   1.017 -10.777
  149   2HB   SER  44          2HB       SER  44   9.040   1.561  -9.092
  150    HG   SER  44           HG       SER  44  10.503   2.850 -10.211
  151    H    ALA  45           H        ALA  45   9.162  -1.926  -7.633
  152    HA   ALA  45           HA       ALA  45  10.428  -0.865  -5.205
  153   1HB   ALA  45          1HB       ALA  45   8.329   0.485  -5.629
  154   2HB   ALA  45          2HB       ALA  45   7.418  -1.023  -5.730
  155   3HB   ALA  45          3HB       ALA  45   8.179  -0.547  -4.199
  156    HA   PRO  46           HA       PRO  46  10.108  -5.259  -4.428
  157   1HB   PRO  46          1HB       PRO  46   9.498  -5.474  -1.741
  158   2HB   PRO  46          2HB       PRO  46  11.105  -4.998  -2.358
  159   1HG   PRO  46          1HG       PRO  46   8.861  -3.187  -1.452
  160   2HG   PRO  46          2HG       PRO  46  10.580  -3.124  -0.958
  161   1HD   PRO  46          1HD       PRO  46   9.615  -1.510  -2.906
  162   2HD   PRO  46          2HD       PRO  46  11.227  -2.250  -3.097
  163    H    ALA  47           H        ALA  47   8.584  -6.954  -3.812
  164    HA   ALA  47           HA       ALA  47   5.917  -6.484  -4.722
  165   1HB   ALA  47          1HB       ALA  47   7.213  -8.695  -4.820
  166   2HB   ALA  47          2HB       ALA  47   6.964  -8.841  -3.077
  167   3HB   ALA  47          3HB       ALA  47   5.568  -8.819  -4.171
  168    H    ILE  48           H        ILE  48   4.249  -5.652  -3.559
  169    HA   ILE  48           HA       ILE  48   4.368  -5.948  -0.592
  170    HB   ILE  48           HB       ILE  48   3.360  -3.837  -0.164
  171   1HG1  ILE  48          1HG1      ILE  48   3.395  -2.059  -1.968
  172   2HG1  ILE  48          2HG1      ILE  48   3.449  -3.360  -3.145
  173   1HG2  ILE  48          1HG2      ILE  48   5.280  -2.441  -0.638
  174   2HG2  ILE  48          2HG2      ILE  48   5.803  -4.075  -0.202
  175   3HG2  ILE  48          3HG2      ILE  48   5.825  -3.557  -1.898
  176   1HD1  ILE  48          1HD1      ILE  48   1.184  -4.057  -2.381
  177   2HD1  ILE  48          2HD1      ILE  48   1.325  -3.019  -0.945
  178   3HD1  ILE  48          3HD1      ILE  48   1.185  -2.288  -2.542
  179    H    ASP  49           H        ASP  49   2.809  -7.006  -3.291
  180    HA   ASP  49           HA       ASP  49   0.140  -7.281  -2.659
  181   1HB   ASP  49          1HB       ASP  49   0.324  -9.482  -3.686
  182   2HB   ASP  49          2HB       ASP  49   1.345  -8.359  -4.597
  183    H    LYS  50           H        LYS  50   2.881  -8.969  -1.248
  184    HA   LYS  50           HA       LYS  50   1.223 -10.348   0.786
  185   1HB   LYS  50          1HB       LYS  50   3.994 -10.718  -0.368
  186   2HB   LYS  50          2HB       LYS  50   3.559 -11.517   1.146
  187   1HG   LYS  50          1HG       LYS  50   1.734 -11.740  -1.266
  188   2HG   LYS  50          2HG       LYS  50   3.166 -12.759  -1.139
  189   1HD   LYS  50          1HD       LYS  50   2.438 -13.708   0.963
  190   2HD   LYS  50          2HD       LYS  50   1.082 -12.576   1.097
  191   1HE   LYS  50          1HE       LYS  50  -0.016 -13.517  -0.851
  192   2HE   LYS  50          2HE       LYS  50   1.352 -14.605  -1.169
  193   1HZ   LYS  50          1HZ       LYS  50  -0.505 -15.672  -0.011
  194   2HZ   LYS  50          2HZ       LYS  50   0.853 -15.699   0.934
  195   3HZ   LYS  50          3HZ       LYS  50  -0.360 -14.632   1.226
  196    H    ALA  51           H        ALA  51   2.467  -7.358   0.698
  197    HA   ALA  51           HA       ALA  51   4.015  -7.162   3.064
  198   1HB   ALA  51          1HB       ALA  51   3.822  -5.378   1.455
  199   2HB   ALA  51          2HB       ALA  51   2.104  -5.138   1.862
  200   3HB   ALA  51          3HB       ALA  51   3.358  -4.821   3.077
  201    H    GLY  52           H        GLY  52   0.401  -7.479   2.600
  202   1HA   GLY  52          1HA       GLY  52  -0.281  -6.996   5.296
  203   2HA   GLY  52          2HA       GLY  52  -1.121  -8.045   4.144
  204    H    ALA  53           H        ALA  53   1.278  -9.844   3.811
  205    HA   ALA  53           HA       ALA  53   0.844 -11.566   6.154
  206   1HB   ALA  53          1HB       ALA  53   2.314 -13.123   5.045
  207   2HB   ALA  53          2HB       ALA  53   1.159 -12.539   3.844
  208   3HB   ALA  53          3HB       ALA  53   2.819 -11.921   3.855
  209    H    ASN  54           H        ASN  54   3.427  -9.632   4.670
  210    HA   ASN  54           HA       ASN  54   5.452 -10.445   6.535
  211   1HB   ASN  54          1HB       ASN  54   5.400  -7.969   4.766
  212   2HB   ASN  54          2HB       ASN  54   6.828  -8.710   5.492
  213   1HD2  ASN  54          1HD2      ASN  54   6.318  -8.207   2.625
  214   2HD2  ASN  54          2HD2      ASN  54   6.363  -9.784   1.862
  215    H    TYR  55           H        TYR  55   3.296  -7.648   6.386
  216    HA   TYR  55           HA       TYR  55   4.277  -6.545   8.970
  217   1HB   TYR  55          1HB       TYR  55   3.460  -4.901   6.557
  218   2HB   TYR  55          2HB       TYR  55   4.227  -4.341   8.042
  219    HD1  TYR  55           1HD      TYR  55   4.936  -4.074   4.909
  220    HD2  TYR  55           2HD      TYR  55   6.558  -6.201   8.290
  221    HE1  TYR  55           1HE      TYR  55   7.153  -4.143   3.810
  222    HE2  TYR  55           2HE      TYR  55   8.752  -6.324   7.152
  223    HH   TYR  55           HH       TYR  55   9.390  -4.743   4.011
  224    H    SER  56           H        SER  56   2.530  -5.014   9.847
  225    HA   SER  56           HA       SER  56  -0.164  -6.182   9.266
  226   1HB   SER  56          1HB       SER  56   0.861  -4.816  11.776
  227   2HB   SER  56          2HB       SER  56  -0.729  -5.565  11.542
  228    HG   SER  56           HG       SER  56   0.482  -7.529  11.002
  229    H    GLU  57           H        GLU  57  -2.004  -4.596   9.792
  230    HA   GLU  57           HA       GLU  57  -1.892  -2.759   7.687
  231   1HB   GLU  57          1HB       GLU  57  -4.122  -2.224   8.159
  232   2HB   GLU  57          2HB       GLU  57  -3.930  -3.912   8.555
  233   1HG   GLU  57          1HG       GLU  57  -5.093  -3.306  10.396
  234   2HG   GLU  57          2HG       GLU  57  -3.513  -2.851  11.040
  235    H    GLU  58           H        GLU  58  -1.374  -2.226  11.218
  236    HA   GLU  58           HA       GLU  58  -1.211   0.559  11.180
  237   1HB   GLU  58          1HB       GLU  58   0.395   0.240  13.098
  238   2HB   GLU  58          2HB       GLU  58  -1.177  -0.549  13.246
  239   1HG   GLU  58          1HG       GLU  58   0.945  -2.307  12.091
  240   2HG   GLU  58          2HG       GLU  58   1.223  -1.789  13.745
  241    H    GLU  59           H        GLU  59   1.358  -1.773  10.302
  242    HA   GLU  59           HA       GLU  59   3.494   0.148  10.080
  243   1HB   GLU  59          1HB       GLU  59   3.086  -2.602   8.840
  244   2HB   GLU  59          2HB       GLU  59   4.628  -1.749   8.906
  245   1HG   GLU  59          1HG       GLU  59   3.131  -2.458  11.472
  246   2HG   GLU  59          2HG       GLU  59   4.162  -3.620  10.635
  247    H    ILE  60           H        ILE  60   1.260  -1.464   7.846
  248    HA   ILE  60           HA       ILE  60   2.402  -0.390   5.432
  249    HB   ILE  60           HB       ILE  60  -0.341  -1.540   6.012
  250   1HG1  ILE  60          1HG1      ILE  60   2.076  -2.830   4.677
  251   2HG1  ILE  60          2HG1      ILE  60   1.680  -3.019   6.388
  252   1HG2  ILE  60          1HG2      ILE  60  -0.191  -1.968   3.404
  253   2HG2  ILE  60          2HG2      ILE  60  -0.740  -0.426   4.052
  254   3HG2  ILE  60          3HG2      ILE  60   0.919  -0.589   3.445
  255   1HD1  ILE  60          1HD1      ILE  60   0.834  -4.932   5.433
  256   2HD1  ILE  60          2HD1      ILE  60  -0.597  -3.917   5.673
  257   3HD1  ILE  60          3HD1      ILE  60   0.120  -4.096   4.050
  258    H    LEU  61           H        LEU  61  -0.364   0.565   7.477
  259    HA   LEU  61           HA       LEU  61  -1.252   2.842   6.134
  260   1HB   LEU  61          1HB       LEU  61  -2.301   1.753   8.069
  261   2HB   LEU  61          2HB       LEU  61  -1.052   2.335   9.140
  262    HG   LEU  61           HG       LEU  61  -1.704   4.631   8.853
  263   1HD1  LEU  61          1HD1      LEU  61  -3.783   5.179   7.470
  264   2HD1  LEU  61          2HD1      LEU  61  -2.343   4.768   6.532
  265   3HD1  LEU  61          3HD1      LEU  61  -3.623   3.558   6.759
  266   1HD2  LEU  61          1HD2      LEU  61  -3.965   4.547   9.803
  267   2HD2  LEU  61          2HD2      LEU  61  -4.162   2.874   9.235
  268   3HD2  LEU  61          3HD2      LEU  61  -2.952   3.256  10.480
  269    H    ASP  62           H        ASP  62   1.182   2.585   8.766
  270    HA   ASP  62           HA       ASP  62   2.013   5.273   8.848
  271   1HB   ASP  62          1HB       ASP  62   3.088   4.124  10.504
  272   2HB   ASP  62          2HB       ASP  62   3.216   2.634   9.576
  273    H    ILE  63           H        ILE  63   3.203   2.610   6.808
  274    HA   ILE  63           HA       ILE  63   5.224   4.234   5.572
  275    HB   ILE  63           HB       ILE  63   4.014   1.519   5.146
  276   1HG1  ILE  63          1HG1      ILE  63   6.922   2.405   5.283
  277   2HG1  ILE  63          2HG1      ILE  63   5.922   2.169   6.723
  278   1HG2  ILE  63          1HG2      ILE  63   5.534   1.173   3.170
  279   2HG2  ILE  63          2HG2      ILE  63   4.083   2.114   2.854
  280   3HG2  ILE  63          3HG2      ILE  63   5.672   2.924   3.018
  281   1HD1  ILE  63          1HD1      ILE  63   6.609   0.014   4.693
  282   2HD1  ILE  63          2HD1      ILE  63   7.209   0.173   6.346
  283   3HD1  ILE  63          3HD1      ILE  63   5.494  -0.184   6.064
  284    H    ILE  64           H        ILE  64   1.871   3.507   4.581
  285    HA   ILE  64           HA       ILE  64   2.027   4.799   2.016
  286    HB   ILE  64           HB       ILE  64  -0.273   4.393   3.960
  287   1HG1  ILE  64          1HG1      ILE  64   0.170   2.953   1.341
  288   2HG1  ILE  64          2HG1      ILE  64   1.084   2.423   2.754
  289   1HG2  ILE  64          1HG2      ILE  64  -0.281   5.369   1.072
  290   2HG2  ILE  64          2HG2      ILE  64  -1.722   4.757   1.907
  291   3HG2  ILE  64          3HG2      ILE  64  -0.921   6.216   2.492
  292   1HD1  ILE  64          1HD1      ILE  64  -0.987   2.119   4.050
  293   2HD1  ILE  64          2HD1      ILE  64  -1.940   2.641   2.661
  294   3HD1  ILE  64          3HD1      ILE  64  -0.958   1.157   2.575
  295    H    LEU  65           H        LEU  65   1.090   5.979   5.261
  296    HA   LEU  65           HA       LEU  65   0.574   8.669   4.414
  297   1HB   LEU  65          1HB       LEU  65   1.248   7.470   7.115
  298   2HB   LEU  65          2HB       LEU  65   0.680   9.125   6.879
  299    HG   LEU  65           HG       LEU  65  -1.014   6.714   6.002
  300   1HD1  LEU  65          1HD1      LEU  65  -2.207   7.023   8.144
  301   2HD1  LEU  65          2HD1      LEU  65  -0.509   6.610   8.458
  302   3HD1  LEU  65          3HD1      LEU  65  -1.060   8.287   8.628
  303   1HD2  LEU  65          1HD2      LEU  65  -1.589   8.805   4.977
  304   2HD2  LEU  65          2HD2      LEU  65  -2.828   8.314   6.148
  305   3HD2  LEU  65          3HD2      LEU  65  -1.687   9.607   6.567
  306    H    ASN  66           H        ASN  66   3.505   7.042   5.534
  307    HA   ASN  66           HA       ASN  66   4.981   9.585   5.841
  308   1HB   ASN  66          1HB       ASN  66   5.505   6.704   6.681
  309   2HB   ASN  66          2HB       ASN  66   6.739   7.927   6.747
  310   1HD2  ASN  66          1HD2      ASN  66   3.683   6.929   8.091
  311   2HD2  ASN  66          2HD2      ASN  66   3.678   8.019   9.471
  312    H    GLY  67           H        GLY  67   5.507   6.412   4.211
  313   1HA   GLY  67          1HA       GLY  67   6.438   6.588   1.879
  314   2HA   GLY  67          2HA       GLY  67   7.710   7.596   2.593
  315    H    GLN  68           H        GLN  68   9.031   5.868   1.665
  316    HA   GLN  68           HA       GLN  68  10.172   4.220   3.637
  317   1HB   GLN  68          1HB       GLN  68   8.447   2.420   2.849
  318   2HB   GLN  68          2HB       GLN  68   8.869   2.867   1.213
  319   1HG   GLN  68          1HG       GLN  68   9.785   0.766   1.997
  320   2HG   GLN  68          2HG       GLN  68  11.046   1.876   1.443
  321   1HE2  GLN  68          1HE2      GLN  68  10.724  -0.572   3.381
  322   2HE2  GLN  68          2HE2      GLN  68  11.679  -0.031   4.762
  323    H    GLY  69           H        GLY  69  12.317   3.538   2.643
  324   1HA   GLY  69          1HA       GLY  69  14.157   4.649   1.545
  325   2HA   GLY  69          2HA       GLY  69  13.590   3.348   0.503
  326    H    GLY  70           H        GLY  70  12.872   3.888  -1.633
  327   1HA   GLY  70          1HA       GLY  70  13.068   6.727  -2.461
  328   2HA   GLY  70          2HA       GLY  70  13.040   5.277  -3.464
  329    H    MET  71           H        MET  71  10.590   5.449  -1.021
  330    HA   MET  71           HA       MET  71   8.477   5.716  -3.049
  331   1HB   MET  71          1HB       MET  71   8.465   3.884  -1.380
  332   2HB   MET  71          2HB       MET  71   8.419   5.045  -0.088
  333   1HG   MET  71          1HG       MET  71   6.294   5.799  -0.537
  334   2HG   MET  71          2HG       MET  71   6.187   5.019  -2.108
  335   1HE   MET  71          1HE       MET  71   3.684   3.425   0.726
  336   2HE   MET  71          2HE       MET  71   4.485   4.991   0.968
  337   3HE   MET  71          3HE       MET  71   3.753   4.604  -0.604
  338    HA   PRO  72           HA       PRO  72   8.377  10.040  -1.895
  339   1HB   PRO  72          1HB       PRO  72   5.891  10.806  -2.866
  340   2HB   PRO  72          2HB       PRO  72   7.339  10.534  -3.877
  341   1HG   PRO  72          1HG       PRO  72   5.112   8.573  -3.290
  342   2HG   PRO  72          2HG       PRO  72   5.812   8.988  -4.881
  343   1HD   PRO  72          1HD       PRO  72   6.603   6.785  -3.577
  344   2HD   PRO  72          2HD       PRO  72   7.846   7.828  -4.344
  345    H    GLY  73           H        GLY  73   5.496   8.109  -1.132
  346   1HA   GLY  73          1HA       GLY  73   4.457   7.826   0.927
  347   2HA   GLY  73          2HA       GLY  73   5.568   9.005   1.644
  348    H    GLY  74           H        GLY  74   2.785   8.875   2.161
  349   1HA   GLY  74          1HA       GLY  74   0.985  10.269   2.407
  350   2HA   GLY  74          2HA       GLY  74   1.961  11.612   1.785
  351    H    ILE  75           H        ILE  75   1.712   8.730  -0.145
  352    HA   ILE  75           HA       ILE  75   0.572  10.064  -2.400
  353    HB   ILE  75           HB       ILE  75   1.231   7.211  -1.633
  354   1HG1  ILE  75          1HG1      ILE  75   2.955   8.906  -2.372
  355   2HG1  ILE  75          2HG1      ILE  75   2.923   7.363  -3.246
  356   1HG2  ILE  75          1HG2      ILE  75   0.679   6.437  -3.923
  357   2HG2  ILE  75          2HG2      ILE  75  -0.736   6.833  -2.945
  358   3HG2  ILE  75          3HG2      ILE  75  -0.174   7.968  -4.201
  359   1HD1  ILE  75          1HD1      ILE  75   3.278   9.337  -4.733
  360   2HD1  ILE  75          2HD1      ILE  75   1.859   8.387  -5.175
  361   3HD1  ILE  75          3HD1      ILE  75   1.668   9.933  -4.318
  362    H    ALA  76           H        ALA  76  -0.816   8.399   0.346
  363    HA   ALA  76           HA       ALA  76  -3.453   9.202  -0.555
  364   1HB   ALA  76          1HB       ALA  76  -3.514   6.848  -1.177
  365   2HB   ALA  76          2HB       ALA  76  -2.646   6.374   0.299
  366   3HB   ALA  76          3HB       ALA  76  -4.310   6.944   0.412
  367    H    LYS  77           H        LYS  77  -4.758   9.773   1.376
  368    HA   LYS  77           HA       LYS  77  -3.456   9.296   3.984
  369   1HB   LYS  77          1HB       LYS  77  -4.116  12.057   2.875
  370   2HB   LYS  77          2HB       LYS  77  -3.876  11.683   4.569
  371   1HG   LYS  77          1HG       LYS  77  -1.544  10.651   3.672
  372   2HG   LYS  77          2HG       LYS  77  -1.874  11.730   2.323
  373   1HD   LYS  77          1HD       LYS  77  -0.549  13.020   3.760
  374   2HD   LYS  77          2HD       LYS  77  -2.191  13.570   4.150
  375   1HE   LYS  77          1HE       LYS  77  -2.170  11.893   6.097
  376   2HE   LYS  77          2HE       LYS  77  -0.487  11.520   5.681
  377   1HZ   LYS  77          1HZ       LYS  77  -0.606  13.072   7.453
  378   2HZ   LYS  77          2HZ       LYS  77   0.052  13.819   6.149
  379   3HZ   LYS  77          3HZ       LYS  77  -1.511  14.128   6.577
  380    H    GLY  78           H        GLY  78  -4.719   9.672   5.835
  381   1HA   GLY  78          1HA       GLY  78  -6.609   9.356   7.073
  382   2HA   GLY  78          2HA       GLY  78  -7.480  10.290   5.842
  383    H    ALA  79           H        ALA  79  -9.288   8.983   5.759
  384    HA   ALA  79           HA       ALA  79  -9.693   6.341   5.815
  385   1HB   ALA  79          1HB       ALA  79 -11.478   7.982   5.582
  386   2HB   ALA  79          2HB       ALA  79 -11.040   8.255   3.879
  387   3HB   ALA  79          3HB       ALA  79 -11.669   6.675   4.401
  388    H    GLU  80           H        GLU  80  -8.332   8.056   3.046
  389    HA   GLU  80           HA       GLU  80  -8.392   6.049   1.046
  390   1HB   GLU  80          1HB       GLU  80  -7.731   8.622   1.105
  391   2HB   GLU  80          2HB       GLU  80  -6.134   7.997   1.488
  392   1HG   GLU  80          1HG       GLU  80  -6.255   6.708  -0.707
  393   2HG   GLU  80          2HG       GLU  80  -7.778   7.549  -1.027
  394    H    ALA  81           H        ALA  81  -5.752   6.887   3.424
  395    HA   ALA  81           HA       ALA  81  -4.127   4.647   2.598
  396   1HB   ALA  81          1HB       ALA  81  -3.917   6.477   5.020
  397   2HB   ALA  81          2HB       ALA  81  -2.648   5.413   4.364
  398   3HB   ALA  81          3HB       ALA  81  -3.209   6.802   3.422
  399    H    GLU  82           H        GLU  82  -6.396   5.380   5.268
  400    HA   GLU  82           HA       GLU  82  -5.873   3.094   6.897
  401   1HB   GLU  82          1HB       GLU  82  -8.457   4.618   6.418
  402   2HB   GLU  82          2HB       GLU  82  -8.178   3.496   7.745
  403   1HG   GLU  82          1HG       GLU  82  -6.553   4.907   8.768
  404   2HG   GLU  82          2HG       GLU  82  -6.399   5.943   7.351
  405    H    ALA  83           H        ALA  83  -8.258   3.605   4.251
  406    HA   ALA  83           HA       ALA  83  -9.305   0.978   4.251
  407   1HB   ALA  83          1HB       ALA  83  -9.070   2.891   1.892
  408   2HB   ALA  83          2HB       ALA  83 -10.191   1.521   2.073
  409   3HB   ALA  83          3HB       ALA  83 -10.355   2.921   3.127
  410    H    VAL  84           H        VAL  84  -6.586   2.420   2.303
  411    HA   VAL  84           HA       VAL  84  -5.798   0.046   0.990
  412    HB   VAL  84           HB       VAL  84  -4.019   2.221   2.129
  413   1HG1  VAL  84          1HG1      VAL  84  -3.336  -0.058   0.209
  414   2HG1  VAL  84          2HG1      VAL  84  -2.291   1.294   0.694
  415   3HG1  VAL  84          3HG1      VAL  84  -2.724   0.066   1.862
  416   1HG2  VAL  84          1HG2      VAL  84  -5.309   3.092   0.279
  417   2HG2  VAL  84          2HG2      VAL  84  -3.658   2.737  -0.291
  418   3HG2  VAL  84          3HG2      VAL  84  -4.999   1.635  -0.676
  419    H    ALA  85           H        ALA  85  -4.734   1.170   4.271
  420    HA   ALA  85           HA       ALA  85  -2.944  -0.894   4.810
  421   1HB   ALA  85          1HB       ALA  85  -4.807   0.475   6.812
  422   2HB   ALA  85          2HB       ALA  85  -3.264  -0.311   7.143
  423   3HB   ALA  85          3HB       ALA  85  -3.309   1.160   6.152
  424    H    ALA  86           H        ALA  86  -6.414  -0.792   5.756
  425    HA   ALA  86           HA       ALA  86  -6.536  -3.429   6.787
  426   1HB   ALA  86          1HB       ALA  86  -8.974  -3.216   6.488
  427   2HB   ALA  86          2HB       ALA  86  -8.268  -1.742   7.184
  428   3HB   ALA  86          3HB       ALA  86  -8.734  -1.780   5.467
  429    H    TRP  87           H        TRP  87  -7.255  -2.234   3.465
  430    HA   TRP  87           HA       TRP  87  -8.079  -4.732   2.386
  431   1HB   TRP  87          1HB       TRP  87  -8.605  -2.651   1.372
  432   2HB   TRP  87          2HB       TRP  87  -6.878  -2.244   1.216
  433    HD1  TRP  87           HD       TRP  87  -9.506  -4.486  -0.499
  434    HE1  TRP  87           1HE      TRP  87  -8.532  -5.367  -2.687
  435    HE3  TRP  87           3HE      TRP  87  -4.962  -2.107  -0.388
  436    HZ2  TRP  87           2HZ      TRP  87  -5.092  -5.033  -3.151
  437    HZ3  TRP  87           3HZ      TRP  87  -3.637  -2.091  -2.495
  438    HH2  TRP  87           HH       TRP  87  -4.484  -3.183  -4.535
  439    H    LEU  88           H        LEU  88  -4.841  -3.203   2.471
  440    HA   LEU  88           HA       LEU  88  -3.597  -5.234   0.910
  441   1HB   LEU  88          1HB       LEU  88  -2.797  -2.705   1.849
  442   2HB   LEU  88          2HB       LEU  88  -1.722  -3.837   2.644
  443    HG   LEU  88           HG       LEU  88  -0.957  -2.971   0.425
  444   1HD1  LEU  88          1HD1      LEU  88  -1.405  -5.993   0.569
  445   2HD1  LEU  88          2HD1      LEU  88  -0.362  -5.172  -0.595
  446   3HD1  LEU  88          3HD1      LEU  88   0.002  -5.082   1.150
  447   1HD2  LEU  88          1HD2      LEU  88  -1.718  -3.545  -1.631
  448   2HD2  LEU  88          2HD2      LEU  88  -3.150  -4.345  -0.951
  449   3HD2  LEU  88          3HD2      LEU  88  -2.814  -2.604  -0.611
  450    H    ALA  89           H        ALA  89  -3.889  -4.627   4.401
  451    HA   ALA  89           HA       ALA  89  -2.560  -6.934   5.376
  452   1HB   ALA  89          1HB       ALA  89  -5.036  -5.587   6.478
  453   2HB   ALA  89          2HB       ALA  89  -4.008  -6.766   7.315
  454   3HB   ALA  89          3HB       ALA  89  -3.338  -5.195   6.827
  455    H    GLU  90           H        GLU  90  -5.950  -6.525   4.222
  456    HA   GLU  90           HA       GLU  90  -6.609  -9.287   4.600
  457   1HB   GLU  90          1HB       GLU  90  -8.157  -7.450   4.728
  458   2HB   GLU  90          2HB       GLU  90  -7.916  -7.025   3.044
  459   1HG   GLU  90          1HG       GLU  90  -8.890  -9.819   3.711
  460   2HG   GLU  90          2HG       GLU  90 -10.006  -8.458   3.860
  461    H    LYS  91           H        LYS  91  -4.568  -7.903   2.201
  462    HA   LYS  91           HA       LYS  91  -5.541  -9.528  -0.021
  463   1HB   LYS  91          1HB       LYS  91  -4.263  -7.103   0.342
  464   2HB   LYS  91          2HB       LYS  91  -2.933  -8.080  -0.218
  465   1HG   LYS  91          1HG       LYS  91  -5.692  -7.711  -1.522
  466   2HG   LYS  91          2HG       LYS  91  -4.252  -6.781  -1.934
  467   1HD   LYS  91          1HD       LYS  91  -4.552  -9.801  -2.310
  468   2HD   LYS  91          2HD       LYS  91  -4.676  -8.551  -3.561
  469   1HE   LYS  91          1HE       LYS  91  -2.305  -7.803  -2.761
  470   2HE   LYS  91          2HE       LYS  91  -2.199  -9.362  -1.936
  471   1HZ   LYS  91          1HZ       LYS  91  -2.272 -10.446  -4.000
  472   2HZ   LYS  91          2HZ       LYS  91  -2.903  -9.154  -4.808
  473   3HZ   LYS  91          3HZ       LYS  91  -1.347  -9.128  -4.344
  474    H    LYS  92           H        LYS  92  -3.711 -10.186   2.636
  475    HA   LYS  92           HA       LYS  92  -1.292 -11.247   1.597
  476   1HB   LYS  92          1HB       LYS  92  -0.814 -11.623   3.849
  477   2HB   LYS  92          2HB       LYS  92  -1.693 -10.095   3.626
  478   1HG   LYS  92          1HG       LYS  92  -3.810 -11.384   4.327
  479   2HG   LYS  92          2HG       LYS  92  -2.778 -12.759   4.722
  480   1HD   LYS  92          1HD       LYS  92  -1.721 -11.572   6.552
  481   2HD   LYS  92          2HD       LYS  92  -2.253 -10.027   5.924
  482   1HE   LYS  92          1HE       LYS  92  -3.608 -10.399   7.813
  483   2HE   LYS  92          2HE       LYS  92  -4.638 -10.582   6.394
  484   1HZ   LYS  92          1HZ       LYS  92  -5.085 -12.297   7.908
  485   2HZ   LYS  92          2HZ       LYS  92  -4.368 -12.963   6.584
  486   3HZ   LYS  92          3HZ       LYS  92  -3.507 -12.768   7.981
  487    HHA  HEC  93           HHA      HEC  93   8.543  -0.062   0.470
  488    HHB  HEC  93           HHB      HEC  93   2.112  -0.121   0.735
  489    HHC  HEC  93           HHC      HEC  93   2.112   4.368  -3.834
  490    HHD  HEC  93           HHD      HEC  93   8.346   3.287  -4.930
  491   1HMA  HEC  93          1HMA      HEC  93   3.934  -2.538   2.252
  492   2HMA  HEC  93          2HMA      HEC  93   4.501  -1.418   3.511
  493   3HMA  HEC  93          3HMA      HEC  93   3.001  -1.080   2.651
  494   1HAA  HEC  93          1HAA      HEC  93   6.791  -1.832   3.122
  495   2HAA  HEC  93          2HAA      HEC  93   7.880  -0.579   2.633
  496   1HBA  HEC  93          1HBA      HEC  93   8.107  -2.081   0.483
  497   2HBA  HEC  93          2HBA      HEC  93   7.407  -3.343   1.487
  498   1HMB  HEC  93          1HMB      HEC  93  -0.008   0.752   0.543
  499   2HMB  HEC  93          2HMB      HEC  93  -0.959   1.119  -0.902
  500   3HMB  HEC  93          3HMB      HEC  93   0.095  -0.282  -0.890
  501    HAB  HEC  93           HAB      HEC  93   0.136   3.942  -3.359
  502   1HBB  HEC  93          1HBB      HEC  93  -0.493   4.839  -1.209
  503   2HBB  HEC  93          2HBB      HEC  93  -1.929   4.274  -2.081
  504   3HBB  HEC  93          3HBB      HEC  93  -1.271   3.321  -0.739
  505   1HMC  HEC  93          1HMC      HEC  93   2.729   5.836  -5.276
  506   2HMC  HEC  93          2HMC      HEC  93   4.111   6.489  -6.115
  507   3HMC  HEC  93          3HMC      HEC  93   3.318   5.034  -6.735
  508    HAC  HEC  93           HAC      HEC  93   7.628   4.351  -6.562
  509   1HBC  HEC  93          1HBC      HEC  93   7.857   6.545  -6.092
  510   2HBC  HEC  93          2HBC      HEC  93   7.205   6.548  -7.726
  511   3HBC  HEC  93          3HBC      HEC  93   6.154   6.959  -6.361
  512   1HMD  HEC  93          1HMD      HEC  93  11.071   2.774  -3.849
  513   2HMD  HEC  93          2HMD      HEC  93  11.131   1.003  -4.046
  514   3HMD  HEC  93          3HMD      HEC  93  10.038   1.944  -5.040
  515   1HAD  HEC  93          1HAD      HEC  93  10.835  -0.544  -1.281
  516   2HAD  HEC  93          2HAD      HEC  93  10.434   0.431  -0.011
  517   1HBD  HEC  93          1HBD      HEC  93  12.559   0.994  -0.118
  518   2HBD  HEC  93          2HBD      HEC  93  11.658   2.387  -0.737
  Start of MODEL    7
    1   1H    VAL  22          1H        VAL  22 -14.512   4.085   0.219
    2   2H    VAL  22          2H        VAL  22 -13.493   3.997   1.514
    3   3H    VAL  22          3H        VAL  22 -14.254   5.440   1.148
    4    HA   VAL  22           HA       VAL  22 -13.128   5.444  -0.969
    5    HB   VAL  22           HB       VAL  22 -11.090   5.191   1.291
    6   1HG1  VAL  22          1HG1      VAL  22 -11.168   6.749  -1.340
    7   2HG1  VAL  22          2HG1      VAL  22  -9.906   6.894  -0.110
    8   3HG1  VAL  22          3HG1      VAL  22 -10.127   5.360  -0.968
    9   1HG2  VAL  22          1HG2      VAL  22 -11.399   7.647   1.576
   10   2HG2  VAL  22          2HG2      VAL  22 -12.819   7.582   0.512
   11   3HG2  VAL  22          3HG2      VAL  22 -12.821   6.734   2.080
   12    H    ASP  23           H        ASP  23 -12.927   3.889  -2.384
   13    HA   ASP  23           HA       ASP  23 -12.828   1.248  -1.776
   14   1HB   ASP  23          1HB       ASP  23 -12.347   2.644  -4.431
   15   2HB   ASP  23          2HB       ASP  23 -12.886   0.968  -4.221
   16    H    ALA  24           H        ALA  24 -11.114   0.533  -0.689
   17    HA   ALA  24           HA       ALA  24  -8.570   1.362  -0.689
   18   1HB   ALA  24          1HB       ALA  24  -9.426  -1.484  -0.167
   19   2HB   ALA  24          2HB       ALA  24  -7.975  -0.628   0.433
   20   3HB   ALA  24          3HB       ALA  24  -9.589  -0.133   0.976
   21    H    GLU  25           H        GLU  25  -9.602  -1.555  -2.568
   22    HA   GLU  25           HA       GLU  25  -6.983  -1.927  -3.625
   23   1HB   GLU  25          1HB       GLU  25  -7.784  -3.653  -4.863
   24   2HB   GLU  25          2HB       GLU  25  -8.975  -3.589  -3.562
   25   1HG   GLU  25          1HG       GLU  25 -10.499  -2.331  -5.098
   26   2HG   GLU  25          2HG       GLU  25  -9.276  -2.504  -6.404
   27    H    ALA  26           H        ALA  26  -9.834  -0.109  -4.833
   28    HA   ALA  26           HA       ALA  26  -8.845   0.555  -7.372
   29   1HB   ALA  26          1HB       ALA  26 -10.545   2.396  -5.677
   30   2HB   ALA  26          2HB       ALA  26 -10.445   2.313  -7.436
   31   3HB   ALA  26          3HB       ALA  26 -11.187   0.972  -6.537
   32    H    VAL  27           H        VAL  27  -8.420   2.272  -4.241
   33    HA   VAL  27           HA       VAL  27  -6.727   4.391  -5.126
   34    HB   VAL  27           HB       VAL  27  -6.620   2.793  -2.531
   35   1HG1  VAL  27          1HG1      VAL  27  -4.437   3.878  -2.889
   36   2HG1  VAL  27          2HG1      VAL  27  -5.258   5.411  -3.257
   37   3HG1  VAL  27          3HG1      VAL  27  -5.347   4.712  -1.633
   38   1HG2  VAL  27          1HG2      VAL  27  -8.739   4.080  -2.914
   39   2HG2  VAL  27          2HG2      VAL  27  -7.776   4.712  -1.572
   40   3HG2  VAL  27          3HG2      VAL  27  -7.769   5.549  -3.137
   41    H    VAL  28           H        VAL  28  -5.686   1.026  -4.038
   42    HA   VAL  28           HA       VAL  28  -3.055   1.849  -4.682
   43    HB   VAL  28           HB       VAL  28  -4.216  -0.866  -4.026
   44   1HG1  VAL  28          1HG1      VAL  28  -1.895  -0.990  -5.075
   45   2HG1  VAL  28          2HG1      VAL  28  -1.296  -0.153  -3.618
   46   3HG1  VAL  28          3HG1      VAL  28  -2.034  -1.691  -3.461
   47   1HG2  VAL  28          1HG2      VAL  28  -3.478   1.594  -2.502
   48   2HG2  VAL  28          2HG2      VAL  28  -4.527   0.245  -2.052
   49   3HG2  VAL  28          3HG2      VAL  28  -2.757   0.150  -1.849
   50    H    GLN  29           H        GLN  29  -5.337  -0.011  -6.402
   51    HA   GLN  29           HA       GLN  29  -3.917  -0.612  -8.788
   52   1HB   GLN  29          1HB       GLN  29  -6.861  -0.363  -8.069
   53   2HB   GLN  29          2HB       GLN  29  -6.346  -0.927  -9.630
   54   1HG   GLN  29          1HG       GLN  29  -5.640  -2.270  -6.998
   55   2HG   GLN  29          2HG       GLN  29  -6.830  -2.816  -8.182
   56   1HE2  GLN  29          1HE2      GLN  29  -3.904  -3.705  -7.107
   57   2HE2  GLN  29          2HE2      GLN  29  -3.114  -4.138  -8.618
   58    H    GLN  30           H        GLN  30  -4.635   2.493  -7.638
   59    HA   GLN  30           HA       GLN  30  -3.927   3.385 -10.391
   60   1HB   GLN  30          1HB       GLN  30  -6.406   3.897  -9.187
   61   2HB   GLN  30          2HB       GLN  30  -5.495   5.385  -8.909
   62   1HG   GLN  30          1HG       GLN  30  -4.977   5.478 -11.357
   63   2HG   GLN  30          2HG       GLN  30  -5.824   3.937 -11.585
   64   1HE2  GLN  30          1HE2      GLN  30  -6.452   7.211 -10.161
   65   2HE2  GLN  30          2HE2      GLN  30  -8.094   7.296 -10.785
   66    H    LYS  31           H        LYS  31  -3.238   3.700  -6.989
   67    HA   LYS  31           HA       LYS  31  -1.524   6.075  -7.504
   68   1HB   LYS  31          1HB       LYS  31  -3.601   5.465  -5.647
   69   2HB   LYS  31          2HB       LYS  31  -2.146   5.529  -4.697
   70   1HG   LYS  31          1HG       LYS  31  -1.880   7.831  -5.120
   71   2HG   LYS  31          2HG       LYS  31  -2.704   7.750  -6.692
   72   1HD   LYS  31          1HD       LYS  31  -4.853   7.407  -5.683
   73   2HD   LYS  31          2HD       LYS  31  -4.168   7.299  -4.065
   74   1HE   LYS  31          1HE       LYS  31  -3.585   9.843  -5.566
   75   2HE   LYS  31          2HE       LYS  31  -5.282   9.542  -5.157
   76   1HZ   LYS  31          1HZ       LYS  31  -4.230  10.741  -3.390
   77   2HZ   LYS  31          2HZ       LYS  31  -4.707   9.258  -2.895
   78   3HZ   LYS  31          3HZ       LYS  31  -3.117   9.546  -3.162
   79    H    CYS  32           H        CYS  32  -1.310   2.697  -6.731
   80    HA   CYS  32           HA       CYS  32   1.463   3.107  -5.666
   81   1HB   CYS  32          1HB       CYS  32  -0.304   0.768  -5.222
   82   2HB   CYS  32          2HB       CYS  32   1.104   1.206  -4.269
   83    H    ILE  33           H        ILE  33  -0.636   0.995  -7.660
   84    HA   ILE  33           HA       ILE  33   1.256  -0.774  -8.632
   85    HB   ILE  33           HB       ILE  33  -0.052  -0.881 -10.705
   86   1HG1  ILE  33          1HG1      ILE  33  -1.944   1.210  -9.586
   87   2HG1  ILE  33          2HG1      ILE  33  -0.690   1.609 -10.759
   88   1HG2  ILE  33          1HG2      ILE  33  -2.107  -1.755  -9.673
   89   2HG2  ILE  33          2HG2      ILE  33  -0.691  -2.184  -8.729
   90   3HG2  ILE  33          3HG2      ILE  33  -1.735  -0.884  -8.175
   91   1HD1  ILE  33          1HD1      ILE  33  -2.725   1.226 -11.956
   92   2HD1  ILE  33          2HD1      ILE  33  -1.561  -0.048 -12.352
   93   3HD1  ILE  33          3HD1      ILE  33  -2.913  -0.391 -11.254
   94    H    SER  34           H        SER  34   0.908   2.588  -9.425
   95    HA   SER  34           HA       SER  34   2.346   3.094 -11.660
   96   1HB   SER  34          1HB       SER  34   1.326   4.738 -10.044
   97   2HB   SER  34          2HB       SER  34   2.760   4.545  -9.011
   98    HG   SER  34           HG       SER  34   2.871   6.337 -10.490
   99    H    CYS  35           H        CYS  35   3.781   2.166  -8.482
  100    HA   CYS  35           HA       CYS  35   6.396   1.751  -9.893
  101   1HB   CYS  35          1HB       CYS  35   6.256   2.162  -6.904
  102   2HB   CYS  35          2HB       CYS  35   7.604   2.302  -8.007
  103    H    HIS  36           H        HIS  36   4.087   0.449  -7.456
  104    HA   HIS  36           HA       HIS  36   5.681  -1.920  -7.028
  105   1HB   HIS  36          1HB       HIS  36   2.861  -1.135  -6.260
  106   2HB   HIS  36          2HB       HIS  36   3.588  -2.692  -5.842
  107    HD1  HIS  36           1HD      HIS  36   5.779  -2.639  -4.196
  108    HD2  HIS  36           2HD      HIS  36   3.661   0.983  -4.748
  109    HE1  HIS  36           1HE      HIS  36   6.488  -1.064  -2.329
  110    H    GLY  37           H        GLY  37   3.574  -1.114  -9.641
  111   1HA   GLY  37          1HA       GLY  37   3.349  -2.364 -11.572
  112   2HA   GLY  37          2HA       GLY  37   3.859  -3.846 -10.746
  113    H    GLY  38           H        GLY  38   1.489  -3.502 -12.419
  114   1HA   GLY  38          1HA       GLY  38  -0.954  -2.942 -11.387
  115   2HA   GLY  38          2HA       GLY  38  -0.655  -4.316 -12.451
  116    H    ASP  39           H        ASP  39   0.404  -6.267 -11.213
  117    HA   ASP  39           HA       ASP  39  -1.484  -7.221  -9.361
  118   1HB   ASP  39          1HB       ASP  39   1.243  -8.385 -10.011
  119   2HB   ASP  39          2HB       ASP  39  -0.214  -9.256  -9.516
  120    H    LEU  40           H        LEU  40   1.059  -5.120  -8.691
  121    HA   LEU  40           HA       LEU  40   2.197  -4.452  -6.893
  122   1HB   LEU  40          1HB       LEU  40   0.168  -6.028  -5.274
  123   2HB   LEU  40          2HB       LEU  40   1.180  -4.710  -4.698
  124    HG   LEU  40           HG       LEU  40  -0.778  -4.300  -7.011
  125   1HD1  LEU  40          1HD1      LEU  40  -2.358  -3.411  -5.381
  126   2HD1  LEU  40          2HD1      LEU  40  -2.081  -5.146  -5.171
  127   3HD1  LEU  40          3HD1      LEU  40  -1.311  -3.996  -4.055
  128   1HD2  LEU  40          1HD2      LEU  40   0.429  -2.342  -5.019
  129   2HD2  LEU  40          2HD2      LEU  40   1.047  -2.606  -6.660
  130   3HD2  LEU  40          3HD2      LEU  40  -0.570  -1.972  -6.433
  131    H    THR  41           H        THR  41   2.782  -7.079  -8.212
  132    HA   THR  41           HA       THR  41   4.205  -8.666  -6.272
  133    HB   THR  41           HB       THR  41   4.909  -9.751  -8.516
  134    HG1  THR  41           1HG      THR  41   4.579  -8.028  -9.900
  135   1HG2  THR  41          1HG2      THR  41   3.030 -10.630  -7.192
  136   2HG2  THR  41          2HG2      THR  41   1.935  -9.420  -7.881
  137   3HG2  THR  41          3HG2      THR  41   2.637 -10.668  -8.924
  138    H    GLY  42           H        GLY  42   4.900  -5.595  -7.595
  139   1HA   GLY  42          1HA       GLY  42   6.681  -4.465  -6.776
  140   2HA   GLY  42          2HA       GLY  42   7.609  -5.952  -6.532
  141    H    ALA  43           H        ALA  43   6.459  -3.692  -9.025
  142    HA   ALA  43           HA       ALA  43   8.394  -4.667 -11.008
  143   1HB   ALA  43          1HB       ALA  43   6.511  -2.277 -11.030
  144   2HB   ALA  43          2HB       ALA  43   7.560  -2.777 -12.374
  145   3HB   ALA  43          3HB       ALA  43   6.277  -3.856 -11.794
  146    H    SER  44           H        SER  44   8.009  -1.267  -9.949
  147    HA   SER  44           HA       SER  44  10.951  -0.891 -10.003
  148   1HB   SER  44          1HB       SER  44   8.682   1.123  -9.812
  149   2HB   SER  44          2HB       SER  44  10.393   1.479 -10.082
  150    HG   SER  44           HG       SER  44  10.199   0.179 -12.027
  151    H    ALA  45           H        ALA  45   8.852  -1.920  -7.736
  152    HA   ALA  45           HA       ALA  45  10.237  -0.754  -5.405
  153   1HB   ALA  45          1HB       ALA  45   8.231   0.674  -5.841
  154   2HB   ALA  45          2HB       ALA  45   7.221  -0.771  -5.883
  155   3HB   ALA  45          3HB       ALA  45   8.027  -0.302  -4.378
  156    HA   PRO  46           HA       PRO  46   9.914  -5.066  -4.455
  157   1HB   PRO  46          1HB       PRO  46   9.343  -5.232  -1.753
  158   2HB   PRO  46          2HB       PRO  46  10.930  -4.731  -2.406
  159   1HG   PRO  46          1HG       PRO  46   8.637  -2.952  -1.558
  160   2HG   PRO  46          2HG       PRO  46  10.346  -2.849  -1.031
  161   1HD   PRO  46          1HD       PRO  46   9.411  -1.286  -3.027
  162   2HD   PRO  46          2HD       PRO  46  11.012  -2.053  -3.220
  163    H    ALA  47           H        ALA  47   8.462  -6.777  -3.741
  164    HA   ALA  47           HA       ALA  47   5.800  -6.399  -4.746
  165   1HB   ALA  47          1HB       ALA  47   7.046  -8.716  -3.221
  166   2HB   ALA  47          2HB       ALA  47   5.589  -8.777  -4.254
  167   3HB   ALA  47          3HB       ALA  47   7.195  -8.489  -4.954
  168    H    ILE  48           H        ILE  48   4.187  -5.484  -3.599
  169    HA   ILE  48           HA       ILE  48   4.195  -5.845  -0.629
  170    HB   ILE  48           HB       ILE  48   3.127  -3.749  -0.261
  171   1HG1  ILE  48          1HG1      ILE  48   3.279  -1.986  -2.092
  172   2HG1  ILE  48          2HG1      ILE  48   3.337  -3.312  -3.251
  173   1HG2  ILE  48          1HG2      ILE  48   5.583  -4.000  -0.220
  174   2HG2  ILE  48          2HG2      ILE  48   5.650  -3.493  -1.919
  175   3HG2  ILE  48          3HG2      ILE  48   5.080  -2.367  -0.682
  176   1HD1  ILE  48          1HD1      ILE  48   1.053  -4.009  -2.461
  177   2HD1  ILE  48          2HD1      ILE  48   1.141  -2.797  -1.162
  178   3HD1  ILE  48          3HD1      ILE  48   1.055  -2.278  -2.846
  179    H    ASP  49           H        ASP  49   2.730  -6.863  -3.406
  180    HA   ASP  49           HA       ASP  49   0.122  -7.416  -2.968
  181   1HB   ASP  49          1HB       ASP  49   0.644  -9.681  -3.795
  182   2HB   ASP  49          2HB       ASP  49   1.467  -8.437  -4.721
  183    H    LYS  50           H        LYS  50   2.759  -8.984  -1.316
  184    HA   LYS  50           HA       LYS  50   0.977 -10.414   0.538
  185   1HB   LYS  50          1HB       LYS  50   2.540 -12.009   0.681
  186   2HB   LYS  50          2HB       LYS  50   2.974 -11.377  -0.898
  187   1HG   LYS  50          1HG       LYS  50   4.371 -10.941   1.782
  188   2HG   LYS  50          2HG       LYS  50   4.939 -11.866   0.433
  189   1HD   LYS  50          1HD       LYS  50   4.482  -9.030  -0.350
  190   2HD   LYS  50          2HD       LYS  50   5.511  -9.156   1.046
  191   1HE   LYS  50          1HE       LYS  50   6.877  -9.202  -0.931
  192   2HE   LYS  50          2HE       LYS  50   6.950 -10.803  -0.212
  193   1HZ   LYS  50          1HZ       LYS  50   6.537 -10.778  -2.654
  194   2HZ   LYS  50          2HZ       LYS  50   5.355 -11.567  -1.828
  195   3HZ   LYS  50          3HZ       LYS  50   5.066 -10.065  -2.392
  196    H    ALA  51           H        ALA  51   2.132  -7.388   0.677
  197    HA   ALA  51           HA       ALA  51   3.835  -7.216   2.879
  198   1HB   ALA  51          1HB       ALA  51   3.075  -4.891   3.062
  199   2HB   ALA  51          2HB       ALA  51   3.324  -5.382   1.370
  200   3HB   ALA  51          3HB       ALA  51   1.685  -5.264   2.028
  201    H    GLY  52           H        GLY  52   0.226  -7.491   2.862
  202   1HA   GLY  52          1HA       GLY  52  -0.215  -7.127   5.596
  203   2HA   GLY  52          2HA       GLY  52  -1.171  -8.163   4.515
  204    H    ALA  53           H        ALA  53   1.168  -9.983   3.983
  205    HA   ALA  53           HA       ALA  53   0.976 -11.716   6.340
  206   1HB   ALA  53          1HB       ALA  53   1.178 -12.668   4.040
  207   2HB   ALA  53          2HB       ALA  53   2.794 -11.942   3.902
  208   3HB   ALA  53          3HB       ALA  53   2.479 -13.181   5.122
  209    H    ASN  54           H        ASN  54   3.409  -9.585   4.844
  210    HA   ASN  54           HA       ASN  54   5.534 -10.380   6.657
  211   1HB   ASN  54          1HB       ASN  54   5.269  -7.980   4.792
  212   2HB   ASN  54          2HB       ASN  54   6.727  -8.407   5.695
  213   1HD2  ASN  54          1HD2      ASN  54   7.336  -8.212   3.215
  214   2HD2  ASN  54          2HD2      ASN  54   7.444  -9.780   2.432
  215    H    TYR  55           H        TYR  55   3.167  -7.762   6.579
  216    HA   TYR  55           HA       TYR  55   4.134  -6.587   9.124
  217   1HB   TYR  55          1HB       TYR  55   3.441  -5.033   6.600
  218   2HB   TYR  55          2HB       TYR  55   4.051  -4.373   8.111
  219    HD1  TYR  55           1HD      TYR  55   5.007  -4.392   4.983
  220    HD2  TYR  55           2HD      TYR  55   6.417  -5.954   8.747
  221    HE1  TYR  55           1HE      TYR  55   7.344  -4.316   4.148
  222    HE2  TYR  55           2HE      TYR  55   8.728  -5.950   7.883
  223    HH   TYR  55           HH       TYR  55  10.117  -5.359   6.134
  224    H    SER  56           H        SER  56   2.468  -5.134  10.017
  225    HA   SER  56           HA       SER  56  -0.294  -6.112   9.392
  226   1HB   SER  56          1HB       SER  56   1.013  -4.818  11.793
  227   2HB   SER  56          2HB       SER  56  -0.748  -4.803  11.595
  228    HG   SER  56           HG       SER  56  -0.031  -6.578  12.764
  229    H    GLU  57           H        GLU  57  -2.071  -4.521   9.548
  230    HA   GLU  57           HA       GLU  57  -1.909  -2.520   7.616
  231   1HB   GLU  57          1HB       GLU  57  -4.019  -1.616   8.700
  232   2HB   GLU  57          2HB       GLU  57  -4.089  -3.269   8.136
  233   1HG   GLU  57          1HG       GLU  57  -3.824  -4.120  10.440
  234   2HG   GLU  57          2HG       GLU  57  -3.665  -2.456  11.042
  235    H    GLU  58           H        GLU  58  -1.522  -2.176  11.171
  236    HA   GLU  58           HA       GLU  58  -1.207   0.563  11.372
  237   1HB   GLU  58          1HB       GLU  58   0.100   0.047  13.416
  238   2HB   GLU  58          2HB       GLU  58  -1.357  -0.928  13.246
  239   1HG   GLU  58          1HG       GLU  58   0.385  -2.662  12.107
  240   2HG   GLU  58          2HG       GLU  58   1.511  -1.772  13.133
  241    H    GLU  59           H        GLU  59   1.379  -1.781  10.541
  242    HA   GLU  59           HA       GLU  59   3.494   0.137  10.281
  243   1HB   GLU  59          1HB       GLU  59   3.045  -2.657   9.150
  244   2HB   GLU  59          2HB       GLU  59   4.581  -1.812   9.046
  245   1HG   GLU  59          1HG       GLU  59   4.783  -1.761  11.483
  246   2HG   GLU  59          2HG       GLU  59   3.185  -2.507  11.665
  247    H    ILE  60           H        ILE  60   1.344  -1.475   7.940
  248    HA   ILE  60           HA       ILE  60   2.562  -0.393   5.585
  249    HB   ILE  60           HB       ILE  60  -0.211  -1.493   6.108
  250   1HG1  ILE  60          1HG1      ILE  60   2.013  -2.839   4.558
  251   2HG1  ILE  60          2HG1      ILE  60   1.963  -2.960   6.320
  252   1HG2  ILE  60          1HG2      ILE  60  -0.243  -1.829   3.561
  253   2HG2  ILE  60          2HG2      ILE  60  -0.470  -0.192   4.165
  254   3HG2  ILE  60          3HG2      ILE  60   1.105  -0.681   3.495
  255   1HD1  ILE  60          1HD1      ILE  60   0.903  -4.900   5.344
  256   2HD1  ILE  60          2HD1      ILE  60  -0.289  -3.942   6.237
  257   3HD1  ILE  60          3HD1      ILE  60  -0.261  -3.892   4.465
  258    H    LEU  61           H        LEU  61  -0.244   0.600   7.489
  259    HA   LEU  61           HA       LEU  61  -1.137   2.897   6.201
  260   1HB   LEU  61          1HB       LEU  61  -2.163   1.805   8.176
  261   2HB   LEU  61          2HB       LEU  61  -0.839   2.317   9.190
  262    HG   LEU  61           HG       LEU  61  -1.434   4.687   8.849
  263   1HD1  LEU  61          1HD1      LEU  61  -2.472   4.648   6.669
  264   2HD1  LEU  61          2HD1      LEU  61  -3.685   3.475   7.214
  265   3HD1  LEU  61          3HD1      LEU  61  -3.721   5.148   7.819
  266   1HD2  LEU  61          1HD2      LEU  61  -3.727   2.921   9.791
  267   2HD2  LEU  61          2HD2      LEU  61  -2.331   3.441  10.762
  268   3HD2  LEU  61          3HD2      LEU  61  -3.502   4.641  10.184
  269    H    ASP  62           H        ASP  62   1.343   2.600   8.814
  270    HA   ASP  62           HA       ASP  62   1.970   5.369   8.837
  271   1HB   ASP  62          1HB       ASP  62   2.692   3.812  10.618
  272   2HB   ASP  62          2HB       ASP  62   3.840   3.057   9.495
  273    H    ILE  63           H        ILE  63   3.339   2.656   6.966
  274    HA   ILE  63           HA       ILE  63   5.426   4.206   5.719
  275    HB   ILE  63           HB       ILE  63   4.062   1.560   5.216
  276   1HG1  ILE  63          1HG1      ILE  63   7.028   2.123   5.326
  277   2HG1  ILE  63          2HG1      ILE  63   6.067   2.114   6.812
  278   1HG2  ILE  63          1HG2      ILE  63   4.215   2.202   2.950
  279   2HG2  ILE  63          2HG2      ILE  63   5.831   2.939   3.170
  280   3HG2  ILE  63          3HG2      ILE  63   5.620   1.189   3.261
  281   1HD1  ILE  63          1HD1      ILE  63   5.319  -0.164   6.421
  282   2HD1  ILE  63          2HD1      ILE  63   6.176  -0.233   4.871
  283   3HD1  ILE  63          3HD1      ILE  63   7.089  -0.091   6.380
  284    H    ILE  64           H        ILE  64   2.062   3.526   4.660
  285    HA   ILE  64           HA       ILE  64   2.275   4.894   2.153
  286    HB   ILE  64           HB       ILE  64  -0.077   4.420   4.018
  287   1HG1  ILE  64          1HG1      ILE  64   0.511   3.044   1.386
  288   2HG1  ILE  64          2HG1      ILE  64   1.307   2.479   2.857
  289   1HG2  ILE  64          1HG2      ILE  64  -0.023   5.467   1.157
  290   2HG2  ILE  64          2HG2      ILE  64  -1.480   4.834   1.949
  291   3HG2  ILE  64          3HG2      ILE  64  -0.695   6.276   2.586
  292   1HD1  ILE  64          1HD1      ILE  64  -0.853   2.168   3.984
  293   2HD1  ILE  64          2HD1      ILE  64  -1.700   2.708   2.528
  294   3HD1  ILE  64          3HD1      ILE  64  -0.724   1.223   2.492
  295    H    LEU  65           H        LEU  65   1.199   6.005   5.381
  296    HA   LEU  65           HA       LEU  65   0.649   8.687   4.607
  297   1HB   LEU  65          1HB       LEU  65   1.434   7.446   7.267
  298   2HB   LEU  65          2HB       LEU  65   0.910   9.122   7.093
  299    HG   LEU  65           HG       LEU  65  -0.898   6.776   6.290
  300   1HD1  LEU  65          1HD1      LEU  65  -1.992   7.123   8.462
  301   2HD1  LEU  65          2HD1      LEU  65  -0.287   6.708   8.738
  302   3HD1  LEU  65          3HD1      LEU  65  -0.823   8.391   8.888
  303   1HD2  LEU  65          1HD2      LEU  65  -1.400   9.728   6.812
  304   2HD2  LEU  65          2HD2      LEU  65  -1.420   8.849   5.267
  305   3HD2  LEU  65          3HD2      LEU  65  -2.637   8.483   6.505
  306    H    ASN  66           H        ASN  66   3.618   7.142   5.714
  307    HA   ASN  66           HA       ASN  66   5.076   9.677   6.052
  308   1HB   ASN  66          1HB       ASN  66   5.678   6.752   6.675
  309   2HB   ASN  66          2HB       ASN  66   6.903   7.970   6.762
  310   1HD2  ASN  66          1HD2      ASN  66   3.709   7.167   7.984
  311   2HD2  ASN  66          2HD2      ASN  66   4.082   7.527   9.629
  312    H    GLY  67           H        GLY  67   5.696   6.547   4.368
  313   1HA   GLY  67          1HA       GLY  67   6.583   6.843   1.979
  314   2HA   GLY  67          2HA       GLY  67   7.868   7.776   2.777
  315    H    GLN  68           H        GLN  68   9.002   5.925   1.632
  316    HA   GLN  68           HA       GLN  68  10.071   4.233   3.646
  317   1HB   GLN  68          1HB       GLN  68   8.382   2.484   2.652
  318   2HB   GLN  68          2HB       GLN  68   8.975   2.957   1.078
  319   1HG   GLN  68          1HG       GLN  68   9.765   0.829   1.951
  320   2HG   GLN  68          2HG       GLN  68  11.083   1.914   1.483
  321   1HE2  GLN  68          1HE2      GLN  68  10.484  -0.488   3.470
  322   2HE2  GLN  68          2HE2      GLN  68  11.399   0.044   4.869
  323    H    GLY  69           H        GLY  69  12.256   3.505   2.705
  324   1HA   GLY  69          1HA       GLY  69  14.127   4.872   1.843
  325   2HA   GLY  69          2HA       GLY  69  13.815   3.459   0.836
  326    H    GLY  70           H        GLY  70  13.048   3.784  -1.378
  327   1HA   GLY  70          1HA       GLY  70  13.209   6.558  -2.403
  328   2HA   GLY  70          2HA       GLY  70  13.272   5.038  -3.294
  329    H    MET  71           H        MET  71  10.799   5.766  -0.866
  330    HA   MET  71           HA       MET  71   8.695   5.870  -2.980
  331   1HB   MET  71          1HB       MET  71   8.654   3.918  -1.502
  332   2HB   MET  71          2HB       MET  71   8.613   4.942  -0.103
  333   1HG   MET  71          1HG       MET  71   6.479   5.797  -0.559
  334   2HG   MET  71          2HG       MET  71   6.386   5.045  -2.152
  335   1HE   MET  71          1HE       MET  71   4.724   4.956   1.001
  336   2HE   MET  71          2HE       MET  71   3.912   4.567  -0.539
  337   3HE   MET  71          3HE       MET  71   3.934   3.381   0.779
  338    HA   PRO  72           HA       PRO  72   8.697  10.091  -1.568
  339   1HB   PRO  72          1HB       PRO  72   6.328  11.044  -2.666
  340   2HB   PRO  72          2HB       PRO  72   7.840  10.767  -3.575
  341   1HG   PRO  72          1HG       PRO  72   5.472   8.913  -3.319
  342   2HG   PRO  72          2HG       PRO  72   6.353   9.363  -4.805
  343   1HD   PRO  72          1HD       PRO  72   6.891   7.041  -3.556
  344   2HD   PRO  72          2HD       PRO  72   8.246   8.039  -4.181
  345    H    GLY  73           H        GLY  73   5.709   8.237  -1.061
  346   1HA   GLY  73          1HA       GLY  73   4.608   7.888   0.957
  347   2HA   GLY  73          2HA       GLY  73   5.706   9.034   1.737
  348    H    GLY  74           H        GLY  74   2.983   8.931   2.253
  349   1HA   GLY  74          1HA       GLY  74   1.186  10.345   2.537
  350   2HA   GLY  74          2HA       GLY  74   2.158  11.676   1.854
  351    H    ILE  75           H        ILE  75   1.860   8.740   0.050
  352    HA   ILE  75           HA       ILE  75   0.770   9.991  -2.271
  353    HB   ILE  75           HB       ILE  75   1.137   7.110  -1.391
  354   1HG1  ILE  75          1HG1      ILE  75   2.798   8.264  -3.583
  355   2HG1  ILE  75          2HG1      ILE  75   3.095   8.993  -2.006
  356   1HG2  ILE  75          1HG2      ILE  75  -0.525   7.021  -3.139
  357   2HG2  ILE  75          2HG2      ILE  75   0.386   8.179  -4.138
  358   3HG2  ILE  75          3HG2      ILE  75   1.025   6.554  -3.846
  359   1HD1  ILE  75          1HD1      ILE  75   3.603   6.892  -0.990
  360   2HD1  ILE  75          2HD1      ILE  75   3.018   5.998  -2.398
  361   3HD1  ILE  75          3HD1      ILE  75   4.513   6.942  -2.518
  362    H    ALA  76           H        ALA  76  -0.648   8.376   0.533
  363    HA   ALA  76           HA       ALA  76  -3.286   9.288  -0.278
  364   1HB   ALA  76          1HB       ALA  76  -4.211   7.054   0.619
  365   2HB   ALA  76          2HB       ALA  76  -3.428   6.942  -0.975
  366   3HB   ALA  76          3HB       ALA  76  -2.577   6.404   0.488
  367    H    LYS  77           H        LYS  77  -4.485   9.858   1.735
  368    HA   LYS  77           HA       LYS  77  -3.177   9.206   4.238
  369   1HB   LYS  77          1HB       LYS  77  -3.659  12.079   3.324
  370   2HB   LYS  77          2HB       LYS  77  -3.300  11.558   4.960
  371   1HG   LYS  77          1HG       LYS  77  -1.090  10.544   3.933
  372   2HG   LYS  77          2HG       LYS  77  -1.479  11.576   2.552
  373   1HD   LYS  77          1HD       LYS  77  -1.667  13.492   4.221
  374   2HD   LYS  77          2HD       LYS  77  -1.011  12.434   5.466
  375   1HE   LYS  77          1HE       LYS  77   0.473  12.931   2.838
  376   2HE   LYS  77          2HE       LYS  77   0.518  14.117   4.132
  377   1HZ   LYS  77          1HZ       LYS  77   1.492  12.519   5.601
  378   2HZ   LYS  77          2HZ       LYS  77   1.558  11.348   4.463
  379   3HZ   LYS  77          3HZ       LYS  77   2.401  12.710   4.263
  380    H    GLY  78           H        GLY  78  -4.444   9.867   6.128
  381   1HA   GLY  78          1HA       GLY  78  -6.370   9.632   7.336
  382   2HA   GLY  78          2HA       GLY  78  -7.177  10.534   6.038
  383    H    ALA  79           H        ALA  79  -9.034   9.310   5.961
  384    HA   ALA  79           HA       ALA  79  -9.515   6.653   6.116
  385   1HB   ALA  79          1HB       ALA  79 -11.482   7.029   4.703
  386   2HB   ALA  79          2HB       ALA  79 -11.253   8.355   5.858
  387   3HB   ALA  79          3HB       ALA  79 -10.807   8.577   4.148
  388    H    GLU  80           H        GLU  80  -8.076   8.293   3.315
  389    HA   GLU  80           HA       GLU  80  -8.322   6.159   1.440
  390   1HB   GLU  80          1HB       GLU  80  -7.673   8.679   1.116
  391   2HB   GLU  80          2HB       GLU  80  -6.045   8.159   1.548
  392   1HG   GLU  80          1HG       GLU  80  -6.221   6.460  -0.351
  393   2HG   GLU  80          2HG       GLU  80  -7.745   7.230  -0.803
  394    H    ALA  81           H        ALA  81  -5.638   7.063   3.744
  395    HA   ALA  81           HA       ALA  81  -4.011   4.825   2.890
  396   1HB   ALA  81          1HB       ALA  81  -3.065   6.946   3.724
  397   2HB   ALA  81          2HB       ALA  81  -3.749   6.611   5.334
  398   3HB   ALA  81          3HB       ALA  81  -2.506   5.542   4.631
  399    H    GLU  82           H        GLU  82  -6.263   5.521   5.604
  400    HA   GLU  82           HA       GLU  82  -5.866   3.127   7.100
  401   1HB   GLU  82          1HB       GLU  82  -8.366   4.796   6.648
  402   2HB   GLU  82          2HB       GLU  82  -8.210   3.526   7.861
  403   1HG   GLU  82          1HG       GLU  82  -6.393   4.716   8.976
  404   2HG   GLU  82          2HG       GLU  82  -6.401   5.986   7.746
  405    H    ALA  83           H        ALA  83  -8.199   3.818   4.463
  406    HA   ALA  83           HA       ALA  83  -9.318   1.258   4.237
  407   1HB   ALA  83          1HB       ALA  83  -9.924   1.929   1.947
  408   2HB   ALA  83          2HB       ALA  83 -10.244   3.225   3.107
  409   3HB   ALA  83          3HB       ALA  83  -8.826   3.317   2.037
  410    H    VAL  84           H        VAL  84  -6.493   2.641   2.415
  411    HA   VAL  84           HA       VAL  84  -5.786   0.300   1.048
  412    HB   VAL  84           HB       VAL  84  -3.913   2.380   2.246
  413   1HG1  VAL  84          1HG1      VAL  84  -3.399   0.068   0.323
  414   2HG1  VAL  84          2HG1      VAL  84  -2.268   1.397   0.614
  415   3HG1  VAL  84          3HG1      VAL  84  -2.654   0.271   1.909
  416   1HG2  VAL  84          1HG2      VAL  84  -4.904   1.947  -0.592
  417   2HG2  VAL  84          2HG2      VAL  84  -5.247   3.346   0.434
  418   3HG2  VAL  84          3HG2      VAL  84  -3.587   3.043  -0.121
  419    H    ALA  85           H        ALA  85  -4.503   1.359   4.252
  420    HA   ALA  85           HA       ALA  85  -2.796  -0.780   4.698
  421   1HB   ALA  85          1HB       ALA  85  -2.949  -0.157   7.054
  422   2HB   ALA  85          2HB       ALA  85  -2.851   1.274   6.005
  423   3HB   ALA  85          3HB       ALA  85  -4.402   0.812   6.743
  424    H    ALA  86           H        ALA  86  -6.221  -0.527   5.832
  425    HA   ALA  86           HA       ALA  86  -6.316  -3.082   7.075
  426   1HB   ALA  86          1HB       ALA  86  -8.015  -1.359   7.418
  427   2HB   ALA  86          2HB       ALA  86  -8.536  -1.485   5.723
  428   3HB   ALA  86          3HB       ALA  86  -8.767  -2.858   6.834
  429    H    TRP  87           H        TRP  87  -7.375  -2.130   3.777
  430    HA   TRP  87           HA       TRP  87  -8.115  -4.692   2.822
  431   1HB   TRP  87          1HB       TRP  87  -8.769  -2.754   1.657
  432   2HB   TRP  87          2HB       TRP  87  -7.105  -2.146   1.636
  433    HD1  TRP  87           HD       TRP  87  -9.211  -4.682  -0.331
  434    HE1  TRP  87           1HE      TRP  87  -7.861  -5.422  -2.373
  435    HE3  TRP  87           3HE      TRP  87  -5.146  -1.716   0.343
  436    HZ2  TRP  87           2HZ      TRP  87  -4.979  -4.980  -3.300
  437    HZ3  TRP  87           3HZ      TRP  87  -3.264  -1.787  -1.230
  438    HH2  TRP  87           HH       TRP  87  -3.364  -3.268  -3.232
  439    H    LEU  88           H        LEU  88  -4.933  -3.085   2.861
  440    HA   LEU  88           HA       LEU  88  -3.720  -5.216   1.338
  441   1HB   LEU  88          1HB       LEU  88  -3.158  -2.627   1.489
  442   2HB   LEU  88          2HB       LEU  88  -2.052  -3.175   2.708
  443    HG   LEU  88           HG       LEU  88  -1.264  -2.838   0.342
  444   1HD1  LEU  88          1HD1      LEU  88  -0.223  -4.356   2.099
  445   2HD1  LEU  88          2HD1      LEU  88  -0.874  -5.715   1.124
  446   3HD1  LEU  88          3HD1      LEU  88   0.226  -4.528   0.374
  447   1HD2  LEU  88          1HD2      LEU  88  -1.853  -5.502  -0.730
  448   2HD2  LEU  88          2HD2      LEU  88  -3.305  -4.545  -0.584
  449   3HD2  LEU  88          3HD2      LEU  88  -1.882  -3.930  -1.477
  450    H    ALA  89           H        ALA  89  -4.051  -4.489   4.715
  451    HA   ALA  89           HA       ALA  89  -2.342  -6.612   5.681
  452   1HB   ALA  89          1HB       ALA  89  -2.949  -4.826   7.116
  453   2HB   ALA  89          2HB       ALA  89  -4.686  -5.230   6.996
  454   3HB   ALA  89          3HB       ALA  89  -3.557  -6.352   7.785
  455    H    GLU  90           H        GLU  90  -5.659  -6.403   4.479
  456    HA   GLU  90           HA       GLU  90  -6.319  -9.181   5.015
  457   1HB   GLU  90          1HB       GLU  90  -8.016  -7.549   4.861
  458   2HB   GLU  90          2HB       GLU  90  -7.559  -7.023   3.268
  459   1HG   GLU  90          1HG       GLU  90  -8.354  -9.912   3.569
  460   2HG   GLU  90          2HG       GLU  90  -9.592  -8.657   3.636
  461    H    LYS  91           H        LYS  91  -4.683  -7.459   2.431
  462    HA   LYS  91           HA       LYS  91  -5.258  -9.090   0.488
  463   1HB   LYS  91          1HB       LYS  91  -4.497  -6.809   0.292
  464   2HB   LYS  91          2HB       LYS  91  -2.811  -7.345   0.430
  465   1HG   LYS  91          1HG       LYS  91  -3.512  -6.806  -1.862
  466   2HG   LYS  91          2HG       LYS  91  -3.080  -8.496  -1.801
  467   1HD   LYS  91          1HD       LYS  91  -5.926  -7.429  -1.498
  468   2HD   LYS  91          2HD       LYS  91  -5.225  -7.826  -3.066
  469   1HE   LYS  91          1HE       LYS  91  -5.583 -10.038  -2.847
  470   2HE   LYS  91          2HE       LYS  91  -4.925 -10.129  -1.239
  471   1HZ   LYS  91          1HZ       LYS  91  -7.685  -9.254  -1.893
  472   2HZ   LYS  91          2HZ       LYS  91  -7.243 -10.673  -1.185
  473   3HZ   LYS  91          3HZ       LYS  91  -7.068  -9.268  -0.386
  474    H    LYS  92           H        LYS  92  -3.976 -10.834   2.483
  475    HA   LYS  92           HA       LYS  92  -1.229 -11.338   1.453
  476   1HB   LYS  92          1HB       LYS  92  -0.734 -11.633   3.625
  477   2HB   LYS  92          2HB       LYS  92  -1.812 -10.223   3.409
  478   1HG   LYS  92          1HG       LYS  92  -3.733 -11.595   4.286
  479   2HG   LYS  92          2HG       LYS  92  -2.646 -12.974   4.530
  480   1HD   LYS  92          1HD       LYS  92  -1.320 -11.733   6.137
  481   2HD   LYS  92          2HD       LYS  92  -2.094 -10.230   5.615
  482   1HE   LYS  92          1HE       LYS  92  -4.289 -11.275   6.563
  483   2HE   LYS  92          2HE       LYS  92  -3.176 -12.291   7.501
  484   1HZ   LYS  92          1HZ       LYS  92  -2.084 -10.118   8.118
  485   2HZ   LYS  92          2HZ       LYS  92  -3.320  -9.366   7.331
  486   3HZ   LYS  92          3HZ       LYS  92  -3.642 -10.253   8.688
  487    HHA  HEC  93           HHA      HEC  93   8.582  -0.118   0.396
  488    HHB  HEC  93           HHB      HEC  93   2.145   0.094   0.666
  489    HHC  HEC  93           HHC      HEC  93   2.348   4.382  -4.133
  490    HHD  HEC  93           HHD      HEC  93   8.587   3.286  -4.954
  491   1HMA  HEC  93          1HMA      HEC  93   3.059  -1.790   1.962
  492   2HMA  HEC  93          2HMA      HEC  93   4.517  -2.195   2.872
  493   3HMA  HEC  93          3HMA      HEC  93   3.644  -0.692   3.238
  494   1HAA  HEC  93          1HAA      HEC  93   6.784  -1.772   3.094
  495   2HAA  HEC  93          2HAA      HEC  93   7.879  -0.545   2.576
  496   1HBA  HEC  93          1HBA      HEC  93   7.960  -2.087   0.419
  497   2HBA  HEC  93          2HBA      HEC  93   7.350  -3.332   1.504
  498   1HMB  HEC  93          1HMB      HEC  93   0.000   1.013   0.336
  499   2HMB  HEC  93          2HMB      HEC  93  -0.890   1.421  -1.142
  500   3HMB  HEC  93          3HMB      HEC  93   0.107  -0.029  -1.091
  501    HAB  HEC  93           HAB      HEC  93   0.428   4.367  -3.368
  502   1HBB  HEC  93          1HBB      HEC  93  -0.136   5.062  -1.140
  503   2HBB  HEC  93          2HBB      HEC  93  -1.607   4.746  -2.077
  504   3HBB  HEC  93          3HBB      HEC  93  -1.071   3.590  -0.847
  505   1HMC  HEC  93          1HMC      HEC  93   3.086   4.780  -6.516
  506   2HMC  HEC  93          2HMC      HEC  93   3.335   6.193  -5.470
  507   3HMC  HEC  93          3HMC      HEC  93   4.355   5.943  -6.895
  508    HAC  HEC  93           HAC      HEC  93   7.946   4.431  -6.584
  509   1HBC  HEC  93          1HBC      HEC  93   7.917   6.643  -5.895
  510   2HBC  HEC  93          2HBC      HEC  93   7.578   6.666  -7.627
  511   3HBC  HEC  93          3HBC      HEC  93   6.264   6.940  -6.462
  512   1HMD  HEC  93          1HMD      HEC  93  10.199   1.799  -5.047
  513   2HMD  HEC  93          2HMD      HEC  93  11.255   2.650  -3.890
  514   3HMD  HEC  93          3HMD      HEC  93  11.268   0.871  -4.005
  515   1HAD  HEC  93          1HAD      HEC  93  10.933  -0.566  -1.240
  516   2HAD  HEC  93          2HAD      HEC  93  10.489   0.403   0.024
  517   1HBD  HEC  93          1HBD      HEC  93  12.593   1.039  -0.008
  518   2HBD  HEC  93          2HBD      HEC  93  11.694   2.381  -0.681
  Start of MODEL    8
    1   1H    VAL  22          1H        VAL  22 -14.450   4.372  -0.160
    2   2H    VAL  22          2H        VAL  22 -13.426   4.530   1.123
    3   3H    VAL  22          3H        VAL  22 -14.185   5.885   0.497
    4    HA   VAL  22           HA       VAL  22 -13.076   5.474  -1.591
    5    HB   VAL  22           HB       VAL  22 -11.146   5.708   0.767
    6   1HG1  VAL  22          1HG1      VAL  22  -9.698   5.294  -0.954
    7   2HG1  VAL  22          2HG1      VAL  22 -10.816   5.815  -2.229
    8   3HG1  VAL  22          3HG1      VAL  22  -9.957   7.020  -1.274
    9   1HG2  VAL  22          1HG2      VAL  22 -12.492   7.843  -0.952
   10   2HG2  VAL  22          2HG2      VAL  22 -12.836   7.519   0.766
   11   3HG2  VAL  22          3HG2      VAL  22 -11.251   8.126   0.286
   12    H    ASP  23           H        ASP  23 -12.820   3.733  -2.730
   13    HA   ASP  23           HA       ASP  23 -12.663   1.131  -1.643
   14   1HB   ASP  23          1HB       ASP  23 -12.445   2.240  -4.469
   15   2HB   ASP  23          2HB       ASP  23 -12.367   0.508  -4.121
   16    H    ALA  24           H        ALA  24 -10.927   0.661  -0.529
   17    HA   ALA  24           HA       ALA  24  -8.405   1.530  -0.642
   18   1HB   ALA  24          1HB       ALA  24  -9.287  -1.309  -0.059
   19   2HB   ALA  24          2HB       ALA  24  -7.757  -0.544   0.449
   20   3HB   ALA  24          3HB       ALA  24  -9.307   0.036   1.091
   21    H    GLU  25           H        GLU  25  -9.548  -1.377  -2.447
   22    HA   GLU  25           HA       GLU  25  -7.018  -1.815  -3.667
   23   1HB   GLU  25          1HB       GLU  25  -7.916  -3.539  -4.790
   24   2HB   GLU  25          2HB       GLU  25  -9.140  -3.392  -3.522
   25   1HG   GLU  25          1HG       GLU  25 -10.564  -2.112  -5.040
   26   2HG   GLU  25          2HG       GLU  25  -9.345  -2.317  -6.357
   27    H    ALA  26           H        ALA  26  -9.832   0.184  -4.685
   28    HA   ALA  26           HA       ALA  26  -8.818   0.805  -7.270
   29   1HB   ALA  26          1HB       ALA  26 -10.384   2.606  -7.323
   30   2HB   ALA  26          2HB       ALA  26 -11.172   1.239  -6.509
   31   3HB   ALA  26          3HB       ALA  26 -10.545   2.620  -5.566
   32    H    VAL  27           H        VAL  27  -8.293   2.334  -4.071
   33    HA   VAL  27           HA       VAL  27  -6.520   4.467  -4.944
   34    HB   VAL  27           HB       VAL  27  -6.193   2.787  -2.413
   35   1HG1  VAL  27          1HG1      VAL  27  -5.348   5.633  -3.045
   36   2HG1  VAL  27          2HG1      VAL  27  -5.042   4.734  -1.549
   37   3HG1  VAL  27          3HG1      VAL  27  -4.254   4.233  -3.044
   38   1HG2  VAL  27          1HG2      VAL  27  -8.469   3.699  -2.402
   39   2HG2  VAL  27          2HG2      VAL  27  -7.442   4.566  -1.262
   40   3HG2  VAL  27          3HG2      VAL  27  -7.845   5.306  -2.831
   41    H    VAL  28           H        VAL  28  -5.661   0.991  -3.920
   42    HA   VAL  28           HA       VAL  28  -3.032   1.776  -4.585
   43    HB   VAL  28           HB       VAL  28  -4.459  -0.756  -3.865
   44   1HG1  VAL  28          1HG1      VAL  28  -2.051  -1.660  -3.286
   45   2HG1  VAL  28          2HG1      VAL  28  -2.742  -1.793  -4.914
   46   3HG1  VAL  28          3HG1      VAL  28  -1.581  -0.536  -4.560
   47   1HG2  VAL  28          1HG2      VAL  28  -2.645   0.022  -1.826
   48   2HG2  VAL  28          2HG2      VAL  28  -3.291   1.546  -2.426
   49   3HG2  VAL  28          3HG2      VAL  28  -4.398   0.308  -1.887
   50    H    GLN  29           H        GLN  29  -5.348  -0.047  -6.341
   51    HA   GLN  29           HA       GLN  29  -3.920  -0.622  -8.736
   52   1HB   GLN  29          1HB       GLN  29  -6.839  -0.402  -7.990
   53   2HB   GLN  29          2HB       GLN  29  -6.380  -0.825  -9.591
   54   1HG   GLN  29          1HG       GLN  29  -6.880  -2.685  -7.790
   55   2HG   GLN  29          2HG       GLN  29  -5.746  -2.927  -9.117
   56   1HE2  GLN  29          1HE2      GLN  29  -3.525  -3.454  -8.625
   57   2HE2  GLN  29          2HE2      GLN  29  -2.963  -3.452  -6.992
   58    H    GLN  30           H        GLN  30  -4.676   2.482  -7.553
   59    HA   GLN  30           HA       GLN  30  -3.977   3.421 -10.302
   60   1HB   GLN  30          1HB       GLN  30  -6.354   4.057  -9.044
   61   2HB   GLN  30          2HB       GLN  30  -5.323   5.411  -8.566
   62   1HG   GLN  30          1HG       GLN  30  -4.650   5.612 -11.035
   63   2HG   GLN  30          2HG       GLN  30  -5.908   4.418 -11.396
   64   1HE2  GLN  30          1HE2      GLN  30  -7.986   5.283  -9.659
   65   2HE2  GLN  30          2HE2      GLN  30  -8.491   6.877 -10.200
   66    H    LYS  31           H        LYS  31  -3.184   3.568  -6.898
   67    HA   LYS  31           HA       LYS  31  -1.341   5.854  -7.361
   68   1HB   LYS  31          1HB       LYS  31  -3.387   5.184  -5.325
   69   2HB   LYS  31          2HB       LYS  31  -1.897   5.719  -4.639
   70   1HG   LYS  31          1HG       LYS  31  -1.970   7.762  -6.032
   71   2HG   LYS  31          2HG       LYS  31  -3.443   7.169  -6.835
   72   1HD   LYS  31          1HD       LYS  31  -4.652   7.176  -4.678
   73   2HD   LYS  31          2HD       LYS  31  -3.170   7.654  -3.835
   74   1HE   LYS  31          1HE       LYS  31  -3.176   9.773  -5.297
   75   2HE   LYS  31          2HE       LYS  31  -4.801   9.287  -5.821
   76   1HZ   LYS  31          1HZ       LYS  31  -3.937   9.818  -3.038
   77   2HZ   LYS  31          2HZ       LYS  31  -4.938  10.779  -3.947
   78   3HZ   LYS  31          3HZ       LYS  31  -5.426   9.292  -3.458
   79    H    CYS  32           H        CYS  32  -1.294   2.465  -6.461
   80    HA   CYS  32           HA       CYS  32   1.544   2.863  -5.561
   81   1HB   CYS  32          1HB       CYS  32   0.172   0.316  -5.062
   82   2HB   CYS  32          2HB       CYS  32   1.417   1.074  -4.133
   83    H    ILE  33           H        ILE  33  -0.647   0.877  -7.577
   84    HA   ILE  33           HA       ILE  33   1.215  -0.882  -8.606
   85    HB   ILE  33           HB       ILE  33  -0.129  -0.984 -10.642
   86   1HG1  ILE  33          1HG1      ILE  33  -1.983   1.140  -9.520
   87   2HG1  ILE  33          2HG1      ILE  33  -0.725   1.531 -10.690
   88   1HG2  ILE  33          1HG2      ILE  33  -1.776  -0.925  -8.086
   89   2HG2  ILE  33          2HG2      ILE  33  -2.173  -1.813  -9.569
   90   3HG2  ILE  33          3HG2      ILE  33  -0.757  -2.243  -8.615
   91   1HD1  ILE  33          1HD1      ILE  33  -2.754   1.170 -11.898
   92   2HD1  ILE  33          2HD1      ILE  33  -1.601  -0.113 -12.292
   93   3HD1  ILE  33          3HD1      ILE  33  -2.961  -0.448 -11.199
   94    H    SER  34           H        SER  34   0.906   2.509  -9.330
   95    HA   SER  34           HA       SER  34   2.321   2.853 -11.654
   96   1HB   SER  34          1HB       SER  34   1.215   4.636 -10.231
   97   2HB   SER  34          2HB       SER  34   2.650   4.601  -9.183
   98    HG   SER  34           HG       SER  34   3.816   4.958 -11.289
   99    H    CYS  35           H        CYS  35   3.661   1.866  -8.514
  100    HA   CYS  35           HA       CYS  35   6.318   1.583  -9.844
  101   1HB   CYS  35          1HB       CYS  35   6.134   2.084  -6.865
  102   2HB   CYS  35          2HB       CYS  35   7.506   2.207  -7.939
  103    H    HIS  36           H        HIS  36   4.027   0.319  -7.368
  104    HA   HIS  36           HA       HIS  36   5.586  -2.086  -6.973
  105   1HB   HIS  36          1HB       HIS  36   2.786  -1.300  -6.101
  106   2HB   HIS  36          2HB       HIS  36   3.592  -2.803  -5.671
  107    HD1  HIS  36           1HD      HIS  36   5.780  -2.689  -4.081
  108    HD2  HIS  36           2HD      HIS  36   3.667   0.922  -4.691
  109    HE1  HIS  36           1HE      HIS  36   6.502  -1.078  -2.247
  110    H    GLY  37           H        GLY  37   3.505  -1.216  -9.569
  111   1HA   GLY  37          1HA       GLY  37   3.151  -2.466 -11.459
  112   2HA   GLY  37          2HA       GLY  37   3.696  -3.945 -10.651
  113    H    GLY  38           H        GLY  38   1.302  -3.625 -12.276
  114   1HA   GLY  38          1HA       GLY  38  -1.127  -3.067 -11.266
  115   2HA   GLY  38          2HA       GLY  38  -0.830  -4.475 -12.282
  116    H    ASP  39           H        ASP  39   0.168  -6.395 -11.007
  117    HA   ASP  39           HA       ASP  39  -1.686  -7.286  -9.085
  118   1HB   ASP  39          1HB       ASP  39   0.996  -8.456  -9.926
  119   2HB   ASP  39          2HB       ASP  39  -0.358  -9.337  -9.202
  120    H    LEU  40           H        LEU  40   0.937  -5.249  -8.531
  121    HA   LEU  40           HA       LEU  40   2.070  -4.538  -6.753
  122   1HB   LEU  40          1HB       LEU  40   0.258  -6.228  -5.020
  123   2HB   LEU  40          2HB       LEU  40   1.192  -4.823  -4.539
  124    HG   LEU  40           HG       LEU  40  -0.886  -4.542  -6.747
  125   1HD1  LEU  40          1HD1      LEU  40  -2.000  -5.704  -4.901
  126   2HD1  LEU  40          2HD1      LEU  40  -1.461  -4.442  -3.770
  127   3HD1  LEU  40          3HD1      LEU  40  -2.581  -4.055  -5.097
  128   1HD2  LEU  40          1HD2      LEU  40  -0.917  -2.270  -6.134
  129   2HD2  LEU  40          2HD2      LEU  40   0.036  -2.565  -4.664
  130   3HD2  LEU  40          3HD2      LEU  40   0.778  -2.721  -6.269
  131    H    THR  41           H        THR  41   2.708  -7.095  -8.161
  132    HA   THR  41           HA       THR  41   4.163  -8.810  -6.385
  133    HB   THR  41           HB       THR  41   4.978  -9.548  -8.768
  134    HG1  THR  41           1HG      THR  41   4.492  -7.682  -9.904
  135   1HG2  THR  41          1HG2      THR  41   3.210 -10.763  -7.602
  136   2HG2  THR  41          2HG2      THR  41   2.012  -9.529  -8.032
  137   3HG2  THR  41          3HG2      THR  41   2.740 -10.536  -9.299
  138    H    GLY  42           H        GLY  42   4.812  -5.629  -7.588
  139   1HA   GLY  42          1HA       GLY  42   6.597  -4.428  -6.833
  140   2HA   GLY  42          2HA       GLY  42   7.571  -5.884  -6.589
  141    H    ALA  43           H        ALA  43   6.797  -3.330  -8.798
  142    HA   ALA  43           HA       ALA  43   8.401  -4.589 -10.992
  143   1HB   ALA  43          1HB       ALA  43   7.485  -2.747 -12.376
  144   2HB   ALA  43          2HB       ALA  43   6.248  -3.841 -11.726
  145   3HB   ALA  43          3HB       ALA  43   6.469  -2.239 -11.010
  146    H    SER  44           H        SER  44   7.976  -1.201  -9.937
  147    HA   SER  44           HA       SER  44  10.909  -0.756 -10.022
  148   1HB   SER  44          1HB       SER  44   8.639   1.239  -9.725
  149   2HB   SER  44          2HB       SER  44  10.333   1.583 -10.099
  150    HG   SER  44           HG       SER  44   9.967   0.227 -12.023
  151    H    ALA  45           H        ALA  45   8.842  -1.910  -7.785
  152    HA   ALA  45           HA       ALA  45  10.180  -0.773  -5.423
  153   1HB   ALA  45          1HB       ALA  45   7.973  -0.320  -4.405
  154   2HB   ALA  45          2HB       ALA  45   8.149   0.641  -5.879
  155   3HB   ALA  45          3HB       ALA  45   7.162  -0.823  -5.899
  156    HA   PRO  46           HA       PRO  46   9.899  -5.099  -4.527
  157   1HB   PRO  46          1HB       PRO  46   9.403  -5.281  -1.814
  158   2HB   PRO  46          2HB       PRO  46  10.962  -4.741  -2.502
  159   1HG   PRO  46          1HG       PRO  46   8.651  -3.018  -1.592
  160   2HG   PRO  46          2HG       PRO  46  10.370  -2.877  -1.108
  161   1HD   PRO  46          1HD       PRO  46   9.356  -1.332  -3.074
  162   2HD   PRO  46          2HD       PRO  46  10.967  -2.068  -3.306
  163    H    ALA  47           H        ALA  47   8.468  -6.848  -3.744
  164    HA   ALA  47           HA       ALA  47   5.791  -6.518  -4.680
  165   1HB   ALA  47          1HB       ALA  47   5.525  -8.849  -4.022
  166   2HB   ALA  47          2HB       ALA  47   7.142  -8.667  -4.734
  167   3HB   ALA  47          3HB       ALA  47   6.960  -8.773  -2.979
  168    H    ILE  48           H        ILE  48   4.086  -5.690  -3.567
  169    HA   ILE  48           HA       ILE  48   4.121  -5.960  -0.602
  170    HB   ILE  48           HB       ILE  48   3.131  -3.838  -0.197
  171   1HG1  ILE  48          1HG1      ILE  48   3.278  -2.034  -1.945
  172   2HG1  ILE  48          2HG1      ILE  48   3.338  -3.307  -3.161
  173   1HG2  ILE  48          1HG2      ILE  48   5.587  -4.140  -0.190
  174   2HG2  ILE  48          2HG2      ILE  48   5.641  -3.579  -1.873
  175   3HG2  ILE  48          3HG2      ILE  48   5.102  -2.486  -0.592
  176   1HD1  ILE  48          1HD1      ILE  48   1.061  -2.273  -2.704
  177   2HD1  ILE  48          2HD1      ILE  48   1.041  -4.022  -2.403
  178   3HD1  ILE  48          3HD1      ILE  48   1.144  -2.877  -1.049
  179    H    ASP  49           H        ASP  49   2.651  -7.083  -3.320
  180    HA   ASP  49           HA       ASP  49  -0.027  -7.343  -2.573
  181   1HB   ASP  49          1HB       ASP  49  -0.035  -9.368  -3.793
  182   2HB   ASP  49          2HB       ASP  49   1.149  -8.350  -4.610
  183    H    LYS  50           H        LYS  50   2.826  -8.991  -1.294
  184    HA   LYS  50           HA       LYS  50   1.237 -10.350   0.811
  185   1HB   LYS  50          1HB       LYS  50   4.098 -10.694  -0.150
  186   2HB   LYS  50          2HB       LYS  50   3.450 -11.572   1.242
  187   1HG   LYS  50          1HG       LYS  50   2.184 -11.651  -1.495
  188   2HG   LYS  50          2HG       LYS  50   3.414 -12.802  -0.981
  189   1HD   LYS  50          1HD       LYS  50   1.962 -13.775   0.680
  190   2HD   LYS  50          2HD       LYS  50   0.858 -12.415   0.668
  191   1HE   LYS  50          1HE       LYS  50  -0.227 -14.181  -0.493
  192   2HE   LYS  50          2HE       LYS  50   0.146 -12.880  -1.630
  193   1HZ   LYS  50          1HZ       LYS  50   2.024 -14.147  -2.379
  194   2HZ   LYS  50          2HZ       LYS  50   1.696 -15.358  -1.293
  195   3HZ   LYS  50          3HZ       LYS  50   0.645 -15.034  -2.520
  196    H    ALA  51           H        ALA  51   2.362  -7.348   0.670
  197    HA   ALA  51           HA       ALA  51   3.918  -7.019   3.032
  198   1HB   ALA  51          1HB       ALA  51   3.593  -5.257   1.450
  199   2HB   ALA  51          2HB       ALA  51   1.834  -5.270   1.723
  200   3HB   ALA  51          3HB       ALA  51   2.904  -4.724   3.008
  201    H    GLY  52           H        GLY  52   0.345  -7.512   2.557
  202   1HA   GLY  52          1HA       GLY  52  -0.363  -7.039   5.250
  203   2HA   GLY  52          2HA       GLY  52  -1.214  -8.100   4.103
  204    H    ALA  53           H        ALA  53   1.188  -9.869   3.750
  205    HA   ALA  53           HA       ALA  53   0.753 -11.585   6.098
  206   1HB   ALA  53          1HB       ALA  53   0.922 -12.557   3.810
  207   2HB   ALA  53          2HB       ALA  53   2.597 -11.979   3.705
  208   3HB   ALA  53          3HB       ALA  53   2.149 -13.179   4.926
  209    H    ASN  54           H        ASN  54   3.418  -9.757   4.583
  210    HA   ASN  54           HA       ASN  54   5.384 -10.628   6.522
  211   1HB   ASN  54          1HB       ASN  54   5.437  -8.333   4.518
  212   2HB   ASN  54          2HB       ASN  54   6.828  -8.910   5.444
  213   1HD2  ASN  54          1HD2      ASN  54   6.021  -8.923   2.411
  214   2HD2  ASN  54          2HD2      ASN  54   6.428 -10.567   1.955
  215    H    TYR  55           H        TYR  55   3.460  -7.694   6.140
  216    HA   TYR  55           HA       TYR  55   4.503  -6.507   8.684
  217   1HB   TYR  55          1HB       TYR  55   3.311  -4.902   6.440
  218   2HB   TYR  55          2HB       TYR  55   4.367  -4.383   7.750
  219    HD1  TYR  55           1HD      TYR  55   4.436  -4.136   4.515
  220    HD2  TYR  55           2HD      TYR  55   6.678  -6.240   7.526
  221    HE1  TYR  55           1HE      TYR  55   6.241  -4.563   2.866
  222    HE2  TYR  55           2HE      TYR  55   8.493  -6.645   5.884
  223    HH   TYR  55           HH       TYR  55   8.794  -5.158   2.895
  224    H    SER  56           H        SER  56   2.572  -4.740   9.255
  225    HA   SER  56           HA       SER  56  -0.057  -6.138   8.924
  226   1HB   SER  56          1HB       SER  56   0.891  -6.602  11.180
  227   2HB   SER  56          2HB       SER  56   0.902  -4.858  11.503
  228    HG   SER  56           HG       SER  56  -1.174  -4.930  11.795
  229    H    GLU  57           H        GLU  57  -1.840  -4.547   9.703
  230    HA   GLU  57           HA       GLU  57  -1.873  -2.622   7.622
  231   1HB   GLU  57          1HB       GLU  57  -3.982  -1.798   8.591
  232   2HB   GLU  57          2HB       GLU  57  -3.985  -3.524   8.300
  233   1HG   GLU  57          1HG       GLU  57  -3.763  -3.980  10.685
  234   2HG   GLU  57          2HG       GLU  57  -3.502  -2.262  11.037
  235    H    GLU  58           H        GLU  58  -1.220  -2.204  11.146
  236    HA   GLU  58           HA       GLU  58  -1.019   0.594  11.154
  237   1HB   GLU  58          1HB       GLU  58   0.535   0.281  13.065
  238   2HB   GLU  58          2HB       GLU  58  -1.024  -0.524  13.228
  239   1HG   GLU  58          1HG       GLU  58   1.362  -2.150  12.281
  240   2HG   GLU  58          2HG       GLU  58   1.200  -1.698  13.967
  241    H    GLU  59           H        GLU  59   1.505  -1.799  10.287
  242    HA   GLU  59           HA       GLU  59   3.592   0.143   9.951
  243   1HB   GLU  59          1HB       GLU  59   3.325  -2.627   8.700
  244   2HB   GLU  59          2HB       GLU  59   4.804  -1.694   8.900
  245   1HG   GLU  59          1HG       GLU  59   3.947  -1.736  11.499
  246   2HG   GLU  59          2HG       GLU  59   3.247  -3.259  10.926
  247    H    ILE  60           H        ILE  60   1.387  -1.530   7.698
  248    HA   ILE  60           HA       ILE  60   2.501  -0.402   5.311
  249    HB   ILE  60           HB       ILE  60  -0.269  -1.478   5.881
  250   1HG1  ILE  60          1HG1      ILE  60   2.067  -2.853   4.499
  251   2HG1  ILE  60          2HG1      ILE  60   1.746  -3.012   6.227
  252   1HG2  ILE  60          1HG2      ILE  60  -0.668  -0.391   3.922
  253   2HG2  ILE  60          2HG2      ILE  60   1.004  -0.519   3.333
  254   3HG2  ILE  60          3HG2      ILE  60  -0.081  -1.915   3.258
  255   1HD1  ILE  60          1HD1      ILE  60  -0.615  -3.810   5.592
  256   2HD1  ILE  60          2HD1      ILE  60   0.084  -4.067   3.972
  257   3HD1  ILE  60          3HD1      ILE  60   0.761  -4.901   5.373
  258    H    LEU  61           H        LEU  61  -0.245   0.565   7.367
  259    HA   LEU  61           HA       LEU  61  -1.112   2.885   6.077
  260   1HB   LEU  61          1HB       LEU  61  -2.083   1.783   8.166
  261   2HB   LEU  61          2HB       LEU  61  -0.784   2.485   9.092
  262    HG   LEU  61           HG       LEU  61  -1.542   4.779   8.224
  263   1HD1  LEU  61          1HD1      LEU  61  -4.002   3.140   7.537
  264   2HD1  LEU  61          2HD1      LEU  61  -3.912   4.918   7.518
  265   3HD1  LEU  61          3HD1      LEU  61  -2.966   3.967   6.363
  266   1HD2  LEU  61          1HD2      LEU  61  -3.404   3.159  10.002
  267   2HD2  LEU  61          2HD2      LEU  61  -1.946   4.036  10.521
  268   3HD2  LEU  61          3HD2      LEU  61  -3.346   4.933   9.903
  269    H    ASP  62           H        ASP  62   1.385   2.507   8.645
  270    HA   ASP  62           HA       ASP  62   2.093   5.219   8.760
  271   1HB   ASP  62          1HB       ASP  62   2.825   3.449  10.388
  272   2HB   ASP  62          2HB       ASP  62   3.999   2.881   9.191
  273    H    ILE  63           H        ILE  63   3.347   2.589   6.690
  274    HA   ILE  63           HA       ILE  63   5.363   4.228   5.440
  275    HB   ILE  63           HB       ILE  63   4.066   1.570   4.807
  276   1HG1  ILE  63          1HG1      ILE  63   6.605   1.072   4.318
  277   2HG1  ILE  63          2HG1      ILE  63   6.911   2.595   5.146
  278   1HG2  ILE  63          1HG2      ILE  63   3.849   2.420   2.637
  279   2HG2  ILE  63          2HG2      ILE  63   5.442   3.255   2.695
  280   3HG2  ILE  63          3HG2      ILE  63   5.343   1.510   2.632
  281   1HD1  ILE  63          1HD1      ILE  63   7.069   0.609   6.621
  282   2HD1  ILE  63          2HD1      ILE  63   5.747   1.667   7.152
  283   3HD1  ILE  63          3HD1      ILE  63   5.397   0.175   6.236
  284    H    ILE  64           H        ILE  64   1.961   3.541   4.481
  285    HA   ILE  64           HA       ILE  64   2.105   4.952   2.015
  286    HB   ILE  64           HB       ILE  64  -0.201   4.433   3.922
  287   1HG1  ILE  64          1HG1      ILE  64   0.283   3.087   1.257
  288   2HG1  ILE  64          2HG1      ILE  64   1.210   2.538   2.653
  289   1HG2  ILE  64          1HG2      ILE  64  -0.895   6.280   2.522
  290   2HG2  ILE  64          2HG2      ILE  64  -0.258   5.490   1.065
  291   3HG2  ILE  64          3HG2      ILE  64  -1.670   4.821   1.909
  292   1HD1  ILE  64          1HD1      ILE  64  -0.805   1.223   2.446
  293   2HD1  ILE  64          2HD1      ILE  64  -0.865   2.159   3.939
  294   3HD1  ILE  64          3HD1      ILE  64  -1.810   2.686   2.546
  295    H    LEU  65           H        LEU  65   1.158   6.059   5.266
  296    HA   LEU  65           HA       LEU  65   0.642   8.779   4.487
  297   1HB   LEU  65          1HB       LEU  65   1.341   7.488   7.143
  298   2HB   LEU  65          2HB       LEU  65   0.817   9.167   6.965
  299    HG   LEU  65           HG       LEU  65  -0.939   6.797   6.103
  300   1HD1  LEU  65          1HD1      LEU  65  -0.425   6.767   8.568
  301   2HD1  LEU  65          2HD1      LEU  65  -0.991   8.442   8.681
  302   3HD1  LEU  65          3HD1      LEU  65  -2.124   7.154   8.223
  303   1HD2  LEU  65          1HD2      LEU  65  -2.710   8.508   6.265
  304   2HD2  LEU  65          2HD2      LEU  65  -1.489   9.757   6.581
  305   3HD2  LEU  65          3HD2      LEU  65  -1.496   8.898   5.026
  306    H    ASN  66           H        ASN  66   3.545   7.131   5.701
  307    HA   ASN  66           HA       ASN  66   5.020   9.639   6.132
  308   1HB   ASN  66          1HB       ASN  66   5.684   6.686   6.535
  309   2HB   ASN  66          2HB       ASN  66   6.889   7.914   6.669
  310   1HD2  ASN  66          1HD2      ASN  66   3.706   7.060   7.929
  311   2HD2  ASN  66          2HD2      ASN  66   4.128   7.292   9.589
  312    H    GLY  67           H        GLY  67   5.474   6.673   4.203
  313   1HA   GLY  67          1HA       GLY  67   6.375   6.912   1.866
  314   2HA   GLY  67          2HA       GLY  67   7.633   7.934   2.601
  315    H    GLN  68           H        GLN  68   9.109   6.336   1.846
  316    HA   GLN  68           HA       GLN  68   9.958   4.432   3.824
  317   1HB   GLN  68          1HB       GLN  68   8.747   2.534   2.734
  318   2HB   GLN  68          2HB       GLN  68   8.614   3.481   1.304
  319   1HG   GLN  68          1HG       GLN  68   9.843   1.700   0.947
  320   2HG   GLN  68          2HG       GLN  68  11.009   2.978   0.772
  321   1HE2  GLN  68          1HE2      GLN  68   9.803   0.351   2.952
  322   2HE2  GLN  68          2HE2      GLN  68  11.301   0.142   3.808
  323    H    GLY  69           H        GLY  69  12.314   3.850   3.008
  324   1HA   GLY  69          1HA       GLY  69  13.868   5.994   2.540
  325   2HA   GLY  69          2HA       GLY  69  14.273   4.372   1.965
  326    H    GLY  70           H        GLY  70  12.754   3.876  -0.176
  327   1HA   GLY  70          1HA       GLY  70  13.454   6.022  -2.140
  328   2HA   GLY  70          2HA       GLY  70  13.258   4.302  -2.459
  329    H    MET  71           H        MET  71  10.885   6.097  -0.484
  330    HA   MET  71           HA       MET  71   8.948   6.039  -2.762
  331   1HB   MET  71          1HB       MET  71   8.798   4.007  -1.303
  332   2HB   MET  71          2HB       MET  71   8.539   5.109   0.055
  333   1HG   MET  71          1HG       MET  71   6.463   5.873  -0.791
  334   2HG   MET  71          2HG       MET  71   6.629   4.954  -2.282
  335   1HE   MET  71          1HE       MET  71   4.002   4.754  -0.800
  336   2HE   MET  71          2HE       MET  71   3.842   3.634   0.563
  337   3HE   MET  71          3HE       MET  71   4.693   5.175   0.788
  338    HA   PRO  72           HA       PRO  72   8.684  10.179  -1.262
  339   1HB   PRO  72          1HB       PRO  72   6.395  11.114  -2.504
  340   2HB   PRO  72          2HB       PRO  72   7.955  10.831  -3.329
  341   1HG   PRO  72          1HG       PRO  72   5.573   8.980  -3.191
  342   2HG   PRO  72          2HG       PRO  72   6.531   9.424  -4.630
  343   1HD   PRO  72          1HD       PRO  72   6.992   7.107  -3.317
  344   2HD   PRO  72          2HD       PRO  72   8.367   8.073  -3.937
  345    H    GLY  73           H        GLY  73   5.631   8.360  -1.001
  346   1HA   GLY  73          1HA       GLY  73   4.387   7.992   0.937
  347   2HA   GLY  73          2HA       GLY  73   5.387   9.167   1.807
  348    H    GLY  74           H        GLY  74   2.707   9.110   2.153
  349   1HA   GLY  74          1HA       GLY  74   0.942  10.574   2.359
  350   2HA   GLY  74          2HA       GLY  74   1.936  11.852   1.635
  351    H    ILE  75           H        ILE  75   1.633   8.890  -0.099
  352    HA   ILE  75           HA       ILE  75   0.468   9.998  -2.460
  353    HB   ILE  75           HB       ILE  75   1.005   7.216  -1.369
  354   1HG1  ILE  75          1HG1      ILE  75   2.382   8.297  -3.801
  355   2HG1  ILE  75          2HG1      ILE  75   2.802   9.090  -2.281
  356   1HG2  ILE  75          1HG2      ILE  75   0.697   6.353  -3.682
  357   2HG2  ILE  75          2HG2      ILE  75  -0.806   6.877  -2.917
  358   3HG2  ILE  75          3HG2      ILE  75  -0.029   7.906  -4.143
  359   1HD1  ILE  75          1HD1      ILE  75   3.538   7.069  -1.271
  360   2HD1  ILE  75          2HD1      ILE  75   2.836   6.083  -2.562
  361   3HD1  ILE  75          3HD1      ILE  75   4.253   7.090  -2.898
  362    H    ALA  76           H        ALA  76  -0.822   8.385   0.423
  363    HA   ALA  76           HA       ALA  76  -3.524   9.177  -0.320
  364   1HB   ALA  76          1HB       ALA  76  -3.581   6.858  -1.035
  365   2HB   ALA  76          2HB       ALA  76  -2.645   6.333   0.377
  366   3HB   ALA  76          3HB       ALA  76  -4.304   6.891   0.592
  367    H    LYS  77           H        LYS  77  -4.704   9.747   1.626
  368    HA   LYS  77           HA       LYS  77  -3.490   9.141   4.163
  369   1HB   LYS  77          1HB       LYS  77  -3.591  11.619   4.768
  370   2HB   LYS  77          2HB       LYS  77  -2.198  10.991   3.893
  371   1HG   LYS  77          1HG       LYS  77  -4.058  11.956   1.916
  372   2HG   LYS  77          2HG       LYS  77  -4.023  13.158   3.181
  373   1HD   LYS  77          1HD       LYS  77  -1.579  11.918   1.822
  374   2HD   LYS  77          2HD       LYS  77  -2.281  13.446   1.323
  375   1HE   LYS  77          1HE       LYS  77  -1.029  12.884   4.075
  376   2HE   LYS  77          2HE       LYS  77  -0.243  13.712   2.733
  377   1HZ   LYS  77          1HZ       LYS  77  -1.141  15.249   4.307
  378   2HZ   LYS  77          2HZ       LYS  77  -1.919  15.419   2.870
  379   3HZ   LYS  77          3HZ       LYS  77  -2.660  14.650   4.126
  380    H    GLY  78           H        GLY  78  -4.732   9.949   6.003
  381   1HA   GLY  78          1HA       GLY  78  -6.667   9.767   7.181
  382   2HA   GLY  78          2HA       GLY  78  -7.463  10.641   5.858
  383    H    ALA  79           H        ALA  79  -9.302   9.389   5.803
  384    HA   ALA  79           HA       ALA  79  -9.878   6.789   5.854
  385   1HB   ALA  79          1HB       ALA  79 -11.674   7.212   4.233
  386   2HB   ALA  79          2HB       ALA  79 -11.519   8.536   5.402
  387   3HB   ALA  79          3HB       ALA  79 -10.891   8.731   3.747
  388    H    GLU  80           H        GLU  80  -8.191   8.351   3.119
  389    HA   GLU  80           HA       GLU  80  -8.404   6.187   1.284
  390   1HB   GLU  80          1HB       GLU  80  -7.733   8.690   0.931
  391   2HB   GLU  80          2HB       GLU  80  -6.108   8.167   1.368
  392   1HG   GLU  80          1HG       GLU  80  -6.200   6.504  -0.511
  393   2HG   GLU  80          2HG       GLU  80  -7.820   7.066  -0.893
  394    H    ALA  81           H        ALA  81  -5.686   7.118   3.553
  395    HA   ALA  81           HA       ALA  81  -4.134   4.780   2.873
  396   1HB   ALA  81          1HB       ALA  81  -3.125   6.873   3.687
  397   2HB   ALA  81          2HB       ALA  81  -3.945   6.666   5.255
  398   3HB   ALA  81          3HB       ALA  81  -2.708   5.505   4.716
  399    H    GLU  82           H        GLU  82  -6.393   5.690   5.508
  400    HA   GLU  82           HA       GLU  82  -6.131   3.440   7.195
  401   1HB   GLU  82          1HB       GLU  82  -8.563   5.090   6.469
  402   2HB   GLU  82          2HB       GLU  82  -8.489   3.976   7.831
  403   1HG   GLU  82          1HG       GLU  82  -6.914   5.291   9.009
  404   2HG   GLU  82          2HG       GLU  82  -6.446   6.223   7.589
  405    H    ALA  83           H        ALA  83  -8.337   3.922   4.403
  406    HA   ALA  83           HA       ALA  83  -9.418   1.318   4.364
  407   1HB   ALA  83          1HB       ALA  83  -8.997   3.216   2.016
  408   2HB   ALA  83          2HB       ALA  83 -10.130   1.851   2.095
  409   3HB   ALA  83          3HB       ALA  83 -10.367   3.243   3.149
  410    H    VAL  84           H        VAL  84  -6.571   2.653   2.510
  411    HA   VAL  84           HA       VAL  84  -5.854   0.269   1.208
  412    HB   VAL  84           HB       VAL  84  -3.927   2.279   2.405
  413   1HG1  VAL  84          1HG1      VAL  84  -2.337   1.182   0.732
  414   2HG1  VAL  84          2HG1      VAL  84  -2.757   0.127   2.069
  415   3HG1  VAL  84          3HG1      VAL  84  -3.541  -0.084   0.497
  416   1HG2  VAL  84          1HG2      VAL  84  -3.517   2.912   0.045
  417   2HG2  VAL  84          2HG2      VAL  84  -4.904   1.914  -0.443
  418   3HG2  VAL  84          3HG2      VAL  84  -5.158   3.337   0.583
  419    H    ALA  85           H        ALA  85  -4.649   1.334   4.436
  420    HA   ALA  85           HA       ALA  85  -2.910  -0.757   4.939
  421   1HB   ALA  85          1HB       ALA  85  -3.186  -0.153   7.287
  422   2HB   ALA  85          2HB       ALA  85  -3.156   1.285   6.249
  423   3HB   ALA  85          3HB       ALA  85  -4.693   0.710   6.935
  424    H    ALA  86           H        ALA  86  -6.344  -0.662   6.046
  425    HA   ALA  86           HA       ALA  86  -6.401  -3.270   7.161
  426   1HB   ALA  86          1HB       ALA  86  -8.135  -1.598   7.583
  427   2HB   ALA  86          2HB       ALA  86  -8.637  -1.634   5.879
  428   3HB   ALA  86          3HB       ALA  86  -8.863  -3.068   6.906
  429    H    TRP  87           H        TRP  87  -7.396  -2.155   3.889
  430    HA   TRP  87           HA       TRP  87  -8.147  -4.688   2.841
  431   1HB   TRP  87          1HB       TRP  87  -8.791  -2.612   1.828
  432   2HB   TRP  87          2HB       TRP  87  -7.085  -2.143   1.673
  433    HD1  TRP  87           HD       TRP  87  -9.615  -4.408  -0.144
  434    HE1  TRP  87           1HE      TRP  87  -8.511  -5.312  -2.254
  435    HE3  TRP  87           3HE      TRP  87  -5.128  -1.958   0.193
  436    HZ2  TRP  87           2HZ      TRP  87  -5.058  -5.039  -2.576
  437    HZ3  TRP  87           3HZ      TRP  87  -3.780  -1.816  -1.874
  438    HH2  TRP  87           HH       TRP  87  -4.211  -3.231  -3.778
  439    H    LEU  88           H        LEU  88  -4.983  -3.080   3.055
  440    HA   LEU  88           HA       LEU  88  -3.687  -4.919   1.307
  441   1HB   LEU  88          1HB       LEU  88  -2.990  -2.454   2.207
  442   2HB   LEU  88          2HB       LEU  88  -1.953  -3.457   3.183
  443    HG   LEU  88           HG       LEU  88  -1.098  -2.605   1.016
  444   1HD1  LEU  88          1HD1      LEU  88   0.276  -4.324   0.630
  445   2HD1  LEU  88          2HD1      LEU  88  -0.489  -5.071   2.056
  446   3HD1  LEU  88          3HD1      LEU  88  -1.021  -5.519   0.423
  447   1HD2  LEU  88          1HD2      LEU  88  -1.537  -3.323  -1.100
  448   2HD2  LEU  88          2HD2      LEU  88  -2.982  -4.196  -0.548
  449   3HD2  LEU  88          3HD2      LEU  88  -2.789  -2.439  -0.214
  450    H    ALA  89           H        ALA  89  -3.925  -4.566   4.845
  451    HA   ALA  89           HA       ALA  89  -2.500  -6.916   5.608
  452   1HB   ALA  89          1HB       ALA  89  -4.900  -5.608   6.917
  453   2HB   ALA  89          2HB       ALA  89  -3.870  -6.862   7.634
  454   3HB   ALA  89          3HB       ALA  89  -3.176  -5.285   7.223
  455    H    GLU  90           H        GLU  90  -5.832  -6.451   4.412
  456    HA   GLU  90           HA       GLU  90  -6.539  -9.221   4.695
  457   1HB   GLU  90          1HB       GLU  90  -8.022  -7.252   4.741
  458   2HB   GLU  90          2HB       GLU  90  -7.801  -7.033   3.016
  459   1HG   GLU  90          1HG       GLU  90  -8.622  -9.802   3.648
  460   2HG   GLU  90          2HG       GLU  90  -9.744  -8.610   4.309
  461    H    LYS  91           H        LYS  91  -4.590  -7.621   2.338
  462    HA   LYS  91           HA       LYS  91  -5.263  -8.998   0.002
  463   1HB   LYS  91          1HB       LYS  91  -3.936  -6.809   0.630
  464   2HB   LYS  91          2HB       LYS  91  -2.515  -7.798   0.349
  465   1HG   LYS  91          1HG       LYS  91  -4.813  -7.066  -1.537
  466   2HG   LYS  91          2HG       LYS  91  -3.203  -6.343  -1.490
  467   1HD   LYS  91          1HD       LYS  91  -3.025  -7.704  -3.310
  468   2HD   LYS  91          2HD       LYS  91  -2.263  -8.671  -2.037
  469   1HE   LYS  91          1HE       LYS  91  -4.372  -9.986  -1.772
  470   2HE   LYS  91          2HE       LYS  91  -5.190  -8.924  -2.905
  471   1HZ   LYS  91          1HZ       LYS  91  -3.618  -9.663  -4.606
  472   2HZ   LYS  91          2HZ       LYS  91  -2.931 -10.701  -3.525
  473   3HZ   LYS  91          3HZ       LYS  91  -4.499 -10.913  -3.994
  474    H    LYS  92           H        LYS  92  -4.309 -10.819   2.377
  475    HA   LYS  92           HA       LYS  92  -1.469 -11.271   1.579
  476   1HB   LYS  92          1HB       LYS  92  -1.056 -11.404   3.768
  477   2HB   LYS  92          2HB       LYS  92  -2.201 -10.063   3.436
  478   1HG   LYS  92          1HG       LYS  92  -4.039 -11.328   4.397
  479   2HG   LYS  92          2HG       LYS  92  -3.055 -12.804   4.507
  480   1HD   LYS  92          1HD       LYS  92  -1.693 -11.917   6.277
  481   2HD   LYS  92          2HD       LYS  92  -2.310 -10.292   6.030
  482   1HE   LYS  92          1HE       LYS  92  -3.330 -11.280   8.022
  483   2HE   LYS  92          2HE       LYS  92  -4.534 -10.883   6.790
  484   1HZ   LYS  92          1HZ       LYS  92  -4.936 -13.039   7.716
  485   2HZ   LYS  92          2HZ       LYS  92  -4.544 -13.181   6.123
  486   3HZ   LYS  92          3HZ       LYS  92  -3.436 -13.569   7.278
  487    HHA  HEC  93           HHA      HEC  93   8.706  -0.028   0.408
  488    HHB  HEC  93           HHB      HEC  93   2.237  -0.014   0.744
  489    HHC  HEC  93           HHC      HEC  93   2.246   4.286  -4.025
  490    HHD  HEC  93           HHD      HEC  93   8.494   3.260  -4.998
  491   1HMA  HEC  93          1HMA      HEC  93   4.110  -2.502   2.243
  492   2HMA  HEC  93          2HMA      HEC  93   4.601  -1.330   3.485
  493   3HMA  HEC  93          3HMA      HEC  93   3.106  -1.077   2.586
  494   1HAA  HEC  93          1HAA      HEC  93   6.905  -1.921   3.005
  495   2HAA  HEC  93          2HAA      HEC  93   8.028  -0.671   2.575
  496   1HBA  HEC  93          1HBA      HEC  93   8.085  -1.967   0.318
  497   2HBA  HEC  93          2HBA      HEC  93   7.429  -3.325   1.232
  498   1HMB  HEC  93          1HMB      HEC  93   0.162  -0.169  -0.995
  499   2HMB  HEC  93          2HMB      HEC  93   0.136   0.771   0.505
  500   3HMB  HEC  93          3HMB      HEC  93  -0.851   1.264  -0.873
  501    HAB  HEC  93           HAB      HEC  93   0.283   3.977  -3.442
  502   1HBB  HEC  93          1HBB      HEC  93  -1.229   3.367  -0.881
  503   2HBB  HEC  93          2HBB      HEC  93  -0.396   4.863  -1.302
  504   3HBB  HEC  93          3HBB      HEC  93  -1.796   4.333  -2.251
  505   1HMC  HEC  93          1HMC      HEC  93   4.153   5.778  -6.915
  506   2HMC  HEC  93          2HMC      HEC  93   2.982   4.526  -6.537
  507   3HMC  HEC  93          3HMC      HEC  93   3.092   5.977  -5.515
  508    HAC  HEC  93           HAC      HEC  93   7.817   4.440  -6.574
  509   1HBC  HEC  93          1HBC      HEC  93   7.533   6.625  -7.551
  510   2HBC  HEC  93          2HBC      HEC  93   5.998   6.860  -6.696
  511   3HBC  HEC  93          3HBC      HEC  93   7.500   6.678  -5.782
  512   1HMD  HEC  93          1HMD      HEC  93  11.195   0.841  -4.105
  513   2HMD  HEC  93          2HMD      HEC  93  10.122   1.795  -5.121
  514   3HMD  HEC  93          3HMD      HEC  93  11.240   2.613  -3.998
  515   1HAD  HEC  93          1HAD      HEC  93  10.895  -0.613  -1.446
  516   2HAD  HEC  93          2HAD      HEC  93  10.727   0.301  -0.116
  517   1HBD  HEC  93          1HBD      HEC  93  12.649   1.288  -0.358
  518   2HBD  HEC  93          2HBD      HEC  93  11.869   2.289  -1.568
  Start of MODEL    9
    1   1H    VAL  22          1H        VAL  22 -14.494   4.269  -0.118
    2   2H    VAL  22          2H        VAL  22 -13.411   4.350   1.124
    3   3H    VAL  22          3H        VAL  22 -14.186   5.739   0.601
    4    HA   VAL  22           HA       VAL  22 -13.174   5.420  -1.553
    5    HB   VAL  22           HB       VAL  22 -11.010   5.467   0.599
    6   1HG1  VAL  22          1HG1      VAL  22 -11.240   6.685  -2.198
    7   2HG1  VAL  22          2HG1      VAL  22  -9.884   6.906  -1.084
    8   3HG1  VAL  22          3HG1      VAL  22 -10.228   5.300  -1.746
    9   1HG2  VAL  22          1HG2      VAL  22 -12.763   7.753  -0.412
   10   2HG2  VAL  22          2HG2      VAL  22 -12.687   7.135   1.258
   11   3HG2  VAL  22          3HG2      VAL  22 -11.286   7.942   0.553
   12    H    ASP  23           H        ASP  23 -12.999   3.704  -2.746
   13    HA   ASP  23           HA       ASP  23 -12.892   1.147  -1.850
   14   1HB   ASP  23          1HB       ASP  23 -12.368   2.219  -4.647
   15   2HB   ASP  23          2HB       ASP  23 -12.919   0.585  -4.248
   16    H    ALA  24           H        ALA  24 -11.170   0.499  -0.721
   17    HA   ALA  24           HA       ALA  24  -8.657   1.369  -0.714
   18   1HB   ALA  24          1HB       ALA  24  -9.673  -0.222   0.931
   19   2HB   ALA  24          2HB       ALA  24  -9.399  -1.525  -0.233
   20   3HB   ALA  24          3HB       ALA  24  -8.015  -0.604   0.431
   21    H    GLU  25           H        GLU  25  -9.646  -1.551  -2.611
   22    HA   GLU  25           HA       GLU  25  -7.040  -1.892  -3.680
   23   1HB   GLU  25          1HB       GLU  25  -7.840  -3.581  -4.992
   24   2HB   GLU  25          2HB       GLU  25  -9.011  -3.569  -3.669
   25   1HG   GLU  25          1HG       GLU  25 -10.570  -2.290  -5.068
   26   2HG   GLU  25          2HG       GLU  25  -9.387  -2.350  -6.433
   27    H    ALA  26           H        ALA  26  -9.844   0.025  -4.841
   28    HA   ALA  26           HA       ALA  26  -8.790   0.687  -7.383
   29   1HB   ALA  26          1HB       ALA  26 -11.161   1.103  -6.581
   30   2HB   ALA  26          2HB       ALA  26 -10.513   2.542  -5.740
   31   3HB   ALA  26          3HB       ALA  26 -10.387   2.417  -7.494
   32    H    VAL  27           H        VAL  27  -8.382   2.242  -4.176
   33    HA   VAL  27           HA       VAL  27  -6.598   4.382  -4.982
   34    HB   VAL  27           HB       VAL  27  -6.378   2.682  -2.452
   35   1HG1  VAL  27          1HG1      VAL  27  -5.197   4.596  -1.544
   36   2HG1  VAL  27          2HG1      VAL  27  -4.352   4.023  -2.975
   37   3HG1  VAL  27          3HG1      VAL  27  -5.365   5.480  -3.074
   38   1HG2  VAL  27          1HG2      VAL  27  -8.619   3.675  -2.556
   39   2HG2  VAL  27          2HG2      VAL  27  -7.628   4.501  -1.351
   40   3HG2  VAL  27          3HG2      VAL  27  -7.915   5.261  -2.937
   41    H    VAL  28           H        VAL  28  -5.682   0.917  -3.960
   42    HA   VAL  28           HA       VAL  28  -3.058   1.806  -4.527
   43    HB   VAL  28           HB       VAL  28  -4.352  -0.823  -3.922
   44   1HG1  VAL  28          1HG1      VAL  28  -1.560  -0.346  -4.586
   45   2HG1  VAL  28          2HG1      VAL  28  -1.740  -1.207  -3.059
   46   3HG1  VAL  28          3HG1      VAL  28  -2.475  -1.833  -4.544
   47   1HG2  VAL  28          1HG2      VAL  28  -3.014  -0.123  -1.641
   48   2HG2  VAL  28          2HG2      VAL  28  -3.199   1.470  -2.328
   49   3HG2  VAL  28          3HG2      VAL  28  -4.629   0.458  -2.040
   50    H    GLN  29           H        GLN  29  -5.300  -0.060  -6.321
   51    HA   GLN  29           HA       GLN  29  -3.913  -0.671  -8.707
   52   1HB   GLN  29          1HB       GLN  29  -6.852  -0.280  -8.022
   53   2HB   GLN  29          2HB       GLN  29  -6.340  -0.854  -9.576
   54   1HG   GLN  29          1HG       GLN  29  -5.716  -2.263  -6.959
   55   2HG   GLN  29          2HG       GLN  29  -6.961  -2.716  -8.128
   56   1HE2  GLN  29          1HE2      GLN  29  -4.139  -3.854  -7.114
   57   2HE2  GLN  29          2HE2      GLN  29  -3.348  -4.269  -8.632
   58    H    GLN  30           H        GLN  30  -4.543   2.452  -7.560
   59    HA   GLN  30           HA       GLN  30  -3.782   3.342 -10.311
   60   1HB   GLN  30          1HB       GLN  30  -6.165   4.082  -9.072
   61   2HB   GLN  30          2HB       GLN  30  -5.084   5.411  -8.642
   62   1HG   GLN  30          1HG       GLN  30  -4.394   5.470 -11.129
   63   2HG   GLN  30          2HG       GLN  30  -5.751   4.371 -11.431
   64   1HE2  GLN  30          1HE2      GLN  30  -7.776   5.393  -9.814
   65   2HE2  GLN  30          2HE2      GLN  30  -8.134   7.035 -10.329
   66    H    LYS  31           H        LYS  31  -3.280   3.736  -6.834
   67    HA   LYS  31           HA       LYS  31  -1.607   6.095  -7.205
   68   1HB   LYS  31          1HB       LYS  31  -3.430   5.108  -5.212
   69   2HB   LYS  31          2HB       LYS  31  -1.883   5.115  -4.464
   70   1HG   LYS  31          1HG       LYS  31  -2.666   7.206  -3.972
   71   2HG   LYS  31          2HG       LYS  31  -1.786   7.616  -5.459
   72   1HD   LYS  31          1HD       LYS  31  -3.998   7.378  -6.695
   73   2HD   LYS  31          2HD       LYS  31  -4.757   6.971  -5.140
   74   1HE   LYS  31          1HE       LYS  31  -3.653   9.281  -4.354
   75   2HE   LYS  31          2HE       LYS  31  -3.696   9.645  -6.087
   76   1HZ   LYS  31          1HZ       LYS  31  -5.930   8.892  -4.314
   77   2HZ   LYS  31          2HZ       LYS  31  -5.667  10.376  -4.916
   78   3HZ   LYS  31          3HZ       LYS  31  -6.119   9.151  -5.933
   79    H    CYS  32           H        CYS  32  -1.277   2.639  -6.415
   80    HA   CYS  32           HA       CYS  32   1.582   3.072  -5.666
   81   1HB   CYS  32          1HB       CYS  32   0.120   0.557  -5.194
   82   2HB   CYS  32          2HB       CYS  32   1.420   1.211  -4.263
   83    H    ILE  33           H        ILE  33  -0.607   1.082  -7.672
   84    HA   ILE  33           HA       ILE  33   1.260  -0.745  -8.631
   85    HB   ILE  33           HB       ILE  33  -0.084  -0.909 -10.668
   86   1HG1  ILE  33          1HG1      ILE  33  -1.971   1.193  -9.577
   87   2HG1  ILE  33          2HG1      ILE  33  -0.710   1.607 -10.733
   88   1HG2  ILE  33          1HG2      ILE  33  -2.108  -1.758  -9.574
   89   2HG2  ILE  33          2HG2      ILE  33  -0.674  -2.149  -8.629
   90   3HG2  ILE  33          3HG2      ILE  33  -1.714  -0.842  -8.105
   91   1HD1  ILE  33          1HD1      ILE  33  -1.530  -0.043 -12.348
   92   2HD1  ILE  33          2HD1      ILE  33  -2.885  -0.433 -11.267
   93   3HD1  ILE  33          3HD1      ILE  33  -2.730   1.198 -11.956
   94    H    SER  34           H        SER  34   0.928   2.602  -9.480
   95    HA   SER  34           HA       SER  34   2.362   3.072 -11.732
   96   1HB   SER  34          1HB       SER  34   1.382   4.750 -10.148
   97   2HB   SER  34          2HB       SER  34   2.774   4.505  -9.074
   98    HG   SER  34           HG       SER  34   3.018   6.297 -10.508
   99    H    CYS  35           H        CYS  35   3.794   2.146  -8.549
  100    HA   CYS  35           HA       CYS  35   6.396   1.679  -9.962
  101   1HB   CYS  35          1HB       CYS  35   6.229   2.074  -6.974
  102   2HB   CYS  35          2HB       CYS  35   7.604   2.164  -8.052
  103    H    HIS  36           H        HIS  36   4.074   0.381  -7.527
  104    HA   HIS  36           HA       HIS  36   5.642  -2.017  -7.150
  105   1HB   HIS  36          1HB       HIS  36   2.858  -1.192  -6.317
  106   2HB   HIS  36          2HB       HIS  36   3.571  -2.762  -5.916
  107    HD1  HIS  36           1HD      HIS  36   5.835  -2.731  -4.354
  108    HD2  HIS  36           2HD      HIS  36   3.688   0.891  -4.785
  109    HE1  HIS  36           1HE      HIS  36   6.604  -1.175  -2.496
  110    H    GLY  37           H        GLY  37   3.473  -1.189  -9.710
  111   1HA   GLY  37          1HA       GLY  37   3.161  -2.445 -11.621
  112   2HA   GLY  37          2HA       GLY  37   3.720  -3.921 -10.815
  113    H    GLY  38           H        GLY  38   1.316  -3.637 -12.407
  114   1HA   GLY  38          1HA       GLY  38  -1.082  -3.044 -11.349
  115   2HA   GLY  38          2HA       GLY  38  -0.834  -4.447 -12.386
  116    H    ASP  39           H        ASP  39   0.302  -6.358 -10.994
  117    HA   ASP  39           HA       ASP  39  -1.761  -7.133  -9.107
  118   1HB   ASP  39          1HB       ASP  39   0.787  -8.546  -9.966
  119   2HB   ASP  39          2HB       ASP  39  -0.561  -9.276  -9.079
  120    H    LEU  40           H        LEU  40   0.854  -5.166  -8.599
  121    HA   LEU  40           HA       LEU  40   2.074  -4.479  -6.870
  122   1HB   LEU  40          1HB       LEU  40   0.061  -5.988  -5.171
  123   2HB   LEU  40          2HB       LEU  40   1.165  -4.743  -4.611
  124    HG   LEU  40           HG       LEU  40  -0.433  -3.905  -7.000
  125   1HD1  LEU  40          1HD1      LEU  40  -2.503  -3.585  -5.856
  126   2HD1  LEU  40          2HD1      LEU  40  -2.111  -5.304  -5.897
  127   3HD1  LEU  40          3HD1      LEU  40  -1.884  -4.387  -4.388
  128   1HD2  LEU  40          1HD2      LEU  40  -0.485  -1.849  -5.925
  129   2HD2  LEU  40          2HD2      LEU  40  -0.157  -2.575  -4.329
  130   3HD2  LEU  40          3HD2      LEU  40   1.116  -2.503  -5.562
  131    H    THR  41           H        THR  41   2.619  -7.023  -8.240
  132    HA   THR  41           HA       THR  41   3.984  -8.810  -6.453
  133    HB   THR  41           HB       THR  41   4.638  -9.635  -8.877
  134    HG1  THR  41           1HG      THR  41   3.099  -8.747 -10.405
  135   1HG2  THR  41          1HG2      THR  41   2.922 -10.747  -7.520
  136   2HG2  THR  41          2HG2      THR  41   1.734  -9.497  -7.925
  137   3HG2  THR  41          3HG2      THR  41   2.340 -10.589  -9.187
  138    H    GLY  42           H        GLY  42   4.784  -5.710  -7.792
  139   1HA   GLY  42          1HA       GLY  42   6.597  -4.635  -6.920
  140   2HA   GLY  42          2HA       GLY  42   7.505  -6.142  -6.727
  141    H    ALA  43           H        ALA  43   6.300  -3.838  -9.149
  142    HA   ALA  43           HA       ALA  43   8.098  -4.844 -11.235
  143   1HB   ALA  43          1HB       ALA  43   5.962  -3.980 -11.891
  144   2HB   ALA  43          2HB       ALA  43   6.276  -2.410 -11.135
  145   3HB   ALA  43          3HB       ALA  43   7.227  -2.924 -12.545
  146    H    SER  44           H        SER  44   7.850  -1.475 -10.073
  147    HA   SER  44           HA       SER  44  10.792  -1.129 -10.342
  148   1HB   SER  44          1HB       SER  44   9.225   0.389 -11.609
  149   2HB   SER  44          2HB       SER  44   8.612   0.966 -10.044
  150    HG   SER  44           HG       SER  44  10.876   1.443  -9.558
  151    H    ALA  45           H        ALA  45   8.801  -2.119  -7.970
  152    HA   ALA  45           HA       ALA  45  10.258  -0.940  -5.699
  153   1HB   ALA  45          1HB       ALA  45   8.086  -0.394  -4.621
  154   2HB   ALA  45          2HB       ALA  45   8.298   0.557  -6.096
  155   3HB   ALA  45          3HB       ALA  45   7.230  -0.848  -6.101
  156    HA   PRO  46           HA       PRO  46   9.885  -5.220  -4.701
  157   1HB   PRO  46          1HB       PRO  46   9.356  -5.364  -1.986
  158   2HB   PRO  46          2HB       PRO  46  10.935  -4.887  -2.675
  159   1HG   PRO  46          1HG       PRO  46   8.687  -3.069  -1.783
  160   2HG   PRO  46          2HG       PRO  46  10.412  -2.990  -1.308
  161   1HD   PRO  46          1HD       PRO  46   9.446  -1.428  -3.287
  162   2HD   PRO  46          2HD       PRO  46  11.028  -2.221  -3.515
  163    H    ALA  47           H        ALA  47   8.432  -6.950  -3.938
  164    HA   ALA  47           HA       ALA  47   5.734  -6.597  -4.833
  165   1HB   ALA  47          1HB       ALA  47   5.451  -8.917  -4.123
  166   2HB   ALA  47          2HB       ALA  47   7.032  -8.765  -4.919
  167   3HB   ALA  47          3HB       ALA  47   6.940  -8.851  -3.157
  168    H    ILE  48           H        ILE  48   4.123  -5.635  -3.684
  169    HA   ILE  48           HA       ILE  48   4.223  -5.905  -0.711
  170    HB   ILE  48           HB       ILE  48   3.291  -3.773  -0.316
  171   1HG1  ILE  48          1HG1      ILE  48   3.405  -2.013  -2.151
  172   2HG1  ILE  48          2HG1      ILE  48   3.276  -3.344  -3.309
  173   1HG2  ILE  48          1HG2      ILE  48   5.723  -4.087  -0.370
  174   2HG2  ILE  48          2HG2      ILE  48   5.747  -3.587  -2.070
  175   3HG2  ILE  48          3HG2      ILE  48   5.245  -2.447  -0.816
  176   1HD1  ILE  48          1HD1      ILE  48   1.055  -3.892  -2.358
  177   2HD1  ILE  48          2HD1      ILE  48   1.335  -2.776  -1.000
  178   3HD1  ILE  48          3HD1      ILE  48   1.139  -2.135  -2.627
  179    H    ASP  49           H        ASP  49   2.608  -7.016  -3.409
  180    HA   ASP  49           HA       ASP  49  -0.005  -7.057  -2.493
  181   1HB   ASP  49          1HB       ASP  49  -0.402  -8.594  -4.077
  182   2HB   ASP  49          2HB       ASP  49   1.231  -8.264  -4.593
  183    H    LYS  50           H        LYS  50   2.742  -8.843  -1.260
  184    HA   LYS  50           HA       LYS  50   1.065 -10.271   0.729
  185   1HB   LYS  50          1HB       LYS  50   3.471 -10.997  -0.732
  186   2HB   LYS  50          2HB       LYS  50   3.820 -11.007   0.984
  187   1HG   LYS  50          1HG       LYS  50   3.012 -13.191   0.574
  188   2HG   LYS  50          2HG       LYS  50   1.696 -12.342   1.375
  189   1HD   LYS  50          1HD       LYS  50   0.658 -13.512  -0.386
  190   2HD   LYS  50          2HD       LYS  50   0.740 -11.841  -0.961
  191   1HE   LYS  50          1HE       LYS  50   2.850 -12.421  -2.239
  192   2HE   LYS  50          2HE       LYS  50   2.683 -14.092  -1.702
  193   1HZ   LYS  50          1HZ       LYS  50   0.763 -12.525  -3.313
  194   2HZ   LYS  50          2HZ       LYS  50   1.780 -13.695  -3.888
  195   3HZ   LYS  50          3HZ       LYS  50   0.558 -14.120  -2.861
  196    H    ALA  51           H        ALA  51   2.232  -7.261   0.650
  197    HA   ALA  51           HA       ALA  51   3.926  -7.094   2.898
  198   1HB   ALA  51          1HB       ALA  51   3.448  -5.254   1.308
  199   2HB   ALA  51          2HB       ALA  51   1.879  -5.014   2.111
  200   3HB   ALA  51          3HB       ALA  51   3.373  -4.782   3.018
  201    H    GLY  52           H        GLY  52   0.279  -7.374   2.733
  202   1HA   GLY  52          1HA       GLY  52  -0.211  -6.998   5.457
  203   2HA   GLY  52          2HA       GLY  52  -1.101  -8.061   4.341
  204    H    ALA  53           H        ALA  53   1.235  -9.851   3.849
  205    HA   ALA  53           HA       ALA  53   0.964 -11.570   6.219
  206   1HB   ALA  53          1HB       ALA  53   2.725 -11.888   3.745
  207   2HB   ALA  53          2HB       ALA  53   2.444 -13.092   5.009
  208   3HB   ALA  53          3HB       ALA  53   1.113 -12.597   3.959
  209    H    ASN  54           H        ASN  54   3.458  -9.610   4.597
  210    HA   ASN  54           HA       ASN  54   5.572 -10.435   6.380
  211   1HB   ASN  54          1HB       ASN  54   5.403  -8.048   4.500
  212   2HB   ASN  54          2HB       ASN  54   6.876  -8.626   5.287
  213   1HD2  ASN  54          1HD2      ASN  54   6.621  -8.386   2.452
  214   2HD2  ASN  54          2HD2      ASN  54   6.714 -10.011   1.797
  215    H    TYR  55           H        TYR  55   3.364  -7.682   6.365
  216    HA   TYR  55           HA       TYR  55   4.459  -6.581   8.891
  217   1HB   TYR  55          1HB       TYR  55   3.727  -4.968   6.413
  218   2HB   TYR  55          2HB       TYR  55   4.350  -4.337   7.935
  219    HD1  TYR  55           1HD      TYR  55   5.331  -4.098   4.898
  220    HD2  TYR  55           2HD      TYR  55   6.691  -6.143   8.444
  221    HE1  TYR  55           1HE      TYR  55   7.667  -4.046   4.051
  222    HE2  TYR  55           2HE      TYR  55   8.988  -6.155   7.560
  223    HH   TYR  55           HH       TYR  55  10.391  -5.466   5.864
  224    H    SER  56           H        SER  56   2.837  -5.093   9.882
  225    HA   SER  56           HA       SER  56   0.112  -6.191   9.429
  226   1HB   SER  56          1HB       SER  56   1.235  -4.595  11.742
  227   2HB   SER  56          2HB       SER  56  -0.348  -5.407  11.665
  228    HG   SER  56           HG       SER  56   1.226  -6.657  12.735
  229    H    GLU  57           H        GLU  57  -1.705  -4.504   9.963
  230    HA   GLU  57           HA       GLU  57  -1.673  -2.786   7.719
  231   1HB   GLU  57          1HB       GLU  57  -3.876  -2.260   8.205
  232   2HB   GLU  57          2HB       GLU  57  -3.678  -3.904   8.751
  233   1HG   GLU  57          1HG       GLU  57  -4.858  -3.067  10.505
  234   2HG   GLU  57          2HG       GLU  57  -3.241  -2.730  11.128
  235    H    GLU  58           H        GLU  58  -1.106  -2.137  11.189
  236    HA   GLU  58           HA       GLU  58  -0.906   0.623  11.121
  237   1HB   GLU  58          1HB       GLU  58   0.613   0.362  13.064
  238   2HB   GLU  58          2HB       GLU  58  -0.934  -0.470  13.197
  239   1HG   GLU  58          1HG       GLU  58   1.542  -2.046  12.389
  240   2HG   GLU  58          2HG       GLU  58   1.254  -1.586  14.051
  241    H    GLU  59           H        GLU  59   1.736  -1.709  10.473
  242    HA   GLU  59           HA       GLU  59   3.833   0.158  10.034
  243   1HB   GLU  59          1HB       GLU  59   3.264  -2.618   8.918
  244   2HB   GLU  59          2HB       GLU  59   4.801  -1.795   8.681
  245   1HG   GLU  59          1HG       GLU  59   3.788  -2.169  11.515
  246   2HG   GLU  59          2HG       GLU  59   4.487  -3.536  10.638
  247    H    ILE  60           H        ILE  60   1.520  -1.394   7.839
  248    HA   ILE  60           HA       ILE  60   2.591  -0.327   5.399
  249    HB   ILE  60           HB       ILE  60  -0.139  -1.441   6.128
  250   1HG1  ILE  60          1HG1      ILE  60   1.961  -2.758   4.398
  251   2HG1  ILE  60          2HG1      ILE  60   2.060  -2.891   6.159
  252   1HG2  ILE  60          1HG2      ILE  60   0.976  -0.543   3.453
  253   2HG2  ILE  60          2HG2      ILE  60  -0.312  -1.755   3.562
  254   3HG2  ILE  60          3HG2      ILE  60  -0.580  -0.144   4.223
  255   1HD1  ILE  60          1HD1      ILE  60   0.925  -4.823   5.223
  256   2HD1  ILE  60          2HD1      ILE  60  -0.158  -3.906   6.275
  257   3HD1  ILE  60          3HD1      ILE  60  -0.336  -3.796   4.518
  258    H    LEU  61           H        LEU  61  -0.168   0.636   7.446
  259    HA   LEU  61           HA       LEU  61  -1.076   2.886   6.104
  260   1HB   LEU  61          1HB       LEU  61  -2.029   1.749   8.188
  261   2HB   LEU  61          2HB       LEU  61  -0.810   2.564   9.135
  262    HG   LEU  61           HG       LEU  61  -1.708   4.774   8.313
  263   1HD1  LEU  61          1HD1      LEU  61  -4.011   4.813   7.416
  264   2HD1  LEU  61          2HD1      LEU  61  -2.930   3.974   6.297
  265   3HD1  LEU  61          3HD1      LEU  61  -4.009   3.039   7.349
  266   1HD2  LEU  61          1HD2      LEU  61  -2.271   3.901  10.532
  267   2HD2  LEU  61          2HD2      LEU  61  -3.678   4.716   9.825
  268   3HD2  LEU  61          3HD2      LEU  61  -3.599   2.941   9.844
  269    H    ASP  62           H        ASP  62   1.401   2.676   8.709
  270    HA   ASP  62           HA       ASP  62   1.896   5.476   8.639
  271   1HB   ASP  62          1HB       ASP  62   2.746   3.395  10.293
  272   2HB   ASP  62          2HB       ASP  62   4.242   3.925   9.517
  273    H    ILE  63           H        ILE  63   3.413   2.750   6.899
  274    HA   ILE  63           HA       ILE  63   5.488   4.361   5.683
  275    HB   ILE  63           HB       ILE  63   4.336   1.625   5.259
  276   1HG1  ILE  63          1HG1      ILE  63   7.210   2.652   5.147
  277   2HG1  ILE  63          2HG1      ILE  63   6.359   2.279   6.659
  278   1HG2  ILE  63          1HG2      ILE  63   5.828   3.014   3.003
  279   2HG2  ILE  63          2HG2      ILE  63   5.566   1.271   3.137
  280   3HG2  ILE  63          3HG2      ILE  63   4.181   2.323   2.958
  281   1HD1  ILE  63          1HD1      ILE  63   6.021  -0.065   5.871
  282   2HD1  ILE  63          2HD1      ILE  63   7.024   0.299   4.445
  283   3HD1  ILE  63          3HD1      ILE  63   7.724   0.396   6.061
  284    H    ILE  64           H        ILE  64   2.136   3.649   4.641
  285    HA   ILE  64           HA       ILE  64   2.360   4.998   2.115
  286    HB   ILE  64           HB       ILE  64   0.011   4.471   3.965
  287   1HG1  ILE  64          1HG1      ILE  64   0.615   3.122   1.320
  288   2HG1  ILE  64          2HG1      ILE  64   1.433   2.570   2.783
  289   1HG2  ILE  64          1HG2      ILE  64   0.015   5.533   1.112
  290   2HG2  ILE  64          2HG2      ILE  64  -1.411   4.864   1.934
  291   3HG2  ILE  64          3HG2      ILE  64  -0.654   6.328   2.553
  292   1HD1  ILE  64          1HD1      ILE  64  -1.575   2.717   2.436
  293   2HD1  ILE  64          2HD1      ILE  64  -0.559   1.260   2.472
  294   3HD1  ILE  64          3HD1      ILE  64  -0.741   2.249   3.923
  295    H    LEU  65           H        LEU  65   1.238   6.112   5.330
  296    HA   LEU  65           HA       LEU  65   0.657   8.783   4.489
  297   1HB   LEU  65          1HB       LEU  65   1.304   7.581   7.191
  298   2HB   LEU  65          2HB       LEU  65   0.722   9.233   6.962
  299    HG   LEU  65           HG       LEU  65  -0.950   6.811   6.045
  300   1HD1  LEU  65          1HD1      LEU  65  -2.163   7.123   8.172
  301   2HD1  LEU  65          2HD1      LEU  65  -0.467   6.720   8.511
  302   3HD1  LEU  65          3HD1      LEU  65  -1.026   8.394   8.666
  303   1HD2  LEU  65          1HD2      LEU  65  -2.765   8.464   6.246
  304   2HD2  LEU  65          2HD2      LEU  65  -1.561   9.744   6.507
  305   3HD2  LEU  65          3HD2      LEU  65  -1.573   8.810   4.983
  306    H    ASN  66           H        ASN  66   3.607   7.300   5.766
  307    HA   ASN  66           HA       ASN  66   5.046   9.846   6.103
  308   1HB   ASN  66          1HB       ASN  66   5.739   6.911   6.582
  309   2HB   ASN  66          2HB       ASN  66   6.943   8.149   6.661
  310   1HD2  ASN  66          1HD2      ASN  66   3.853   7.177   8.038
  311   2HD2  ASN  66          2HD2      ASN  66   4.325   7.501   9.674
  312    H    GLY  67           H        GLY  67   5.550   6.802   4.283
  313   1HA   GLY  67          1HA       GLY  67   6.500   6.802   2.029
  314   2HA   GLY  67          2HA       GLY  67   7.562   8.133   2.520
  315    H    GLN  68           H        GLN  68   7.451   4.825   2.155
  316    HA   GLN  68           HA       GLN  68   9.420   3.927   4.097
  317   1HB   GLN  68          1HB       GLN  68   8.813   1.951   2.889
  318   2HB   GLN  68          2HB       GLN  68   8.126   2.962   1.658
  319   1HG   GLN  68          1HG       GLN  68   9.642   1.681   0.685
  320   2HG   GLN  68          2HG       GLN  68  10.384   3.236   0.602
  321   1HE2  GLN  68          1HE2      GLN  68  10.540   0.022   2.419
  322   2HE2  GLN  68          2HE2      GLN  68  12.150   0.323   2.979
  323    H    GLY  69           H        GLY  69  11.765   4.003   3.756
  324   1HA   GLY  69          1HA       GLY  69  13.152   6.164   3.094
  325   2HA   GLY  69          2HA       GLY  69  13.756   4.556   2.719
  326    H    GLY  70           H        GLY  70  12.781   3.719   0.471
  327   1HA   GLY  70          1HA       GLY  70  13.589   5.761  -1.515
  328   2HA   GLY  70          2HA       GLY  70  13.347   4.044  -1.789
  329    H    MET  71           H        MET  71  10.784   5.789  -0.159
  330    HA   MET  71           HA       MET  71   9.122   5.844  -2.644
  331   1HB   MET  71          1HB       MET  71   8.814   3.768  -1.434
  332   2HB   MET  71          2HB       MET  71   8.603   4.645   0.078
  333   1HG   MET  71          1HG       MET  71   6.555   5.634  -0.641
  334   2HG   MET  71          2HG       MET  71   6.639   4.870  -2.224
  335   1HE   MET  71          1HE       MET  71   4.792   4.885   0.872
  336   2HE   MET  71          2HE       MET  71   4.059   4.584  -0.720
  337   3HE   MET  71          3HE       MET  71   3.915   3.372   0.577
  338    HA   PRO  72           HA       PRO  72   8.065   9.787  -0.531
  339   1HB   PRO  72          1HB       PRO  72   6.328  10.800  -2.392
  340   2HB   PRO  72          2HB       PRO  72   8.105  10.878  -2.567
  341   1HG   PRO  72          1HG       PRO  72   6.196   8.940  -3.852
  342   2HG   PRO  72          2HG       PRO  72   7.599   9.752  -4.586
  343   1HD   PRO  72          1HD       PRO  72   7.592   7.158  -3.591
  344   2HD   PRO  72          2HD       PRO  72   9.079   8.158  -3.691
  345    H    GLY  73           H        GLY  73   6.312  10.127   0.887
  346   1HA   GLY  73          1HA       GLY  73   4.058   8.161   0.774
  347   2HA   GLY  73          2HA       GLY  73   4.693   8.951   2.208
  348    H    GLY  74           H        GLY  74   2.311   9.266   2.312
  349   1HA   GLY  74          1HA       GLY  74   0.528  10.709   2.360
  350   2HA   GLY  74          2HA       GLY  74   1.538  12.005   1.677
  351    H    ILE  75           H        ILE  75   1.617   9.070  -0.098
  352    HA   ILE  75           HA       ILE  75   0.353  10.090  -2.441
  353    HB   ILE  75           HB       ILE  75   1.172   7.302  -1.509
  354   1HG1  ILE  75          1HG1      ILE  75   2.431   9.424  -3.310
  355   2HG1  ILE  75          2HG1      ILE  75   3.036   8.824  -1.760
  356   1HG2  ILE  75          1HG2      ILE  75   0.942   6.570  -3.866
  357   2HG2  ILE  75          2HG2      ILE  75  -0.586   7.019  -3.161
  358   3HG2  ILE  75          3HG2      ILE  75   0.231   8.148  -4.275
  359   1HD1  ILE  75          1HD1      ILE  75   3.254   6.530  -2.865
  360   2HD1  ILE  75          2HD1      ILE  75   2.932   7.379  -4.410
  361   3HD1  ILE  75          3HD1      ILE  75   4.349   7.788  -3.461
  362    H    ALA  76           H        ALA  76  -0.826   8.409   0.430
  363    HA   ALA  76           HA       ALA  76  -3.558   8.985  -0.431
  364   1HB   ALA  76          1HB       ALA  76  -3.437   6.614  -0.950
  365   2HB   ALA  76          2HB       ALA  76  -2.547   6.274   0.544
  366   3HB   ALA  76          3HB       ALA  76  -4.242   6.752   0.631
  367    H    LYS  77           H        LYS  77  -4.766   9.704   1.436
  368    HA   LYS  77           HA       LYS  77  -3.533   9.392   4.075
  369   1HB   LYS  77          1HB       LYS  77  -4.105  12.075   2.723
  370   2HB   LYS  77          2HB       LYS  77  -4.013  11.841   4.467
  371   1HG   LYS  77          1HG       LYS  77  -1.703  10.738   4.003
  372   2HG   LYS  77          2HG       LYS  77  -1.791  11.502   2.422
  373   1HD   LYS  77          1HD       LYS  77  -1.517  13.638   3.315
  374   2HD   LYS  77          2HD       LYS  77  -2.289  13.220   4.857
  375   1HE   LYS  77          1HE       LYS  77  -0.328  11.849   5.521
  376   2HE   LYS  77          2HE       LYS  77   0.493  12.264   4.012
  377   1HZ   LYS  77          1HZ       LYS  77  -0.290  14.173   6.106
  378   2HZ   LYS  77          2HZ       LYS  77   1.223  13.595   5.827
  379   3HZ   LYS  77          3HZ       LYS  77   0.495  14.549   4.704
  380    H    GLY  78           H        GLY  78  -4.938  10.019   5.819
  381   1HA   GLY  78          1HA       GLY  78  -6.872   9.620   6.960
  382   2HA   GLY  78          2HA       GLY  78  -7.674  10.541   5.671
  383    H    ALA  79           H        ALA  79  -9.470   9.288   5.406
  384    HA   ALA  79           HA       ALA  79  -9.987   6.669   5.470
  385   1HB   ALA  79          1HB       ALA  79 -11.659   8.376   4.939
  386   2HB   ALA  79          2HB       ALA  79 -10.980   8.560   3.303
  387   3HB   ALA  79          3HB       ALA  79 -11.740   7.028   3.789
  388    H    GLU  80           H        GLU  80  -8.195   8.246   2.822
  389    HA   GLU  80           HA       GLU  80  -8.291   6.058   0.988
  390   1HB   GLU  80          1HB       GLU  80  -7.703   8.585   0.663
  391   2HB   GLU  80          2HB       GLU  80  -6.077   8.115   1.145
  392   1HG   GLU  80          1HG       GLU  80  -5.999   6.533  -0.766
  393   2HG   GLU  80          2HG       GLU  80  -7.659   6.956  -1.182
  394    H    ALA  81           H        ALA  81  -5.685   7.096   3.387
  395    HA   ALA  81           HA       ALA  81  -4.051   4.805   2.785
  396   1HB   ALA  81          1HB       ALA  81  -3.163   6.944   3.653
  397   2HB   ALA  81          2HB       ALA  81  -4.043   6.687   5.178
  398   3HB   ALA  81          3HB       ALA  81  -2.739   5.578   4.687
  399    H    GLU  82           H        GLU  82  -6.461   5.649   5.305
  400    HA   GLU  82           HA       GLU  82  -6.181   3.394   6.993
  401   1HB   GLU  82          1HB       GLU  82  -8.622   5.042   6.254
  402   2HB   GLU  82          2HB       GLU  82  -8.556   3.891   7.590
  403   1HG   GLU  82          1HG       GLU  82  -6.865   5.164   8.740
  404   2HG   GLU  82          2HG       GLU  82  -6.634   6.257   7.377
  405    H    ALA  83           H        ALA  83  -8.338   3.864   4.157
  406    HA   ALA  83           HA       ALA  83  -9.376   1.246   4.042
  407   1HB   ALA  83          1HB       ALA  83  -8.855   3.198   1.757
  408   2HB   ALA  83          2HB       ALA  83  -9.932   1.794   1.712
  409   3HB   ALA  83          3HB       ALA  83 -10.306   3.137   2.785
  410    H    VAL  84           H        VAL  84  -6.459   2.635   2.352
  411    HA   VAL  84           HA       VAL  84  -5.668   0.264   1.082
  412    HB   VAL  84           HB       VAL  84  -3.790   2.315   2.335
  413   1HG1  VAL  84          1HG1      VAL  84  -3.331  -0.100   0.538
  414   2HG1  VAL  84          2HG1      VAL  84  -2.162   1.218   0.683
  415   3HG1  VAL  84          3HG1      VAL  84  -2.557   0.245   2.087
  416   1HG2  VAL  84          1HG2      VAL  84  -4.881   3.445   0.558
  417   2HG2  VAL  84          2HG2      VAL  84  -3.370   2.850  -0.128
  418   3HG2  VAL  84          3HG2      VAL  84  -4.898   2.001  -0.464
  419    H    ALA  85           H        ALA  85  -4.586   1.339   4.369
  420    HA   ALA  85           HA       ALA  85  -2.856  -0.794   4.849
  421   1HB   ALA  85          1HB       ALA  85  -4.580   0.732   6.850
  422   2HB   ALA  85          2HB       ALA  85  -3.137  -0.223   7.226
  423   3HB   ALA  85          3HB       ALA  85  -2.994   1.220   6.199
  424    H    ALA  86           H        ALA  86  -6.296  -0.564   5.887
  425    HA   ALA  86           HA       ALA  86  -6.520  -3.133   7.014
  426   1HB   ALA  86          1HB       ALA  86  -8.225  -1.392   7.258
  427   2HB   ALA  86          2HB       ALA  86  -8.617  -1.485   5.527
  428   3HB   ALA  86          3HB       ALA  86  -8.952  -2.869   6.592
  429    H    TRP  87           H        TRP  87  -7.286  -2.111   3.642
  430    HA   TRP  87           HA       TRP  87  -8.032  -4.693   2.706
  431   1HB   TRP  87          1HB       TRP  87  -8.693  -2.688   1.615
  432   2HB   TRP  87          2HB       TRP  87  -6.993  -2.183   1.443
  433    HD1  TRP  87           HD       TRP  87  -9.448  -4.629  -0.247
  434    HE1  TRP  87           1HE      TRP  87  -8.372  -5.493  -2.385
  435    HE3  TRP  87           3HE      TRP  87  -5.080  -1.983  -0.044
  436    HZ2  TRP  87           2HZ      TRP  87  -4.986  -5.152  -2.861
  437    HZ3  TRP  87           3HZ      TRP  87  -3.565  -2.059  -2.001
  438    HH2  TRP  87           HH       TRP  87  -4.187  -3.268  -4.048
  439    H    LEU  88           H        LEU  88  -4.871  -3.064   2.798
  440    HA   LEU  88           HA       LEU  88  -3.662  -5.008   1.063
  441   1HB   LEU  88          1HB       LEU  88  -3.015  -2.496   1.474
  442   2HB   LEU  88          2HB       LEU  88  -2.034  -3.139   2.764
  443    HG   LEU  88           HG       LEU  88  -1.066  -2.677   0.464
  444   1HD1  LEU  88          1HD1      LEU  88  -0.181  -4.371   2.272
  445   2HD1  LEU  88          2HD1      LEU  88  -0.683  -5.610   1.087
  446   3HD1  LEU  88          3HD1      LEU  88   0.485  -4.348   0.615
  447   1HD2  LEU  88          1HD2      LEU  88  -1.293  -3.971  -1.403
  448   2HD2  LEU  88          2HD2      LEU  88  -2.059  -5.326  -0.554
  449   3HD2  LEU  88          3HD2      LEU  88  -2.951  -3.840  -0.789
  450    H    ALA  89           H        ALA  89  -3.889  -4.467   4.555
  451    HA   ALA  89           HA       ALA  89  -2.412  -6.753   5.428
  452   1HB   ALA  89          1HB       ALA  89  -3.841  -6.734   7.385
  453   2HB   ALA  89          2HB       ALA  89  -3.166  -5.142   6.991
  454   3HB   ALA  89          3HB       ALA  89  -4.873  -5.497   6.648
  455    H    GLU  90           H        GLU  90  -5.897  -6.372   4.484
  456    HA   GLU  90           HA       GLU  90  -6.361  -9.161   4.818
  457   1HB   GLU  90          1HB       GLU  90  -8.515  -8.588   4.665
  458   2HB   GLU  90          2HB       GLU  90  -7.924  -6.935   4.698
  459   1HG   GLU  90          1HG       GLU  90  -7.880  -7.127   2.096
  460   2HG   GLU  90          2HG       GLU  90  -8.811  -8.607   2.327
  461    H    LYS  91           H        LYS  91  -4.690  -7.649   2.293
  462    HA   LYS  91           HA       LYS  91  -5.500  -9.218   0.050
  463   1HB   LYS  91          1HB       LYS  91  -3.810  -7.075   0.606
  464   2HB   LYS  91          2HB       LYS  91  -2.659  -8.292   0.154
  465   1HG   LYS  91          1HG       LYS  91  -5.061  -7.814  -1.649
  466   2HG   LYS  91          2HG       LYS  91  -3.894  -6.520  -1.458
  467   1HD   LYS  91          1HD       LYS  91  -3.368  -7.780  -3.434
  468   2HD   LYS  91          2HD       LYS  91  -2.062  -7.846  -2.245
  469   1HE   LYS  91          1HE       LYS  91  -2.533 -10.086  -1.633
  470   2HE   LYS  91          2HE       LYS  91  -4.129 -10.060  -2.434
  471   1HZ   LYS  91          1HZ       LYS  91  -2.683  -9.756  -4.528
  472   2HZ   LYS  91          2HZ       LYS  91  -1.451 -10.340  -3.587
  473   3HZ   LYS  91          3HZ       LYS  91  -2.779 -11.240  -3.824
  474    H    LYS  92           H        LYS  92  -3.577  -9.901   2.837
  475    HA   LYS  92           HA       LYS  92  -1.436 -11.255   1.740
  476   1HB   LYS  92          1HB       LYS  92  -0.926 -11.818   4.020
  477   2HB   LYS  92          2HB       LYS  92  -1.558 -10.174   3.840
  478   1HG   LYS  92          1HG       LYS  92  -3.854 -11.225   4.511
  479   2HG   LYS  92          2HG       LYS  92  -2.918 -12.622   5.032
  480   1HD   LYS  92          1HD       LYS  92  -1.789 -11.349   6.753
  481   2HD   LYS  92          2HD       LYS  92  -2.197  -9.827   5.990
  482   1HE   LYS  92          1HE       LYS  92  -3.598  -9.973   7.889
  483   2HE   LYS  92          2HE       LYS  92  -4.617 -10.132   6.451
  484   1HZ   LYS  92          1HZ       LYS  92  -3.656 -12.377   8.093
  485   2HZ   LYS  92          2HZ       LYS  92  -5.174 -11.735   8.134
  486   3HZ   LYS  92          3HZ       LYS  92  -4.635 -12.489   6.769
  487    HHA  HEC  93           HHA      HEC  93   8.747  -0.380   0.152
  488    HHB  HEC  93           HHB      HEC  93   2.314  -0.021   0.677
  489    HHC  HEC  93           HHC      HEC  93   2.400   4.321  -4.070
  490    HHD  HEC  93           HHD      HEC  93   8.621   3.185  -5.066
  491   1HMA  HEC  93          1HMA      HEC  93   4.651  -1.279   3.437
  492   2HMA  HEC  93          2HMA      HEC  93   3.155  -1.071   2.522
  493   3HMA  HEC  93          3HMA      HEC  93   4.163  -2.509   2.252
  494   1HAA  HEC  93          1HAA      HEC  93   6.983  -1.873   2.999
  495   2HAA  HEC  93          2HAA      HEC  93   8.080  -0.677   2.419
  496   1HBA  HEC  93          1HBA      HEC  93   7.994  -2.356   0.295
  497   2HBA  HEC  93          2HBA      HEC  93   7.582  -3.525   1.547
  498   1HMB  HEC  93          1HMB      HEC  93   0.251  -0.156  -0.984
  499   2HMB  HEC  93          2HMB      HEC  93   0.160   0.925   0.415
  500   3HMB  HEC  93          3HMB      HEC  93  -0.772   1.270  -1.053
  501    HAB  HEC  93           HAB      HEC  93   0.448   4.160  -3.392
  502   1HBB  HEC  93          1HBB      HEC  93  -0.997   3.427  -0.827
  503   2HBB  HEC  93          2HBB      HEC  93  -0.146   4.928  -1.206
  504   3HBB  HEC  93          3HBB      HEC  93  -1.608   4.489  -2.106
  505   1HMC  HEC  93          1HMC      HEC  93   4.311   5.745  -6.988
  506   2HMC  HEC  93          2HMC      HEC  93   3.317   4.297  -6.807
  507   3HMC  HEC  93          3HMC      HEC  93   3.068   5.686  -5.747
  508    HAC  HEC  93           HAC      HEC  93   7.984   4.405  -6.628
  509   1HBC  HEC  93          1HBC      HEC  93   7.602   6.624  -7.617
  510   2HBC  HEC  93          2HBC      HEC  93   6.163   6.824  -6.596
  511   3HBC  HEC  93          3HBC      HEC  93   7.756   6.626  -5.855
  512   1HMD  HEC  93          1HMD      HEC  93  11.264   0.692  -4.261
  513   2HMD  HEC  93          2HMD      HEC  93  10.218   1.708  -5.235
  514   3HMD  HEC  93          3HMD      HEC  93  11.349   2.464  -4.080
  515   1HAD  HEC  93          1HAD      HEC  93  11.016  -0.742  -1.466
  516   2HAD  HEC  93          2HAD      HEC  93  10.726   0.237  -0.184
  517   1HBD  HEC  93          1HBD      HEC  93  12.752   1.044  -0.397
  518   2HBD  HEC  93          2HBD      HEC  93  11.918   2.239  -1.338
  Start of MODEL   10
    1   1H    VAL  22          1H        VAL  22 -14.198   4.093   0.290
    2   2H    VAL  22          2H        VAL  22 -12.902   4.253   1.297
    3   3H    VAL  22          3H        VAL  22 -13.862   5.593   0.951
    4    HA   VAL  22           HA       VAL  22 -13.304   5.254  -1.371
    5    HB   VAL  22           HB       VAL  22 -10.740   5.540   0.260
    6   1HG1  VAL  22          1HG1      VAL  22 -10.478   5.332  -2.205
    7   2HG1  VAL  22          2HG1      VAL  22 -11.658   6.633  -2.447
    8   3HG1  VAL  22          3HG1      VAL  22 -10.101   6.976  -1.674
    9   1HG2  VAL  22          1HG2      VAL  22 -12.870   7.634  -0.373
   10   2HG2  VAL  22          2HG2      VAL  22 -12.333   7.109   1.243
   11   3HG2  VAL  22          3HG2      VAL  22 -11.229   8.001   0.193
   12    H    ASP  23           H        ASP  23 -13.000   3.651  -2.608
   13    HA   ASP  23           HA       ASP  23 -12.810   1.098  -1.893
   14   1HB   ASP  23          1HB       ASP  23 -12.236   2.324  -4.618
   15   2HB   ASP  23          2HB       ASP  23 -12.729   0.647  -4.337
   16    H    ALA  24           H        ALA  24 -11.111   0.381  -0.777
   17    HA   ALA  24           HA       ALA  24  -8.604   1.307  -0.698
   18   1HB   ALA  24          1HB       ALA  24  -9.334  -1.598  -0.258
   19   2HB   ALA  24          2HB       ALA  24  -7.963  -0.676   0.428
   20   3HB   ALA  24          3HB       ALA  24  -9.629  -0.302   0.914
   21    H    GLU  25           H        GLU  25  -9.547  -1.596  -2.628
   22    HA   GLU  25           HA       GLU  25  -6.937  -1.946  -3.693
   23   1HB   GLU  25          1HB       GLU  25  -7.760  -3.567  -5.069
   24   2HB   GLU  25          2HB       GLU  25  -8.931  -3.607  -3.746
   25   1HG   GLU  25          1HG       GLU  25 -10.453  -2.187  -5.147
   26   2HG   GLU  25          2HG       GLU  25  -9.261  -2.298  -6.491
   27    H    ALA  26           H        ALA  26  -9.718   0.088  -4.781
   28    HA   ALA  26           HA       ALA  26  -8.659   0.770  -7.319
   29   1HB   ALA  26          1HB       ALA  26 -10.331   2.641  -5.645
   30   2HB   ALA  26          2HB       ALA  26 -10.195   2.546  -7.399
   31   3HB   ALA  26          3HB       ALA  26 -11.012   1.237  -6.519
   32    H    VAL  27           H        VAL  27  -8.261   2.315  -4.100
   33    HA   VAL  27           HA       VAL  27  -6.411   4.413  -4.862
   34    HB   VAL  27           HB       VAL  27  -6.279   2.701  -2.335
   35   1HG1  VAL  27          1HG1      VAL  27  -4.239   4.043  -2.792
   36   2HG1  VAL  27          2HG1      VAL  27  -5.246   5.501  -2.926
   37   3HG1  VAL  27          3HG1      VAL  27  -5.122   4.627  -1.386
   38   1HG2  VAL  27          1HG2      VAL  27  -8.514   3.690  -2.456
   39   2HG2  VAL  27          2HG2      VAL  27  -7.544   4.547  -1.258
   40   3HG2  VAL  27          3HG2      VAL  27  -7.816   5.275  -2.857
   41    H    VAL  28           H        VAL  28  -5.657   0.944  -3.892
   42    HA   VAL  28           HA       VAL  28  -2.982   1.632  -4.420
   43    HB   VAL  28           HB       VAL  28  -4.339  -1.017  -3.896
   44   1HG1  VAL  28          1HG1      VAL  28  -1.380  -0.366  -3.931
   45   2HG1  VAL  28          2HG1      VAL  28  -2.039  -1.811  -3.231
   46   3HG1  VAL  28          3HG1      VAL  28  -2.268  -1.515  -4.964
   47   1HG2  VAL  28          1HG2      VAL  28  -3.365   1.328  -2.301
   48   2HG2  VAL  28          2HG2      VAL  28  -4.559   0.078  -1.908
   49   3HG2  VAL  28          3HG2      VAL  28  -2.814  -0.197  -1.696
   50    H    GLN  29           H        GLN  29  -5.252   0.002  -6.337
   51    HA   GLN  29           HA       GLN  29  -3.837  -0.524  -8.735
   52   1HB   GLN  29          1HB       GLN  29  -6.772  -0.150  -8.044
   53   2HB   GLN  29          2HB       GLN  29  -6.258  -0.671  -9.617
   54   1HG   GLN  29          1HG       GLN  29  -5.666  -2.175  -7.044
   55   2HG   GLN  29          2HG       GLN  29  -6.899  -2.582  -8.239
   56   1HE2  GLN  29          1HE2      GLN  29  -4.165  -3.828  -7.219
   57   2HE2  GLN  29          2HE2      GLN  29  -3.320  -4.183  -8.722
   58    H    GLN  30           H        GLN  30  -4.455   2.551  -7.421
   59    HA   GLN  30           HA       GLN  30  -3.688   3.573 -10.110
   60   1HB   GLN  30          1HB       GLN  30  -6.231   4.009  -8.951
   61   2HB   GLN  30          2HB       GLN  30  -5.353   5.516  -8.683
   62   1HG   GLN  30          1HG       GLN  30  -4.765   5.547 -11.130
   63   2HG   GLN  30          2HG       GLN  30  -5.623   4.009 -11.335
   64   1HE2  GLN  30          1HE2      GLN  30  -6.125   7.423 -10.296
   65   2HE2  GLN  30          2HE2      GLN  30  -7.801   7.471 -10.828
   66    H    LYS  31           H        LYS  31  -3.084   3.735  -6.710
   67    HA   LYS  31           HA       LYS  31  -1.456   6.193  -7.020
   68   1HB   LYS  31          1HB       LYS  31  -3.285   5.172  -4.991
   69   2HB   LYS  31          2HB       LYS  31  -1.718   5.295  -4.301
   70   1HG   LYS  31          1HG       LYS  31  -2.611   7.366  -3.875
   71   2HG   LYS  31          2HG       LYS  31  -1.738   7.737  -5.373
   72   1HD   LYS  31          1HD       LYS  31  -3.886   7.370  -6.641
   73   2HD   LYS  31          2HD       LYS  31  -4.683   7.000  -5.099
   74   1HE   LYS  31          1HE       LYS  31  -3.538   9.431  -4.480
   75   2HE   LYS  31          2HE       LYS  31  -3.821   9.651  -6.213
   76   1HZ   LYS  31          1HZ       LYS  31  -6.170   9.038  -5.721
   77   2HZ   LYS  31          2HZ       LYS  31  -5.779   8.934  -4.123
   78   3HZ   LYS  31          3HZ       LYS  31  -5.680  10.369  -4.870
   79    H    CYS  32           H        CYS  32  -1.203   2.703  -6.480
   80    HA   CYS  32           HA       CYS  32   1.629   3.039  -5.583
   81   1HB   CYS  32          1HB       CYS  32  -0.072   0.642  -5.182
   82   2HB   CYS  32          2HB       CYS  32   1.310   1.129  -4.226
   83    H    ILE  33           H        ILE  33  -0.551   1.031  -7.602
   84    HA   ILE  33           HA       ILE  33   1.297  -0.737  -8.657
   85    HB   ILE  33           HB       ILE  33  -0.046  -0.780 -10.709
   86   1HG1  ILE  33          1HG1      ILE  33  -1.903   1.296  -9.512
   87   2HG1  ILE  33          2HG1      ILE  33  -0.642   1.746 -10.655
   88   1HG2  ILE  33          1HG2      ILE  33  -2.084  -1.648  -9.661
   89   2HG2  ILE  33          2HG2      ILE  33  -0.656  -2.110  -8.742
   90   3HG2  ILE  33          3HG2      ILE  33  -1.675  -0.817  -8.145
   91   1HD1  ILE  33          1HD1      ILE  33  -2.850  -0.225 -11.280
   92   2HD1  ILE  33          2HD1      ILE  33  -2.659   1.432 -11.891
   93   3HD1  ILE  33          3HD1      ILE  33  -1.486   0.187 -12.341
   94    H    SER  34           H        SER  34   0.965   2.642  -9.359
   95    HA   SER  34           HA       SER  34   2.378   3.239 -11.580
   96   1HB   SER  34          1HB       SER  34   1.419   4.813  -9.825
   97   2HB   SER  34          2HB       SER  34   2.884   4.535  -8.864
   98    HG   SER  34           HG       SER  34   2.791   5.572 -11.514
   99    H    CYS  35           H        CYS  35   3.814   2.101  -8.485
  100    HA   CYS  35           HA       CYS  35   6.395   1.685  -9.935
  101   1HB   CYS  35          1HB       CYS  35   6.300   2.004  -6.933
  102   2HB   CYS  35          2HB       CYS  35   7.637   2.157  -8.056
  103    H    HIS  36           H        HIS  36   4.153   0.378  -7.425
  104    HA   HIS  36           HA       HIS  36   5.698  -2.036  -7.122
  105   1HB   HIS  36          1HB       HIS  36   2.915  -1.225  -6.281
  106   2HB   HIS  36          2HB       HIS  36   3.618  -2.808  -5.908
  107    HD1  HIS  36           1HD      HIS  36   5.770  -2.846  -4.215
  108    HD2  HIS  36           2HD      HIS  36   3.779   0.849  -4.758
  109    HE1  HIS  36           1HE      HIS  36   6.492  -1.320  -2.316
  110    H    GLY  37           H        GLY  37   3.492  -1.131  -9.641
  111   1HA   GLY  37          1HA       GLY  37   3.178  -2.310 -11.593
  112   2HA   GLY  37          2HA       GLY  37   3.775  -3.806 -10.858
  113    H    GLY  38           H        GLY  38   1.368  -3.552 -12.418
  114   1HA   GLY  38          1HA       GLY  38  -1.036  -3.003 -11.394
  115   2HA   GLY  38          2HA       GLY  38  -0.765  -4.418 -12.409
  116    H    ASP  39           H        ASP  39   0.235  -6.373 -11.046
  117    HA   ASP  39           HA       ASP  39  -1.768  -7.044  -9.077
  118   1HB   ASP  39          1HB       ASP  39   0.678  -8.498 -10.149
  119   2HB   ASP  39          2HB       ASP  39  -0.464  -9.198  -8.990
  120    H    LEU  40           H        LEU  40   0.964  -5.177  -8.662
  121    HA   LEU  40           HA       LEU  40   2.207  -4.491  -6.888
  122   1HB   LEU  40          1HB       LEU  40   0.132  -5.903  -5.198
  123   2HB   LEU  40          2HB       LEU  40   1.249  -4.646  -4.697
  124    HG   LEU  40           HG       LEU  40  -0.282  -3.837  -7.131
  125   1HD1  LEU  40          1HD1      LEU  40  -1.795  -4.482  -4.605
  126   2HD1  LEU  40          2HD1      LEU  40  -2.418  -3.523  -5.977
  127   3HD1  LEU  40          3HD1      LEU  40  -2.016  -5.233  -6.197
  128   1HD2  LEU  40          1HD2      LEU  40  -0.175  -2.526  -4.464
  129   2HD2  LEU  40          2HD2      LEU  40   1.179  -2.445  -5.601
  130   3HD2  LEU  40          3HD2      LEU  40  -0.389  -1.785  -6.071
  131    H    THR  41           H        THR  41   2.658  -7.023  -8.272
  132    HA   THR  41           HA       THR  41   4.008  -8.864  -6.535
  133    HB   THR  41           HB       THR  41   4.673  -9.588  -9.001
  134    HG1  THR  41           1HG      THR  41   3.119  -8.671 -10.484
  135   1HG2  THR  41          1HG2      THR  41   2.384 -10.566  -9.325
  136   2HG2  THR  41          2HG2      THR  41   2.984 -10.777  -7.669
  137   3HG2  THR  41          3HG2      THR  41   1.776  -9.528  -8.018
  138    H    GLY  42           H        GLY  42   4.806  -5.723  -7.811
  139   1HA   GLY  42          1HA       GLY  42   6.574  -4.655  -6.859
  140   2HA   GLY  42          2HA       GLY  42   7.482  -6.158  -6.653
  141    H    ALA  43           H        ALA  43   6.344  -3.855  -9.116
  142    HA   ALA  43           HA       ALA  43   8.266  -4.802 -11.113
  143   1HB   ALA  43          1HB       ALA  43   7.406  -2.904 -12.461
  144   2HB   ALA  43          2HB       ALA  43   6.143  -3.995 -11.862
  145   3HB   ALA  43          3HB       ALA  43   6.378  -2.419 -11.096
  146    H    SER  44           H        SER  44   7.914  -1.425 -10.021
  147    HA   SER  44           HA       SER  44  10.865  -1.021 -10.073
  148   1HB   SER  44          1HB       SER  44   8.449   0.792 -10.244
  149   2HB   SER  44          2HB       SER  44  10.017   1.441  -9.765
  150    HG   SER  44           HG       SER  44   9.655  -0.133 -12.094
  151    H    ALA  45           H        ALA  45   8.781  -2.152  -7.830
  152    HA   ALA  45           HA       ALA  45  10.232  -1.045  -5.524
  153   1HB   ALA  45          1HB       ALA  45   8.273   0.467  -5.871
  154   2HB   ALA  45          2HB       ALA  45   7.205  -0.934  -5.906
  155   3HB   ALA  45          3HB       ALA  45   8.064  -0.520  -4.416
  156    HA   PRO  46           HA       PRO  46   9.829  -5.333  -4.572
  157   1HB   PRO  46          1HB       PRO  46   9.338  -5.502  -1.852
  158   2HB   PRO  46          2HB       PRO  46  10.912  -5.038  -2.559
  159   1HG   PRO  46          1HG       PRO  46   8.705  -3.206  -1.605
  160   2HG   PRO  46          2HG       PRO  46  10.440  -3.145  -1.167
  161   1HD   PRO  46          1HD       PRO  46   9.442  -1.555  -3.106
  162   2HD   PRO  46          2HD       PRO  46  11.017  -2.350  -3.369
  163    H    ALA  47           H        ALA  47   8.365  -7.056  -3.901
  164    HA   ALA  47           HA       ALA  47   5.695  -6.635  -4.801
  165   1HB   ALA  47          1HB       ALA  47   5.372  -8.980  -4.211
  166   2HB   ALA  47          2HB       ALA  47   6.976  -8.803  -4.953
  167   3HB   ALA  47          3HB       ALA  47   6.832  -8.977  -3.202
  168    H    ILE  48           H        ILE  48   4.101  -5.650  -3.650
  169    HA   ILE  48           HA       ILE  48   4.103  -6.038  -0.681
  170    HB   ILE  48           HB       ILE  48   2.784  -4.049  -0.377
  171   1HG1  ILE  48          1HG1      ILE  48   3.304  -2.214  -2.239
  172   2HG1  ILE  48          2HG1      ILE  48   3.211  -3.582  -3.339
  173   1HG2  ILE  48          1HG2      ILE  48   5.429  -3.553  -1.666
  174   2HG2  ILE  48          2HG2      ILE  48   4.531  -2.548  -0.479
  175   3HG2  ILE  48          3HG2      ILE  48   5.149  -4.135   0.015
  176   1HD1  ILE  48          1HD1      ILE  48   1.209  -2.779  -1.178
  177   2HD1  ILE  48          2HD1      ILE  48   1.099  -2.192  -2.826
  178   3HD1  ILE  48          3HD1      ILE  48   0.862  -3.941  -2.488
  179    H    ASP  49           H        ASP  49   2.667  -7.213  -3.441
  180    HA   ASP  49           HA       ASP  49   0.068  -7.488  -2.577
  181   1HB   ASP  49          1HB       ASP  49  -0.124  -8.909  -4.296
  182   2HB   ASP  49          2HB       ASP  49   1.546  -8.563  -4.635
  183    H    LYS  50           H        LYS  50   2.930  -9.087  -1.236
  184    HA   LYS  50           HA       LYS  50   1.273 -10.585   0.746
  185   1HB   LYS  50          1HB       LYS  50   4.010 -10.960  -0.383
  186   2HB   LYS  50          2HB       LYS  50   3.855 -11.278   1.340
  187   1HG   LYS  50          1HG       LYS  50   3.441 -13.336   0.177
  188   2HG   LYS  50          2HG       LYS  50   1.928 -12.798   0.934
  189   1HD   LYS  50          1HD       LYS  50   1.270 -11.751  -1.255
  190   2HD   LYS  50          2HD       LYS  50   2.777 -12.374  -1.956
  191   1HE   LYS  50          1HE       LYS  50   1.898 -14.701  -1.506
  192   2HE   LYS  50          2HE       LYS  50   0.400 -13.960  -0.893
  193   1HZ   LYS  50          1HZ       LYS  50   0.080 -14.451  -3.192
  194   2HZ   LYS  50          2HZ       LYS  50   0.268 -12.806  -3.077
  195   3HZ   LYS  50          3HZ       LYS  50   1.496 -13.696  -3.618
  196    H    ALA  51           H        ALA  51   2.183  -7.482   0.633
  197    HA   ALA  51           HA       ALA  51   3.787  -7.190   2.933
  198   1HB   ALA  51          1HB       ALA  51   2.971  -4.850   2.983
  199   2HB   ALA  51          2HB       ALA  51   3.588  -5.404   1.409
  200   3HB   ALA  51          3HB       ALA  51   1.844  -5.297   1.686
  201    H    GLY  52           H        GLY  52   0.048  -7.462   2.794
  202   1HA   GLY  52          1HA       GLY  52  -0.253  -7.024   5.539
  203   2HA   GLY  52          2HA       GLY  52  -1.237  -8.073   4.507
  204    H    ALA  53           H        ALA  53   1.088  -9.892   3.876
  205    HA   ALA  53           HA       ALA  53   0.902 -11.621   6.228
  206   1HB   ALA  53          1HB       ALA  53   2.724 -11.932   3.803
  207   2HB   ALA  53          2HB       ALA  53   2.281 -13.153   4.995
  208   3HB   ALA  53          3HB       ALA  53   1.058 -12.533   3.879
  209    H    ASN  54           H        ASN  54   3.370  -9.622   4.623
  210    HA   ASN  54           HA       ASN  54   5.503 -10.400   6.403
  211   1HB   ASN  54          1HB       ASN  54   5.308  -7.972   4.579
  212   2HB   ASN  54          2HB       ASN  54   6.785  -8.609   5.309
  213   1HD2  ASN  54          1HD2      ASN  54   6.384  -8.235   2.474
  214   2HD2  ASN  54          2HD2      ASN  54   6.460  -9.830   1.751
  215    H    TYR  55           H        TYR  55   3.224  -7.697   6.382
  216    HA   TYR  55           HA       TYR  55   4.299  -6.567   8.906
  217   1HB   TYR  55          1HB       TYR  55   3.632  -4.991   6.383
  218   2HB   TYR  55          2HB       TYR  55   4.191  -4.329   7.915
  219    HD1  TYR  55           1HD      TYR  55   5.272  -4.354   4.821
  220    HD2  TYR  55           2HD      TYR  55   6.526  -5.910   8.645
  221    HE1  TYR  55           1HE      TYR  55   7.651  -4.211   4.114
  222    HE2  TYR  55           2HE      TYR  55   8.877  -5.794   7.923
  223    HH   TYR  55           HH       TYR  55  10.339  -5.140   6.266
  224    H    SER  56           H        SER  56   2.675  -5.052   9.856
  225    HA   SER  56           HA       SER  56  -0.066  -6.114   9.369
  226   1HB   SER  56          1HB       SER  56   1.170  -4.604  11.689
  227   2HB   SER  56          2HB       SER  56  -0.536  -5.097  11.595
  228    HG   SER  56           HG       SER  56   0.777  -6.577  12.710
  229    H    GLU  57           H        GLU  57  -1.867  -4.558   9.641
  230    HA   GLU  57           HA       GLU  57  -1.924  -2.601   7.667
  231   1HB   GLU  57          1HB       GLU  57  -3.944  -1.732   8.963
  232   2HB   GLU  57          2HB       GLU  57  -4.021  -3.380   8.372
  233   1HG   GLU  57          1HG       GLU  57  -3.116  -2.924  11.228
  234   2HG   GLU  57          2HG       GLU  57  -4.812  -2.772  10.788
  235    H    GLU  58           H        GLU  58  -1.176  -2.167  11.140
  236    HA   GLU  58           HA       GLU  58  -0.965   0.615  11.236
  237   1HB   GLU  58          1HB       GLU  58   0.474   0.213  13.212
  238   2HB   GLU  58          2HB       GLU  58  -0.958  -0.817  13.179
  239   1HG   GLU  58          1HG       GLU  58   0.713  -2.545  12.012
  240   2HG   GLU  58          2HG       GLU  58   1.931  -1.572  12.847
  241    H    GLU  59           H        GLU  59   1.687  -1.696  10.525
  242    HA   GLU  59           HA       GLU  59   3.760   0.152  10.015
  243   1HB   GLU  59          1HB       GLU  59   3.154  -2.611   8.884
  244   2HB   GLU  59          2HB       GLU  59   4.689  -1.790   8.632
  245   1HG   GLU  59          1HG       GLU  59   3.740  -2.215  11.476
  246   2HG   GLU  59          2HG       GLU  59   4.406  -3.569  10.554
  247    H    ILE  60           H        ILE  60   1.416  -1.405   7.832
  248    HA   ILE  60           HA       ILE  60   2.487  -0.318   5.406
  249    HB   ILE  60           HB       ILE  60  -0.239  -1.467   6.108
  250   1HG1  ILE  60          1HG1      ILE  60   1.924  -2.692   4.368
  251   2HG1  ILE  60          2HG1      ILE  60   1.989  -2.862   6.125
  252   1HG2  ILE  60          1HG2      ILE  60  -0.622  -0.063   4.190
  253   2HG2  ILE  60          2HG2      ILE  60   0.880  -0.599   3.406
  254   3HG2  ILE  60          3HG2      ILE  60  -0.491  -1.709   3.578
  255   1HD1  ILE  60          1HD1      ILE  60  -0.236  -3.917   6.149
  256   2HD1  ILE  60          2HD1      ILE  60  -0.291  -3.839   4.376
  257   3HD1  ILE  60          3HD1      ILE  60   0.948  -4.810   5.183
  258    H    LEU  61           H        LEU  61  -0.239   0.665   7.466
  259    HA   LEU  61           HA       LEU  61  -1.168   2.903   6.084
  260   1HB   LEU  61          1HB       LEU  61  -2.186   1.844   8.090
  261   2HB   LEU  61          2HB       LEU  61  -0.915   2.452   9.108
  262    HG   LEU  61           HG       LEU  61  -1.594   4.730   8.825
  263   1HD1  LEU  61          1HD1      LEU  61  -3.682   5.279   7.482
  264   2HD1  LEU  61          2HD1      LEU  61  -2.276   4.831   6.510
  265   3HD1  LEU  61          3HD1      LEU  61  -3.574   3.647   6.790
  266   1HD2  LEU  61          1HD2      LEU  61  -3.837   4.641   9.816
  267   2HD2  LEU  61          2HD2      LEU  61  -4.036   2.964   9.263
  268   3HD2  LEU  61          3HD2      LEU  61  -2.807   3.360  10.486
  269    H    ASP  62           H        ASP  62   1.293   2.674   8.698
  270    HA   ASP  62           HA       ASP  62   1.884   5.460   8.699
  271   1HB   ASP  62          1HB       ASP  62   2.497   3.923  10.543
  272   2HB   ASP  62          2HB       ASP  62   3.728   3.178   9.504
  273    H    ILE  63           H        ILE  63   3.314   2.717   6.926
  274    HA   ILE  63           HA       ILE  63   5.430   4.228   5.696
  275    HB   ILE  63           HB       ILE  63   4.176   1.537   5.342
  276   1HG1  ILE  63          1HG1      ILE  63   7.079   2.299   4.961
  277   2HG1  ILE  63          2HG1      ILE  63   6.370   2.286   6.583
  278   1HG2  ILE  63          1HG2      ILE  63   5.606   2.821   2.990
  279   2HG2  ILE  63          2HG2      ILE  63   5.359   1.092   3.207
  280   3HG2  ILE  63          3HG2      ILE  63   3.957   2.136   3.037
  281   1HD1  ILE  63          1HD1      ILE  63   7.513   0.156   6.011
  282   2HD1  ILE  63          2HD1      ILE  63   5.804  -0.045   6.442
  283   3HD1  ILE  63          3HD1      ILE  63   6.316  -0.145   4.744
  284    H    ILE  64           H        ILE  64   2.052   3.663   4.642
  285    HA   ILE  64           HA       ILE  64   2.361   4.981   2.102
  286    HB   ILE  64           HB       ILE  64  -0.027   4.566   3.934
  287   1HG1  ILE  64          1HG1      ILE  64   0.712   3.240   1.302
  288   2HG1  ILE  64          2HG1      ILE  64   1.240   2.590   2.847
  289   1HG2  ILE  64          1HG2      ILE  64  -1.390   5.080   1.864
  290   2HG2  ILE  64          2HG2      ILE  64  -0.594   6.474   2.580
  291   3HG2  ILE  64          3HG2      ILE  64   0.092   5.731   1.126
  292   1HD1  ILE  64          1HD1      ILE  64  -0.728   1.405   2.344
  293   2HD1  ILE  64          2HD1      ILE  64  -1.181   2.546   3.616
  294   3HD1  ILE  64          3HD1      ILE  64  -1.624   2.881   1.926
  295    H    LEU  65           H        LEU  65   1.280   6.159   5.299
  296    HA   LEU  65           HA       LEU  65   0.830   8.850   4.443
  297   1HB   LEU  65          1HB       LEU  65   1.418   7.643   7.155
  298   2HB   LEU  65          2HB       LEU  65   0.864   9.302   6.910
  299    HG   LEU  65           HG       LEU  65  -0.838   6.945   5.898
  300   1HD1  LEU  65          1HD1      LEU  65  -2.040   7.106   8.050
  301   2HD1  LEU  65          2HD1      LEU  65  -0.353   6.628   8.328
  302   3HD1  LEU  65          3HD1      LEU  65  -0.863   8.295   8.644
  303   1HD2  LEU  65          1HD2      LEU  65  -2.627   8.561   6.158
  304   2HD2  LEU  65          2HD2      LEU  65  -1.472   9.803   6.691
  305   3HD2  LEU  65          3HD2      LEU  65  -1.376   9.136   5.037
  306    H    ASN  66           H        ASN  66   3.698   7.214   5.700
  307    HA   ASN  66           HA       ASN  66   5.228   9.693   6.104
  308   1HB   ASN  66          1HB       ASN  66   5.750   6.739   6.638
  309   2HB   ASN  66          2HB       ASN  66   7.007   7.927   6.781
  310   1HD2  ASN  66          1HD2      ASN  66   3.725   7.258   7.894
  311   2HD2  ASN  66          2HD2      ASN  66   4.039   7.596   9.561
  312    H    GLY  67           H        GLY  67   5.398   6.783   4.046
  313   1HA   GLY  67          1HA       GLY  67   6.388   6.653   1.900
  314   2HA   GLY  67          2HA       GLY  67   7.425   8.036   2.261
  315    H    GLN  68           H        GLN  68   7.345   4.662   2.114
  316    HA   GLN  68           HA       GLN  68   9.550   3.982   3.849
  317   1HB   GLN  68          1HB       GLN  68   8.271   2.123   2.665
  318   2HB   GLN  68          2HB       GLN  68   8.598   2.931   1.150
  319   1HG   GLN  68          1HG       GLN  68   9.791   0.939   1.574
  320   2HG   GLN  68          2HG       GLN  68  10.892   2.278   1.180
  321   1HE2  GLN  68          1HE2      GLN  68  10.833  -0.542   2.745
  322   2HE2  GLN  68          2HE2      GLN  68  11.802  -0.115   4.143
  323    H    GLY  69           H        GLY  69  11.860   3.940   3.129
  324   1HA   GLY  69          1HA       GLY  69  13.038   6.214   2.645
  325   2HA   GLY  69          2HA       GLY  69  13.737   4.741   1.971
  326    H    GLY  70           H        GLY  70  12.654   4.158  -0.324
  327   1HA   GLY  70          1HA       GLY  70  13.225   6.490  -2.036
  328   2HA   GLY  70          2HA       GLY  70  13.021   4.806  -2.523
  329    H    MET  71           H        MET  71  10.433   5.587  -0.543
  330    HA   MET  71           HA       MET  71   8.645   5.670  -2.888
  331   1HB   MET  71          1HB       MET  71   8.498   3.791  -1.399
  332   2HB   MET  71          2HB       MET  71   8.374   4.842   0.000
  333   1HG   MET  71          1HG       MET  71   6.255   5.591  -0.464
  334   2HG   MET  71          2HG       MET  71   6.196   4.875  -2.072
  335   1HE   MET  71          1HE       MET  71   4.613   4.630   1.091
  336   2HE   MET  71          2HE       MET  71   3.828   4.303  -0.465
  337   3HE   MET  71          3HE       MET  71   3.857   3.054   0.801
  338    HA   PRO  72           HA       PRO  72   7.543   9.857  -1.507
  339   1HB   PRO  72          1HB       PRO  72   5.219  10.208  -2.974
  340   2HB   PRO  72          2HB       PRO  72   6.872  10.410  -3.616
  341   1HG   PRO  72          1HG       PRO  72   5.093   7.980  -3.867
  342   2HG   PRO  72          2HG       PRO  72   6.087   8.761  -5.124
  343   1HD   PRO  72          1HD       PRO  72   6.847   6.538  -3.753
  344   2HD   PRO  72          2HD       PRO  72   8.060   7.780  -4.228
  345    H    GLY  73           H        GLY  73   6.309  10.569   0.211
  346   1HA   GLY  73          1HA       GLY  73   4.573   8.616   1.569
  347   2HA   GLY  73          2HA       GLY  73   5.446  10.004   2.258
  348    H    GLY  74           H        GLY  74   2.615   9.253   2.255
  349   1HA   GLY  74          1HA       GLY  74   0.644  10.483   2.468
  350   2HA   GLY  74          2HA       GLY  74   1.499  11.941   1.919
  351    H    ILE  75           H        ILE  75   1.813   9.126  -0.059
  352    HA   ILE  75           HA       ILE  75   0.571  10.165  -2.382
  353    HB   ILE  75           HB       ILE  75   1.416   7.431  -1.380
  354   1HG1  ILE  75          1HG1      ILE  75   3.058   9.214  -2.172
  355   2HG1  ILE  75          2HG1      ILE  75   3.174   7.601  -2.890
  356   1HG2  ILE  75          1HG2      ILE  75   1.042   6.498  -3.657
  357   2HG2  ILE  75          2HG2      ILE  75  -0.442   6.808  -2.748
  358   3HG2  ILE  75          3HG2      ILE  75   0.058   7.925  -4.038
  359   1HD1  ILE  75          1HD1      ILE  75   1.726   9.922  -4.259
  360   2HD1  ILE  75          2HD1      ILE  75   3.419   9.516  -4.539
  361   3HD1  ILE  75          3HD1      ILE  75   2.163   8.351  -4.961
  362    H    ALA  76           H        ALA  76  -0.728   8.418   0.403
  363    HA   ALA  76           HA       ALA  76  -3.400   9.120  -0.512
  364   1HB   ALA  76          1HB       ALA  76  -3.408   6.794  -1.149
  365   2HB   ALA  76          2HB       ALA  76  -2.514   6.316   0.306
  366   3HB   ALA  76          3HB       ALA  76  -4.192   6.849   0.446
  367    H    LYS  77           H        LYS  77  -4.732   9.602   1.351
  368    HA   LYS  77           HA       LYS  77  -3.421   9.404   4.006
  369   1HB   LYS  77          1HB       LYS  77  -3.847  11.932   2.449
  370   2HB   LYS  77          2HB       LYS  77  -4.280  11.981   4.162
  371   1HG   LYS  77          1HG       LYS  77  -2.106  11.298   4.864
  372   2HG   LYS  77          2HG       LYS  77  -1.575  10.983   3.200
  373   1HD   LYS  77          1HD       LYS  77  -1.647  13.315   2.644
  374   2HD   LYS  77          2HD       LYS  77  -2.440  13.722   4.186
  375   1HE   LYS  77          1HE       LYS  77  -0.431  12.936   5.441
  376   2HE   LYS  77          2HE       LYS  77   0.370  12.517   3.925
  377   1HZ   LYS  77          1HZ       LYS  77   0.306  14.844   3.322
  378   2HZ   LYS  77          2HZ       LYS  77  -0.433  15.228   4.745
  379   3HZ   LYS  77          3HZ       LYS  77   1.095  14.623   4.747
  380    H    GLY  78           H        GLY  78  -4.734   9.847   5.813
  381   1HA   GLY  78          1HA       GLY  78  -6.588   9.392   7.059
  382   2HA   GLY  78          2HA       GLY  78  -7.474  10.351   5.858
  383    H    ALA  79           H        ALA  79  -9.283   9.106   5.640
  384    HA   ALA  79           HA       ALA  79  -9.799   6.480   5.663
  385   1HB   ALA  79          1HB       ALA  79 -11.635   6.889   4.078
  386   2HB   ALA  79          2HB       ALA  79 -11.499   8.199   5.266
  387   3HB   ALA  79          3HB       ALA  79 -10.899   8.436   3.606
  388    H    GLU  80           H        GLU  80  -8.163   8.133   2.970
  389    HA   GLU  80           HA       GLU  80  -8.322   6.033   1.043
  390   1HB   GLU  80          1HB       GLU  80  -7.682   8.584   0.893
  391   2HB   GLU  80          2HB       GLU  80  -6.065   8.017   1.302
  392   1HG   GLU  80          1HG       GLU  80  -6.118   6.579  -0.742
  393   2HG   GLU  80          2HG       GLU  80  -7.731   7.208  -1.110
  394    H    ALA  81           H        ALA  81  -5.635   6.976   3.375
  395    HA   ALA  81           HA       ALA  81  -4.042   4.692   2.623
  396   1HB   ALA  81          1HB       ALA  81  -3.107   6.849   3.426
  397   2HB   ALA  81          2HB       ALA  81  -3.807   6.539   5.030
  398   3HB   ALA  81          3HB       ALA  81  -2.558   5.456   4.361
  399    H    GLU  82           H        GLU  82  -6.334   5.478   5.266
  400    HA   GLU  82           HA       GLU  82  -5.889   3.183   6.890
  401   1HB   GLU  82          1HB       GLU  82  -8.381   4.852   6.380
  402   2HB   GLU  82          2HB       GLU  82  -8.229   3.661   7.673
  403   1HG   GLU  82          1HG       GLU  82  -6.474   4.901   8.753
  404   2HG   GLU  82          2HG       GLU  82  -6.313   6.024   7.400
  405    H    ALA  83           H        ALA  83  -8.228   3.746   4.212
  406    HA   ALA  83           HA       ALA  83  -9.363   1.168   4.111
  407   1HB   ALA  83          1HB       ALA  83 -10.269   3.069   2.849
  408   2HB   ALA  83          2HB       ALA  83  -8.822   3.108   1.815
  409   3HB   ALA  83          3HB       ALA  83  -9.917   1.720   1.773
  410    H    VAL  84           H        VAL  84  -6.453   2.495   2.376
  411    HA   VAL  84           HA       VAL  84  -5.712   0.074   1.171
  412    HB   VAL  84           HB       VAL  84  -3.739   2.099   2.335
  413   1HG1  VAL  84          1HG1      VAL  84  -3.557  -0.304   0.520
  414   2HG1  VAL  84          2HG1      VAL  84  -2.289   0.913   0.549
  415   3HG1  VAL  84          3HG1      VAL  84  -2.621  -0.018   2.006
  416   1HG2  VAL  84          1HG2      VAL  84  -4.940   3.244   0.592
  417   2HG2  VAL  84          2HG2      VAL  84  -3.420   2.674  -0.102
  418   3HG2  VAL  84          3HG2      VAL  84  -4.937   1.804  -0.441
  419    H    ALA  85           H        ALA  85  -4.584   1.258   4.391
  420    HA   ALA  85           HA       ALA  85  -2.942  -0.829   5.102
  421   1HB   ALA  85          1HB       ALA  85  -3.335   1.285   6.326
  422   2HB   ALA  85          2HB       ALA  85  -4.863   0.650   6.963
  423   3HB   ALA  85          3HB       ALA  85  -3.338  -0.138   7.392
  424    H    ALA  86           H        ALA  86  -6.452  -0.619   5.875
  425    HA   ALA  86           HA       ALA  86  -6.682  -3.191   7.058
  426   1HB   ALA  86          1HB       ALA  86  -8.761  -1.552   5.545
  427   2HB   ALA  86          2HB       ALA  86  -9.102  -2.939   6.605
  428   3HB   ALA  86          3HB       ALA  86  -8.394  -1.457   7.282
  429    H    TRP  87           H        TRP  87  -7.274  -2.183   3.644
  430    HA   TRP  87           HA       TRP  87  -8.060  -4.781   2.740
  431   1HB   TRP  87          1HB       TRP  87  -8.738  -2.900   1.526
  432   2HB   TRP  87          2HB       TRP  87  -7.083  -2.262   1.493
  433    HD1  TRP  87           HD       TRP  87  -9.243  -4.730  -0.472
  434    HE1  TRP  87           1HE      TRP  87  -7.920  -5.546  -2.499
  435    HE3  TRP  87           3HE      TRP  87  -4.992  -2.074   0.309
  436    HZ2  TRP  87           2HZ      TRP  87  -5.049  -5.112  -3.550
  437    HZ3  TRP  87           3HZ      TRP  87  -3.152  -2.172  -1.327
  438    HH2  TRP  87           HH       TRP  87  -3.289  -3.595  -3.318
  439    H    LEU  88           H        LEU  88  -4.921  -3.079   2.289
  440    HA   LEU  88           HA       LEU  88  -3.584  -5.204   1.021
  441   1HB   LEU  88          1HB       LEU  88  -2.968  -2.570   1.805
  442   2HB   LEU  88          2HB       LEU  88  -1.805  -3.532   2.677
  443    HG   LEU  88           HG       LEU  88  -2.182  -4.031  -0.324
  444   1HD1  LEU  88          1HD1      LEU  88  -0.216  -2.018   0.657
  445   2HD1  LEU  88          2HD1      LEU  88  -0.882  -2.358  -0.990
  446   3HD1  LEU  88          3HD1      LEU  88  -1.843  -1.525   0.199
  447   1HD2  LEU  88          1HD2      LEU  88   0.194  -4.195   1.324
  448   2HD2  LEU  88          2HD2      LEU  88  -0.900  -5.589   0.976
  449   3HD2  LEU  88          3HD2      LEU  88  -0.134  -4.725  -0.373
  450    H    ALA  89           H        ALA  89  -4.034  -4.454   4.474
  451    HA   ALA  89           HA       ALA  89  -2.471  -6.603   5.517
  452   1HB   ALA  89          1HB       ALA  89  -3.197  -4.911   6.983
  453   2HB   ALA  89          2HB       ALA  89  -4.915  -5.281   6.697
  454   3HB   ALA  89          3HB       ALA  89  -3.871  -6.459   7.509
  455    H    GLU  90           H        GLU  90  -6.037  -6.455   4.732
  456    HA   GLU  90           HA       GLU  90  -6.315  -9.221   5.412
  457   1HB   GLU  90          1HB       GLU  90  -8.560  -8.928   5.125
  458   2HB   GLU  90          2HB       GLU  90  -8.016  -7.281   5.456
  459   1HG   GLU  90          1HG       GLU  90  -9.464  -6.943   3.684
  460   2HG   GLU  90          2HG       GLU  90  -7.934  -7.098   2.817
  461    H    LYS  91           H        LYS  91  -5.015  -7.804   2.569
  462    HA   LYS  91           HA       LYS  91  -6.151  -9.492   0.585
  463   1HB   LYS  91          1HB       LYS  91  -5.031  -7.238   0.379
  464   2HB   LYS  91          2HB       LYS  91  -3.475  -8.003   0.633
  465   1HG   LYS  91          1HG       LYS  91  -5.444  -8.646  -1.625
  466   2HG   LYS  91          2HG       LYS  91  -4.122  -7.472  -1.735
  467   1HD   LYS  91          1HD       LYS  91  -2.906  -9.826  -0.729
  468   2HD   LYS  91          2HD       LYS  91  -3.995 -10.421  -1.996
  469   1HE   LYS  91          1HE       LYS  91  -1.930  -8.217  -2.097
  470   2HE   LYS  91          2HE       LYS  91  -1.599  -9.913  -2.482
  471   1HZ   LYS  91          1HZ       LYS  91  -3.063  -9.811  -4.338
  472   2HZ   LYS  91          2HZ       LYS  91  -3.573  -8.286  -3.979
  473   3HZ   LYS  91          3HZ       LYS  91  -2.036  -8.547  -4.502
  474    H    LYS  92           H        LYS  92  -3.781 -10.001   2.970
  475    HA   LYS  92           HA       LYS  92  -1.655 -11.180   1.723
  476   1HB   LYS  92          1HB       LYS  92  -0.958 -11.598   3.942
  477   2HB   LYS  92          2HB       LYS  92  -1.754 -10.029   3.706
  478   1HG   LYS  92          1HG       LYS  92  -3.916 -11.164   4.643
  479   2HG   LYS  92          2HG       LYS  92  -2.950 -12.574   5.005
  480   1HD   LYS  92          1HD       LYS  92  -1.882 -11.566   6.808
  481   2HD   LYS  92          2HD       LYS  92  -2.221  -9.923   6.247
  482   1HE   LYS  92          1HE       LYS  92  -4.529 -10.002   6.793
  483   2HE   LYS  92          2HE       LYS  92  -4.536 -11.754   6.945
  484   1HZ   LYS  92          1HZ       LYS  92  -3.291 -11.565   8.940
  485   2HZ   LYS  92          2HZ       LYS  92  -3.091  -9.937   8.763
  486   3HZ   LYS  92          3HZ       LYS  92  -4.587 -10.558   9.050
  487    HHA  HEC  93           HHA      HEC  93   8.730  -0.429   0.298
  488    HHB  HEC  93           HHB      HEC  93   2.306  -0.105   0.737
  489    HHC  HEC  93           HHC      HEC  93   2.475   4.325  -3.982
  490    HHD  HEC  93           HHD      HEC  93   8.668   3.089  -4.942
  491   1HMA  HEC  93          1HMA      HEC  93   4.681  -1.779   3.373
  492   2HMA  HEC  93          2HMA      HEC  93   3.244  -0.933   2.798
  493   3HMA  HEC  93          3HMA      HEC  93   3.724  -2.477   2.051
  494   1HAA  HEC  93          1HAA      HEC  93   6.917  -1.998   3.091
  495   2HAA  HEC  93          2HAA      HEC  93   8.058  -0.819   2.540
  496   1HBA  HEC  93          1HBA      HEC  93   7.850  -2.402   0.347
  497   2HBA  HEC  93          2HBA      HEC  93   7.473  -3.605   1.576
  498   1HMB  HEC  93          1HMB      HEC  93  -0.333   1.701   0.107
  499   2HMB  HEC  93          2HMB      HEC  93  -0.605   0.730  -1.355
  500   3HMB  HEC  93          3HMB      HEC  93   0.329   0.078  -0.028
  501    HAB  HEC  93           HAB      HEC  93   0.535   4.223  -3.265
  502   1HBB  HEC  93          1HBB      HEC  93  -1.221   3.330  -0.975
  503   2HBB  HEC  93          2HBB      HEC  93  -0.051   4.664  -0.869
  504   3HBB  HEC  93          3HBB      HEC  93  -1.400   4.731  -2.017
  505   1HMC  HEC  93          1HMC      HEC  93   3.472   6.099  -5.305
  506   2HMC  HEC  93          2HMC      HEC  93   4.529   5.948  -6.715
  507   3HMC  HEC  93          3HMC      HEC  93   3.244   4.767  -6.456
  508    HAC  HEC  93           HAC      HEC  93   8.017   4.151  -6.595
  509   1HBC  HEC  93          1HBC      HEC  93   7.814   6.399  -7.613
  510   2HBC  HEC  93          2HBC      HEC  93   6.553   6.779  -6.424
  511   3HBC  HEC  93          3HBC      HEC  93   8.198   6.344  -5.893
  512   1HMD  HEC  93          1HMD      HEC  93  11.272   0.572  -4.130
  513   2HMD  HEC  93          2HMD      HEC  93  10.245   1.592  -5.119
  514   3HMD  HEC  93          3HMD      HEC  93  11.376   2.341  -3.960
  515   1HAD  HEC  93          1HAD      HEC  93  10.982  -0.844  -1.294
  516   2HAD  HEC  93          2HAD      HEC  93  10.731   0.274  -0.076
  517   1HBD  HEC  93          1HBD      HEC  93  12.752   1.009  -0.342
  518   2HBD  HEC  93          2HBD      HEC  93  11.964   2.074  -1.466
  Start of MODEL   11
    1   1H    VAL  22          1H        VAL  22 -14.102   3.728   0.830
    2   2H    VAL  22          2H        VAL  22 -12.749   3.921   1.753
    3   3H    VAL  22          3H        VAL  22 -13.853   5.188   1.617
    4    HA   VAL  22           HA       VAL  22 -13.469   5.109  -0.763
    5    HB   VAL  22           HB       VAL  22 -10.833   5.515   0.727
    6   1HG1  VAL  22          1HG1      VAL  22 -11.984   6.644  -1.875
    7   2HG1  VAL  22          2HG1      VAL  22 -10.437   7.124  -1.150
    8   3HG1  VAL  22          3HG1      VAL  22 -10.656   5.475  -1.748
    9   1HG2  VAL  22          1HG2      VAL  22 -12.511   6.868   1.868
   10   2HG2  VAL  22          2HG2      VAL  22 -11.565   7.926   0.816
   11   3HG2  VAL  22          3HG2      VAL  22 -13.189   7.416   0.316
   12    H    ASP  23           H        ASP  23 -13.047   3.730  -2.196
   13    HA   ASP  23           HA       ASP  23 -12.704   1.127  -1.754
   14   1HB   ASP  23          1HB       ASP  23 -12.305   2.634  -4.368
   15   2HB   ASP  23          2HB       ASP  23 -12.734   0.920  -4.222
   16    H    ALA  24           H        ALA  24 -10.924   0.549  -0.679
   17    HA   ALA  24           HA       ALA  24  -8.413   1.484  -0.783
   18   1HB   ALA  24          1HB       ALA  24  -7.702  -0.551   0.289
   19   2HB   ALA  24          2HB       ALA  24  -9.276  -0.054   0.937
   20   3HB   ALA  24          3HB       ALA  24  -9.197  -1.380  -0.235
   21    H    GLU  25           H        GLU  25  -9.530  -1.441  -2.579
   22    HA   GLU  25           HA       GLU  25  -6.995  -1.823  -3.789
   23   1HB   GLU  25          1HB       GLU  25  -7.858  -3.556  -4.960
   24   2HB   GLU  25          2HB       GLU  25  -9.039  -3.464  -3.647
   25   1HG   GLU  25          1HG       GLU  25 -10.521  -2.154  -5.111
   26   2HG   GLU  25          2HG       GLU  25  -9.328  -2.342  -6.462
   27    H    ALA  26           H        ALA  26  -9.857   0.105  -4.849
   28    HA   ALA  26           HA       ALA  26  -8.899   0.724  -7.425
   29   1HB   ALA  26          1HB       ALA  26 -11.212   1.210  -6.574
   30   2HB   ALA  26          2HB       ALA  26 -10.527   2.600  -5.691
   31   3HB   ALA  26          3HB       ALA  26 -10.440   2.546  -7.454
   32    H    VAL  27           H        VAL  27  -8.421   2.462  -4.336
   33    HA   VAL  27           HA       VAL  27  -6.526   4.511  -5.199
   34    HB   VAL  27           HB       VAL  27  -6.673   2.889  -2.607
   35   1HG1  VAL  27          1HG1      VAL  27  -5.361   4.584  -1.562
   36   2HG1  VAL  27          2HG1      VAL  27  -4.446   4.036  -2.966
   37   3HG1  VAL  27          3HG1      VAL  27  -5.340   5.576  -3.022
   38   1HG2  VAL  27          1HG2      VAL  27  -7.760   5.667  -3.212
   39   2HG2  VAL  27          2HG2      VAL  27  -8.753   4.210  -3.055
   40   3HG2  VAL  27          3HG2      VAL  27  -7.843   4.804  -1.661
   41    H    VAL  28           H        VAL  28  -5.705   1.041  -4.027
   42    HA   VAL  28           HA       VAL  28  -3.080   1.907  -4.636
   43    HB   VAL  28           HB       VAL  28  -4.363  -0.716  -3.993
   44   1HG1  VAL  28          1HG1      VAL  28  -1.753  -0.493  -4.960
   45   2HG1  VAL  28          2HG1      VAL  28  -1.551  -0.723  -3.212
   46   3HG1  VAL  28          3HG1      VAL  28  -2.457  -1.880  -4.179
   47   1HG2  VAL  28          1HG2      VAL  28  -4.649   0.613  -2.122
   48   2HG2  VAL  28          2HG2      VAL  28  -3.052   0.013  -1.693
   49   3HG2  VAL  28          3HG2      VAL  28  -3.216   1.596  -2.410
   50    H    GLN  29           H        GLN  29  -5.355   0.036  -6.391
   51    HA   GLN  29           HA       GLN  29  -3.940  -0.695  -8.734
   52   1HB   GLN  29          1HB       GLN  29  -6.884  -0.204  -8.138
   53   2HB   GLN  29          2HB       GLN  29  -6.333  -0.841  -9.657
   54   1HG   GLN  29          1HG       GLN  29  -5.810  -2.213  -6.994
   55   2HG   GLN  29          2HG       GLN  29  -7.089  -2.605  -8.142
   56   1HE2  GLN  29          1HE2      GLN  29  -3.732  -3.044  -7.355
   57   2HE2  GLN  29          2HE2      GLN  29  -3.298  -3.972  -8.780
   58    H    GLN  30           H        GLN  30  -4.664   2.492  -7.648
   59    HA   GLN  30           HA       GLN  30  -3.657   3.360 -10.309
   60   1HB   GLN  30          1HB       GLN  30  -6.268   3.882  -9.282
   61   2HB   GLN  30          2HB       GLN  30  -5.381   5.384  -9.073
   62   1HG   GLN  30          1HG       GLN  30  -4.679   5.295 -11.478
   63   2HG   GLN  30          2HG       GLN  30  -5.490   3.728 -11.655
   64   1HE2  GLN  30          1HE2      GLN  30  -6.228   7.114 -10.617
   65   2HE2  GLN  30          2HE2      GLN  30  -7.823   7.122 -11.361
   66    H    LYS  31           H        LYS  31  -3.036   3.383  -7.015
   67    HA   LYS  31           HA       LYS  31  -1.461   5.916  -7.160
   68   1HB   LYS  31          1HB       LYS  31  -2.896   4.451  -4.908
   69   2HB   LYS  31          2HB       LYS  31  -1.857   5.777  -4.605
   70   1HG   LYS  31          1HG       LYS  31  -4.253   6.065  -6.423
   71   2HG   LYS  31          2HG       LYS  31  -4.213   6.428  -4.693
   72   1HD   LYS  31          1HD       LYS  31  -2.276   7.991  -5.090
   73   2HD   LYS  31          2HD       LYS  31  -2.566   7.816  -6.839
   74   1HE   LYS  31          1HE       LYS  31  -4.860   8.675  -6.554
   75   2HE   LYS  31          2HE       LYS  31  -4.642   8.743  -4.790
   76   1HZ   LYS  31          1HZ       LYS  31  -2.983  10.378  -5.054
   77   2HZ   LYS  31          2HZ       LYS  31  -3.080  10.328  -6.705
   78   3HZ   LYS  31          3HZ       LYS  31  -4.354  10.873  -5.813
   79    H    CYS  32           H        CYS  32  -1.238   2.446  -6.514
   80    HA   CYS  32           HA       CYS  32   1.602   2.841  -5.667
   81   1HB   CYS  32          1HB       CYS  32   0.138   0.319  -5.181
   82   2HB   CYS  32          2HB       CYS  32   1.414   1.020  -4.240
   83    H    ILE  33           H        ILE  33  -0.576   0.947  -7.760
   84    HA   ILE  33           HA       ILE  33   1.275  -0.852  -8.753
   85    HB   ILE  33           HB       ILE  33  -0.039  -0.959 -10.793
   86   1HG1  ILE  33          1HG1      ILE  33  -1.889   1.202  -9.744
   87   2HG1  ILE  33          2HG1      ILE  33  -0.585   1.583 -10.868
   88   1HG2  ILE  33          1HG2      ILE  33  -2.126  -1.721  -9.740
   89   2HG2  ILE  33          2HG2      ILE  33  -0.739  -2.165  -8.749
   90   3HG2  ILE  33          3HG2      ILE  33  -1.736  -0.807  -8.271
   91   1HD1  ILE  33          1HD1      ILE  33  -1.407  -0.022 -12.513
   92   2HD1  ILE  33          2HD1      ILE  33  -2.789  -0.409 -11.468
   93   3HD1  ILE  33          3HD1      ILE  33  -2.601   1.227 -12.130
   94    H    SER  34           H        SER  34   0.988   2.556  -9.527
   95    HA   SER  34           HA       SER  34   2.565   3.035 -11.666
   96   1HB   SER  34          1HB       SER  34   2.304   4.369  -8.966
   97   2HB   SER  34          2HB       SER  34   3.541   4.958 -10.085
   98    HG   SER  34           HG       SER  34   1.948   5.314 -11.618
   99    H    CYS  35           H        CYS  35   3.810   1.905  -8.496
  100    HA   CYS  35           HA       CYS  35   6.460   1.497  -9.819
  101   1HB   CYS  35          1HB       CYS  35   6.258   2.000  -6.844
  102   2HB   CYS  35          2HB       CYS  35   7.636   2.115  -7.916
  103    H    HIS  36           H        HIS  36   4.096   0.285  -7.406
  104    HA   HIS  36           HA       HIS  36   5.595  -2.161  -6.980
  105   1HB   HIS  36          1HB       HIS  36   2.836  -1.231  -6.160
  106   2HB   HIS  36          2HB       HIS  36   3.526  -2.796  -5.713
  107    HD1  HIS  36           1HD      HIS  36   5.745  -2.755  -4.111
  108    HD2  HIS  36           2HD      HIS  36   3.698   0.891  -4.711
  109    HE1  HIS  36           1HE      HIS  36   6.465  -1.177  -2.244
  110    H    GLY  37           H        GLY  37   3.594  -1.215  -9.617
  111   1HA   GLY  37          1HA       GLY  37   3.214  -2.445 -11.506
  112   2HA   GLY  37          2HA       GLY  37   3.763  -3.929 -10.710
  113    H    GLY  38           H        GLY  38   1.417  -3.671 -12.356
  114   1HA   GLY  38          1HA       GLY  38  -1.025  -3.092 -11.396
  115   2HA   GLY  38          2HA       GLY  38  -0.725  -4.503 -12.408
  116    H    ASP  39           H        ASP  39   0.379  -6.382 -10.956
  117    HA   ASP  39           HA       ASP  39  -1.734  -7.153  -9.112
  118   1HB   ASP  39          1HB       ASP  39   0.810  -8.556 -10.015
  119   2HB   ASP  39          2HB       ASP  39  -0.466  -9.294  -9.035
  120    H    LEU  40           H        LEU  40   0.902  -5.209  -8.574
  121    HA   LEU  40           HA       LEU  40   2.023  -4.485  -6.776
  122   1HB   LEU  40          1HB       LEU  40   0.055  -6.095  -5.129
  123   2HB   LEU  40          2HB       LEU  40   1.084  -4.789  -4.568
  124    HG   LEU  40           HG       LEU  40  -0.656  -4.143  -6.959
  125   1HD1  LEU  40          1HD1      LEU  40  -2.602  -3.714  -5.640
  126   2HD1  LEU  40          2HD1      LEU  40  -2.207  -5.436  -5.621
  127   3HD1  LEU  40          3HD1      LEU  40  -1.843  -4.433  -4.194
  128   1HD2  LEU  40          1HD2      LEU  40   0.990  -2.585  -5.805
  129   2HD2  LEU  40          2HD2      LEU  40  -0.650  -2.005  -6.089
  130   3HD2  LEU  40          3HD2      LEU  40  -0.166  -2.551  -4.462
  131    H    THR  41           H        THR  41   2.667  -6.988  -8.205
  132    HA   THR  41           HA       THR  41   4.072  -8.771  -6.447
  133    HB   THR  41           HB       THR  41   4.774  -9.511  -8.885
  134    HG1  THR  41           1HG      THR  41   3.256  -8.635 -10.416
  135   1HG2  THR  41          1HG2      THR  41   1.854  -9.483  -7.970
  136   2HG2  THR  41          2HG2      THR  41   2.509 -10.525  -9.249
  137   3HG2  THR  41          3HG2      THR  41   3.071 -10.710  -7.577
  138    H    GLY  42           H        GLY  42   4.772  -5.634  -7.721
  139   1HA   GLY  42          1HA       GLY  42   6.564  -4.468  -6.924
  140   2HA   GLY  42          2HA       GLY  42   7.524  -5.937  -6.712
  141    H    ALA  43           H        ALA  43   6.825  -3.300  -8.851
  142    HA   ALA  43           HA       ALA  43   8.439  -4.533 -11.053
  143   1HB   ALA  43          1HB       ALA  43   7.551  -2.676 -12.425
  144   2HB   ALA  43          2HB       ALA  43   6.300  -3.771 -11.806
  145   3HB   ALA  43          3HB       ALA  43   6.515  -2.178 -11.072
  146    H    SER  44           H        SER  44   8.036  -1.143 -10.012
  147    HA   SER  44           HA       SER  44  10.984  -0.755  -9.981
  148   1HB   SER  44          1HB       SER  44   8.694   1.238  -9.857
  149   2HB   SER  44          2HB       SER  44  10.412   1.635  -9.950
  150    HG   SER  44           HG       SER  44  10.451   0.516 -11.973
  151    H    ALA  45           H        ALA  45   8.756  -1.833  -7.826
  152    HA   ALA  45           HA       ALA  45  10.137  -0.779  -5.441
  153   1HB   ALA  45          1HB       ALA  45   7.120  -0.751  -5.919
  154   2HB   ALA  45          2HB       ALA  45   7.936  -0.308  -4.410
  155   3HB   ALA  45          3HB       ALA  45   8.152   0.682  -5.857
  156    HA   PRO  46           HA       PRO  46   9.866  -5.088  -4.594
  157   1HB   PRO  46          1HB       PRO  46   9.324  -5.325  -1.890
  158   2HB   PRO  46          2HB       PRO  46  10.890  -4.768  -2.548
  159   1HG   PRO  46          1HG       PRO  46   8.566  -3.060  -1.623
  160   2HG   PRO  46          2HG       PRO  46  10.283  -2.932  -1.132
  161   1HD   PRO  46          1HD       PRO  46   9.284  -1.350  -3.074
  162   2HD   PRO  46          2HD       PRO  46  10.894  -2.081  -3.307
  163    H    ALA  47           H        ALA  47   8.452  -6.889  -3.908
  164    HA   ALA  47           HA       ALA  47   5.749  -6.567  -4.779
  165   1HB   ALA  47          1HB       ALA  47   6.972  -8.829  -3.125
  166   2HB   ALA  47          2HB       ALA  47   5.502  -8.904  -4.117
  167   3HB   ALA  47          3HB       ALA  47   7.093  -8.718  -4.885
  168    H    ILE  48           H        ILE  48   4.068  -5.756  -3.612
  169    HA   ILE  48           HA       ILE  48   4.159  -6.099  -0.649
  170    HB   ILE  48           HB       ILE  48   3.138  -4.010  -0.191
  171   1HG1  ILE  48          1HG1      ILE  48   3.291  -2.165  -1.943
  172   2HG1  ILE  48          2HG1      ILE  48   3.295  -3.441  -3.160
  173   1HG2  ILE  48          1HG2      ILE  48   5.626  -3.671  -1.884
  174   2HG2  ILE  48          2HG2      ILE  48   5.086  -2.619  -0.566
  175   3HG2  ILE  48          3HG2      ILE  48   5.601  -4.275  -0.214
  176   1HD1  ILE  48          1HD1      ILE  48   1.020  -4.125  -2.335
  177   2HD1  ILE  48          2HD1      ILE  48   1.172  -2.981  -0.983
  178   3HD1  ILE  48          3HD1      ILE  48   1.055  -2.373  -2.634
  179    H    ASP  49           H        ASP  49   2.635  -7.155  -3.401
  180    HA   ASP  49           HA       ASP  49   0.010  -7.346  -2.476
  181   1HB   ASP  49          1HB       ASP  49  -0.279  -8.679  -4.284
  182   2HB   ASP  49          2HB       ASP  49   1.386  -8.333  -4.664
  183    H    LYS  50           H        LYS  50   2.842  -8.874  -1.163
  184    HA   LYS  50           HA       LYS  50   1.212 -10.543   0.704
  185   1HB   LYS  50          1HB       LYS  50   3.884 -10.848  -0.544
  186   2HB   LYS  50          2HB       LYS  50   3.890 -11.090   1.197
  187   1HG   LYS  50          1HG       LYS  50   3.510 -13.200   0.234
  188   2HG   LYS  50          2HG       LYS  50   2.031 -12.692   1.039
  189   1HD   LYS  50          1HD       LYS  50   1.989 -11.788  -1.741
  190   2HD   LYS  50          2HD       LYS  50   2.505 -13.454  -1.730
  191   1HE   LYS  50          1HE       LYS  50   0.325 -14.018  -1.681
  192   2HE   LYS  50          2HE       LYS  50   0.310 -13.539   0.010
  193   1HZ   LYS  50          1HZ       LYS  50  -0.467 -11.935  -2.339
  194   2HZ   LYS  50          2HZ       LYS  50  -1.393 -12.468  -1.019
  195   3HZ   LYS  50          3HZ       LYS  50  -0.297 -11.248  -0.875
  196    H    ALA  51           H        ALA  51   2.230  -7.392   0.700
  197    HA   ALA  51           HA       ALA  51   3.752  -7.262   3.072
  198   1HB   ALA  51          1HB       ALA  51   1.970  -5.108   1.912
  199   2HB   ALA  51          2HB       ALA  51   3.190  -4.902   3.179
  200   3HB   ALA  51          3HB       ALA  51   3.692  -5.401   1.559
  201    H    GLY  52           H        GLY  52   0.117  -7.518   2.714
  202   1HA   GLY  52          1HA       GLY  52  -0.418  -6.985   5.432
  203   2HA   GLY  52          2HA       GLY  52  -1.339  -8.049   4.346
  204    H    ALA  53           H        ALA  53   0.958  -9.888   3.877
  205    HA   ALA  53           HA       ALA  53   0.779 -11.512   6.351
  206   1HB   ALA  53          1HB       ALA  53   2.216 -11.995   3.714
  207   2HB   ALA  53          2HB       ALA  53   2.247 -13.081   5.110
  208   3HB   ALA  53          3HB       ALA  53   0.717 -12.756   4.299
  209    H    ASN  54           H        ASN  54   3.335  -9.720   4.567
  210    HA   ASN  54           HA       ASN  54   5.393 -10.582   6.409
  211   1HB   ASN  54          1HB       ASN  54   5.303  -8.240   4.459
  212   2HB   ASN  54          2HB       ASN  54   6.726  -8.682   5.397
  213   1HD2  ASN  54          1HD2      ASN  54   7.751 -10.785   5.045
  214   2HD2  ASN  54          2HD2      ASN  54   7.549 -11.553   3.480
  215    H    TYR  55           H        TYR  55   3.339  -7.704   6.236
  216    HA   TYR  55           HA       TYR  55   4.482  -6.602   8.778
  217   1HB   TYR  55          1HB       TYR  55   3.606  -5.051   6.323
  218   2HB   TYR  55          2HB       TYR  55   4.258  -4.378   7.809
  219    HD1  TYR  55           1HD      TYR  55   5.193  -3.875   4.946
  220    HD2  TYR  55           2HD      TYR  55   6.632  -6.420   8.117
  221    HE1  TYR  55           1HE      TYR  55   7.462  -3.838   3.970
  222    HE2  TYR  55           2HE      TYR  55   8.865  -6.456   7.072
  223    HH   TYR  55           HH       TYR  55   9.608  -4.642   4.067
  224    H    SER  56           H        SER  56   2.847  -4.955   9.656
  225    HA   SER  56           HA       SER  56   0.074  -6.065   9.251
  226   1HB   SER  56          1HB       SER  56   1.146  -6.129  11.549
  227   2HB   SER  56          2HB       SER  56   0.948  -4.368  11.582
  228    HG   SER  56           HG       SER  56  -1.022  -6.406  11.401
  229    H    GLU  57           H        GLU  57  -1.625  -4.398   9.956
  230    HA   GLU  57           HA       GLU  57  -1.828  -2.670   7.679
  231   1HB   GLU  57          1HB       GLU  57  -4.008  -2.166   8.367
  232   2HB   GLU  57          2HB       GLU  57  -3.743  -3.833   8.807
  233   1HG   GLU  57          1HG       GLU  57  -4.788  -3.164  10.678
  234   2HG   GLU  57          2HG       GLU  57  -3.154  -2.768  11.209
  235    H    GLU  58           H        GLU  58  -1.205  -2.042  11.153
  236    HA   GLU  58           HA       GLU  58  -0.918   0.700  11.099
  237   1HB   GLU  58          1HB       GLU  58   0.754   0.326  12.987
  238   2HB   GLU  58          2HB       GLU  58  -0.872  -0.333  13.189
  239   1HG   GLU  58          1HG       GLU  58  -0.113  -2.597  12.768
  240   2HG   GLU  58          2HG       GLU  58   1.507  -2.022  12.320
  241    H    GLU  59           H        GLU  59   1.647  -1.690  10.354
  242    HA   GLU  59           HA       GLU  59   3.739   0.177   9.903
  243   1HB   GLU  59          1HB       GLU  59   3.260  -2.607   8.748
  244   2HB   GLU  59          2HB       GLU  59   4.805  -1.762   8.702
  245   1HG   GLU  59          1HG       GLU  59   4.780  -1.676  11.224
  246   2HG   GLU  59          2HG       GLU  59   3.325  -2.687  11.196
  247    H    ILE  60           H        ILE  60   1.487  -1.447   7.681
  248    HA   ILE  60           HA       ILE  60   2.530  -0.356   5.245
  249    HB   ILE  60           HB       ILE  60  -0.173  -1.461   6.040
  250   1HG1  ILE  60          1HG1      ILE  60   1.867  -2.728   4.196
  251   2HG1  ILE  60          2HG1      ILE  60   2.011  -2.925   5.942
  252   1HG2  ILE  60          1HG2      ILE  60   0.794  -0.593   3.296
  253   2HG2  ILE  60          2HG2      ILE  60  -0.530  -1.749   3.519
  254   3HG2  ILE  60          3HG2      ILE  60  -0.686  -0.114   4.160
  255   1HD1  ILE  60          1HD1      ILE  60   0.427  -4.502   6.008
  256   2HD1  ILE  60          2HD1      ILE  60  -0.721  -3.531   5.076
  257   3HD1  ILE  60          3HD1      ILE  60   0.490  -4.523   4.239
  258    H    LEU  61           H        LEU  61  -0.202   0.613   7.326
  259    HA   LEU  61           HA       LEU  61  -1.084   2.901   6.028
  260   1HB   LEU  61          1HB       LEU  61  -2.040   1.788   8.125
  261   2HB   LEU  61          2HB       LEU  61  -0.782   2.547   9.054
  262    HG   LEU  61           HG       LEU  61  -1.585   4.793   8.165
  263   1HD1  LEU  61          1HD1      LEU  61  -2.960   3.952   6.274
  264   2HD1  LEU  61          2HD1      LEU  61  -4.026   3.146   7.441
  265   3HD1  LEU  61          3HD1      LEU  61  -3.922   4.920   7.400
  266   1HD2  LEU  61          1HD2      LEU  61  -3.456   3.147   9.906
  267   2HD2  LEU  61          2HD2      LEU  61  -2.028   4.054  10.455
  268   3HD2  LEU  61          3HD2      LEU  61  -3.432   4.921   9.804
  269    H    ASP  62           H        ASP  62   1.397   2.616   8.619
  270    HA   ASP  62           HA       ASP  62   1.967   5.392   8.715
  271   1HB   ASP  62          1HB       ASP  62   2.671   3.796  10.473
  272   2HB   ASP  62          2HB       ASP  62   3.853   3.083   9.357
  273    H    ILE  63           H        ILE  63   3.438   2.735   6.863
  274    HA   ILE  63           HA       ILE  63   5.530   4.286   5.657
  275    HB   ILE  63           HB       ILE  63   4.178   1.635   5.158
  276   1HG1  ILE  63          1HG1      ILE  63   7.141   2.199   5.121
  277   2HG1  ILE  63          2HG1      ILE  63   6.272   2.247   6.662
  278   1HG2  ILE  63          1HG2      ILE  63   4.225   2.254   2.896
  279   2HG2  ILE  63          2HG2      ILE  63   5.845   3.001   3.031
  280   3HG2  ILE  63          3HG2      ILE  63   5.647   1.252   3.158
  281   1HD1  ILE  63          1HD1      ILE  63   7.316   0.013   6.099
  282   2HD1  ILE  63          2HD1      ILE  63   5.593  -0.025   6.511
  283   3HD1  ILE  63          3HD1      ILE  63   6.101  -0.167   4.821
  284    H    ILE  64           H        ILE  64   2.176   3.636   4.548
  285    HA   ILE  64           HA       ILE  64   2.447   5.084   2.077
  286    HB   ILE  64           HB       ILE  64   0.030   4.539   3.828
  287   1HG1  ILE  64          1HG1      ILE  64   0.717   3.136   1.229
  288   2HG1  ILE  64          2HG1      ILE  64   1.480   2.596   2.724
  289   1HG2  ILE  64          1HG2      ILE  64  -1.275   4.929   1.716
  290   2HG2  ILE  64          2HG2      ILE  64  -0.512   6.388   2.341
  291   3HG2  ILE  64          3HG2      ILE  64   0.208   5.543   0.954
  292   1HD1  ILE  64          1HD1      ILE  64  -1.518   2.792   2.276
  293   2HD1  ILE  64          2HD1      ILE  64  -0.532   1.317   2.385
  294   3HD1  ILE  64          3HD1      ILE  64  -0.744   2.345   3.803
  295    H    LEU  65           H        LEU  65   1.232   6.051   5.304
  296    HA   LEU  65           HA       LEU  65   0.629   8.744   4.557
  297   1HB   LEU  65          1HB       LEU  65   1.164   7.425   7.227
  298   2HB   LEU  65          2HB       LEU  65   0.587   9.085   7.048
  299    HG   LEU  65           HG       LEU  65  -1.030   6.661   6.084
  300   1HD1  LEU  65          1HD1      LEU  65  -2.343   7.053   8.133
  301   2HD1  LEU  65          2HD1      LEU  65  -0.652   6.783   8.609
  302   3HD1  LEU  65          3HD1      LEU  65  -1.313   8.424   8.581
  303   1HD2  LEU  65          1HD2      LEU  65  -1.664   9.606   6.328
  304   2HD2  LEU  65          2HD2      LEU  65  -1.633   8.545   4.881
  305   3HD2  LEU  65          3HD2      LEU  65  -2.864   8.319   6.135
  306    H    ASN  66           H        ASN  66   3.617   7.221   5.550
  307    HA   ASN  66           HA       ASN  66   4.984   9.785   6.160
  308   1HB   ASN  66          1HB       ASN  66   5.652   6.849   6.641
  309   2HB   ASN  66          2HB       ASN  66   6.845   8.086   6.791
  310   1HD2  ASN  66          1HD2      ASN  66   3.634   7.222   7.927
  311   2HD2  ASN  66          2HD2      ASN  66   3.982   7.509   9.599
  312    H    GLY  67           H        GLY  67   5.692   6.775   4.306
  313   1HA   GLY  67          1HA       GLY  67   6.643   6.952   2.033
  314   2HA   GLY  67          2HA       GLY  67   7.658   8.278   2.615
  315    H    GLN  68           H        GLN  68   7.411   4.866   2.282
  316    HA   GLN  68           HA       GLN  68   9.594   4.067   3.988
  317   1HB   GLN  68          1HB       GLN  68   8.195   2.284   2.817
  318   2HB   GLN  68          2HB       GLN  68   8.581   3.056   1.292
  319   1HG   GLN  68          1HG       GLN  68   9.665   0.989   1.769
  320   2HG   GLN  68          2HG       GLN  68  10.841   2.266   1.385
  321   1HE2  GLN  68          1HE2      GLN  68  10.593  -0.507   3.008
  322   2HE2  GLN  68          2HE2      GLN  68  11.529  -0.097   4.432
  323    H    GLY  69           H        GLY  69  11.885   3.903   3.276
  324   1HA   GLY  69          1HA       GLY  69  13.162   6.120   2.616
  325   2HA   GLY  69          2HA       GLY  69  13.804   4.554   2.114
  326    H    GLY  70           H        GLY  70  12.673   3.759  -0.092
  327   1HA   GLY  70          1HA       GLY  70  13.292   5.845  -2.075
  328   2HA   GLY  70          2HA       GLY  70  13.021   4.130  -2.360
  329    H    MET  71           H        MET  71  10.612   5.824  -0.469
  330    HA   MET  71           HA       MET  71   8.724   5.838  -2.781
  331   1HB   MET  71          1HB       MET  71   8.546   3.929  -1.203
  332   2HB   MET  71          2HB       MET  71   8.322   5.059   0.125
  333   1HG   MET  71          1HG       MET  71   6.246   5.790  -0.630
  334   2HG   MET  71          2HG       MET  71   6.365   4.939  -2.170
  335   1HE   MET  71          1HE       MET  71   3.802   4.533  -0.632
  336   2HE   MET  71          2HE       MET  71   3.758   3.359   0.701
  337   3HE   MET  71          3HE       MET  71   4.540   4.936   0.938
  338    HA   PRO  72           HA       PRO  72   8.650  10.085  -1.562
  339   1HB   PRO  72          1HB       PRO  72   6.343  11.040  -2.744
  340   2HB   PRO  72          2HB       PRO  72   7.837  10.630  -3.635
  341   1HG   PRO  72          1HG       PRO  72   5.403   8.904  -3.210
  342   2HG   PRO  72          2HG       PRO  72   6.253   9.213  -4.749
  343   1HD   PRO  72          1HD       PRO  72   6.768   6.953  -3.364
  344   2HD   PRO  72          2HD       PRO  72   8.126   7.876  -4.079
  345    H    GLY  73           H        GLY  73   5.681   8.245  -0.959
  346   1HA   GLY  73          1HA       GLY  73   4.536   8.042   1.051
  347   2HA   GLY  73          2HA       GLY  73   5.568   9.291   1.768
  348    H    GLY  74           H        GLY  74   2.825   9.149   2.178
  349   1HA   GLY  74          1HA       GLY  74   0.936  10.397   2.180
  350   2HA   GLY  74          2HA       GLY  74   1.885  11.805   1.615
  351    H    ILE  75           H        ILE  75   1.780   8.774  -0.117
  352    HA   ILE  75           HA       ILE  75   0.686   9.867  -2.545
  353    HB   ILE  75           HB       ILE  75   1.266   7.088  -1.473
  354   1HG1  ILE  75          1HG1      ILE  75   2.557   8.349  -3.885
  355   2HG1  ILE  75          2HG1      ILE  75   3.051   8.952  -2.300
  356   1HG2  ILE  75          1HG2      ILE  75   0.961   6.303  -3.863
  357   2HG2  ILE  75          2HG2      ILE  75  -0.533   6.719  -3.020
  358   3HG2  ILE  75          3HG2      ILE  75   0.163   7.846  -4.209
  359   1HD1  ILE  75          1HD1      ILE  75   4.354   6.912  -3.325
  360   2HD1  ILE  75          2HD1      ILE  75   3.923   6.903  -1.596
  361   3HD1  ILE  75          3HD1      ILE  75   2.962   5.985  -2.757
  362    H    ALA  76           H        ALA  76  -0.673   8.384   0.386
  363    HA   ALA  76           HA       ALA  76  -3.316   9.072  -0.569
  364   1HB   ALA  76          1HB       ALA  76  -2.441   6.276   0.284
  365   2HB   ALA  76          2HB       ALA  76  -4.109   6.811   0.504
  366   3HB   ALA  76          3HB       ALA  76  -3.406   6.735  -1.131
  367    H    LYS  77           H        LYS  77  -4.634   9.739   1.295
  368    HA   LYS  77           HA       LYS  77  -3.441   9.346   3.948
  369   1HB   LYS  77          1HB       LYS  77  -3.676  12.067   2.602
  370   2HB   LYS  77          2HB       LYS  77  -3.742  11.851   4.344
  371   1HG   LYS  77          1HG       LYS  77  -1.511  10.565   4.123
  372   2HG   LYS  77          2HG       LYS  77  -1.422  11.209   2.491
  373   1HD   LYS  77          1HD       LYS  77  -1.226  13.434   3.252
  374   2HD   LYS  77          2HD       LYS  77  -1.772  13.067   4.891
  375   1HE   LYS  77          1HE       LYS  77   0.805  11.924   3.714
  376   2HE   LYS  77          2HE       LYS  77   0.776  13.471   4.541
  377   1HZ   LYS  77          1HZ       LYS  77  -0.195  11.030   5.844
  378   2HZ   LYS  77          2HZ       LYS  77   1.396  11.407   5.807
  379   3HZ   LYS  77          3HZ       LYS  77   0.320  12.432   6.539
  380    H    GLY  78           H        GLY  78  -4.742   9.880   5.728
  381   1HA   GLY  78          1HA       GLY  78  -6.709   9.780   6.884
  382   2HA   GLY  78          2HA       GLY  78  -7.483  10.628   5.533
  383    H    ALA  79           H        ALA  79  -9.325   9.355   5.542
  384    HA   ALA  79           HA       ALA  79  -9.869   6.757   5.735
  385   1HB   ALA  79          1HB       ALA  79 -11.746   7.078   4.218
  386   2HB   ALA  79          2HB       ALA  79 -11.531   8.487   5.270
  387   3HB   ALA  79          3HB       ALA  79 -11.003   8.560   3.572
  388    H    GLU  80           H        GLU  80  -8.335   8.218   2.916
  389    HA   GLU  80           HA       GLU  80  -8.397   6.089   1.063
  390   1HB   GLU  80          1HB       GLU  80  -7.718   8.620   0.913
  391   2HB   GLU  80          2HB       GLU  80  -6.144   8.068   1.475
  392   1HG   GLU  80          1HG       GLU  80  -6.052   6.591  -0.581
  393   2HG   GLU  80          2HG       GLU  80  -7.578   7.320  -1.100
  394    H    ALA  81           H        ALA  81  -5.721   7.026   3.399
  395    HA   ALA  81           HA       ALA  81  -4.168   4.688   2.770
  396   1HB   ALA  81          1HB       ALA  81  -4.006   6.623   5.105
  397   2HB   ALA  81          2HB       ALA  81  -2.739   5.493   4.573
  398   3HB   ALA  81          3HB       ALA  81  -3.206   6.842   3.530
  399    H    GLU  82           H        GLU  82  -6.471   5.651   5.343
  400    HA   GLU  82           HA       GLU  82  -6.183   3.466   7.124
  401   1HB   GLU  82          1HB       GLU  82  -8.657   5.004   6.294
  402   2HB   GLU  82          2HB       GLU  82  -8.563   3.955   7.701
  403   1HG   GLU  82          1HG       GLU  82  -7.053   5.375   8.844
  404   2HG   GLU  82          2HG       GLU  82  -6.607   6.270   7.393
  405    H    ALA  83           H        ALA  83  -8.337   3.808   4.266
  406    HA   ALA  83           HA       ALA  83  -9.322   1.154   4.317
  407   1HB   ALA  83          1HB       ALA  83 -10.125   1.590   2.103
  408   2HB   ALA  83          2HB       ALA  83 -10.333   3.051   3.065
  409   3HB   ALA  83          3HB       ALA  83  -9.006   2.955   1.883
  410    H    VAL  84           H        VAL  84  -6.515   2.571   2.479
  411    HA   VAL  84           HA       VAL  84  -5.704   0.215   1.185
  412    HB   VAL  84           HB       VAL  84  -3.830   2.287   2.410
  413   1HG1  VAL  84          1HG1      VAL  84  -2.577   0.245   2.095
  414   2HG1  VAL  84          2HG1      VAL  84  -3.384  -0.085   0.555
  415   3HG1  VAL  84          3HG1      VAL  84  -2.242   1.256   0.696
  416   1HG2  VAL  84          1HG2      VAL  84  -4.968   1.959  -0.384
  417   2HG2  VAL  84          2HG2      VAL  84  -5.062   3.384   0.662
  418   3HG2  VAL  84          3HG2      VAL  84  -3.505   2.904  -0.022
  419    H    ALA  85           H        ALA  85  -4.670   1.303   4.459
  420    HA   ALA  85           HA       ALA  85  -2.907  -0.766   5.032
  421   1HB   ALA  85          1HB       ALA  85  -3.207   1.266   6.334
  422   2HB   ALA  85          2HB       ALA  85  -4.784   0.710   6.938
  423   3HB   ALA  85          3HB       ALA  85  -3.309  -0.163   7.388
  424    H    ALA  86           H        ALA  86  -6.375  -0.630   5.982
  425    HA   ALA  86           HA       ALA  86  -6.517  -3.242   7.055
  426   1HB   ALA  86          1HB       ALA  86  -8.958  -3.020   6.727
  427   2HB   ALA  86          2HB       ALA  86  -8.243  -1.550   7.425
  428   3HB   ALA  86          3HB       ALA  86  -8.694  -1.588   5.704
  429    H    TRP  87           H        TRP  87  -7.356  -2.105   3.732
  430    HA   TRP  87           HA       TRP  87  -8.166  -4.594   2.677
  431   1HB   TRP  87          1HB       TRP  87  -8.616  -2.568   1.561
  432   2HB   TRP  87          2HB       TRP  87  -6.888  -2.147   1.495
  433    HD1  TRP  87           HD       TRP  87  -9.364  -4.513  -0.279
  434    HE1  TRP  87           1HE      TRP  87  -8.217  -5.487  -2.357
  435    HE3  TRP  87           3HE      TRP  87  -4.884  -1.999  -0.038
  436    HZ2  TRP  87           2HZ      TRP  87  -4.881  -5.018  -2.836
  437    HZ3  TRP  87           3HZ      TRP  87  -3.524  -1.933  -2.123
  438    HH2  TRP  87           HH       TRP  87  -4.262  -3.107  -4.155
  439    H    LEU  88           H        LEU  88  -4.912  -3.079   2.509
  440    HA   LEU  88           HA       LEU  88  -3.642  -5.235   1.199
  441   1HB   LEU  88          1HB       LEU  88  -2.917  -2.675   2.050
  442   2HB   LEU  88          2HB       LEU  88  -1.931  -3.713   3.056
  443    HG   LEU  88           HG       LEU  88  -0.952  -2.928   0.936
  444   1HD1  LEU  88          1HD1      LEU  88  -1.134  -5.916   0.593
  445   2HD1  LEU  88          2HD1      LEU  88   0.239  -4.779   0.500
  446   3HD1  LEU  88          3HD1      LEU  88  -0.408  -5.250   2.080
  447   1HD2  LEU  88          1HD2      LEU  88  -1.405  -3.729  -1.208
  448   2HD2  LEU  88          2HD2      LEU  88  -2.941  -4.428  -0.648
  449   3HD2  LEU  88          3HD2      LEU  88  -2.589  -2.682  -0.421
  450    H    ALA  89           H        ALA  89  -4.000  -4.511   4.670
  451    HA   ALA  89           HA       ALA  89  -2.639  -6.816   5.656
  452   1HB   ALA  89          1HB       ALA  89  -3.766  -6.353   7.752
  453   2HB   ALA  89          2HB       ALA  89  -3.070  -4.900   7.004
  454   3HB   ALA  89          3HB       ALA  89  -4.830  -5.184   6.937
  455    H    GLU  90           H        GLU  90  -5.861  -6.447   4.305
  456    HA   GLU  90           HA       GLU  90  -6.725  -9.148   5.091
  457   1HB   GLU  90          1HB       GLU  90  -8.251  -7.257   5.119
  458   2HB   GLU  90          2HB       GLU  90  -7.932  -6.905   3.436
  459   1HG   GLU  90          1HG       GLU  90  -8.883  -9.670   3.724
  460   2HG   GLU  90          2HG       GLU  90  -9.996  -8.505   4.446
  461    H    LYS  91           H        LYS  91  -4.910  -7.646   2.473
  462    HA   LYS  91           HA       LYS  91  -6.072  -9.068   0.318
  463   1HB   LYS  91          1HB       LYS  91  -4.839  -6.870   0.360
  464   2HB   LYS  91          2HB       LYS  91  -3.325  -7.756   0.529
  465   1HG   LYS  91          1HG       LYS  91  -5.262  -7.754  -1.835
  466   2HG   LYS  91          2HG       LYS  91  -3.679  -6.962  -1.712
  467   1HD   LYS  91          1HD       LYS  91  -2.929  -9.459  -1.061
  468   2HD   LYS  91          2HD       LYS  91  -4.319  -9.885  -2.108
  469   1HE   LYS  91          1HE       LYS  91  -2.052  -8.050  -2.845
  470   2HE   LYS  91          2HE       LYS  91  -1.904  -9.814  -2.871
  471   1HZ   LYS  91          1HZ       LYS  91  -3.861  -8.244  -4.462
  472   2HZ   LYS  91          2HZ       LYS  91  -2.520  -8.985  -5.066
  473   3HZ   LYS  91          3HZ       LYS  91  -3.748  -9.885  -4.451
  474    H    LYS  92           H        LYS  92  -3.658  -9.893   2.614
  475    HA   LYS  92           HA       LYS  92  -1.586 -10.815   1.167
  476   1HB   LYS  92          1HB       LYS  92  -0.735 -11.608   3.100
  477   2HB   LYS  92          2HB       LYS  92  -1.578 -10.063   3.242
  478   1HG   LYS  92          1HG       LYS  92  -3.644 -11.645   4.032
  479   2HG   LYS  92          2HG       LYS  92  -2.375 -12.799   4.400
  480   1HD   LYS  92          1HD       LYS  92  -1.409 -11.324   6.032
  481   2HD   LYS  92          2HD       LYS  92  -2.421  -9.973   5.461
  482   1HE   LYS  92          1HE       LYS  92  -4.439 -11.440   6.185
  483   2HE   LYS  92          2HE       LYS  92  -3.251 -12.415   7.071
  484   1HZ   LYS  92          1HZ       LYS  92  -4.187 -10.692   8.454
  485   2HZ   LYS  92          2HZ       LYS  92  -2.601 -10.290   8.166
  486   3HZ   LYS  92          3HZ       LYS  92  -3.817  -9.549   7.328
  487    HHA  HEC  93           HHA      HEC  93   8.605  -0.274   0.390
  488    HHB  HEC  93           HHB      HEC  93   2.176  -0.044   0.718
  489    HHC  HEC  93           HHC      HEC  93   2.301   4.189  -4.130
  490    HHD  HEC  93           HHD      HEC  93   8.597   3.266  -4.849
  491   1HMA  HEC  93          1HMA      HEC  93   4.511  -1.587   3.435
  492   2HMA  HEC  93          2HMA      HEC  93   3.046  -0.933   2.709
  493   3HMA  HEC  93          3HMA      HEC  93   3.734  -2.456   2.095
  494   1HAA  HEC  93          1HAA      HEC  93   6.770  -1.787   3.187
  495   2HAA  HEC  93          2HAA      HEC  93   7.909  -0.623   2.610
  496   1HBA  HEC  93          1HBA      HEC  93   7.932  -2.253   0.511
  497   2HBA  HEC  93          2HBA      HEC  93   7.361  -3.444   1.673
  498   1HMB  HEC  93          1HMB      HEC  93  -0.888   1.156  -1.083
  499   2HMB  HEC  93          2HMB      HEC  93   0.165  -0.250  -1.099
  500   3HMB  HEC  93          3HMB      HEC  93   0.043   0.739   0.360
  501    HAB  HEC  93           HAB      HEC  93   0.333   3.998  -3.497
  502   1HBB  HEC  93          1HBB      HEC  93  -1.768   4.313  -2.302
  503   2HBB  HEC  93          2HBB      HEC  93  -1.200   3.290  -0.972
  504   3HBB  HEC  93          3HBB      HEC  93  -0.365   4.800  -1.332
  505   1HMC  HEC  93          1HMC      HEC  93   3.150   4.493  -6.638
  506   2HMC  HEC  93          2HMC      HEC  93   3.186   5.900  -5.554
  507   3HMC  HEC  93          3HMC      HEC  93   4.329   5.778  -6.894
  508    HAC  HEC  93           HAC      HEC  93   7.935   4.289  -6.538
  509   1HBC  HEC  93          1HBC      HEC  93   6.230   6.788  -6.544
  510   2HBC  HEC  93          2HBC      HEC  93   7.835   6.519  -5.845
  511   3HBC  HEC  93          3HBC      HEC  93   7.630   6.494  -7.599
  512   1HMD  HEC  93          1HMD      HEC  93  11.223   0.769  -3.966
  513   2HMD  HEC  93          2HMD      HEC  93  10.195   1.766  -4.981
  514   3HMD  HEC  93          3HMD      HEC  93  11.306   2.539  -3.818
  515   1HAD  HEC  93          1HAD      HEC  93  10.874  -0.688  -1.185
  516   2HAD  HEC  93          2HAD      HEC  93  10.562   0.375   0.061
  517   1HBD  HEC  93          1HBD      HEC  93  12.591   1.102  -0.069
  518   2HBD  HEC  93          2HBD      HEC  93  11.808   2.238  -1.127
  Start of MODEL   12
    1   1H    VAL  22          1H        VAL  22 -14.356   4.159   0.227
    2   2H    VAL  22          2H        VAL  22 -13.219   4.107   1.422
    3   3H    VAL  22          3H        VAL  22 -13.996   5.554   1.077
    4    HA   VAL  22           HA       VAL  22 -13.101   5.396  -1.158
    5    HB   VAL  22           HB       VAL  22 -10.863   5.254   0.923
    6   1HG1  VAL  22          1HG1      VAL  22  -9.741   6.742  -0.744
    7   2HG1  VAL  22          2HG1      VAL  22 -10.097   5.142  -1.414
    8   3HG1  VAL  22          3HG1      VAL  22 -11.107   6.537  -1.845
    9   1HG2  VAL  22          1HG2      VAL  22 -12.539   7.643   0.023
   10   2HG2  VAL  22          2HG2      VAL  22 -12.470   6.962   1.668
   11   3HG2  VAL  22          3HG2      VAL  22 -11.043   7.738   0.971
   12    H    ASP  23           H        ASP  23 -12.894   3.787  -2.521
   13    HA   ASP  23           HA       ASP  23 -12.710   1.139  -1.844
   14   1HB   ASP  23          1HB       ASP  23 -12.207   2.508  -4.513
   15   2HB   ASP  23          2HB       ASP  23 -12.583   0.786  -4.299
   16    H    ALA  24           H        ALA  24 -11.005   0.596  -0.658
   17    HA   ALA  24           HA       ALA  24  -8.469   1.425  -0.660
   18   1HB   ALA  24          1HB       ALA  24  -9.324  -1.455  -0.213
   19   2HB   ALA  24          2HB       ALA  24  -7.860  -0.644   0.410
   20   3HB   ALA  24          3HB       ALA  24  -9.470  -0.159   0.983
   21    H    GLU  25           H        GLU  25  -9.560  -1.478  -2.494
   22    HA   GLU  25           HA       GLU  25  -7.010  -1.927  -3.617
   23   1HB   GLU  25          1HB       GLU  25  -7.890  -3.691  -4.711
   24   2HB   GLU  25          2HB       GLU  25  -9.162  -3.451  -3.502
   25   1HG   GLU  25          1HG       GLU  25 -10.458  -2.179  -5.173
   26   2HG   GLU  25          2HG       GLU  25  -9.201  -2.574  -6.401
   27    H    ALA  26           H        ALA  26  -9.768   0.066  -4.797
   28    HA   ALA  26           HA       ALA  26  -8.718   0.704  -7.336
   29   1HB   ALA  26          1HB       ALA  26 -10.242   2.654  -5.594
   30   2HB   ALA  26          2HB       ALA  26 -10.110   2.620  -7.351
   31   3HB   ALA  26          3HB       ALA  26 -11.007   1.333  -6.519
   32    H    VAL  27           H        VAL  27  -8.205   2.294  -4.150
   33    HA   VAL  27           HA       VAL  27  -6.289   4.231  -5.016
   34    HB   VAL  27           HB       VAL  27  -6.357   2.773  -2.339
   35   1HG1  VAL  27          1HG1      VAL  27  -4.204   3.909  -2.682
   36   2HG1  VAL  27          2HG1      VAL  27  -5.051   5.392  -3.168
   37   3HG1  VAL  27          3HG1      VAL  27  -5.187   4.795  -1.508
   38   1HG2  VAL  27          1HG2      VAL  27  -7.646   4.605  -1.512
   39   2HG2  VAL  27          2HG2      VAL  27  -7.540   5.481  -3.060
   40   3HG2  VAL  27          3HG2      VAL  27  -8.503   4.000  -2.927
   41    H    VAL  28           H        VAL  28  -5.615   0.738  -3.822
   42    HA   VAL  28           HA       VAL  28  -2.884   1.298  -4.632
   43    HB   VAL  28           HB       VAL  28  -3.957  -1.316  -3.889
   44   1HG1  VAL  28          1HG1      VAL  28  -1.308  -0.068  -3.022
   45   2HG1  VAL  28          2HG1      VAL  28  -1.742  -1.763  -2.913
   46   3HG1  VAL  28          3HG1      VAL  28  -1.494  -1.030  -4.482
   47   1HG2  VAL  28          1HG2      VAL  28  -4.797  -0.037  -2.028
   48   2HG2  VAL  28          2HG2      VAL  28  -3.202  -0.500  -1.446
   49   3HG2  VAL  28          3HG2      VAL  28  -3.427   1.109  -2.117
   50    H    GLN  29           H        GLN  29  -5.524   0.531  -6.450
   51    HA   GLN  29           HA       GLN  29  -3.957  -0.768  -8.588
   52   1HB   GLN  29          1HB       GLN  29  -6.900  -0.312  -8.086
   53   2HB   GLN  29          2HB       GLN  29  -6.322  -0.887  -9.625
   54   1HG   GLN  29          1HG       GLN  29  -5.744  -2.314  -7.002
   55   2HG   GLN  29          2HG       GLN  29  -7.022  -2.729  -8.147
   56   1HE2  GLN  29          1HE2      GLN  29  -3.719  -3.242  -7.329
   57   2HE2  GLN  29          2HE2      GLN  29  -3.226  -4.018  -8.823
   58    H    GLN  30           H        GLN  30  -4.456   2.382  -7.531
   59    HA   GLN  30           HA       GLN  30  -3.725   3.299 -10.277
   60   1HB   GLN  30          1HB       GLN  30  -6.256   3.721  -9.091
   61   2HB   GLN  30          2HB       GLN  30  -5.413   5.259  -8.900
   62   1HG   GLN  30          1HG       GLN  30  -4.882   5.219 -11.355
   63   2HG   GLN  30          2HG       GLN  30  -5.686   3.644 -11.486
   64   1HE2  GLN  30          1HE2      GLN  30  -6.323   7.060 -10.498
   65   2HE2  GLN  30          2HE2      GLN  30  -7.998   7.029 -11.029
   66    H    LYS  31           H        LYS  31  -3.214   3.747  -6.846
   67    HA   LYS  31           HA       LYS  31  -1.506   6.136  -7.369
   68   1HB   LYS  31          1HB       LYS  31  -3.392   5.307  -5.248
   69   2HB   LYS  31          2HB       LYS  31  -1.838   5.796  -4.607
   70   1HG   LYS  31          1HG       LYS  31  -1.960   7.922  -5.802
   71   2HG   LYS  31          2HG       LYS  31  -3.470   7.431  -6.600
   72   1HD   LYS  31          1HD       LYS  31  -4.640   7.349  -4.442
   73   2HD   LYS  31          2HD       LYS  31  -3.122   7.661  -3.580
   74   1HE   LYS  31          1HE       LYS  31  -2.998   9.876  -4.918
   75   2HE   LYS  31          2HE       LYS  31  -4.679   9.558  -5.401
   76   1HZ   LYS  31          1HZ       LYS  31  -4.574  10.955  -3.449
   77   2HZ   LYS  31          2HZ       LYS  31  -5.221   9.527  -3.016
   78   3HZ   LYS  31          3HZ       LYS  31  -3.651   9.847  -2.654
   79    H    CYS  32           H        CYS  32  -1.317   2.783  -6.734
   80    HA   CYS  32           HA       CYS  32   1.411   3.037  -5.559
   81   1HB   CYS  32          1HB       CYS  32  -0.567   0.830  -5.209
   82   2HB   CYS  32          2HB       CYS  32   0.870   1.105  -4.231
   83    H    ILE  33           H        ILE  33  -0.627   1.037  -7.751
   84    HA   ILE  33           HA       ILE  33   1.288  -0.707  -8.706
   85    HB   ILE  33           HB       ILE  33   0.124  -0.720 -10.854
   86   1HG1  ILE  33          1HG1      ILE  33  -1.750   1.443  -9.806
   87   2HG1  ILE  33          2HG1      ILE  33  -0.443   1.787 -10.940
   88   1HG2  ILE  33          1HG2      ILE  33  -1.823  -0.560  -8.611
   89   2HG2  ILE  33          2HG2      ILE  33  -1.983  -1.608 -10.010
   90   3HG2  ILE  33          3HG2      ILE  33  -0.735  -1.937  -8.791
   91   1HD1  ILE  33          1HD1      ILE  33  -2.697  -0.152 -11.526
   92   2HD1  ILE  33          2HD1      ILE  33  -2.508   1.493 -12.151
   93   3HD1  ILE  33          3HD1      ILE  33  -1.331   0.240 -12.587
   94    H    SER  34           H        SER  34   1.001   2.686  -9.357
   95    HA   SER  34           HA       SER  34   2.477   3.243 -11.552
   96   1HB   SER  34          1HB       SER  34   1.390   4.793  -9.772
   97   2HB   SER  34          2HB       SER  34   2.967   4.741  -8.954
   98    HG   SER  34           HG       SER  34   2.645   6.491 -10.498
   99    H    CYS  35           H        CYS  35   3.802   2.161  -8.398
  100    HA   CYS  35           HA       CYS  35   6.449   1.778  -9.755
  101   1HB   CYS  35          1HB       CYS  35   6.212   2.180  -6.778
  102   2HB   CYS  35          2HB       CYS  35   7.624   2.260  -7.801
  103    H    HIS  36           H        HIS  36   4.090   0.447  -7.351
  104    HA   HIS  36           HA       HIS  36   5.687  -1.937  -6.994
  105   1HB   HIS  36          1HB       HIS  36   2.878  -1.174  -6.214
  106   2HB   HIS  36          2HB       HIS  36   3.608  -2.748  -5.824
  107    HD1  HIS  36           1HD      HIS  36   5.792  -2.714  -4.149
  108    HD2  HIS  36           2HD      HIS  36   3.653   0.904  -4.691
  109    HE1  HIS  36           1HE      HIS  36   6.493  -1.136  -2.283
  110    H    GLY  37           H        GLY  37   3.556  -1.072  -9.570
  111   1HA   GLY  37          1HA       GLY  37   3.337  -2.286 -11.525
  112   2HA   GLY  37          2HA       GLY  37   3.848  -3.783 -10.725
  113    H    GLY  38           H        GLY  38   1.553  -3.512 -12.415
  114   1HA   GLY  38          1HA       GLY  38  -0.914  -2.935 -11.497
  115   2HA   GLY  38          2HA       GLY  38  -0.587  -4.336 -12.513
  116    H    ASP  39           H        ASP  39   0.513  -6.210 -11.091
  117    HA   ASP  39           HA       ASP  39  -1.569  -7.052  -9.266
  118   1HB   ASP  39          1HB       ASP  39   1.010  -8.403 -10.137
  119   2HB   ASP  39          2HB       ASP  39  -0.350  -9.178  -9.307
  120    H    LEU  40           H        LEU  40   0.972  -5.028  -8.630
  121    HA   LEU  40           HA       LEU  40   2.151  -4.408  -6.827
  122   1HB   LEU  40          1HB       LEU  40   0.056  -5.973  -5.268
  123   2HB   LEU  40          2HB       LEU  40   1.124  -4.748  -4.625
  124    HG   LEU  40           HG       LEU  40  -0.505  -3.937  -7.050
  125   1HD1  LEU  40          1HD1      LEU  40  -1.726  -4.287  -4.299
  126   2HD1  LEU  40          2HD1      LEU  40  -2.403  -3.308  -5.623
  127   3HD1  LEU  40          3HD1      LEU  40  -2.222  -5.062  -5.823
  128   1HD2  LEU  40          1HD2      LEU  40  -0.304  -1.812  -6.095
  129   2HD2  LEU  40          2HD2      LEU  40   0.098  -2.498  -4.488
  130   3HD2  LEU  40          3HD2      LEU  40   1.255  -2.579  -5.812
  131    H    THR  41           H        THR  41   2.787  -6.896  -8.233
  132    HA   THR  41           HA       THR  41   4.097  -8.712  -6.435
  133    HB   THR  41           HB       THR  41   4.868  -9.466  -8.843
  134    HG1  THR  41           1HG      THR  41   3.416  -8.544 -10.428
  135   1HG2  THR  41          1HG2      THR  41   1.914  -9.374  -8.057
  136   2HG2  THR  41          2HG2      THR  41   2.606 -10.431  -9.304
  137   3HG2  THR  41          3HG2      THR  41   3.086 -10.622  -7.606
  138    H    GLY  42           H        GLY  42   4.908  -5.567  -7.641
  139   1HA   GLY  42          1HA       GLY  42   6.703  -4.488  -6.712
  140   2HA   GLY  42          2HA       GLY  42   7.603  -6.000  -6.516
  141    H    ALA  43           H        ALA  43   6.423  -3.709  -8.970
  142    HA   ALA  43           HA       ALA  43   8.305  -4.666 -10.998
  143   1HB   ALA  43          1HB       ALA  43   6.451  -2.254 -10.927
  144   2HB   ALA  43          2HB       ALA  43   7.453  -2.734 -12.312
  145   3HB   ALA  43          3HB       ALA  43   6.182  -3.816 -11.712
  146    H    SER  44           H        SER  44   7.975  -1.341  -9.748
  147    HA   SER  44           HA       SER  44  10.897  -0.896 -10.004
  148   1HB   SER  44          1HB       SER  44   8.931   0.564 -11.058
  149   2HB   SER  44          2HB       SER  44   8.860   1.254  -9.432
  150    HG   SER  44           HG       SER  44  11.163   1.106 -11.101
  151    H    ALA  45           H        ALA  45   8.944  -2.067  -7.680
  152    HA   ALA  45           HA       ALA  45  10.315  -0.903  -5.345
  153   1HB   ALA  45          1HB       ALA  45   8.272   0.496  -5.769
  154   2HB   ALA  45          2HB       ALA  45   7.297  -0.973  -5.815
  155   3HB   ALA  45          3HB       ALA  45   8.088  -0.492  -4.310
  156    HA   PRO  46           HA       PRO  46   9.944  -5.240  -4.372
  157   1HB   PRO  46          1HB       PRO  46   9.306  -5.361  -1.681
  158   2HB   PRO  46          2HB       PRO  46  10.923  -4.930  -2.308
  159   1HG   PRO  46          1HG       PRO  46   8.701  -3.054  -1.480
  160   2HG   PRO  46          2HG       PRO  46  10.418  -3.003  -0.976
  161   1HD   PRO  46          1HD       PRO  46   9.499  -1.440  -2.980
  162   2HD   PRO  46          2HD       PRO  46  11.090  -2.225  -3.152
  163    H    ALA  47           H        ALA  47   8.410  -6.927  -3.765
  164    HA   ALA  47           HA       ALA  47   5.747  -6.457  -4.707
  165   1HB   ALA  47          1HB       ALA  47   6.787  -8.798  -3.039
  166   2HB   ALA  47          2HB       ALA  47   5.378  -8.780  -4.117
  167   3HB   ALA  47          3HB       ALA  47   7.017  -8.669  -4.789
  168    H    ILE  48           H        ILE  48   4.024  -5.693  -3.570
  169    HA   ILE  48           HA       ILE  48   4.121  -5.978  -0.609
  170    HB   ILE  48           HB       ILE  48   3.154  -3.848  -0.168
  171   1HG1  ILE  48          1HG1      ILE  48   3.302  -2.058  -1.985
  172   2HG1  ILE  48          2HG1      ILE  48   3.299  -3.364  -3.152
  173   1HG2  ILE  48          1HG2      ILE  48   5.601  -4.144  -0.184
  174   2HG2  ILE  48          2HG2      ILE  48   5.642  -3.593  -1.871
  175   3HG2  ILE  48          3HG2      ILE  48   5.114  -2.493  -0.593
  176   1HD1  ILE  48          1HD1      ILE  48   1.003  -3.968  -2.372
  177   2HD1  ILE  48          2HD1      ILE  48   1.187  -2.905  -0.957
  178   3HD1  ILE  48          3HD1      ILE  48   1.071  -2.203  -2.567
  179    H    ASP  49           H        ASP  49   2.513  -6.959  -3.341
  180    HA   ASP  49           HA       ASP  49  -0.147  -7.222  -2.641
  181   1HB   ASP  49          1HB       ASP  49  -0.066  -9.323  -3.785
  182   2HB   ASP  49          2HB       ASP  49   1.069  -8.258  -4.617
  183    H    LYS  50           H        LYS  50   2.635  -8.950  -1.312
  184    HA   LYS  50           HA       LYS  50   0.962 -10.366   0.661
  185   1HB   LYS  50          1HB       LYS  50   3.303 -11.048  -0.862
  186   2HB   LYS  50          2HB       LYS  50   3.795 -11.015   0.831
  187   1HG   LYS  50          1HG       LYS  50   3.013 -13.216   0.463
  188   2HG   LYS  50          2HG       LYS  50   1.719 -12.383   1.347
  189   1HD   LYS  50          1HD       LYS  50   1.029 -11.844  -1.300
  190   2HD   LYS  50          2HD       LYS  50   1.811 -13.397  -1.501
  191   1HE   LYS  50          1HE       LYS  50  -0.597 -12.651   0.217
  192   2HE   LYS  50          2HE       LYS  50  -0.600 -13.722  -1.181
  193   1HZ   LYS  50          1HZ       LYS  50  -0.691 -14.696   1.107
  194   2HZ   LYS  50          2HZ       LYS  50   0.447 -15.396   0.104
  195   3HZ   LYS  50          3HZ       LYS  50   0.855 -14.329   1.307
  196    H    ALA  51           H        ALA  51   2.207  -7.376   0.728
  197    HA   ALA  51           HA       ALA  51   3.827  -7.289   3.040
  198   1HB   ALA  51          1HB       ALA  51   3.280  -4.932   3.122
  199   2HB   ALA  51          2HB       ALA  51   3.540  -5.457   1.442
  200   3HB   ALA  51          3HB       ALA  51   1.891  -5.175   2.050
  201    H    GLY  52           H        GLY  52   0.280  -7.629   2.711
  202   1HA   GLY  52          1HA       GLY  52  -0.345  -7.079   5.440
  203   2HA   GLY  52          2HA       GLY  52  -1.288  -8.090   4.316
  204    H    ALA  53           H        ALA  53   1.032  -9.954   3.889
  205    HA   ALA  53           HA       ALA  53   0.564 -11.686   6.222
  206   1HB   ALA  53          1HB       ALA  53   1.936 -13.289   5.030
  207   2HB   ALA  53          2HB       ALA  53   0.725 -12.626   3.916
  208   3HB   ALA  53          3HB       ALA  53   2.413 -12.076   3.831
  209    H    ASN  54           H        ASN  54   3.200  -9.805   4.730
  210    HA   ASN  54           HA       ASN  54   5.200 -10.686   6.626
  211   1HB   ASN  54          1HB       ASN  54   5.204  -8.294   4.744
  212   2HB   ASN  54          2HB       ASN  54   6.612  -8.930   5.601
  213   1HD2  ASN  54          1HD2      ASN  54   5.954  -8.704   2.616
  214   2HD2  ASN  54          2HD2      ASN  54   6.241 -10.332   2.029
  215    H    TYR  55           H        TYR  55   3.187  -7.786   6.382
  216    HA   TYR  55           HA       TYR  55   4.228  -6.668   8.938
  217   1HB   TYR  55          1HB       TYR  55   3.399  -5.103   6.474
  218   2HB   TYR  55          2HB       TYR  55   4.108  -4.472   7.950
  219    HD1  TYR  55           1HD      TYR  55   4.948  -4.010   5.023
  220    HD2  TYR  55           2HD      TYR  55   6.444  -6.488   8.216
  221    HE1  TYR  55           1HE      TYR  55   7.214  -3.920   4.039
  222    HE2  TYR  55           2HE      TYR  55   8.691  -6.455   7.182
  223    HH   TYR  55           HH       TYR  55   9.417  -4.578   4.212
  224    H    SER  56           H        SER  56   2.608  -5.151   9.885
  225    HA   SER  56           HA       SER  56  -0.193  -6.129   9.405
  226   1HB   SER  56          1HB       SER  56   1.048  -4.644  11.741
  227   2HB   SER  56          2HB       SER  56  -0.662  -5.128  11.613
  228    HG   SER  56           HG       SER  56   0.682  -6.639  12.747
  229    H    GLU  57           H        GLU  57  -1.963  -4.555   9.628
  230    HA   GLU  57           HA       GLU  57  -1.912  -2.595   7.659
  231   1HB   GLU  57          1HB       GLU  57  -3.941  -1.641   8.872
  232   2HB   GLU  57          2HB       GLU  57  -4.072  -3.275   8.270
  233   1HG   GLU  57          1HG       GLU  57  -3.292  -2.842  11.174
  234   2HG   GLU  57          2HG       GLU  57  -4.956  -2.665  10.635
  235    H    GLU  58           H        GLU  58  -1.388  -2.114  11.172
  236    HA   GLU  58           HA       GLU  58  -1.040   0.640  11.240
  237   1HB   GLU  58          1HB       GLU  58   0.454   0.191  13.207
  238   2HB   GLU  58          2HB       GLU  58  -1.120  -0.604  13.258
  239   1HG   GLU  58          1HG       GLU  58  -0.021  -2.744  12.478
  240   2HG   GLU  58          2HG       GLU  58   1.541  -1.911  12.620
  241    H    GLU  59           H        GLU  59   1.442  -1.797  10.361
  242    HA   GLU  59           HA       GLU  59   3.591   0.091  10.070
  243   1HB   GLU  59          1HB       GLU  59   3.187  -2.686   8.876
  244   2HB   GLU  59          2HB       GLU  59   4.725  -1.852   8.967
  245   1HG   GLU  59          1HG       GLU  59   4.504  -1.791  11.484
  246   2HG   GLU  59          2HG       GLU  59   3.044  -2.787  11.326
  247    H    ILE  60           H        ILE  60   1.406  -1.543   7.770
  248    HA   ILE  60           HA       ILE  60   2.608  -0.439   5.409
  249    HB   ILE  60           HB       ILE  60  -0.231  -1.403   5.816
  250   1HG1  ILE  60          1HG1      ILE  60   2.182  -2.986   4.810
  251   2HG1  ILE  60          2HG1      ILE  60   1.582  -3.079   6.458
  252   1HG2  ILE  60          1HG2      ILE  60   0.956  -1.894   3.163
  253   2HG2  ILE  60          2HG2      ILE  60  -0.607  -1.196   3.603
  254   3HG2  ILE  60          3HG2      ILE  60   0.843  -0.178   3.529
  255   1HD1  ILE  60          1HD1      ILE  60   0.686  -4.933   5.355
  256   2HD1  ILE  60          2HD1      ILE  60  -0.658  -3.802   5.585
  257   3HD1  ILE  60          3HD1      ILE  60   0.118  -3.961   3.988
  258    H    LEU  61           H        LEU  61  -0.186   0.540   7.372
  259    HA   LEU  61           HA       LEU  61  -1.045   2.869   6.117
  260   1HB   LEU  61          1HB       LEU  61  -2.041   1.749   8.121
  261   2HB   LEU  61          2HB       LEU  61  -0.745   2.359   9.115
  262    HG   LEU  61           HG       LEU  61  -1.420   4.702   8.520
  263   1HD1  LEU  61          1HD1      LEU  61  -3.784   3.238   7.307
  264   2HD1  LEU  61          2HD1      LEU  61  -3.762   4.987   7.634
  265   3HD1  LEU  61          3HD1      LEU  61  -2.653   4.291   6.448
  266   1HD2  LEU  61          1HD2      LEU  61  -2.093   3.693  10.641
  267   2HD2  LEU  61          2HD2      LEU  61  -3.394   4.720  10.010
  268   3HD2  LEU  61          3HD2      LEU  61  -3.512   2.951   9.866
  269    H    ASP  62           H        ASP  62   1.445   2.501   8.705
  270    HA   ASP  62           HA       ASP  62   2.154   5.222   8.798
  271   1HB   ASP  62          1HB       ASP  62   2.888   3.498  10.453
  272   2HB   ASP  62          2HB       ASP  62   4.034   2.868   9.261
  273    H    ILE  63           H        ILE  63   3.456   2.563   6.796
  274    HA   ILE  63           HA       ILE  63   5.499   4.166   5.535
  275    HB   ILE  63           HB       ILE  63   4.147   1.528   4.899
  276   1HG1  ILE  63          1HG1      ILE  63   6.651   0.901   4.548
  277   2HG1  ILE  63          2HG1      ILE  63   7.018   2.447   5.316
  278   1HG2  ILE  63          1HG2      ILE  63   5.525   1.416   2.780
  279   2HG2  ILE  63          2HG2      ILE  63   4.072   2.388   2.710
  280   3HG2  ILE  63          3HG2      ILE  63   5.690   3.157   2.851
  281   1HD1  ILE  63          1HD1      ILE  63   5.760   1.652   7.330
  282   2HD1  ILE  63          2HD1      ILE  63   5.378   0.138   6.458
  283   3HD1  ILE  63          3HD1      ILE  63   7.054   0.524   6.875
  284    H    ILE  64           H        ILE  64   2.079   3.557   4.585
  285    HA   ILE  64           HA       ILE  64   2.286   4.975   2.101
  286    HB   ILE  64           HB       ILE  64  -0.058   4.473   3.966
  287   1HG1  ILE  64          1HG1      ILE  64   0.452   3.092   1.329
  288   2HG1  ILE  64          2HG1      ILE  64   1.355   2.544   2.740
  289   1HG2  ILE  64          1HG2      ILE  64   0.054   5.614   1.157
  290   2HG2  ILE  64          2HG2      ILE  64  -1.384   4.797   1.801
  291   3HG2  ILE  64          3HG2      ILE  64  -0.769   6.265   2.586
  292   1HD1  ILE  64          1HD1      ILE  64  -0.652   1.239   2.566
  293   2HD1  ILE  64          2HD1      ILE  64  -0.746   2.231   4.014
  294   3HD1  ILE  64          3HD1      ILE  64  -1.676   2.700   2.588
  295    H    LEU  65           H        LEU  65   1.358   6.019   5.379
  296    HA   LEU  65           HA       LEU  65   0.744   8.702   4.616
  297   1HB   LEU  65          1HB       LEU  65   1.453   7.416   7.272
  298   2HB   LEU  65          2HB       LEU  65   0.887   9.080   7.128
  299    HG   LEU  65           HG       LEU  65  -0.828   6.686   6.224
  300   1HD1  LEU  65          1HD1      LEU  65  -0.885   8.330   8.810
  301   2HD1  LEU  65          2HD1      LEU  65  -1.997   7.020   8.366
  302   3HD1  LEU  65          3HD1      LEU  65  -0.287   6.666   8.703
  303   1HD2  LEU  65          1HD2      LEU  65  -1.402   8.751   5.175
  304   2HD2  LEU  65          2HD2      LEU  65  -2.631   8.287   6.370
  305   3HD2  LEU  65          3HD2      LEU  65  -1.493   9.590   6.752
  306    H    ASN  66           H        ASN  66   3.692   7.158   5.738
  307    HA   ASN  66           HA       ASN  66   5.180   9.654   6.199
  308   1HB   ASN  66          1HB       ASN  66   5.751   6.685   6.601
  309   2HB   ASN  66          2HB       ASN  66   6.994   7.870   6.767
  310   1HD2  ASN  66          1HD2      ASN  66   3.812   7.006   7.980
  311   2HD2  ASN  66          2HD2      ASN  66   4.205   7.279   9.639
  312    H    GLY  67           H        GLY  67   5.167   6.934   3.948
  313   1HA   GLY  67          1HA       GLY  67   6.167   6.942   1.765
  314   2HA   GLY  67          2HA       GLY  67   7.440   8.026   2.355
  315    H    GLN  68           H        GLN  68   8.605   6.103   1.342
  316    HA   GLN  68           HA       GLN  68   9.750   4.503   3.486
  317   1HB   GLN  68          1HB       GLN  68   8.283   2.615   2.490
  318   2HB   GLN  68          2HB       GLN  68   8.711   3.200   0.913
  319   1HG   GLN  68          1HG       GLN  68   9.733   1.179   1.642
  320   2HG   GLN  68          2HG       GLN  68  10.921   2.398   1.123
  321   1HE2  GLN  68          1HE2      GLN  68   9.538   0.478   3.778
  322   2HE2  GLN  68          2HE2      GLN  68  10.962   0.673   4.779
  323    H    GLY  69           H        GLY  69  12.087   3.964   2.617
  324   1HA   GLY  69          1HA       GLY  69  13.585   5.983   1.947
  325   2HA   GLY  69          2HA       GLY  69  13.939   4.385   1.285
  326    H    GLY  70           H        GLY  70  12.836   3.889  -0.919
  327   1HA   GLY  70          1HA       GLY  70  13.123   6.200  -2.717
  328   2HA   GLY  70          2HA       GLY  70  12.960   4.500  -3.139
  329    H    MET  71           H        MET  71  10.672   6.015  -0.932
  330    HA   MET  71           HA       MET  71   8.559   6.079  -3.055
  331   1HB   MET  71          1HB       MET  71   8.557   4.006  -1.803
  332   2HB   MET  71          2HB       MET  71   8.585   4.889  -0.306
  333   1HG   MET  71          1HG       MET  71   6.412   5.767  -0.587
  334   2HG   MET  71          2HG       MET  71   6.220   5.078  -2.190
  335   1HE   MET  71          1HE       MET  71   3.829   3.405   0.638
  336   2HE   MET  71          2HE       MET  71   4.633   4.969   0.894
  337   3HE   MET  71          3HE       MET  71   3.897   4.587  -0.680
  338    HA   PRO  72           HA       PRO  72   7.925  10.055  -0.887
  339   1HB   PRO  72          1HB       PRO  72   5.810  11.021  -2.351
  340   2HB   PRO  72          2HB       PRO  72   7.498  11.032  -2.938
  341   1HG   PRO  72          1HG       PRO  72   5.327   9.038  -3.575
  342   2HG   PRO  72          2HG       PRO  72   6.466   9.817  -4.705
  343   1HD   PRO  72          1HD       PRO  72   6.832   7.302  -3.678
  344   2HD   PRO  72          2HD       PRO  72   8.224   8.373  -4.061
  345    H    GLY  73           H        GLY  73   6.126  10.973   0.459
  346   1HA   GLY  73          1HA       GLY  73   4.476   8.784   1.610
  347   2HA   GLY  73          2HA       GLY  73   5.284  10.106   2.483
  348    H    GLY  74           H        GLY  74   2.452   9.286   2.215
  349   1HA   GLY  74          1HA       GLY  74   0.516  10.579   2.556
  350   2HA   GLY  74          2HA       GLY  74   1.339  12.029   1.934
  351    H    ILE  75           H        ILE  75   1.692   9.213  -0.008
  352    HA   ILE  75           HA       ILE  75   0.317  10.106  -2.303
  353    HB   ILE  75           HB       ILE  75   0.932   7.326  -1.229
  354   1HG1  ILE  75          1HG1      ILE  75   2.377   8.696  -3.516
  355   2HG1  ILE  75          2HG1      ILE  75   2.837   9.075  -1.852
  356   1HG2  ILE  75          1HG2      ILE  75   0.676   6.599  -3.649
  357   2HG2  ILE  75          2HG2      ILE  75  -0.830   7.055  -2.859
  358   3HG2  ILE  75          3HG2      ILE  75  -0.041   8.178  -3.990
  359   1HD1  ILE  75          1HD1      ILE  75   2.758   6.264  -2.981
  360   2HD1  ILE  75          2HD1      ILE  75   4.214   7.232  -2.754
  361   3HD1  ILE  75          3HD1      ILE  75   3.255   6.735  -1.347
  362    H    ALA  76           H        ALA  76  -0.773   8.296   0.584
  363    HA   ALA  76           HA       ALA  76  -3.584   8.939  -0.071
  364   1HB   ALA  76          1HB       ALA  76  -2.793   6.350   1.288
  365   2HB   ALA  76          2HB       ALA  76  -4.307   6.721   0.505
  366   3HB   ALA  76          3HB       ALA  76  -2.878   6.396  -0.483
  367    H    LYS  77           H        LYS  77  -4.635   9.681   1.861
  368    HA   LYS  77           HA       LYS  77  -3.295   9.360   4.416
  369   1HB   LYS  77          1HB       LYS  77  -3.826  12.027   3.053
  370   2HB   LYS  77          2HB       LYS  77  -3.840  11.876   4.797
  371   1HG   LYS  77          1HG       LYS  77  -1.444  10.601   3.810
  372   2HG   LYS  77          2HG       LYS  77  -1.562  12.171   3.031
  373   1HD   LYS  77          1HD       LYS  77  -1.374  13.310   5.125
  374   2HD   LYS  77          2HD       LYS  77  -1.996  11.915   6.006
  375   1HE   LYS  77          1HE       LYS  77   0.238  11.936   6.664
  376   2HE   LYS  77          2HE       LYS  77   0.101  10.643   5.485
  377   1HZ   LYS  77          1HZ       LYS  77   0.974  12.339   3.858
  378   2HZ   LYS  77          2HZ       LYS  77   1.449  13.199   5.180
  379   3HZ   LYS  77          3HZ       LYS  77   2.001  11.653   4.943
  380    H    GLY  78           H        GLY  78  -4.709   9.831   6.197
  381   1HA   GLY  78          1HA       GLY  78  -6.641   9.355   7.305
  382   2HA   GLY  78          2HA       GLY  78  -7.455  10.330   6.067
  383    H    ALA  79           H        ALA  79  -9.241   9.065   5.786
  384    HA   ALA  79           HA       ALA  79  -9.721   6.439   5.754
  385   1HB   ALA  79          1HB       ALA  79 -11.441   8.128   5.357
  386   2HB   ALA  79          2HB       ALA  79 -10.814   8.414   3.714
  387   3HB   ALA  79          3HB       ALA  79 -11.530   6.844   4.137
  388    H    GLU  80           H        GLU  80  -8.067   8.156   3.119
  389    HA   GLU  80           HA       GLU  80  -8.173   6.060   1.204
  390   1HB   GLU  80          1HB       GLU  80  -7.517   8.647   1.146
  391   2HB   GLU  80          2HB       GLU  80  -5.887   8.049   1.328
  392   1HG   GLU  80          1HG       GLU  80  -5.870   7.266  -0.890
  393   2HG   GLU  80          2HG       GLU  80  -7.536   6.725  -0.802
  394    H    ALA  81           H        ALA  81  -5.564   6.979   3.610
  395    HA   ALA  81           HA       ALA  81  -3.911   4.733   2.860
  396   1HB   ALA  81          1HB       ALA  81  -3.098   6.923   3.801
  397   2HB   ALA  81          2HB       ALA  81  -3.788   6.446   5.365
  398   3HB   ALA  81          3HB       ALA  81  -2.480   5.489   4.615
  399    H    GLU  82           H        GLU  82  -6.312   5.438   5.430
  400    HA   GLU  82           HA       GLU  82  -5.927   3.100   7.013
  401   1HB   GLU  82          1HB       GLU  82  -8.398   4.773   6.475
  402   2HB   GLU  82          2HB       GLU  82  -8.267   3.554   7.744
  403   1HG   GLU  82          1HG       GLU  82  -6.535   4.772   8.885
  404   2HG   GLU  82          2HG       GLU  82  -6.350   5.926   7.562
  405    H    ALA  83           H        ALA  83  -8.219   3.704   4.317
  406    HA   ALA  83           HA       ALA  83  -9.334   1.116   4.213
  407   1HB   ALA  83          1HB       ALA  83 -10.051   1.728   1.953
  408   2HB   ALA  83          2HB       ALA  83 -10.289   3.076   3.061
  409   3HB   ALA  83          3HB       ALA  83  -8.917   3.094   1.926
  410    H    VAL  84           H        VAL  84  -6.538   2.517   2.362
  411    HA   VAL  84           HA       VAL  84  -5.736   0.159   1.047
  412    HB   VAL  84           HB       VAL  84  -3.996   2.362   2.239
  413   1HG1  VAL  84          1HG1      VAL  84  -2.239   1.315   0.734
  414   2HG1  VAL  84          2HG1      VAL  84  -2.612   0.375   2.176
  415   3HG1  VAL  84          3HG1      VAL  84  -3.284  -0.116   0.631
  416   1HG2  VAL  84          1HG2      VAL  84  -5.204   3.214   0.342
  417   2HG2  VAL  84          2HG2      VAL  84  -3.582   2.790  -0.231
  418   3HG2  VAL  84          3HG2      VAL  84  -4.967   1.720  -0.559
  419    H    ALA  85           H        ALA  85  -4.544   1.270   4.262
  420    HA   ALA  85           HA       ALA  85  -2.864  -0.860   4.805
  421   1HB   ALA  85          1HB       ALA  85  -2.976   1.211   6.085
  422   2HB   ALA  85          2HB       ALA  85  -4.551   0.748   6.771
  423   3HB   ALA  85          3HB       ALA  85  -3.104  -0.205   7.149
  424    H    ALA  86           H        ALA  86  -6.335  -0.589   5.766
  425    HA   ALA  86           HA       ALA  86  -6.508  -3.144   7.012
  426   1HB   ALA  86          1HB       ALA  86  -8.657  -1.545   5.551
  427   2HB   ALA  86          2HB       ALA  86  -8.941  -2.906   6.658
  428   3HB   ALA  86          3HB       ALA  86  -8.218  -1.403   7.266
  429    H    TRP  87           H        TRP  87  -7.357  -2.177   3.643
  430    HA   TRP  87           HA       TRP  87  -8.129  -4.750   2.719
  431   1HB   TRP  87          1HB       TRP  87  -8.705  -2.726   1.590
  432   2HB   TRP  87          2HB       TRP  87  -6.982  -2.308   1.411
  433    HD1  TRP  87           HD       TRP  87  -9.622  -4.521  -0.271
  434    HE1  TRP  87           1HE      TRP  87  -8.646  -5.472  -2.432
  435    HE3  TRP  87           3HE      TRP  87  -4.969  -2.382  -0.068
  436    HZ2  TRP  87           2HZ      TRP  87  -5.025  -5.304  -2.523
  437    HZ3  TRP  87           3HZ      TRP  87  -3.604  -2.484  -2.162
  438    HH2  TRP  87           HH       TRP  87  -4.433  -3.619  -4.161
  439    H    LEU  88           H        LEU  88  -4.943  -3.177   2.880
  440    HA   LEU  88           HA       LEU  88  -3.612  -5.174   1.318
  441   1HB   LEU  88          1HB       LEU  88  -2.967  -2.612   2.058
  442   2HB   LEU  88          2HB       LEU  88  -1.957  -3.535   3.141
  443    HG   LEU  88           HG       LEU  88  -0.996  -2.857   0.977
  444   1HD1  LEU  88          1HD1      LEU  88  -0.470  -5.210   2.207
  445   2HD1  LEU  88          2HD1      LEU  88  -1.036  -5.828   0.635
  446   3HD1  LEU  88          3HD1      LEU  88   0.286  -4.631   0.710
  447   1HD2  LEU  88          1HD2      LEU  88  -2.673  -2.730  -0.357
  448   2HD2  LEU  88          2HD2      LEU  88  -1.403  -3.702  -1.117
  449   3HD2  LEU  88          3HD2      LEU  88  -2.881  -4.509  -0.557
  450    H    ALA  89           H        ALA  89  -3.898  -4.497   4.795
  451    HA   ALA  89           HA       ALA  89  -2.449  -6.733   5.794
  452   1HB   ALA  89          1HB       ALA  89  -4.801  -5.246   6.986
  453   2HB   ALA  89          2HB       ALA  89  -3.768  -6.411   7.841
  454   3HB   ALA  89          3HB       ALA  89  -3.061  -4.917   7.207
  455    H    GLU  90           H        GLU  90  -5.777  -6.408   4.590
  456    HA   GLU  90           HA       GLU  90  -6.571  -9.111   5.223
  457   1HB   GLU  90          1HB       GLU  90  -8.165  -7.382   5.006
  458   2HB   GLU  90          2HB       GLU  90  -7.622  -6.917   3.414
  459   1HG   GLU  90          1HG       GLU  90  -8.627  -9.731   3.633
  460   2HG   GLU  90          2HG       GLU  90  -9.800  -8.427   3.818
  461    H    LYS  91           H        LYS  91  -4.555  -7.765   2.724
  462    HA   LYS  91           HA       LYS  91  -5.482  -9.204   0.719
  463   1HB   LYS  91          1HB       LYS  91  -4.199  -7.067   0.673
  464   2HB   LYS  91          2HB       LYS  91  -2.700  -7.993   0.680
  465   1HG   LYS  91          1HG       LYS  91  -3.389  -7.144  -1.534
  466   2HG   LYS  91          2HG       LYS  91  -3.262  -8.894  -1.563
  467   1HD   LYS  91          1HD       LYS  91  -5.895  -7.479  -0.977
  468   2HD   LYS  91          2HD       LYS  91  -5.360  -7.713  -2.644
  469   1HE   LYS  91          1HE       LYS  91  -5.739  -9.958  -2.668
  470   2HE   LYS  91          2HE       LYS  91  -5.272 -10.224  -1.007
  471   1HZ   LYS  91          1HZ       LYS  91  -7.390  -9.292  -0.290
  472   2HZ   LYS  91          2HZ       LYS  91  -7.844  -8.989  -1.826
  473   3HZ   LYS  91          3HZ       LYS  91  -7.645 -10.536  -1.298
  474    H    LYS  92           H        LYS  92  -4.505 -11.146   2.748
  475    HA   LYS  92           HA       LYS  92  -1.684 -11.567   1.987
  476   1HB   LYS  92          1HB       LYS  92  -1.373 -11.634   4.268
  477   2HB   LYS  92          2HB       LYS  92  -2.456 -10.282   3.777
  478   1HG   LYS  92          1HG       LYS  92  -4.350 -11.271   4.767
  479   2HG   LYS  92          2HG       LYS  92  -3.623 -12.882   4.878
  480   1HD   LYS  92          1HD       LYS  92  -2.200 -12.271   6.672
  481   2HD   LYS  92          2HD       LYS  92  -2.398 -10.555   6.341
  482   1HE   LYS  92          1HE       LYS  92  -5.026 -11.566   6.917
  483   2HE   LYS  92          2HE       LYS  92  -3.945 -12.230   8.147
  484   1HZ   LYS  92          1HZ       LYS  92  -4.145  -9.404   7.382
  485   2HZ   LYS  92          2HZ       LYS  92  -4.858 -10.038   8.726
  486   3HZ   LYS  92          3HZ       LYS  92  -3.210  -9.971   8.603
  487    HHA  HEC  93           HHA      HEC  93   8.587  -0.170   0.416
  488    HHB  HEC  93           HHB      HEC  93   2.149  -0.016   0.686
  489    HHC  HEC  93           HHC      HEC  93   2.335   4.321  -4.083
  490    HHD  HEC  93           HHD      HEC  93   8.563   3.165  -4.946
  491   1HMA  HEC  93          1HMA      HEC  93   3.155  -0.707   2.861
  492   2HMA  HEC  93          2HMA      HEC  93   3.515  -2.276   2.094
  493   3HMA  HEC  93          3HMA      HEC  93   4.558  -1.640   3.381
  494   1HAA  HEC  93          1HAA      HEC  93   6.819  -1.698   3.194
  495   2HAA  HEC  93          2HAA      HEC  93   7.921  -0.537   2.560
  496   1HBA  HEC  93          1HBA      HEC  93   7.944  -2.118   0.510
  497   2HBA  HEC  93          2HBA      HEC  93   7.322  -3.349   1.617
  498   1HMB  HEC  93          1HMB      HEC  93   0.081  -0.117  -0.974
  499   2HMB  HEC  93          2HMB      HEC  93  -0.013   1.003   0.390
  500   3HMB  HEC  93          3HMB      HEC  93  -0.914   1.333  -1.109
  501    HAB  HEC  93           HAB      HEC  93   0.444   4.348  -3.255
  502   1HBB  HEC  93          1HBB      HEC  93  -1.538   4.766  -1.913
  503   2HBB  HEC  93          2HBB      HEC  93  -1.047   3.520  -0.755
  504   3HBB  HEC  93          3HBB      HEC  93  -0.029   4.950  -0.997
  505   1HMC  HEC  93          1HMC      HEC  93   3.337   6.151  -5.434
  506   2HMC  HEC  93          2HMC      HEC  93   4.347   5.860  -6.859
  507   3HMC  HEC  93          3HMC      HEC  93   3.076   4.713  -6.444
  508    HAC  HEC  93           HAC      HEC  93   7.986   4.500  -6.429
  509   1HBC  HEC  93          1HBC      HEC  93   7.584   6.720  -7.455
  510   2HBC  HEC  93          2HBC      HEC  93   6.197   6.932  -6.364
  511   3HBC  HEC  93          3HBC      HEC  93   7.827   6.695  -5.707
  512   1HMD  HEC  93          1HMD      HEC  93  11.255   0.758  -4.000
  513   2HMD  HEC  93          2HMD      HEC  93  10.195   1.699  -5.045
  514   3HMD  HEC  93          3HMD      HEC  93  11.237   2.531  -3.863
  515   1HAD  HEC  93          1HAD      HEC  93  10.942  -0.656  -1.221
  516   2HAD  HEC  93          2HAD      HEC  93  10.534   0.317   0.026
  517   1HBD  HEC  93          1HBD      HEC  93  12.497   1.271  -0.030
  518   2HBD  HEC  93          2HBD      HEC  93  11.583   2.345  -1.018
  Start of MODEL   13
    1   1H    VAL  22          1H        VAL  22 -14.016   3.990   0.627
    2   2H    VAL  22          2H        VAL  22 -12.632   4.235   1.494
    3   3H    VAL  22          3H        VAL  22 -13.689   5.522   1.231
    4    HA   VAL  22           HA       VAL  22 -13.375   5.136  -1.126
    5    HB   VAL  22           HB       VAL  22 -10.683   5.659   0.219
    6   1HG1  VAL  22          1HG1      VAL  22 -10.369   7.028  -1.859
    7   2HG1  VAL  22          2HG1      VAL  22 -10.635   5.330  -2.238
    8   3HG1  VAL  22          3HG1      VAL  22 -11.951   6.504  -2.438
    9   1HG2  VAL  22          1HG2      VAL  22 -13.069   7.509  -0.242
   10   2HG2  VAL  22          2HG2      VAL  22 -12.251   7.153   1.302
   11   3HG2  VAL  22          3HG2      VAL  22 -11.423   8.087   0.057
   12    H    ASP  23           H        ASP  23 -13.010   3.595  -2.392
   13    HA   ASP  23           HA       ASP  23 -12.687   1.046  -1.714
   14   1HB   ASP  23          1HB       ASP  23 -12.260   2.313  -4.451
   15   2HB   ASP  23          2HB       ASP  23 -12.678   0.616  -4.170
   16    H    ALA  24           H        ALA  24 -10.890   0.557  -0.598
   17    HA   ALA  24           HA       ALA  24  -8.405   1.462  -0.708
   18   1HB   ALA  24          1HB       ALA  24  -9.288  -0.122   0.990
   19   2HB   ALA  24          2HB       ALA  24  -9.138  -1.431  -0.189
   20   3HB   ALA  24          3HB       ALA  24  -7.680  -0.569   0.382
   21    H    GLU  25           H        GLU  25  -9.471  -1.450  -2.510
   22    HA   GLU  25           HA       GLU  25  -6.936  -1.876  -3.695
   23   1HB   GLU  25          1HB       GLU  25  -7.815  -3.637  -4.786
   24   2HB   GLU  25          2HB       GLU  25  -9.062  -3.452  -3.544
   25   1HG   GLU  25          1HG       GLU  25 -10.429  -2.173  -5.139
   26   2HG   GLU  25          2HG       GLU  25  -9.194  -2.484  -6.416
   27    H    ALA  26           H        ALA  26  -9.767   0.061  -4.785
   28    HA   ALA  26           HA       ALA  26  -8.779   0.679  -7.372
   29   1HB   ALA  26          1HB       ALA  26 -10.346   2.450  -7.435
   30   2HB   ALA  26          2HB       ALA  26 -11.121   1.132  -6.530
   31   3HB   ALA  26          3HB       ALA  26 -10.445   2.549  -5.677
   32    H    VAL  27           H        VAL  27  -8.360   2.320  -4.206
   33    HA   VAL  27           HA       VAL  27  -6.564   4.420  -5.068
   34    HB   VAL  27           HB       VAL  27  -6.348   2.873  -2.445
   35   1HG1  VAL  27          1HG1      VAL  27  -4.450   4.389  -3.031
   36   2HG1  VAL  27          2HG1      VAL  27  -5.608   5.733  -3.159
   37   3HG1  VAL  27          3HG1      VAL  27  -5.352   4.904  -1.609
   38   1HG2  VAL  27          1HG2      VAL  27  -8.234   5.109  -3.267
   39   2HG2  VAL  27          2HG2      VAL  27  -8.609   3.588  -2.428
   40   3HG2  VAL  27          3HG2      VAL  27  -7.750   4.862  -1.577
   41    H    VAL  28           H        VAL  28  -5.608   0.987  -3.927
   42    HA   VAL  28           HA       VAL  28  -3.019   1.889  -4.583
   43    HB   VAL  28           HB       VAL  28  -4.229  -0.787  -4.018
   44   1HG1  VAL  28          1HG1      VAL  28  -2.290  -1.941  -3.984
   45   2HG1  VAL  28          2HG1      VAL  28  -1.762  -0.696  -5.095
   46   3HG1  VAL  28          3HG1      VAL  28  -1.328  -0.613  -3.375
   47   1HG2  VAL  28          1HG2      VAL  28  -2.770  -0.031  -1.749
   48   2HG2  VAL  28          2HG2      VAL  28  -3.260   1.528  -2.380
   49   3HG2  VAL  28          3HG2      VAL  28  -4.485   0.305  -2.027
   50    H    GLN  29           H        GLN  29  -5.288   0.036  -6.346
   51    HA   GLN  29           HA       GLN  29  -3.898  -0.547  -8.746
   52   1HB   GLN  29          1HB       GLN  29  -6.837  -0.221  -8.054
   53   2HB   GLN  29          2HB       GLN  29  -6.307  -0.780  -9.610
   54   1HG   GLN  29          1HG       GLN  29  -5.615  -2.179  -6.998
   55   2HG   GLN  29          2HG       GLN  29  -6.902  -2.645  -8.115
   56   1HE2  GLN  29          1HE2      GLN  29  -4.086  -3.822  -7.196
   57   2HE2  GLN  29          2HE2      GLN  29  -3.342  -4.239  -8.733
   58    H    GLN  30           H        GLN  30  -4.599   2.563  -7.537
   59    HA   GLN  30           HA       GLN  30  -3.707   3.467 -10.217
   60   1HB   GLN  30          1HB       GLN  30  -6.265   4.060  -9.165
   61   2HB   GLN  30          2HB       GLN  30  -5.312   5.507  -8.844
   62   1HG   GLN  30          1HG       GLN  30  -4.495   5.214 -11.350
   63   2HG   GLN  30          2HG       GLN  30  -5.892   4.138 -11.502
   64   1HE2  GLN  30          1HE2      GLN  30  -7.735   5.625  -9.824
   65   2HE2  GLN  30          2HE2      GLN  30  -8.048   7.148 -10.644
   66    H    LYS  31           H        LYS  31  -3.115   3.620  -6.835
   67    HA   LYS  31           HA       LYS  31  -1.441   6.060  -7.131
   68   1HB   LYS  31          1HB       LYS  31  -3.379   5.146  -5.164
   69   2HB   LYS  31          2HB       LYS  31  -1.861   5.253  -4.400
   70   1HG   LYS  31          1HG       LYS  31  -2.622   7.342  -4.035
   71   2HG   LYS  31          2HG       LYS  31  -1.817   7.690  -5.571
   72   1HD   LYS  31          1HD       LYS  31  -3.990   7.569  -6.746
   73   2HD   LYS  31          2HD       LYS  31  -4.748   6.825  -5.341
   74   1HE   LYS  31          1HE       LYS  31  -5.546   9.009  -5.253
   75   2HE   LYS  31          2HE       LYS  31  -4.325   8.907  -3.987
   76   1HZ   LYS  31          1HZ       LYS  31  -2.779   9.979  -5.515
   77   2HZ   LYS  31          2HZ       LYS  31  -3.971  10.112  -6.652
   78   3HZ   LYS  31          3HZ       LYS  31  -4.101  10.908  -5.218
   79    H    CYS  32           H        CYS  32  -1.224   2.589  -6.595
   80    HA   CYS  32           HA       CYS  32   1.613   2.916  -5.698
   81   1HB   CYS  32          1HB       CYS  32   0.065   0.426  -5.240
   82   2HB   CYS  32          2HB       CYS  32   1.399   1.052  -4.314
   83    H    ILE  33           H        ILE  33  -0.593   0.991  -7.734
   84    HA   ILE  33           HA       ILE  33   1.226  -0.844  -8.708
   85    HB   ILE  33           HB       ILE  33  -0.124  -0.949 -10.754
   86   1HG1  ILE  33          1HG1      ILE  33  -1.936   1.211  -9.631
   87   2HG1  ILE  33          2HG1      ILE  33  -0.678   1.576 -10.810
   88   1HG2  ILE  33          1HG2      ILE  33  -0.757  -2.186  -8.716
   89   2HG2  ILE  33          2HG2      ILE  33  -1.740  -0.838  -8.178
   90   3HG2  ILE  33          3HG2      ILE  33  -2.178  -1.736  -9.647
   91   1HD1  ILE  33          1HD1      ILE  33  -2.944  -0.378 -11.295
   92   2HD1  ILE  33          2HD1      ILE  33  -2.735   1.239 -11.994
   93   3HD1  ILE  33          3HD1      ILE  33  -1.595  -0.050 -12.403
   94    H    SER  34           H        SER  34   1.007   2.566  -9.560
   95    HA   SER  34           HA       SER  34   2.432   2.904 -11.808
   96   1HB   SER  34          1HB       SER  34   2.947   4.434  -9.232
   97   2HB   SER  34          2HB       SER  34   2.941   5.065 -10.890
   98    HG   SER  34           HG       SER  34   0.683   4.625 -10.941
   99    H    CYS  35           H        CYS  35   3.786   1.934  -8.630
  100    HA   CYS  35           HA       CYS  35   6.440   1.534  -9.961
  101   1HB   CYS  35          1HB       CYS  35   6.218   1.982  -6.982
  102   2HB   CYS  35          2HB       CYS  35   7.602   2.107  -8.046
  103    H    HIS  36           H        HIS  36   4.101   0.286  -7.513
  104    HA   HIS  36           HA       HIS  36   5.654  -2.125  -7.109
  105   1HB   HIS  36          1HB       HIS  36   2.885  -1.260  -6.270
  106   2HB   HIS  36          2HB       HIS  36   3.587  -2.830  -5.852
  107    HD1  HIS  36           1HD      HIS  36   5.809  -2.795  -4.236
  108    HD2  HIS  36           2HD      HIS  36   3.722   0.841  -4.795
  109    HE1  HIS  36           1HE      HIS  36   6.526  -1.224  -2.367
  110    H    GLY  37           H        GLY  37   3.531  -1.250  -9.683
  111   1HA   GLY  37          1HA       GLY  37   3.237  -2.492 -11.603
  112   2HA   GLY  37          2HA       GLY  37   3.716  -3.989 -10.782
  113    H    GLY  38           H        GLY  38   1.361  -3.605 -12.444
  114   1HA   GLY  38          1HA       GLY  38  -1.065  -2.996 -11.391
  115   2HA   GLY  38          2HA       GLY  38  -0.806  -4.359 -12.477
  116    H    ASP  39           H        ASP  39   0.392  -6.278 -11.112
  117    HA   ASP  39           HA       ASP  39  -1.669  -7.180  -9.284
  118   1HB   ASP  39          1HB       ASP  39   0.934  -8.493 -10.132
  119   2HB   ASP  39          2HB       ASP  39  -0.446  -9.286  -9.356
  120    H    LEU  40           H        LEU  40   0.911  -5.163  -8.687
  121    HA   LEU  40           HA       LEU  40   2.079  -4.504  -6.894
  122   1HB   LEU  40          1HB       LEU  40   0.041  -6.078  -5.285
  123   2HB   LEU  40          2HB       LEU  40   1.072  -4.789  -4.696
  124    HG   LEU  40           HG       LEU  40  -0.675  -4.166  -7.104
  125   1HD1  LEU  40          1HD1      LEU  40  -2.238  -5.309  -5.683
  126   2HD1  LEU  40          2HD1      LEU  40  -1.753  -4.322  -4.286
  127   3HD1  LEU  40          3HD1      LEU  40  -2.536  -3.565  -5.700
  128   1HD2  LEU  40          1HD2      LEU  40   1.068  -2.614  -6.105
  129   2HD2  LEU  40          2HD2      LEU  40  -0.559  -1.981  -6.307
  130   3HD2  LEU  40          3HD2      LEU  40   0.003  -2.492  -4.695
  131    H    THR  41           H        THR  41   2.674  -7.056  -8.278
  132    HA   THR  41           HA       THR  41   3.997  -8.835  -6.459
  133    HB   THR  41           HB       THR  41   4.738  -9.646  -8.857
  134    HG1  THR  41           1HG      THR  41   3.255  -8.736 -10.441
  135   1HG2  THR  41          1HG2      THR  41   2.456 -10.589  -9.278
  136   2HG2  THR  41          2HG2      THR  41   2.950 -10.752  -7.581
  137   3HG2  THR  41          3HG2      THR  41   1.791  -9.497  -8.046
  138    H    GLY  42           H        GLY  42   4.818  -5.724  -7.736
  139   1HA   GLY  42          1HA       GLY  42   6.622  -4.624  -6.859
  140   2HA   GLY  42          2HA       GLY  42   7.522  -6.129  -6.626
  141    H    ALA  43           H        ALA  43   6.484  -3.749  -9.036
  142    HA   ALA  43           HA       ALA  43   8.275  -4.861 -11.102
  143   1HB   ALA  43          1HB       ALA  43   7.432  -2.961 -12.462
  144   2HB   ALA  43          2HB       ALA  43   6.155  -4.018 -11.828
  145   3HB   ALA  43          3HB       ALA  43   6.437  -2.436 -11.087
  146    H    SER  44           H        SER  44   7.984  -1.487  -9.968
  147    HA   SER  44           HA       SER  44  10.933  -1.130 -10.150
  148   1HB   SER  44          1HB       SER  44   9.407   0.395 -11.452
  149   2HB   SER  44          2HB       SER  44   8.738   0.957  -9.905
  150    HG   SER  44           HG       SER  44  10.992   1.431  -9.342
  151    H    ALA  45           H        ALA  45   8.881  -2.150  -7.840
  152    HA   ALA  45           HA       ALA  45  10.259  -0.949  -5.532
  153   1HB   ALA  45          1HB       ALA  45   8.273   0.505  -5.996
  154   2HB   ALA  45          2HB       ALA  45   7.241  -0.927  -6.007
  155   3HB   ALA  45          3HB       ALA  45   8.055  -0.434  -4.513
  156    HA   PRO  46           HA       PRO  46   9.924  -5.232  -4.508
  157   1HB   PRO  46          1HB       PRO  46   9.317  -5.342  -1.804
  158   2HB   PRO  46          2HB       PRO  46  10.916  -4.882  -2.458
  159   1HG   PRO  46          1HG       PRO  46   8.656  -3.047  -1.640
  160   2HG   PRO  46          2HG       PRO  46  10.373  -2.957  -1.137
  161   1HD   PRO  46          1HD       PRO  46   9.435  -1.423  -3.149
  162   2HD   PRO  46          2HD       PRO  46  11.024  -2.210  -3.337
  163    H    ALA  47           H        ALA  47   8.447  -6.968  -3.824
  164    HA   ALA  47           HA       ALA  47   5.775  -6.596  -4.787
  165   1HB   ALA  47          1HB       ALA  47   7.097  -8.765  -4.832
  166   2HB   ALA  47          2HB       ALA  47   6.889  -8.869  -3.078
  167   3HB   ALA  47          3HB       ALA  47   5.470  -8.916  -4.141
  168    H    ILE  48           H        ILE  48   4.053  -5.788  -3.682
  169    HA   ILE  48           HA       ILE  48   4.093  -6.066  -0.721
  170    HB   ILE  48           HB       ILE  48   3.119  -3.929  -0.308
  171   1HG1  ILE  48          1HG1      ILE  48   3.319  -2.138  -2.112
  172   2HG1  ILE  48          2HG1      ILE  48   3.306  -3.447  -3.284
  173   1HG2  ILE  48          1HG2      ILE  48   5.093  -2.584  -0.699
  174   2HG2  ILE  48          2HG2      ILE  48   5.574  -4.235  -0.288
  175   3HG2  ILE  48          3HG2      ILE  48   5.634  -3.682  -1.974
  176   1HD1  ILE  48          1HD1      ILE  48   1.081  -2.300  -2.774
  177   2HD1  ILE  48          2HD1      ILE  48   1.001  -4.045  -2.455
  178   3HD1  ILE  48          3HD1      ILE  48   1.189  -2.888  -1.117
  179    H    ASP  49           H        ASP  49   2.584  -7.107  -3.457
  180    HA   ASP  49           HA       ASP  49  -0.082  -7.420  -2.824
  181   1HB   ASP  49          1HB       ASP  49   0.081  -9.566  -3.897
  182   2HB   ASP  49          2HB       ASP  49   1.131  -8.441  -4.754
  183    H    LYS  50           H        LYS  50   2.665  -9.070  -1.333
  184    HA   LYS  50           HA       LYS  50   0.943 -10.325   0.762
  185   1HB   LYS  50          1HB       LYS  50   3.508 -11.015  -0.582
  186   2HB   LYS  50          2HB       LYS  50   3.510 -11.288   1.156
  187   1HG   LYS  50          1HG       LYS  50   2.792 -13.275   0.040
  188   2HG   LYS  50          2HG       LYS  50   1.463 -12.636   1.024
  189   1HD   LYS  50          1HD       LYS  50   0.398 -11.630  -0.972
  190   2HD   LYS  50          2HD       LYS  50   1.757 -12.139  -1.973
  191   1HE   LYS  50          1HE       LYS  50  -0.101 -14.030  -0.445
  192   2HE   LYS  50          2HE       LYS  50  -0.324 -13.553  -2.136
  193   1HZ   LYS  50          1HZ       LYS  50   2.019 -14.970  -1.076
  194   2HZ   LYS  50          2HZ       LYS  50   0.828 -15.619  -2.010
  195   3HZ   LYS  50          3HZ       LYS  50   1.829 -14.463  -2.635
  196    H    ALA  51           H        ALA  51   2.283  -7.389   0.580
  197    HA   ALA  51           HA       ALA  51   3.915  -7.146   2.862
  198   1HB   ALA  51          1HB       ALA  51   3.056  -4.761   2.864
  199   2HB   ALA  51          2HB       ALA  51   3.731  -5.368   1.338
  200   3HB   ALA  51          3HB       ALA  51   1.974  -5.233   1.563
  201    H    GLY  52           H        GLY  52   0.363  -7.525   2.650
  202   1HA   GLY  52          1HA       GLY  52  -0.232  -6.880   5.359
  203   2HA   GLY  52          2HA       GLY  52  -1.161  -7.952   4.280
  204    H    ALA  53           H        ALA  53   1.056  -9.856   3.892
  205    HA   ALA  53           HA       ALA  53   0.718 -11.454   6.348
  206   1HB   ALA  53          1HB       ALA  53   2.299 -13.009   5.095
  207   2HB   ALA  53          2HB       ALA  53   0.711 -12.753   4.358
  208   3HB   ALA  53          3HB       ALA  53   2.139 -11.930   3.700
  209    H    ASN  54           H        ASN  54   3.305  -9.683   4.601
  210    HA   ASN  54           HA       ASN  54   5.342 -10.460   6.483
  211   1HB   ASN  54          1HB       ASN  54   5.267  -8.204   4.446
  212   2HB   ASN  54          2HB       ASN  54   6.686  -8.653   5.394
  213   1HD2  ASN  54          1HD2      ASN  54   8.011 -10.311   4.683
  214   2HD2  ASN  54          2HD2      ASN  54   7.601 -11.329   3.312
  215    H    TYR  55           H        TYR  55   3.191  -7.630   6.338
  216    HA   TYR  55           HA       TYR  55   4.293  -6.582   8.885
  217   1HB   TYR  55          1HB       TYR  55   3.403  -4.688   6.747
  218   2HB   TYR  55          2HB       TYR  55   4.551  -4.429   8.045
  219    HD1  TYR  55           1HD      TYR  55   4.255  -4.456   4.652
  220    HD2  TYR  55           2HD      TYR  55   6.805  -6.059   7.716
  221    HE1  TYR  55           1HE      TYR  55   5.987  -4.952   2.936
  222    HE2  TYR  55           2HE      TYR  55   8.583  -6.449   6.026
  223    HH   TYR  55           HH       TYR  55   9.219  -5.987   3.699
  224    H    SER  56           H        SER  56   2.690  -5.179   9.965
  225    HA   SER  56           HA       SER  56  -0.097  -6.106   9.454
  226   1HB   SER  56          1HB       SER  56   1.278  -4.766  11.805
  227   2HB   SER  56          2HB       SER  56  -0.480  -4.990  11.721
  228    HG   SER  56           HG       SER  56   1.444  -7.050  11.400
  229    H    GLU  57           H        GLU  57  -1.874  -4.534   9.787
  230    HA   GLU  57           HA       GLU  57  -1.864  -2.664   7.736
  231   1HB   GLU  57          1HB       GLU  57  -4.020  -1.921   8.572
  232   2HB   GLU  57          2HB       GLU  57  -3.907  -3.654   8.592
  233   1HG   GLU  57          1HG       GLU  57  -4.744  -3.555  10.637
  234   2HG   GLU  57          2HG       GLU  57  -3.148  -3.075  11.204
  235    H    GLU  58           H        GLU  58  -1.428  -2.022  11.234
  236    HA   GLU  58           HA       GLU  58  -1.027   0.691  11.209
  237   1HB   GLU  58          1HB       GLU  58   0.489   0.282  13.187
  238   2HB   GLU  58          2HB       GLU  58  -1.120  -0.437  13.274
  239   1HG   GLU  58          1HG       GLU  58  -0.193  -2.667  12.718
  240   2HG   GLU  58          2HG       GLU  58   1.426  -1.952  12.587
  241    H    GLU  59           H        GLU  59   1.463  -1.788  10.436
  242    HA   GLU  59           HA       GLU  59   3.627   0.063  10.158
  243   1HB   GLU  59          1HB       GLU  59   3.233  -2.694   8.899
  244   2HB   GLU  59          2HB       GLU  59   4.763  -1.836   9.069
  245   1HG   GLU  59          1HG       GLU  59   4.513  -1.904  11.554
  246   2HG   GLU  59          2HG       GLU  59   3.027  -2.849  11.358
  247    H    ILE  60           H        ILE  60   1.409  -1.494   7.841
  248    HA   ILE  60           HA       ILE  60   2.604  -0.376   5.493
  249    HB   ILE  60           HB       ILE  60  -0.199  -1.449   5.983
  250   1HG1  ILE  60          1HG1      ILE  60   2.259  -2.755   4.728
  251   2HG1  ILE  60          2HG1      ILE  60   1.745  -2.995   6.399
  252   1HG2  ILE  60          1HG2      ILE  60  -0.141  -1.787   3.434
  253   2HG2  ILE  60          2HG2      ILE  60  -0.355  -0.145   4.022
  254   3HG2  ILE  60          3HG2      ILE  60   1.236  -0.668   3.414
  255   1HD1  ILE  60          1HD1      ILE  60   0.342  -3.939   3.925
  256   2HD1  ILE  60          2HD1      ILE  60   0.923  -4.846   5.325
  257   3HD1  ILE  60          3HD1      ILE  60  -0.500  -3.806   5.494
  258    H    LEU  61           H        LEU  61  -0.183   0.653   7.457
  259    HA   LEU  61           HA       LEU  61  -0.917   3.010   6.168
  260   1HB   LEU  61          1HB       LEU  61  -2.033   1.894   8.184
  261   2HB   LEU  61          2HB       LEU  61  -0.736   2.517   9.181
  262    HG   LEU  61           HG       LEU  61  -1.392   4.841   8.530
  263   1HD1  LEU  61          1HD1      LEU  61  -2.576   4.374   6.420
  264   2HD1  LEU  61          2HD1      LEU  61  -3.754   3.381   7.292
  265   3HD1  LEU  61          3HD1      LEU  61  -3.692   5.136   7.560
  266   1HD2  LEU  61          1HD2      LEU  61  -2.143   3.871  10.644
  267   2HD2  LEU  61          2HD2      LEU  61  -3.444   4.856   9.949
  268   3HD2  LEU  61          3HD2      LEU  61  -3.515   3.085   9.831
  269    H    ASP  62           H        ASP  62   1.512   2.516   8.771
  270    HA   ASP  62           HA       ASP  62   2.413   5.210   8.730
  271   1HB   ASP  62          1HB       ASP  62   2.537   3.480  10.620
  272   2HB   ASP  62          2HB       ASP  62   3.972   2.846   9.815
  273    H    ILE  63           H        ILE  63   2.934   2.911   6.349
  274    HA   ILE  63           HA       ILE  63   5.512   4.202   5.504
  275    HB   ILE  63           HB       ILE  63   4.171   1.559   5.112
  276   1HG1  ILE  63          1HG1      ILE  63   7.127   2.059   4.915
  277   2HG1  ILE  63          2HG1      ILE  63   6.346   2.269   6.489
  278   1HG2  ILE  63          1HG2      ILE  63   5.617   1.165   3.059
  279   2HG2  ILE  63          2HG2      ILE  63   4.183   2.160   2.793
  280   3HG2  ILE  63          3HG2      ILE  63   5.797   2.913   2.914
  281   1HD1  ILE  63          1HD1      ILE  63   7.249  -0.039   6.113
  282   2HD1  ILE  63          2HD1      ILE  63   5.528   0.022   6.523
  283   3HD1  ILE  63          3HD1      ILE  63   6.026  -0.274   4.846
  284    H    ILE  64           H        ILE  64   2.099   3.631   4.508
  285    HA   ILE  64           HA       ILE  64   2.378   5.073   2.019
  286    HB   ILE  64           HB       ILE  64  -0.023   4.585   3.807
  287   1HG1  ILE  64          1HG1      ILE  64   0.485   3.162   1.194
  288   2HG1  ILE  64          2HG1      ILE  64   1.401   2.623   2.600
  289   1HG2  ILE  64          1HG2      ILE  64  -1.344   4.973   1.693
  290   2HG2  ILE  64          2HG2      ILE  64  -0.572   6.429   2.326
  291   3HG2  ILE  64          3HG2      ILE  64   0.140   5.591   0.935
  292   1HD1  ILE  64          1HD1      ILE  64  -0.635   1.357   2.455
  293   2HD1  ILE  64          2HD1      ILE  64  -0.671   2.353   3.912
  294   3HD1  ILE  64          3HD1      ILE  64  -1.621   2.839   2.497
  295    H    LEU  65           H        LEU  65   1.210   6.038   5.275
  296    HA   LEU  65           HA       LEU  65   0.727   8.771   4.572
  297   1HB   LEU  65          1HB       LEU  65   1.342   7.437   7.229
  298   2HB   LEU  65          2HB       LEU  65   0.817   9.116   7.056
  299    HG   LEU  65           HG       LEU  65  -0.913   6.729   6.175
  300   1HD1  LEU  65          1HD1      LEU  65  -2.155   7.150   8.233
  301   2HD1  LEU  65          2HD1      LEU  65  -0.456   6.872   8.679
  302   3HD1  LEU  65          3HD1      LEU  65  -1.106   8.518   8.651
  303   1HD2  LEU  65          1HD2      LEU  65  -2.688   8.426   6.207
  304   2HD2  LEU  65          2HD2      LEU  65  -1.479   9.696   6.484
  305   3HD2  LEU  65          3HD2      LEU  65  -1.447   8.742   4.978
  306    H    ASN  66           H        ASN  66   3.622   7.089   5.737
  307    HA   ASN  66           HA       ASN  66   5.074   9.592   6.277
  308   1HB   ASN  66          1HB       ASN  66   5.768   6.660   6.506
  309   2HB   ASN  66          2HB       ASN  66   6.939   7.897   6.802
  310   1HD2  ASN  66          1HD2      ASN  66   3.669   6.960   7.903
  311   2HD2  ASN  66          2HD2      ASN  66   4.003   7.206   9.580
  312    H    GLY  67           H        GLY  67   5.405   6.796   4.062
  313   1HA   GLY  67          1HA       GLY  67   6.394   6.879   1.883
  314   2HA   GLY  67          2HA       GLY  67   7.399   8.244   2.382
  315    H    GLN  68           H        GLN  68   7.287   4.820   2.108
  316    HA   GLN  68           HA       GLN  68   9.429   4.116   3.902
  317   1HB   GLN  68          1HB       GLN  68   8.168   2.254   2.687
  318   2HB   GLN  68          2HB       GLN  68   8.595   3.024   1.174
  319   1HG   GLN  68          1HG       GLN  68   9.776   1.015   1.718
  320   2HG   GLN  68          2HG       GLN  68  10.887   2.354   1.380
  321   1HE2  GLN  68          1HE2      GLN  68  10.731  -0.394   3.028
  322   2HE2  GLN  68          2HE2      GLN  68  11.583   0.080   4.490
  323    H    GLY  69           H        GLY  69  11.742   4.140   3.365
  324   1HA   GLY  69          1HA       GLY  69  13.089   6.226   2.838
  325   2HA   GLY  69          2HA       GLY  69  13.650   4.745   2.065
  326    H    GLY  70           H        GLY  70  12.688   4.376  -0.249
  327   1HA   GLY  70          1HA       GLY  70  13.302   6.786  -1.809
  328   2HA   GLY  70          2HA       GLY  70  13.050   5.140  -2.397
  329    H    MET  71           H        MET  71  10.423   5.475  -0.581
  330    HA   MET  71           HA       MET  71   8.691   5.928  -2.903
  331   1HB   MET  71          1HB       MET  71   8.499   3.927  -1.527
  332   2HB   MET  71          2HB       MET  71   8.313   4.899  -0.080
  333   1HG   MET  71          1HG       MET  71   6.215   5.720  -0.676
  334   2HG   MET  71          2HG       MET  71   6.232   4.942  -2.256
  335   1HE   MET  71          1HE       MET  71   3.781   4.406  -0.664
  336   2HE   MET  71          2HE       MET  71   3.800   3.228   0.663
  337   3HE   MET  71          3HE       MET  71   4.544   4.826   0.883
  338    HA   PRO  72           HA       PRO  72   7.882  10.029  -1.089
  339   1HB   PRO  72          1HB       PRO  72   5.719  10.781  -2.650
  340   2HB   PRO  72          2HB       PRO  72   7.429  10.910  -3.147
  341   1HG   PRO  72          1HG       PRO  72   5.424   8.821  -3.917
  342   2HG   PRO  72          2HG       PRO  72   6.706   9.548  -4.913
  343   1HD   PRO  72          1HD       PRO  72   6.881   7.065  -3.672
  344   2HD   PRO  72          2HD       PRO  72   8.316   8.062  -4.085
  345    H    GLY  73           H        GLY  73   6.403  10.733   0.549
  346   1HA   GLY  73          1HA       GLY  73   4.532   8.684   1.535
  347   2HA   GLY  73          2HA       GLY  73   5.198  10.093   2.385
  348    H    GLY  74           H        GLY  74   2.580   9.511   2.417
  349   1HA   GLY  74          1HA       GLY  74   0.600  10.726   2.444
  350   2HA   GLY  74          2HA       GLY  74   1.467  12.102   1.737
  351    H    ILE  75           H        ILE  75   1.707   9.124  -0.002
  352    HA   ILE  75           HA       ILE  75   0.473   9.972  -2.397
  353    HB   ILE  75           HB       ILE  75   1.080   7.251  -1.184
  354   1HG1  ILE  75          1HG1      ILE  75   2.400   8.699  -3.526
  355   2HG1  ILE  75          2HG1      ILE  75   2.951   8.880  -1.857
  356   1HG2  ILE  75          1HG2      ILE  75   0.063   7.845  -3.993
  357   2HG2  ILE  75          2HG2      ILE  75   0.737   6.294  -3.475
  358   3HG2  ILE  75          3HG2      ILE  75  -0.744   6.860  -2.744
  359   1HD1  ILE  75          1HD1      ILE  75   4.303   7.174  -2.947
  360   2HD1  ILE  75          2HD1      ILE  75   3.297   6.421  -1.701
  361   3HD1  ILE  75          3HD1      ILE  75   2.874   6.281  -3.419
  362    H    ALA  76           H        ALA  76  -0.833   8.457   0.523
  363    HA   ALA  76           HA       ALA  76  -3.580   9.079  -0.281
  364   1HB   ALA  76          1HB       ALA  76  -4.025   6.664   0.870
  365   2HB   ALA  76          2HB       ALA  76  -3.759   6.828  -0.877
  366   3HB   ALA  76          3HB       ALA  76  -2.441   6.316   0.180
  367    H    LYS  77           H        LYS  77  -4.770   9.627   1.661
  368    HA   LYS  77           HA       LYS  77  -3.388   9.446   4.238
  369   1HB   LYS  77          1HB       LYS  77  -4.037  11.996   2.726
  370   2HB   LYS  77          2HB       LYS  77  -4.106  11.958   4.493
  371   1HG   LYS  77          1HG       LYS  77  -1.793  11.156   4.612
  372   2HG   LYS  77          2HG       LYS  77  -1.657  11.190   2.851
  373   1HD   LYS  77          1HD       LYS  77  -1.426  13.446   2.748
  374   2HD   LYS  77          2HD       LYS  77  -2.582  13.744   4.061
  375   1HE   LYS  77          1HE       LYS  77  -0.926  13.073   5.753
  376   2HE   LYS  77          2HE       LYS  77   0.265  12.698   4.495
  377   1HZ   LYS  77          1HZ       LYS  77  -0.888  15.373   4.959
  378   2HZ   LYS  77          2HZ       LYS  77   0.561  14.865   5.541
  379   3HZ   LYS  77          3HZ       LYS  77   0.334  14.995   3.920
  380    H    GLY  78           H        GLY  78  -4.746   9.776   6.053
  381   1HA   GLY  78          1HA       GLY  78  -6.671   9.422   7.238
  382   2HA   GLY  78          2HA       GLY  78  -7.499  10.355   5.974
  383    H    ALA  79           H        ALA  79  -9.300   9.129   5.630
  384    HA   ALA  79           HA       ALA  79  -9.746   6.443   5.756
  385   1HB   ALA  79          1HB       ALA  79 -11.501   8.119   5.348
  386   2HB   ALA  79          2HB       ALA  79 -10.910   8.350   3.683
  387   3HB   ALA  79          3HB       ALA  79 -11.595   6.788   4.179
  388    H    GLU  80           H        GLU  80  -8.248   8.182   3.028
  389    HA   GLU  80           HA       GLU  80  -8.170   6.144   1.106
  390   1HB   GLU  80          1HB       GLU  80  -7.270   8.754   1.300
  391   2HB   GLU  80          2HB       GLU  80  -5.764   7.875   1.449
  392   1HG   GLU  80          1HG       GLU  80  -5.889   8.307  -0.815
  393   2HG   GLU  80          2HG       GLU  80  -6.554   6.669  -0.754
  394    H    ALA  81           H        ALA  81  -5.666   6.968   3.625
  395    HA   ALA  81           HA       ALA  81  -4.018   4.728   2.856
  396   1HB   ALA  81          1HB       ALA  81  -2.534   5.539   4.552
  397   2HB   ALA  81          2HB       ALA  81  -3.185   6.936   3.699
  398   3HB   ALA  81          3HB       ALA  81  -3.825   6.516   5.303
  399    H    GLU  82           H        GLU  82  -6.401   5.420   5.431
  400    HA   GLU  82           HA       GLU  82  -5.927   3.099   7.057
  401   1HB   GLU  82          1HB       GLU  82  -8.389   4.797   6.538
  402   2HB   GLU  82          2HB       GLU  82  -8.345   3.494   7.725
  403   1HG   GLU  82          1HG       GLU  82  -6.620   4.580   9.008
  404   2HG   GLU  82          2HG       GLU  82  -6.364   5.811   7.761
  405    H    ALA  83           H        ALA  83  -8.210   3.687   4.355
  406    HA   ALA  83           HA       ALA  83  -9.280   1.081   4.232
  407   1HB   ALA  83          1HB       ALA  83  -8.875   3.046   1.935
  408   2HB   ALA  83          2HB       ALA  83 -10.010   1.681   1.994
  409   3HB   ALA  83          3HB       ALA  83 -10.240   3.048   3.078
  410    H    VAL  84           H        VAL  84  -6.455   2.523   2.434
  411    HA   VAL  84           HA       VAL  84  -5.628   0.145   1.171
  412    HB   VAL  84           HB       VAL  84  -3.809   2.280   2.350
  413   1HG1  VAL  84          1HG1      VAL  84  -2.545   0.192   2.100
  414   2HG1  VAL  84          2HG1      VAL  84  -3.290  -0.110   0.522
  415   3HG1  VAL  84          3HG1      VAL  84  -2.162   1.234   0.734
  416   1HG2  VAL  84          1HG2      VAL  84  -3.453   2.809  -0.099
  417   2HG2  VAL  84          2HG2      VAL  84  -4.879   1.808  -0.451
  418   3HG2  VAL  84          3HG2      VAL  84  -5.044   3.273   0.523
  419    H    ALA  85           H        ALA  85  -4.516   1.294   4.416
  420    HA   ALA  85           HA       ALA  85  -2.824  -0.794   5.047
  421   1HB   ALA  85          1HB       ALA  85  -3.197  -0.141   7.377
  422   2HB   ALA  85          2HB       ALA  85  -3.107   1.279   6.317
  423   3HB   ALA  85          3HB       ALA  85  -4.676   0.725   6.941
  424    H    ALA  86           H        ALA  86  -6.324  -0.618   5.907
  425    HA   ALA  86           HA       ALA  86  -6.491  -3.206   7.073
  426   1HB   ALA  86          1HB       ALA  86  -8.232  -1.505   7.344
  427   2HB   ALA  86          2HB       ALA  86  -8.627  -1.588   5.613
  428   3HB   ALA  86          3HB       ALA  86  -8.923  -2.992   6.664
  429    H    TRP  87           H        TRP  87  -7.264  -2.162   3.712
  430    HA   TRP  87           HA       TRP  87  -8.027  -4.706   2.710
  431   1HB   TRP  87          1HB       TRP  87  -8.579  -2.670   1.612
  432   2HB   TRP  87          2HB       TRP  87  -6.861  -2.218   1.503
  433    HD1  TRP  87           HD       TRP  87  -9.364  -4.520  -0.279
  434    HE1  TRP  87           1HE      TRP  87  -8.300  -5.377  -2.434
  435    HE3  TRP  87           3HE      TRP  87  -4.863  -2.071   0.002
  436    HZ2  TRP  87           2HZ      TRP  87  -4.793  -5.033  -2.687
  437    HZ3  TRP  87           3HZ      TRP  87  -3.520  -1.961  -2.089
  438    HH2  TRP  87           HH       TRP  87  -4.219  -3.164  -4.115
  439    H    LEU  88           H        LEU  88  -4.840  -3.141   2.904
  440    HA   LEU  88           HA       LEU  88  -3.499  -5.105   1.313
  441   1HB   LEU  88          1HB       LEU  88  -2.862  -2.550   2.168
  442   2HB   LEU  88          2HB       LEU  88  -1.817  -3.548   3.153
  443    HG   LEU  88           HG       LEU  88  -0.886  -2.760   1.013
  444   1HD1  LEU  88          1HD1      LEU  88   0.212  -4.637   0.392
  445   2HD1  LEU  88          2HD1      LEU  88  -0.266  -5.091   2.044
  446   3HD1  LEU  88          3HD1      LEU  88  -1.155  -5.750   0.647
  447   1HD2  LEU  88          1HD2      LEU  88  -2.591  -2.480  -0.284
  448   2HD2  LEU  88          2HD2      LEU  88  -1.404  -3.483  -1.125
  449   3HD2  LEU  88          3HD2      LEU  88  -2.902  -4.236  -0.543
  450    H    ALA  89           H        ALA  89  -3.824  -4.492   4.814
  451    HA   ALA  89           HA       ALA  89  -2.384  -6.767   5.752
  452   1HB   ALA  89          1HB       ALA  89  -2.943  -4.972   7.181
  453   2HB   ALA  89          2HB       ALA  89  -4.696  -5.268   6.988
  454   3HB   ALA  89          3HB       ALA  89  -3.669  -6.463   7.816
  455    H    GLU  90           H        GLU  90  -5.715  -6.418   4.562
  456    HA   GLU  90           HA       GLU  90  -6.495  -9.136   5.162
  457   1HB   GLU  90          1HB       GLU  90  -8.075  -7.355   4.939
  458   2HB   GLU  90          2HB       GLU  90  -7.580  -6.989   3.299
  459   1HG   GLU  90          1HG       GLU  90  -8.574  -9.779   3.759
  460   2HG   GLU  90          2HG       GLU  90  -9.743  -8.463   3.883
  461    H    LYS  91           H        LYS  91  -4.458  -7.739   2.709
  462    HA   LYS  91           HA       LYS  91  -5.420  -9.120   0.682
  463   1HB   LYS  91          1HB       LYS  91  -4.132  -6.982   0.668
  464   2HB   LYS  91          2HB       LYS  91  -2.637  -7.915   0.609
  465   1HG   LYS  91          1HG       LYS  91  -3.375  -6.996  -1.557
  466   2HG   LYS  91          2HG       LYS  91  -3.267  -8.746  -1.641
  467   1HD   LYS  91          1HD       LYS  91  -5.868  -7.316  -0.950
  468   2HD   LYS  91          2HD       LYS  91  -5.379  -7.517  -2.636
  469   1HE   LYS  91          1HE       LYS  91  -5.829  -9.749  -2.704
  470   2HE   LYS  91          2HE       LYS  91  -5.251 -10.068  -1.088
  471   1HZ   LYS  91          1HZ       LYS  91  -7.877  -8.837  -1.714
  472   2HZ   LYS  91          2HZ       LYS  91  -7.623 -10.371  -1.174
  473   3HZ   LYS  91          3HZ       LYS  91  -7.313  -9.098  -0.212
  474    H    LYS  92           H        LYS  92  -4.354 -11.089   2.658
  475    HA   LYS  92           HA       LYS  92  -1.556 -11.379   1.781
  476   1HB   LYS  92          1HB       LYS  92  -1.158 -11.462   4.047
  477   2HB   LYS  92          2HB       LYS  92  -2.315 -10.158   3.611
  478   1HG   LYS  92          1HG       LYS  92  -4.134 -11.255   4.664
  479   2HG   LYS  92          2HG       LYS  92  -3.301 -12.815   4.756
  480   1HD   LYS  92          1HD       LYS  92  -1.828 -12.072   6.470
  481   2HD   LYS  92          2HD       LYS  92  -2.257 -10.376   6.206
  482   1HE   LYS  92          1HE       LYS  92  -4.598 -10.847   6.965
  483   2HE   LYS  92          2HE       LYS  92  -4.137 -12.516   7.318
  484   1HZ   LYS  92          1HZ       LYS  92  -2.583 -11.673   8.935
  485   2HZ   LYS  92          2HZ       LYS  92  -2.922 -10.114   8.525
  486   3HZ   LYS  92          3HZ       LYS  92  -4.075 -11.044   9.246
  487    HHA  HEC  93           HHA      HEC  93   8.699  -0.274   0.287
  488    HHB  HEC  93           HHB      HEC  93   2.254  -0.118   0.659
  489    HHC  HEC  93           HHC      HEC  93   2.317   4.201  -4.114
  490    HHD  HEC  93           HHD      HEC  93   8.555   3.150  -5.038
  491   1HMA  HEC  93          1HMA      HEC  93   3.834  -0.881   3.254
  492   2HMA  HEC  93          2HMA      HEC  93   3.152  -1.915   1.974
  493   3HMA  HEC  93          3HMA      HEC  93   4.636  -2.398   2.800
  494   1HAA  HEC  93          1HAA      HEC  93   6.869  -1.895   3.074
  495   2HAA  HEC  93          2HAA      HEC  93   7.977  -0.665   2.561
  496   1HBA  HEC  93          1HBA      HEC  93   7.964  -2.286   0.386
  497   2HBA  HEC  93          2HBA      HEC  93   7.589  -3.489   1.614
  498   1HMB  HEC  93          1HMB      HEC  93   0.225  -0.278  -0.945
  499   2HMB  HEC  93          2HMB      HEC  93   0.098   0.856   0.408
  500   3HMB  HEC  93          3HMB      HEC  93  -0.825   1.123  -1.082
  501    HAB  HEC  93           HAB      HEC  93   0.377   4.033  -3.428
  502   1HBB  HEC  93          1HBB      HEC  93  -1.104   3.254  -0.893
  503   2HBB  HEC  93          2HBB      HEC  93  -0.316   4.789  -1.264
  504   3HBB  HEC  93          3HBB      HEC  93  -1.733   4.272  -2.196
  505   1HMC  HEC  93          1HMC      HEC  93   4.281   5.705  -6.993
  506   2HMC  HEC  93          2HMC      HEC  93   3.105   4.434  -6.687
  507   3HMC  HEC  93          3HMC      HEC  93   3.164   5.866  -5.642
  508    HAC  HEC  93           HAC      HEC  93   7.908   4.289  -6.642
  509   1HBC  HEC  93          1HBC      HEC  93   7.594   6.550  -5.838
  510   2HBC  HEC  93          2HBC      HEC  93   7.754   6.459  -7.594
  511   3HBC  HEC  93          3HBC      HEC  93   6.166   6.753  -6.867
  512   1HMD  HEC  93          1HMD      HEC  93  11.300   2.489  -4.011
  513   2HMD  HEC  93          2HMD      HEC  93  11.208   0.715  -4.164
  514   3HMD  HEC  93          3HMD      HEC  93  10.172   1.715  -5.158
  515   1HAD  HEC  93          1HAD      HEC  93  10.938  -0.663  -1.280
  516   2HAD  HEC  93          2HAD      HEC  93  10.629   0.469  -0.068
  517   1HBD  HEC  93          1HBD      HEC  93  12.755   0.931  -0.297
  518   2HBD  HEC  93          2HBD      HEC  93  11.955   2.254  -1.118
  Start of MODEL   14
    1   1H    VAL  22          1H        VAL  22 -14.853   5.221  -0.841
    2   2H    VAL  22          2H        VAL  22 -14.379   5.227   0.740
    3   3H    VAL  22          3H        VAL  22 -14.640   6.678  -0.057
    4    HA   VAL  22           HA       VAL  22 -12.900   6.050  -1.607
    5    HB   VAL  22           HB       VAL  22 -12.043   6.180   1.318
    6   1HG1  VAL  22          1HG1      VAL  22 -10.466   6.255  -1.294
    7   2HG1  VAL  22          2HG1      VAL  22  -9.877   6.990   0.203
    8   3HG1  VAL  22          3HG1      VAL  22 -10.182   5.241   0.137
    9   1HG2  VAL  22          1HG2      VAL  22 -11.544   8.536   0.738
   10   2HG2  VAL  22          2HG2      VAL  22 -12.149   8.277  -0.908
   11   3HG2  VAL  22          3HG2      VAL  22 -13.259   8.202   0.480
   12    H    ASP  23           H        ASP  23 -12.496   4.298  -2.609
   13    HA   ASP  23           HA       ASP  23 -12.962   1.691  -1.757
   14   1HB   ASP  23          1HB       ASP  23 -11.245   2.751  -4.025
   15   2HB   ASP  23          2HB       ASP  23 -12.094   1.191  -4.026
   16    H    ALA  24           H        ALA  24 -11.291  -0.057  -1.832
   17    HA   ALA  24           HA       ALA  24  -8.826   0.923  -0.500
   18   1HB   ALA  24          1HB       ALA  24  -9.850  -1.928  -0.436
   19   2HB   ALA  24          2HB       ALA  24  -8.668  -1.064   0.587
   20   3HB   ALA  24          3HB       ALA  24 -10.384  -0.666   0.699
   21    H    GLU  25           H        GLU  25  -9.590  -1.978  -2.570
   22    HA   GLU  25           HA       GLU  25  -6.954  -2.080  -3.509
   23   1HB   GLU  25          1HB       GLU  25  -7.569  -3.780  -4.942
   24   2HB   GLU  25          2HB       GLU  25  -8.793  -3.894  -3.668
   25   1HG   GLU  25          1HG       GLU  25 -10.361  -2.660  -5.079
   26   2HG   GLU  25          2HG       GLU  25  -9.129  -2.627  -6.406
   27    H    ALA  26           H        ALA  26  -9.780  -0.367  -4.891
   28    HA   ALA  26           HA       ALA  26  -8.654   0.341  -7.327
   29   1HB   ALA  26          1HB       ALA  26 -11.055   0.760  -6.518
   30   2HB   ALA  26          2HB       ALA  26 -10.409   2.305  -5.899
   31   3HB   ALA  26          3HB       ALA  26 -10.296   1.935  -7.612
   32    H    VAL  27           H        VAL  27  -8.196   1.927  -4.145
   33    HA   VAL  27           HA       VAL  27  -6.523   4.125  -5.087
   34    HB   VAL  27           HB       VAL  27  -6.627   2.657  -2.419
   35   1HG1  VAL  27          1HG1      VAL  27  -5.303   4.543  -1.559
   36   2HG1  VAL  27          2HG1      VAL  27  -4.376   3.647  -2.754
   37   3HG1  VAL  27          3HG1      VAL  27  -5.126   5.197  -3.194
   38   1HG2  VAL  27          1HG2      VAL  27  -7.587   5.443  -3.201
   39   2HG2  VAL  27          2HG2      VAL  27  -8.654   4.035  -3.087
   40   3HG2  VAL  27          3HG2      VAL  27  -7.810   4.618  -1.641
   41    H    VAL  28           H        VAL  28  -5.665   0.623  -4.008
   42    HA   VAL  28           HA       VAL  28  -3.019   1.513  -4.367
   43    HB   VAL  28           HB       VAL  28  -3.987  -1.312  -4.194
   44   1HG1  VAL  28          1HG1      VAL  28  -1.454  -0.056  -3.047
   45   2HG1  VAL  28          2HG1      VAL  28  -1.804  -1.762  -3.157
   46   3HG1  VAL  28          3HG1      VAL  28  -1.554  -0.841  -4.638
   47   1HG2  VAL  28          1HG2      VAL  28  -3.735   0.967  -2.183
   48   2HG2  VAL  28          2HG2      VAL  28  -5.021  -0.262  -2.289
   49   3HG2  VAL  28          3HG2      VAL  28  -3.437  -0.656  -1.617
   50    H    GLN  29           H        GLN  29  -5.223  -0.226  -6.312
   51    HA   GLN  29           HA       GLN  29  -3.812  -0.665  -8.725
   52   1HB   GLN  29          1HB       GLN  29  -6.735  -0.411  -7.980
   53   2HB   GLN  29          2HB       GLN  29  -6.247  -0.882  -9.579
   54   1HG   GLN  29          1HG       GLN  29  -5.549  -2.401  -7.044
   55   2HG   GLN  29          2HG       GLN  29  -6.776  -2.845  -8.236
   56   1HE2  GLN  29          1HE2      GLN  29  -4.088  -4.137  -7.304
   57   2HE2  GLN  29          2HE2      GLN  29  -3.194  -4.351  -8.804
   58    H    GLN  30           H        GLN  30  -4.514   2.402  -7.425
   59    HA   GLN  30           HA       GLN  30  -3.750   3.376 -10.115
   60   1HB   GLN  30          1HB       GLN  30  -6.351   3.757  -9.191
   61   2HB   GLN  30          2HB       GLN  30  -5.554   5.234  -8.662
   62   1HG   GLN  30          1HG       GLN  30  -4.601   4.955 -11.289
   63   2HG   GLN  30          2HG       GLN  30  -6.228   4.286 -11.403
   64   1HE2  GLN  30          1HE2      GLN  30  -7.856   5.857  -9.970
   65   2HE2  GLN  30          2HE2      GLN  30  -7.684   7.544 -10.442
   66    H    LYS  31           H        LYS  31  -3.159   3.615  -6.746
   67    HA   LYS  31           HA       LYS  31  -1.647   6.150  -7.063
   68   1HB   LYS  31          1HB       LYS  31  -3.461   5.091  -5.061
   69   2HB   LYS  31          2HB       LYS  31  -1.905   5.208  -4.338
   70   1HG   LYS  31          1HG       LYS  31  -2.915   7.259  -3.906
   71   2HG   LYS  31          2HG       LYS  31  -1.880   7.661  -5.290
   72   1HD   LYS  31          1HD       LYS  31  -3.867   7.354  -6.802
   73   2HD   LYS  31          2HD       LYS  31  -4.831   6.886  -5.388
   74   1HE   LYS  31          1HE       LYS  31  -3.844   9.303  -4.513
   75   2HE   LYS  31          2HE       LYS  31  -3.925   9.609  -6.256
   76   1HZ   LYS  31          1HZ       LYS  31  -5.958  10.198  -5.128
   77   2HZ   LYS  31          2HZ       LYS  31  -6.290   8.882  -6.076
   78   3HZ   LYS  31          3HZ       LYS  31  -6.076   8.729  -4.444
   79    H    CYS  32           H        CYS  32  -1.286   2.681  -6.575
   80    HA   CYS  32           HA       CYS  32   1.514   3.081  -5.617
   81   1HB   CYS  32          1HB       CYS  32  -0.236   0.735  -5.107
   82   2HB   CYS  32          2HB       CYS  32   1.158   1.214  -4.175
   83    H    ILE  33           H        ILE  33  -0.605   1.028  -7.645
   84    HA   ILE  33           HA       ILE  33   1.280  -0.737  -8.641
   85    HB   ILE  33           HB       ILE  33  -0.008  -0.768 -10.738
   86   1HG1  ILE  33          1HG1      ILE  33  -1.915   1.266  -9.546
   87   2HG1  ILE  33          2HG1      ILE  33  -0.642   1.742 -10.668
   88   1HG2  ILE  33          1HG2      ILE  33  -1.665  -0.861  -8.192
   89   2HG2  ILE  33          2HG2      ILE  33  -2.059  -1.674  -9.726
   90   3HG2  ILE  33          3HG2      ILE  33  -0.636  -2.136  -8.801
   91   1HD1  ILE  33          1HD1      ILE  33  -2.814  -0.263 -11.337
   92   2HD1  ILE  33          2HD1      ILE  33  -2.665   1.406 -11.918
   93   3HD1  ILE  33          3HD1      ILE  33  -1.455   0.200 -12.383
   94    H    SER  34           H        SER  34   0.967   2.695  -9.395
   95    HA   SER  34           HA       SER  34   2.466   3.198 -11.552
   96   1HB   SER  34          1HB       SER  34   2.783   4.516  -8.825
   97   2HB   SER  34          2HB       SER  34   3.063   5.277 -10.402
   98    HG   SER  34           HG       SER  34   0.838   5.013 -10.832
   99    H    CYS  35           H        CYS  35   3.765   2.059  -8.405
  100    HA   CYS  35           HA       CYS  35   6.421   1.718  -9.738
  101   1HB   CYS  35          1HB       CYS  35   6.216   2.136  -6.757
  102   2HB   CYS  35          2HB       CYS  35   7.598   2.260  -7.827
  103    H    HIS  36           H        HIS  36   4.106   0.416  -7.286
  104    HA   HIS  36           HA       HIS  36   5.666  -1.985  -6.929
  105   1HB   HIS  36          1HB       HIS  36   2.845  -1.205  -6.190
  106   2HB   HIS  36          2HB       HIS  36   3.579  -2.768  -5.776
  107    HD1  HIS  36           1HD      HIS  36   5.763  -2.705  -4.125
  108    HD2  HIS  36           2HD      HIS  36   3.620   0.904  -4.651
  109    HE1  HIS  36           1HE      HIS  36   6.488  -1.124  -2.266
  110    H    GLY  37           H        GLY  37   3.563  -1.074  -9.525
  111   1HA   GLY  37          1HA       GLY  37   3.376  -2.236 -11.512
  112   2HA   GLY  37          2HA       GLY  37   3.907  -3.746 -10.748
  113    H    GLY  38           H        GLY  38   1.562  -3.418 -12.427
  114   1HA   GLY  38          1HA       GLY  38  -0.897  -2.907 -11.456
  115   2HA   GLY  38          2HA       GLY  38  -0.565  -4.286 -12.504
  116    H    ASP  39           H        ASP  39   0.417  -6.257 -11.239
  117    HA   ASP  39           HA       ASP  39  -1.525  -7.108  -9.367
  118   1HB   ASP  39          1HB       ASP  39   1.117  -8.396 -10.117
  119   2HB   ASP  39          2HB       ASP  39  -0.329  -9.210  -9.495
  120    H    LEU  40           H        LEU  40   1.049  -5.094  -8.706
  121    HA   LEU  40           HA       LEU  40   2.220  -4.461  -6.910
  122   1HB   LEU  40          1HB       LEU  40   0.101  -5.978  -5.349
  123   2HB   LEU  40          2HB       LEU  40   1.212  -4.790  -4.698
  124    HG   LEU  40           HG       LEU  40  -0.186  -3.789  -7.136
  125   1HD1  LEU  40          1HD1      LEU  40  -1.852  -4.478  -4.698
  126   2HD1  LEU  40          2HD1      LEU  40  -2.337  -3.405  -6.033
  127   3HD1  LEU  40          3HD1      LEU  40  -2.034  -5.127  -6.345
  128   1HD2  LEU  40          1HD2      LEU  40   1.256  -2.565  -5.398
  129   2HD2  LEU  40          2HD2      LEU  40  -0.236  -1.814  -5.973
  130   3HD2  LEU  40          3HD2      LEU  40  -0.189  -2.650  -4.387
  131    H    THR  41           H        THR  41   2.830  -6.950  -8.309
  132    HA   THR  41           HA       THR  41   4.139  -8.789  -6.539
  133    HB   THR  41           HB       THR  41   4.936  -9.480  -8.963
  134    HG1  THR  41           1HG      THR  41   3.486  -8.522 -10.535
  135   1HG2  THR  41          1HG2      THR  41   1.983  -9.424  -8.166
  136   2HG2  THR  41          2HG2      THR  41   2.665 -10.433  -9.459
  137   3HG2  THR  41          3HG2      THR  41   3.161 -10.685  -7.775
  138    H    GLY  42           H        GLY  42   4.943  -5.625  -7.736
  139   1HA   GLY  42          1HA       GLY  42   6.681  -4.539  -6.740
  140   2HA   GLY  42          2HA       GLY  42   7.621  -6.027  -6.556
  141    H    ALA  43           H        ALA  43   6.439  -3.710  -8.984
  142    HA   ALA  43           HA       ALA  43   8.394  -4.586 -10.988
  143   1HB   ALA  43          1HB       ALA  43   6.415  -2.275 -10.943
  144   2HB   ALA  43          2HB       ALA  43   7.475  -2.685 -12.309
  145   3HB   ALA  43          3HB       ALA  43   6.254  -3.841 -11.747
  146    H    SER  44           H        SER  44   7.912  -1.237  -9.932
  147    HA   SER  44           HA       SER  44  10.829  -0.699  -9.953
  148   1HB   SER  44          1HB       SER  44   8.353   0.833 -10.517
  149   2HB   SER  44          2HB       SER  44   9.487   1.712  -9.493
  150    HG   SER  44           HG       SER  44  11.071   1.399 -11.053
  151    H    ALA  45           H        ALA  45   8.764  -1.881  -7.720
  152    HA   ALA  45           HA       ALA  45  10.142  -0.738  -5.379
  153   1HB   ALA  45          1HB       ALA  45   7.955  -0.278  -4.326
  154   2HB   ALA  45          2HB       ALA  45   8.145   0.703  -5.784
  155   3HB   ALA  45          3HB       ALA  45   7.124  -0.734  -5.820
  156    HA   PRO  46           HA       PRO  46   9.886  -5.053  -4.503
  157   1HB   PRO  46          1HB       PRO  46   9.347  -5.297  -1.801
  158   2HB   PRO  46          2HB       PRO  46  10.909  -4.728  -2.458
  159   1HG   PRO  46          1HG       PRO  46   8.573  -3.047  -1.535
  160   2HG   PRO  46          2HG       PRO  46  10.286  -2.901  -1.037
  161   1HD   PRO  46          1HD       PRO  46   9.261  -1.326  -2.977
  162   2HD   PRO  46          2HD       PRO  46  10.887  -2.022  -3.209
  163    H    ALA  47           H        ALA  47   8.463  -6.849  -3.779
  164    HA   ALA  47           HA       ALA  47   5.784  -6.530  -4.747
  165   1HB   ALA  47          1HB       ALA  47   5.531  -8.867  -4.141
  166   2HB   ALA  47          2HB       ALA  47   7.154  -8.664  -4.836
  167   3HB   ALA  47          3HB       ALA  47   6.958  -8.809  -3.085
  168    H    ILE  48           H        ILE  48   4.121  -5.632  -3.619
  169    HA   ILE  48           HA       ILE  48   4.166  -5.961  -0.654
  170    HB   ILE  48           HB       ILE  48   3.156  -3.848  -0.235
  171   1HG1  ILE  48          1HG1      ILE  48   3.304  -2.063  -2.058
  172   2HG1  ILE  48          2HG1      ILE  48   3.304  -3.383  -3.216
  173   1HG2  ILE  48          1HG2      ILE  48   5.603  -4.103  -0.216
  174   2HG2  ILE  48          2HG2      ILE  48   5.660  -3.584  -1.912
  175   3HG2  ILE  48          3HG2      ILE  48   5.102  -2.465  -0.661
  176   1HD1  ILE  48          1HD1      ILE  48   1.077  -2.241  -2.671
  177   2HD1  ILE  48          2HD1      ILE  48   1.012  -3.997  -2.393
  178   3HD1  ILE  48          3HD1      ILE  48   1.196  -2.864  -1.031
  179    H    ASP  49           H        ASP  49   2.607  -6.948  -3.415
  180    HA   ASP  49           HA       ASP  49  -0.056  -7.210  -2.744
  181   1HB   ASP  49          1HB       ASP  49   0.020  -9.334  -3.875
  182   2HB   ASP  49          2HB       ASP  49   1.067  -8.202  -4.728
  183    H    LYS  50           H        LYS  50   2.658  -9.001  -1.372
  184    HA   LYS  50           HA       LYS  50   0.932 -10.271   0.712
  185   1HB   LYS  50          1HB       LYS  50   3.637 -10.902  -0.463
  186   2HB   LYS  50          2HB       LYS  50   3.104 -11.658   1.046
  187   1HG   LYS  50          1HG       LYS  50   1.579 -13.016   0.054
  188   2HG   LYS  50          2HG       LYS  50   1.000 -11.737  -1.015
  189   1HD   LYS  50          1HD       LYS  50   1.923 -13.396  -2.422
  190   2HD   LYS  50          2HD       LYS  50   2.949 -11.958  -2.447
  191   1HE   LYS  50          1HE       LYS  50   4.506 -13.066  -0.804
  192   2HE   LYS  50          2HE       LYS  50   3.556 -14.552  -0.979
  193   1HZ   LYS  50          1HZ       LYS  50   4.065 -14.502  -3.328
  194   2HZ   LYS  50          2HZ       LYS  50   4.874 -13.081  -3.172
  195   3HZ   LYS  50          3HZ       LYS  50   5.475 -14.449  -2.469
  196    H    ALA  51           H        ALA  51   2.340  -7.383   0.616
  197    HA   ALA  51           HA       ALA  51   4.102  -7.245   2.807
  198   1HB   ALA  51          1HB       ALA  51   3.692  -5.386   1.371
  199   2HB   ALA  51          2HB       ALA  51   1.992  -5.282   1.869
  200   3HB   ALA  51          3HB       ALA  51   3.280  -4.910   3.035
  201    H    GLY  52           H        GLY  52   0.455  -7.286   2.809
  202   1HA   GLY  52          1HA       GLY  52  -0.067  -7.000   5.508
  203   2HA   GLY  52          2HA       GLY  52  -0.953  -8.045   4.399
  204    H    ALA  53           H        ALA  53   1.401  -9.837   3.922
  205    HA   ALA  53           HA       ALA  53   0.898 -11.689   6.098
  206   1HB   ALA  53          1HB       ALA  53   1.331 -12.358   3.689
  207   2HB   ALA  53          2HB       ALA  53   3.025 -11.879   3.928
  208   3HB   ALA  53          3HB       ALA  53   2.331 -13.186   4.897
  209    H    ASN  54           H        ASN  54   3.516  -9.489   5.128
  210    HA   ASN  54           HA       ASN  54   5.379 -10.569   7.164
  211   1HB   ASN  54          1HB       ASN  54   5.652  -8.304   5.143
  212   2HB   ASN  54          2HB       ASN  54   6.931  -8.873   6.221
  213   1HD2  ASN  54          1HD2      ASN  54   6.363  -8.942   3.104
  214   2HD2  ASN  54          2HD2      ASN  54   6.850 -10.582   2.719
  215    H    TYR  55           H        TYR  55   3.478  -7.666   6.498
  216    HA   TYR  55           HA       TYR  55   4.257  -6.393   9.083
  217   1HB   TYR  55          1HB       TYR  55   3.624  -4.989   6.466
  218   2HB   TYR  55          2HB       TYR  55   4.246  -4.268   7.950
  219    HD1  TYR  55           1HD      TYR  55   5.285  -3.873   5.119
  220    HD2  TYR  55           2HD      TYR  55   6.530  -6.407   8.379
  221    HE1  TYR  55           1HE      TYR  55   7.602  -3.914   4.222
  222    HE2  TYR  55           2HE      TYR  55   8.796  -6.523   7.427
  223    HH   TYR  55           HH       TYR  55  10.219  -5.785   5.761
  224    H    SER  56           H        SER  56   2.510  -4.999   9.912
  225    HA   SER  56           HA       SER  56  -0.170  -6.131   9.228
  226   1HB   SER  56          1HB       SER  56   1.003  -4.780  11.668
  227   2HB   SER  56          2HB       SER  56  -0.748  -4.969  11.457
  228    HG   SER  56           HG       SER  56   0.197  -6.660  12.603
  229    H    GLU  57           H        GLU  57  -2.041  -4.534   9.499
  230    HA   GLU  57           HA       GLU  57  -1.874  -2.552   7.536
  231   1HB   GLU  57          1HB       GLU  57  -3.982  -1.675   8.476
  232   2HB   GLU  57          2HB       GLU  57  -4.044  -3.370   8.085
  233   1HG   GLU  57          1HG       GLU  57  -4.533  -3.967  10.211
  234   2HG   GLU  57          2HG       GLU  57  -3.291  -2.934  10.923
  235    H    GLU  58           H        GLU  58  -1.450  -2.209  11.087
  236    HA   GLU  58           HA       GLU  58  -1.157   0.525  11.307
  237   1HB   GLU  58          1HB       GLU  58   0.222  -0.013  13.310
  238   2HB   GLU  58          2HB       GLU  58  -1.256  -0.962  13.174
  239   1HG   GLU  58          1HG       GLU  58   0.448  -2.697  11.967
  240   2HG   GLU  58          2HG       GLU  58   1.592  -1.854  13.014
  241    H    GLU  59           H        GLU  59   1.458  -1.794  10.491
  242    HA   GLU  59           HA       GLU  59   3.532   0.117  10.116
  243   1HB   GLU  59          1HB       GLU  59   3.091  -2.606   8.818
  244   2HB   GLU  59          2HB       GLU  59   4.626  -1.739   8.860
  245   1HG   GLU  59          1HG       GLU  59   3.175  -2.688  11.379
  246   2HG   GLU  59          2HG       GLU  59   4.434  -3.591  10.533
  247    H    ILE  60           H        ILE  60   1.329  -1.509   7.815
  248    HA   ILE  60           HA       ILE  60   2.528  -0.391   5.477
  249    HB   ILE  60           HB       ILE  60  -0.235  -1.556   5.929
  250   1HG1  ILE  60          1HG1      ILE  60   2.201  -2.820   4.623
  251   2HG1  ILE  60          2HG1      ILE  60   1.869  -2.975   6.350
  252   1HG2  ILE  60          1HG2      ILE  60   0.041  -1.987   3.333
  253   2HG2  ILE  60          2HG2      ILE  60  -0.551  -0.442   3.938
  254   3HG2  ILE  60          3HG2      ILE  60   1.142  -0.603   3.416
  255   1HD1  ILE  60          1HD1      ILE  60  -0.394  -3.957   5.757
  256   2HD1  ILE  60          2HD1      ILE  60   0.238  -4.114   4.099
  257   3HD1  ILE  60          3HD1      ILE  60   1.051  -4.933   5.433
  258    H    LEU  61           H        LEU  61  -0.307   0.562   7.354
  259    HA   LEU  61           HA       LEU  61  -1.199   2.861   6.069
  260   1HB   LEU  61          1HB       LEU  61  -2.204   1.756   8.063
  261   2HB   LEU  61          2HB       LEU  61  -0.904   2.344   9.068
  262    HG   LEU  61           HG       LEU  61  -1.561   4.678   8.613
  263   1HD1  LEU  61          1HD1      LEU  61  -2.604   4.488   6.428
  264   2HD1  LEU  61          2HD1      LEU  61  -3.818   3.362   7.062
  265   3HD1  LEU  61          3HD1      LEU  61  -3.832   5.069   7.557
  266   1HD2  LEU  61          1HD2      LEU  61  -2.451   3.509  10.580
  267   2HD2  LEU  61          2HD2      LEU  61  -3.640   4.654   9.933
  268   3HD2  LEU  61          3HD2      LEU  61  -3.826   2.914   9.621
  269    H    ASP  62           H        ASP  62   1.292   2.545   8.675
  270    HA   ASP  62           HA       ASP  62   1.938   5.291   8.697
  271   1HB   ASP  62          1HB       ASP  62   2.668   3.609  10.418
  272   2HB   ASP  62          2HB       ASP  62   3.891   3.030   9.280
  273    H    ILE  63           H        ILE  63   3.293   2.594   6.776
  274    HA   ILE  63           HA       ILE  63   5.347   4.182   5.527
  275    HB   ILE  63           HB       ILE  63   4.017   1.538   4.917
  276   1HG1  ILE  63          1HG1      ILE  63   6.596   1.024   4.490
  277   2HG1  ILE  63          2HG1      ILE  63   6.850   2.510   5.400
  278   1HG2  ILE  63          1HG2      ILE  63   3.900   2.372   2.715
  279   2HG2  ILE  63          2HG2      ILE  63   5.526   3.126   2.816
  280   3HG2  ILE  63          3HG2      ILE  63   5.337   1.380   2.778
  281   1HD1  ILE  63          1HD1      ILE  63   5.246   0.071   6.309
  282   2HD1  ILE  63          2HD1      ILE  63   6.917   0.435   6.773
  283   3HD1  ILE  63          3HD1      ILE  63   5.610   1.513   7.300
  284    H    ILE  64           H        ILE  64   1.965   3.517   4.510
  285    HA   ILE  64           HA       ILE  64   2.121   4.952   2.049
  286    HB   ILE  64           HB       ILE  64  -0.185   4.432   3.955
  287   1HG1  ILE  64          1HG1      ILE  64   0.294   3.081   1.297
  288   2HG1  ILE  64          2HG1      ILE  64   1.236   2.540   2.686
  289   1HG2  ILE  64          1HG2      ILE  64  -1.604   4.807   1.861
  290   2HG2  ILE  64          2HG2      ILE  64  -0.918   6.255   2.606
  291   3HG2  ILE  64          3HG2      ILE  64  -0.173   5.583   1.148
  292   1HD1  ILE  64          1HD1      ILE  64  -0.733   1.212   2.520
  293   2HD1  ILE  64          2HD1      ILE  64  -0.813   2.162   3.999
  294   3HD1  ILE  64          3HD1      ILE  64  -1.789   2.651   2.615
  295    H    LEU  65           H        LEU  65   1.193   6.004   5.323
  296    HA   LEU  65           HA       LEU  65   0.665   8.727   4.581
  297   1HB   LEU  65          1HB       LEU  65   1.275   7.399   7.235
  298   2HB   LEU  65          2HB       LEU  65   0.710   9.065   7.063
  299    HG   LEU  65           HG       LEU  65  -0.961   6.658   6.141
  300   1HD1  LEU  65          1HD1      LEU  65  -1.141   8.356   8.681
  301   2HD1  LEU  65          2HD1      LEU  65  -2.211   7.016   8.220
  302   3HD1  LEU  65          3HD1      LEU  65  -0.511   6.701   8.634
  303   1HD2  LEU  65          1HD2      LEU  65  -1.561   9.601   6.500
  304   2HD2  LEU  65          2HD2      LEU  65  -1.518   8.639   4.995
  305   3HD2  LEU  65          3HD2      LEU  65  -2.765   8.327   6.222
  306    H    ASN  66           H        ASN  66   3.617   7.056   5.474
  307    HA   ASN  66           HA       ASN  66   5.088   9.589   6.030
  308   1HB   ASN  66          1HB       ASN  66   5.642   6.649   6.614
  309   2HB   ASN  66          2HB       ASN  66   6.865   7.867   6.753
  310   1HD2  ASN  66          1HD2      ASN  66   3.605   7.117   7.839
  311   2HD2  ASN  66          2HD2      ASN  66   3.916   7.438   9.507
  312    H    GLY  67           H        GLY  67   5.637   6.490   4.310
  313   1HA   GLY  67          1HA       GLY  67   6.471   6.739   1.929
  314   2HA   GLY  67          2HA       GLY  67   7.786   7.688   2.659
  315    H    GLN  68           H        GLN  68   9.056   5.957   1.696
  316    HA   GLN  68           HA       GLN  68  10.052   4.192   3.655
  317   1HB   GLN  68          1HB       GLN  68   8.362   2.470   2.592
  318   2HB   GLN  68          2HB       GLN  68   9.007   2.956   1.039
  319   1HG   GLN  68          1HG       GLN  68   9.768   0.825   1.946
  320   2HG   GLN  68          2HG       GLN  68  11.107   1.900   1.523
  321   1HE2  GLN  68          1HE2      GLN  68  10.177  -0.390   3.639
  322   2HE2  GLN  68          2HE2      GLN  68  11.029   0.168   5.071
  323    H    GLY  69           H        GLY  69  12.280   3.493   2.686
  324   1HA   GLY  69          1HA       GLY  69  14.027   5.140   1.904
  325   2HA   GLY  69          2HA       GLY  69  13.976   3.637   0.984
  326    H    GLY  70           H        GLY  70  13.029   3.709  -1.270
  327   1HA   GLY  70          1HA       GLY  70  13.279   6.346  -2.532
  328   2HA   GLY  70          2HA       GLY  70  13.117   4.760  -3.279
  329    H    MET  71           H        MET  71  10.753   5.504  -0.836
  330    HA   MET  71           HA       MET  71   8.648   5.704  -2.926
  331   1HB   MET  71          1HB       MET  71   8.606   3.825  -1.317
  332   2HB   MET  71          2HB       MET  71   8.539   4.956  -0.002
  333   1HG   MET  71          1HG       MET  71   6.423   5.753  -0.519
  334   2HG   MET  71          2HG       MET  71   6.361   4.967  -2.092
  335   1HE   MET  71          1HE       MET  71   3.737   3.431   0.651
  336   2HE   MET  71          2HE       MET  71   4.555   4.983   0.929
  337   3HE   MET  71          3HE       MET  71   3.884   4.594  -0.673
  338    HA   PRO  72           HA       PRO  72   8.631   9.973  -1.654
  339   1HB   PRO  72          1HB       PRO  72   6.262  10.884  -2.762
  340   2HB   PRO  72          2HB       PRO  72   7.751  10.543  -3.689
  341   1HG   PRO  72          1HG       PRO  72   5.373   8.735  -3.293
  342   2HG   PRO  72          2HG       PRO  72   6.222   9.104  -4.817
  343   1HD   PRO  72          1HD       PRO  72   6.772   6.835  -3.463
  344   2HD   PRO  72          2HD       PRO  72   8.114   7.782  -4.181
  345    H    GLY  73           H        GLY  73   5.623   8.161  -1.104
  346   1HA   GLY  73          1HA       GLY  73   4.485   7.867   0.906
  347   2HA   GLY  73          2HA       GLY  73   5.606   8.984   1.697
  348    H    GLY  74           H        GLY  74   2.844   8.973   2.133
  349   1HA   GLY  74          1HA       GLY  74   1.090  10.416   2.337
  350   2HA   GLY  74          2HA       GLY  74   2.111  11.752   1.754
  351    H    ILE  75           H        ILE  75   1.789   8.843  -0.104
  352    HA   ILE  75           HA       ILE  75   0.696  10.047  -2.451
  353    HB   ILE  75           HB       ILE  75   1.027   7.203  -1.442
  354   1HG1  ILE  75          1HG1      ILE  75   2.671   8.250  -3.712
  355   2HG1  ILE  75          2HG1      ILE  75   3.038   8.970  -2.143
  356   1HG2  ILE  75          1HG2      ILE  75   0.880   6.522  -3.861
  357   2HG2  ILE  75          2HG2      ILE  75  -0.646   7.037  -3.139
  358   3HG2  ILE  75          3HG2      ILE  75   0.246   8.137  -4.224
  359   1HD1  ILE  75          1HD1      ILE  75   3.546   6.894  -1.140
  360   2HD1  ILE  75          2HD1      ILE  75   2.771   5.981  -2.439
  361   3HD1  ILE  75          3HD1      ILE  75   4.312   6.798  -2.744
  362    H    ALA  76           H        ALA  76  -0.713   8.559   0.449
  363    HA   ALA  76           HA       ALA  76  -3.407   9.290  -0.408
  364   1HB   ALA  76          1HB       ALA  76  -3.371   6.983  -1.167
  365   2HB   ALA  76          2HB       ALA  76  -2.457   6.457   0.260
  366   3HB   ALA  76          3HB       ALA  76  -4.140   6.946   0.435
  367    H    LYS  77           H        LYS  77  -4.572   9.906   1.540
  368    HA   LYS  77           HA       LYS  77  -3.361   9.258   4.118
  369   1HB   LYS  77          1HB       LYS  77  -3.861  12.095   3.109
  370   2HB   LYS  77          2HB       LYS  77  -3.728  11.659   4.803
  371   1HG   LYS  77          1HG       LYS  77  -1.470  10.478   3.710
  372   2HG   LYS  77          2HG       LYS  77  -1.591  11.956   2.771
  373   1HD   LYS  77          1HD       LYS  77  -1.481  13.276   4.882
  374   2HD   LYS  77          2HD       LYS  77  -1.582  11.781   5.826
  375   1HE   LYS  77          1HE       LYS  77   0.539  11.109   4.308
  376   2HE   LYS  77          2HE       LYS  77   0.753  12.853   4.196
  377   1HZ   LYS  77          1HZ       LYS  77   1.925  11.524   5.928
  378   2HZ   LYS  77          2HZ       LYS  77   1.149  12.870   6.526
  379   3HZ   LYS  77          3HZ       LYS  77   0.520  11.354   6.734
  380    H    GLY  78           H        GLY  78  -4.757   9.889   5.932
  381   1HA   GLY  78          1HA       GLY  78  -6.705   9.498   7.052
  382   2HA   GLY  78          2HA       GLY  78  -7.491  10.409   5.749
  383    H    ALA  79           H        ALA  79  -9.265   9.207   5.324
  384    HA   ALA  79           HA       ALA  79  -9.751   6.519   5.497
  385   1HB   ALA  79          1HB       ALA  79 -10.816   8.437   3.385
  386   2HB   ALA  79          2HB       ALA  79 -11.533   6.877   3.838
  387   3HB   ALA  79          3HB       ALA  79 -11.473   8.196   5.022
  388    H    GLU  80           H        GLU  80  -8.020   8.185   2.855
  389    HA   GLU  80           HA       GLU  80  -8.109   6.000   0.996
  390   1HB   GLU  80          1HB       GLU  80  -7.566   8.564   0.694
  391   2HB   GLU  80          2HB       GLU  80  -5.922   8.093   1.088
  392   1HG   GLU  80          1HG       GLU  80  -6.006   6.486  -0.846
  393   2HG   GLU  80          2HG       GLU  80  -7.676   6.983  -1.157
  394    H    ALA  81           H        ALA  81  -5.604   7.013   3.428
  395    HA   ALA  81           HA       ALA  81  -3.922   4.774   2.740
  396   1HB   ALA  81          1HB       ALA  81  -3.854   6.505   5.230
  397   2HB   ALA  81          2HB       ALA  81  -2.532   5.535   4.520
  398   3HB   ALA  81          3HB       ALA  81  -3.132   6.954   3.667
  399    H    GLU  82           H        GLU  82  -6.354   5.443   5.315
  400    HA   GLU  82           HA       GLU  82  -6.011   3.039   6.807
  401   1HB   GLU  82          1HB       GLU  82  -8.369   4.877   6.312
  402   2HB   GLU  82          2HB       GLU  82  -8.532   3.396   7.254
  403   1HG   GLU  82          1HG       GLU  82  -6.780   4.123   8.808
  404   2HG   GLU  82          2HG       GLU  82  -6.557   5.625   7.889
  405    H    ALA  83           H        ALA  83  -8.258   3.694   4.071
  406    HA   ALA  83           HA       ALA  83  -9.363   1.122   3.887
  407   1HB   ALA  83          1HB       ALA  83  -8.800   3.099   1.630
  408   2HB   ALA  83          2HB       ALA  83  -9.912   1.717   1.562
  409   3HB   ALA  83          3HB       ALA  83 -10.251   3.062   2.659
  410    H    VAL  84           H        VAL  84  -6.482   2.482   2.166
  411    HA   VAL  84           HA       VAL  84  -5.664   0.100   0.904
  412    HB   VAL  84           HB       VAL  84  -3.939   2.298   2.122
  413   1HG1  VAL  84          1HG1      VAL  84  -3.191  -0.077   0.377
  414   2HG1  VAL  84          2HG1      VAL  84  -2.162   1.333   0.689
  415   3HG1  VAL  84          3HG1      VAL  84  -2.597   0.238   1.996
  416   1HG2  VAL  84          1HG2      VAL  84  -4.958   3.311   0.309
  417   2HG2  VAL  84          2HG2      VAL  84  -3.527   2.623  -0.449
  418   3HG2  VAL  84          3HG2      VAL  84  -5.104   1.807  -0.609
  419    H    ALA  85           H        ALA  85  -4.513   1.261   4.128
  420    HA   ALA  85           HA       ALA  85  -2.824  -0.857   4.748
  421   1HB   ALA  85          1HB       ALA  85  -3.102  -0.152   7.045
  422   2HB   ALA  85          2HB       ALA  85  -3.065   1.265   5.979
  423   3HB   ALA  85          3HB       ALA  85  -4.605   0.710   6.670
  424    H    ALA  86           H        ALA  86  -6.316  -0.592   5.636
  425    HA   ALA  86           HA       ALA  86  -6.547  -3.114   6.908
  426   1HB   ALA  86          1HB       ALA  86  -8.267  -1.379   7.054
  427   2HB   ALA  86          2HB       ALA  86  -8.619  -1.535   5.319
  428   3HB   ALA  86          3HB       ALA  86  -8.968  -2.884   6.424
  429    H    TRP  87           H        TRP  87  -7.263  -2.234   3.477
  430    HA   TRP  87           HA       TRP  87  -7.957  -4.871   2.647
  431   1HB   TRP  87          1HB       TRP  87  -8.630  -3.020   1.431
  432   2HB   TRP  87          2HB       TRP  87  -6.965  -2.412   1.225
  433    HD1  TRP  87           HD       TRP  87  -9.336  -5.071  -0.265
  434    HE1  TRP  87           1HE      TRP  87  -8.312  -5.998  -2.383
  435    HE3  TRP  87           3HE      TRP  87  -4.926  -2.421  -0.277
  436    HZ2  TRP  87           2HZ      TRP  87  -4.788  -5.405  -2.628
  437    HZ3  TRP  87           3HZ      TRP  87  -3.517  -2.593  -2.356
  438    HH2  TRP  87           HH       TRP  87  -4.332  -3.753  -4.329
  439    H    LEU  88           H        LEU  88  -4.835  -3.192   2.767
  440    HA   LEU  88           HA       LEU  88  -3.401  -5.214   1.338
  441   1HB   LEU  88          1HB       LEU  88  -2.832  -2.601   2.179
  442   2HB   LEU  88          2HB       LEU  88  -1.753  -3.591   3.119
  443    HG   LEU  88           HG       LEU  88  -0.958  -2.735   0.909
  444   1HD1  LEU  88          1HD1      LEU  88  -0.899  -5.713   0.564
  445   2HD1  LEU  88          2HD1      LEU  88   0.390  -4.478   0.525
  446   3HD1  LEU  88          3HD1      LEU  88  -0.245  -5.053   2.079
  447   1HD2  LEU  88          1HD2      LEU  88  -1.426  -3.585  -1.168
  448   2HD2  LEU  88          2HD2      LEU  88  -2.838  -4.460  -0.551
  449   3HD2  LEU  88          3HD2      LEU  88  -2.713  -2.674  -0.369
  450    H    ALA  89           H        ALA  89  -3.907  -4.583   4.791
  451    HA   ALA  89           HA       ALA  89  -2.440  -6.847   5.784
  452   1HB   ALA  89          1HB       ALA  89  -3.155  -5.224   7.331
  453   2HB   ALA  89          2HB       ALA  89  -4.871  -5.399   6.874
  454   3HB   ALA  89          3HB       ALA  89  -4.029  -6.716   7.714
  455    H    GLU  90           H        GLU  90  -5.767  -6.487   4.494
  456    HA   GLU  90           HA       GLU  90  -6.426  -9.277   4.857
  457   1HB   GLU  90          1HB       GLU  90  -8.041  -7.498   4.851
  458   2HB   GLU  90          2HB       GLU  90  -7.665  -7.055   3.200
  459   1HG   GLU  90          1HG       GLU  90  -8.591  -9.882   3.732
  460   2HG   GLU  90          2HG       GLU  90  -9.768  -8.567   3.828
  461    H    LYS  91           H        LYS  91  -4.482  -7.617   2.487
  462    HA   LYS  91           HA       LYS  91  -5.105  -9.219   0.325
  463   1HB   LYS  91          1HB       LYS  91  -4.235  -6.884   0.309
  464   2HB   LYS  91          2HB       LYS  91  -2.614  -7.506   0.633
  465   1HG   LYS  91          1HG       LYS  91  -3.024  -6.876  -1.701
  466   2HG   LYS  91          2HG       LYS  91  -2.593  -8.571  -1.594
  467   1HD   LYS  91          1HD       LYS  91  -5.505  -7.689  -1.597
  468   2HD   LYS  91          2HD       LYS  91  -4.608  -7.829  -3.108
  469   1HE   LYS  91          1HE       LYS  91  -4.206 -10.238  -1.443
  470   2HE   LYS  91          2HE       LYS  91  -5.911  -9.926  -1.647
  471   1HZ   LYS  91          1HZ       LYS  91  -5.545  -9.895  -4.032
  472   2HZ   LYS  91          2HZ       LYS  91  -3.925 -10.138  -3.819
  473   3HZ   LYS  91          3HZ       LYS  91  -4.999 -11.305  -3.380
  474    H    LYS  92           H        LYS  92  -4.030 -10.767   2.703
  475    HA   LYS  92           HA       LYS  92  -1.231 -11.405   1.884
  476   1HB   LYS  92          1HB       LYS  92  -0.825 -11.587   4.111
  477   2HB   LYS  92          2HB       LYS  92  -1.819 -10.130   3.771
  478   1HG   LYS  92          1HG       LYS  92  -3.807 -11.230   4.700
  479   2HG   LYS  92          2HG       LYS  92  -2.942 -12.760   4.891
  480   1HD   LYS  92          1HD       LYS  92  -1.503 -11.871   6.584
  481   2HD   LYS  92          2HD       LYS  92  -2.054 -10.214   6.279
  482   1HE   LYS  92          1HE       LYS  92  -4.229 -10.611   7.172
  483   2HE   LYS  92          2HE       LYS  92  -3.983 -12.361   7.231
  484   1HZ   LYS  92          1HZ       LYS  92  -2.388 -12.056   8.943
  485   2HZ   LYS  92          2HZ       LYS  92  -2.422 -10.415   8.802
  486   3HZ   LYS  92          3HZ       LYS  92  -3.740 -11.222   9.376
  487    HHA  HEC  93           HHA      HEC  93   8.571  -0.183   0.457
  488    HHB  HEC  93           HHB      HEC  93   2.152  -0.079   0.697
  489    HHC  HEC  93           HHC      HEC  93   2.309   4.303  -4.025
  490    HHD  HEC  93           HHD      HEC  93   8.557   3.279  -4.857
  491   1HMA  HEC  93          1HMA      HEC  93   4.043  -1.020   3.449
  492   2HMA  HEC  93          2HMA      HEC  93   2.946  -1.632   2.188
  493   3HMA  HEC  93          3HMA      HEC  93   4.413  -2.531   2.592
  494   1HAA  HEC  93          1HAA      HEC  93   6.763  -1.848   3.141
  495   2HAA  HEC  93          2HAA      HEC  93   7.842  -0.591   2.653
  496   1HBA  HEC  93          1HBA      HEC  93   7.934  -2.159   0.471
  497   2HBA  HEC  93          2HBA      HEC  93   7.434  -3.407   1.609
  498   1HMB  HEC  93          1HMB      HEC  93  -0.897   1.262  -1.108
  499   2HMB  HEC  93          2HMB      HEC  93   0.127  -0.169  -1.036
  500   3HMB  HEC  93          3HMB      HEC  93  -0.009   0.870   0.388
  501    HAB  HEC  93           HAB      HEC  93   0.429   4.345  -3.175
  502   1HBB  HEC  93          1HBB      HEC  93  -0.196   4.936  -0.975
  503   2HBB  HEC  93          2HBB      HEC  93  -1.658   4.608  -1.918
  504   3HBB  HEC  93          3HBB      HEC  93  -1.092   3.429  -0.725
  505   1HMC  HEC  93          1HMC      HEC  93   4.312   5.935  -6.758
  506   2HMC  HEC  93          2HMC      HEC  93   3.078   4.715  -6.451
  507   3HMC  HEC  93          3HMC      HEC  93   3.242   6.103  -5.359
  508    HAC  HEC  93           HAC      HEC  93   7.922   4.483  -6.456
  509   1HBC  HEC  93          1HBC      HEC  93   7.127   6.715  -7.611
  510   2HBC  HEC  93          2HBC      HEC  93   6.204   6.904  -6.105
  511   3HBC  HEC  93          3HBC      HEC  93   7.965   6.689  -6.064
  512   1HMD  HEC  93          1HMD      HEC  93  11.259   2.617  -3.783
  513   2HMD  HEC  93          2HMD      HEC  93  11.231   0.842  -3.947
  514   3HMD  HEC  93          3HMD      HEC  93  10.183   1.819  -4.961
  515   1HAD  HEC  93          1HAD      HEC  93  10.880  -0.656  -1.227
  516   2HAD  HEC  93          2HAD      HEC  93  10.488   0.284   0.073
  517   1HBD  HEC  93          1HBD      HEC  93  12.610   0.812   0.029
  518   2HBD  HEC  93          2HBD      HEC  93  11.758   2.232  -0.550
  Start of MODEL   15
    1   1H    VAL  22          1H        VAL  22 -14.564   3.832   0.212
    2   2H    VAL  22          2H        VAL  22 -13.514   3.734   1.480
    3   3H    VAL  22          3H        VAL  22 -14.317   5.171   1.172
    4    HA   VAL  22           HA       VAL  22 -13.252   5.219  -0.988
    5    HB   VAL  22           HB       VAL  22 -11.231   5.053   1.300
    6   1HG1  VAL  22          1HG1      VAL  22 -11.150   6.277  -1.499
    7   2HG1  VAL  22          2HG1      VAL  22  -9.972   6.647  -0.236
    8   3HG1  VAL  22          3HG1      VAL  22 -10.103   4.995  -0.856
    9   1HG2  VAL  22          1HG2      VAL  22 -11.499   7.526   1.364
   10   2HG2  VAL  22          2HG2      VAL  22 -12.828   7.412   0.194
   11   3HG2  VAL  22          3HG2      VAL  22 -12.994   6.705   1.819
   12    H    ASP  23           H        ASP  23 -12.954   3.756  -2.428
   13    HA   ASP  23           HA       ASP  23 -12.796   1.089  -1.996
   14   1HB   ASP  23          1HB       ASP  23 -12.208   2.698  -4.505
   15   2HB   ASP  23          2HB       ASP  23 -12.684   0.987  -4.468
   16    H    ALA  24           H        ALA  24 -11.115   0.389  -0.838
   17    HA   ALA  24           HA       ALA  24  -8.571   1.265  -0.714
   18   1HB   ALA  24          1HB       ALA  24  -7.992  -0.735   0.358
   19   2HB   ALA  24          2HB       ALA  24  -9.628  -0.282   0.878
   20   3HB   ALA  24          3HB       ALA  24  -9.416  -1.596  -0.301
   21    H    GLU  25           H        GLU  25  -9.551  -1.614  -2.652
   22    HA   GLU  25           HA       GLU  25  -6.924  -1.941  -3.698
   23   1HB   GLU  25          1HB       GLU  25  -7.700  -3.648  -4.995
   24   2HB   GLU  25          2HB       GLU  25  -8.867  -3.659  -3.670
   25   1HG   GLU  25          1HG       GLU  25 -10.413  -2.324  -5.091
   26   2HG   GLU  25          2HG       GLU  25  -9.245  -2.484  -6.459
   27    H    ALA  26           H        ALA  26  -9.781  -0.108  -4.889
   28    HA   ALA  26           HA       ALA  26  -8.779   0.570  -7.412
   29   1HB   ALA  26          1HB       ALA  26 -10.455   2.428  -5.732
   30   2HB   ALA  26          2HB       ALA  26 -10.358   2.331  -7.490
   31   3HB   ALA  26          3HB       ALA  26 -11.116   1.004  -6.583
   32    H    VAL  27           H        VAL  27  -8.364   2.308  -4.296
   33    HA   VAL  27           HA       VAL  27  -6.495   4.375  -5.128
   34    HB   VAL  27           HB       VAL  27  -6.628   2.763  -2.546
   35   1HG1  VAL  27          1HG1      VAL  27  -5.286   4.602  -1.591
   36   2HG1  VAL  27          2HG1      VAL  27  -4.374   3.734  -2.829
   37   3HG1  VAL  27          3HG1      VAL  27  -5.098   5.315  -3.194
   38   1HG2  VAL  27          1HG2      VAL  27  -8.653   4.166  -3.009
   39   2HG2  VAL  27          2HG2      VAL  27  -7.705   4.765  -1.639
   40   3HG2  VAL  27          3HG2      VAL  27  -7.596   5.576  -3.213
   41    H    VAL  28           H        VAL  28  -5.599   0.889  -4.057
   42    HA   VAL  28           HA       VAL  28  -3.008   1.814  -4.720
   43    HB   VAL  28           HB       VAL  28  -4.207  -0.851  -4.081
   44   1HG1  VAL  28          1HG1      VAL  28  -2.178  -1.923  -3.702
   45   2HG1  VAL  28          2HG1      VAL  28  -1.879  -0.993  -5.165
   46   3HG1  VAL  28          3HG1      VAL  28  -1.254  -0.460  -3.584
   47   1HG2  VAL  28          1HG2      VAL  28  -3.338   1.546  -2.523
   48   2HG2  VAL  28          2HG2      VAL  28  -4.466   0.256  -2.104
   49   3HG2  VAL  28          3HG2      VAL  28  -2.712   0.050  -1.871
   50    H    GLN  29           H        GLN  29  -5.293  -0.020  -6.444
   51    HA   GLN  29           HA       GLN  29  -3.898  -0.682  -8.832
   52   1HB   GLN  29          1HB       GLN  29  -6.825  -0.281  -8.107
   53   2HB   GLN  29          2HB       GLN  29  -6.337  -0.872  -9.671
   54   1HG   GLN  29          1HG       GLN  29  -5.692  -2.256  -7.040
   55   2HG   GLN  29          2HG       GLN  29  -6.989  -2.686  -8.157
   56   1HE2  GLN  29          1HE2      GLN  29  -3.928  -3.586  -7.249
   57   2HE2  GLN  29          2HE2      GLN  29  -3.326  -4.178  -8.791
   58    H    GLN  30           H        GLN  30  -4.639   2.452  -7.650
   59    HA   GLN  30           HA       GLN  30  -3.775   3.413 -10.328
   60   1HB   GLN  30          1HB       GLN  30  -6.353   3.852  -9.210
   61   2HB   GLN  30          2HB       GLN  30  -5.487   5.371  -8.983
   62   1HG   GLN  30          1HG       GLN  30  -4.863   5.336 -11.415
   63   2HG   GLN  30          2HG       GLN  30  -5.733   3.802 -11.595
   64   1HE2  GLN  30          1HE2      GLN  30  -6.203   7.239 -10.621
   65   2HE2  GLN  30          2HE2      GLN  30  -7.874   7.303 -11.167
   66    H    LYS  31           H        LYS  31  -3.095   3.462  -7.004
   67    HA   LYS  31           HA       LYS  31  -1.535   6.003  -7.188
   68   1HB   LYS  31          1HB       LYS  31  -3.040   4.568  -4.970
   69   2HB   LYS  31          2HB       LYS  31  -1.842   5.700  -4.588
   70   1HG   LYS  31          1HG       LYS  31  -3.626   6.845  -6.619
   71   2HG   LYS  31          2HG       LYS  31  -4.490   6.302  -5.176
   72   1HD   LYS  31          1HD       LYS  31  -2.879   7.523  -3.731
   73   2HD   LYS  31          2HD       LYS  31  -2.040   8.128  -5.182
   74   1HE   LYS  31          1HE       LYS  31  -3.775   9.558  -5.762
   75   2HE   LYS  31          2HE       LYS  31  -4.993   8.624  -4.846
   76   1HZ   LYS  31          1HZ       LYS  31  -4.175   9.361  -2.859
   77   2HZ   LYS  31          2HZ       LYS  31  -2.879  10.125  -3.455
   78   3HZ   LYS  31          3HZ       LYS  31  -4.433  10.699  -3.737
   79    H    CYS  32           H        CYS  32  -1.248   2.528  -6.612
   80    HA   CYS  32           HA       CYS  32   1.546   2.960  -5.614
   81   1HB   CYS  32          1HB       CYS  32  -0.068   0.502  -5.188
   82   2HB   CYS  32          2HB       CYS  32   1.286   1.076  -4.235
   83    H    ILE  33           H        ILE  33  -0.554   0.939  -7.695
   84    HA   ILE  33           HA       ILE  33   1.344  -0.779  -8.754
   85    HB   ILE  33           HB       ILE  33   0.008  -0.819 -10.809
   86   1HG1  ILE  33          1HG1      ILE  33  -1.915   1.184  -9.601
   87   2HG1  ILE  33          2HG1      ILE  33  -0.661   1.676 -10.737
   88   1HG2  ILE  33          1HG2      ILE  33  -1.625  -0.944  -8.244
   89   2HG2  ILE  33          2HG2      ILE  33  -2.015  -1.749  -9.769
   90   3HG2  ILE  33          3HG2      ILE  33  -0.555  -2.195  -8.879
   91   1HD1  ILE  33          1HD1      ILE  33  -1.460   0.073 -12.421
   92   2HD1  ILE  33          2HD1      ILE  33  -2.816  -0.362 -11.359
   93   3HD1  ILE  33          3HD1      ILE  33  -2.666   1.292 -11.986
   94    H    SER  34           H        SER  34   0.935   2.657  -9.468
   95    HA   SER  34           HA       SER  34   2.363   3.203 -11.655
   96   1HB   SER  34          1HB       SER  34   2.804   4.604  -8.997
   97   2HB   SER  34          2HB       SER  34   2.728   5.328 -10.614
   98    HG   SER  34           HG       SER  34   0.502   4.779 -10.654
   99    H    CYS  35           H        CYS  35   3.758   2.075  -8.560
  100    HA   CYS  35           HA       CYS  35   6.403   1.806  -9.932
  101   1HB   CYS  35          1HB       CYS  35   6.219   2.182  -6.935
  102   2HB   CYS  35          2HB       CYS  35   7.588   2.363  -8.014
  103    H    HIS  36           H        HIS  36   4.121   0.457  -7.511
  104    HA   HIS  36           HA       HIS  36   5.681  -1.948  -7.138
  105   1HB   HIS  36          1HB       HIS  36   2.931  -1.058  -6.304
  106   2HB   HIS  36          2HB       HIS  36   3.601  -2.640  -5.868
  107    HD1  HIS  36           1HD      HIS  36   5.747  -2.643  -4.162
  108    HD2  HIS  36           2HD      HIS  36   3.756   1.037  -4.821
  109    HE1  HIS  36           1HE      HIS  36   6.394  -1.084  -2.261
  110    H    GLY  37           H        GLY  37   3.675  -1.080  -9.768
  111   1HA   GLY  37          1HA       GLY  37   4.181  -2.423 -11.638
  112   2HA   GLY  37          2HA       GLY  37   3.926  -3.906 -10.719
  113    H    GLY  38           H        GLY  38   1.714  -4.451 -10.128
  114   1HA   GLY  38          1HA       GLY  38  -0.552  -3.118 -11.454
  115   2HA   GLY  38          2HA       GLY  38  -0.022  -4.626 -12.218
  116    H    ASP  39           H        ASP  39   0.341  -6.494 -10.570
  117    HA   ASP  39           HA       ASP  39  -1.935  -6.730  -8.742
  118   1HB   ASP  39          1HB       ASP  39   0.287  -8.585  -9.651
  119   2HB   ASP  39          2HB       ASP  39  -0.880  -9.024  -8.389
  120    H    LEU  40           H        LEU  40   0.807  -5.062  -8.373
  121    HA   LEU  40           HA       LEU  40   2.177  -4.380  -6.743
  122   1HB   LEU  40          1HB       LEU  40   0.293  -5.669  -4.729
  123   2HB   LEU  40          2HB       LEU  40   1.562  -4.490  -4.443
  124    HG   LEU  40           HG       LEU  40  -0.420  -3.306  -4.322
  125   1HD1  LEU  40          1HD1      LEU  40   1.209  -2.029  -5.460
  126   2HD1  LEU  40          2HD1      LEU  40   0.846  -2.763  -7.048
  127   3HD1  LEU  40          3HD1      LEU  40  -0.307  -1.703  -6.299
  128   1HD2  LEU  40          1HD2      LEU  40  -1.407  -4.223  -7.012
  129   2HD2  LEU  40          2HD2      LEU  40  -1.876  -4.957  -5.452
  130   3HD2  LEU  40          3HD2      LEU  40  -2.229  -3.254  -5.790
  131    H    THR  41           H        THR  41   2.487  -6.922  -8.089
  132    HA   THR  41           HA       THR  41   3.909  -8.718  -6.379
  133    HB   THR  41           HB       THR  41   4.612  -9.462  -8.799
  134    HG1  THR  41           1HG      THR  41   4.173  -7.599  -9.931
  135   1HG2  THR  41          1HG2      THR  41   2.296 -10.333  -9.232
  136   2HG2  THR  41          2HG2      THR  41   2.833 -10.594  -7.559
  137   3HG2  THR  41          3HG2      THR  41   1.686  -9.296  -7.925
  138    H    GLY  42           H        GLY  42   4.696  -5.561  -7.646
  139   1HA   GLY  42          1HA       GLY  42   6.516  -4.430  -6.851
  140   2HA   GLY  42          2HA       GLY  42   7.418  -5.926  -6.571
  141    H    ALA  43           H        ALA  43   6.941  -3.317  -8.731
  142    HA   ALA  43           HA       ALA  43   8.553  -4.659 -10.881
  143   1HB   ALA  43          1HB       ALA  43   7.689  -2.884 -12.360
  144   2HB   ALA  43          2HB       ALA  43   6.415  -3.928 -11.705
  145   3HB   ALA  43          3HB       ALA  43   6.641  -2.300 -11.050
  146    H    SER  44           H        SER  44   8.077  -1.248  -9.917
  147    HA   SER  44           HA       SER  44  11.019  -0.798  -9.943
  148   1HB   SER  44          1HB       SER  44   8.697   1.159  -9.823
  149   2HB   SER  44          2HB       SER  44  10.411   1.570  -9.978
  150    HG   SER  44           HG       SER  44   9.005  -0.091 -11.811
  151    H    ALA  45           H        ALA  45   8.886  -1.918  -7.746
  152    HA   ALA  45           HA       ALA  45  10.203  -0.788  -5.381
  153   1HB   ALA  45          1HB       ALA  45   7.986  -0.314  -4.378
  154   2HB   ALA  45          2HB       ALA  45   8.224   0.680  -5.826
  155   3HB   ALA  45          3HB       ALA  45   7.195  -0.751  -5.904
  156    HA   PRO  46           HA       PRO  46   9.858  -5.104  -4.518
  157   1HB   PRO  46          1HB       PRO  46   9.363  -5.285  -1.800
  158   2HB   PRO  46          2HB       PRO  46  10.934  -4.799  -2.498
  159   1HG   PRO  46          1HG       PRO  46   8.696  -3.002  -1.552
  160   2HG   PRO  46          2HG       PRO  46  10.426  -2.913  -1.100
  161   1HD   PRO  46          1HD       PRO  46   9.409  -1.334  -3.045
  162   2HD   PRO  46          2HD       PRO  46  11.004  -2.097  -3.297
  163    H    ALA  47           H        ALA  47   8.407  -6.834  -3.774
  164    HA   ALA  47           HA       ALA  47   5.724  -6.479  -4.663
  165   1HB   ALA  47          1HB       ALA  47   5.417  -8.782  -3.926
  166   2HB   ALA  47          2HB       ALA  47   7.012  -8.656  -4.695
  167   3HB   ALA  47          3HB       ALA  47   6.884  -8.711  -2.930
  168    H    ILE  48           H        ILE  48   4.028  -5.657  -3.552
  169    HA   ILE  48           HA       ILE  48   4.070  -5.920  -0.595
  170    HB   ILE  48           HB       ILE  48   3.015  -3.787  -0.222
  171   1HG1  ILE  48          1HG1      ILE  48   3.270  -2.020  -2.087
  172   2HG1  ILE  48          2HG1      ILE  48   3.315  -3.367  -3.200
  173   1HG2  ILE  48          1HG2      ILE  48   4.995  -2.416  -0.572
  174   2HG2  ILE  48          2HG2      ILE  48   5.446  -4.045  -0.056
  175   3HG2  ILE  48          3HG2      ILE  48   5.628  -3.562  -1.755
  176   1HD1  ILE  48          1HD1      ILE  48   1.057  -2.283  -2.877
  177   2HD1  ILE  48          2HD1      ILE  48   0.973  -3.967  -2.318
  178   3HD1  ILE  48          3HD1      ILE  48   1.127  -2.646  -1.149
  179    H    ASP  49           H        ASP  49   2.547  -6.963  -3.350
  180    HA   ASP  49           HA       ASP  49  -0.142  -7.110  -2.723
  181   1HB   ASP  49          1HB       ASP  49  -0.143  -9.155  -3.959
  182   2HB   ASP  49          2HB       ASP  49   1.125  -8.174  -4.674
  183    H    LYS  50           H        LYS  50   2.528  -8.950  -1.323
  184    HA   LYS  50           HA       LYS  50   0.744 -10.178   0.699
  185   1HB   LYS  50          1HB       LYS  50   3.445 -10.885  -0.458
  186   2HB   LYS  50          2HB       LYS  50   2.982 -11.564   1.109
  187   1HG   LYS  50          1HG       LYS  50   1.173 -11.695  -1.312
  188   2HG   LYS  50          2HG       LYS  50   2.368 -12.937  -1.000
  189   1HD   LYS  50          1HD       LYS  50   0.469 -12.196   1.272
  190   2HD   LYS  50          2HD       LYS  50  -0.189 -13.036  -0.111
  191   1HE   LYS  50          1HE       LYS  50   2.115 -14.547   0.545
  192   2HE   LYS  50          2HE       LYS  50   1.516 -13.984   2.109
  193   1HZ   LYS  50          1HZ       LYS  50  -0.062 -15.430   0.091
  194   2HZ   LYS  50          2HZ       LYS  50   0.450 -16.031   1.544
  195   3HZ   LYS  50          3HZ       LYS  50  -0.664 -14.813   1.476
  196    H    ALA  51           H        ALA  51   2.198  -7.338   0.635
  197    HA   ALA  51           HA       ALA  51   3.823  -7.220   2.921
  198   1HB   ALA  51          1HB       ALA  51   3.059  -4.849   3.059
  199   2HB   ALA  51          2HB       ALA  51   3.636  -5.367   1.462
  200   3HB   ALA  51          3HB       ALA  51   1.898  -5.196   1.767
  201    H    GLY  52           H        GLY  52   0.134  -7.381   2.761
  202   1HA   GLY  52          1HA       GLY  52  -0.339  -6.938   5.467
  203   2HA   GLY  52          2HA       GLY  52  -1.242  -8.031   4.410
  204    H    ALA  53           H        ALA  53   0.992  -9.892   3.924
  205    HA   ALA  53           HA       ALA  53   0.756 -11.580   6.292
  206   1HB   ALA  53          1HB       ALA  53   2.681 -11.849   3.944
  207   2HB   ALA  53          2HB       ALA  53   2.289 -13.067   5.162
  208   3HB   ALA  53          3HB       ALA  53   1.058 -12.554   4.008
  209    H    ASN  54           H        ASN  54   3.410  -9.748   4.771
  210    HA   ASN  54           HA       ASN  54   5.310 -10.560   6.775
  211   1HB   ASN  54          1HB       ASN  54   5.432  -8.358   4.673
  212   2HB   ASN  54          2HB       ASN  54   6.795  -8.895   5.661
  213   1HD2  ASN  54          1HD2      ASN  54   8.011 -10.643   4.959
  214   2HD2  ASN  54          2HD2      ASN  54   7.531 -11.667   3.615
  215    H    TYR  55           H        TYR  55   3.258  -7.716   6.397
  216    HA   TYR  55           HA       TYR  55   4.360  -6.475   8.867
  217   1HB   TYR  55          1HB       TYR  55   3.484  -4.823   6.507
  218   2HB   TYR  55          2HB       TYR  55   4.513  -4.360   7.856
  219    HD1  TYR  55           1HD      TYR  55   4.684  -4.277   4.595
  220    HD2  TYR  55           2HD      TYR  55   6.715  -6.318   7.797
  221    HE1  TYR  55           1HE      TYR  55   6.647  -4.618   3.129
  222    HE2  TYR  55           2HE      TYR  55   8.661  -6.704   6.305
  223    HH   TYR  55           HH       TYR  55   9.032  -5.143   3.196
  224    H    SER  56           H        SER  56   2.725  -5.148   9.950
  225    HA   SER  56           HA       SER  56  -0.028  -6.121   9.299
  226   1HB   SER  56          1HB       SER  56   1.338  -5.724  11.761
  227   2HB   SER  56          2HB       SER  56   0.031  -4.536  11.707
  228    HG   SER  56           HG       SER  56  -1.443  -6.170  11.293
  229    H    GLU  57           H        GLU  57  -1.815  -4.586   9.693
  230    HA   GLU  57           HA       GLU  57  -1.893  -2.614   7.732
  231   1HB   GLU  57          1HB       GLU  57  -3.885  -1.721   9.094
  232   2HB   GLU  57          2HB       GLU  57  -4.006  -3.323   8.397
  233   1HG   GLU  57          1HG       GLU  57  -3.129  -2.994  11.294
  234   2HG   GLU  57          2HG       GLU  57  -4.821  -2.951  10.811
  235    H    GLU  58           H        GLU  58  -1.211  -2.145  11.249
  236    HA   GLU  58           HA       GLU  58  -1.006   0.645  11.201
  237   1HB   GLU  58          1HB       GLU  58   0.362   0.429  13.219
  238   2HB   GLU  58          2HB       GLU  58  -1.046  -0.634  13.254
  239   1HG   GLU  58          1HG       GLU  58   0.508  -2.533  12.517
  240   2HG   GLU  58          2HG       GLU  58   1.856  -1.419  12.802
  241    H    GLU  59           H        GLU  59   1.519  -1.764  10.402
  242    HA   GLU  59           HA       GLU  59   3.645   0.120  10.055
  243   1HB   GLU  59          1HB       GLU  59   3.298  -2.633   8.792
  244   2HB   GLU  59          2HB       GLU  59   4.806  -1.781   9.018
  245   1HG   GLU  59          1HG       GLU  59   4.524  -1.869  11.486
  246   2HG   GLU  59          2HG       GLU  59   3.037  -2.812  11.277
  247    H    ILE  60           H        ILE  60   1.458  -1.558   7.779
  248    HA   ILE  60           HA       ILE  60   2.614  -0.416   5.412
  249    HB   ILE  60           HB       ILE  60  -0.197  -1.469   5.829
  250   1HG1  ILE  60          1HG1      ILE  60   2.284  -2.914   4.790
  251   2HG1  ILE  60          2HG1      ILE  60   1.655  -3.083   6.427
  252   1HG2  ILE  60          1HG2      ILE  60   0.932  -1.892   3.154
  253   2HG2  ILE  60          2HG2      ILE  60  -0.597  -1.148   3.633
  254   3HG2  ILE  60          3HG2      ILE  60   0.884  -0.180   3.542
  255   1HD1  ILE  60          1HD1      ILE  60   0.893  -4.944   5.246
  256   2HD1  ILE  60          2HD1      ILE  60  -0.518  -3.901   5.502
  257   3HD1  ILE  60          3HD1      ILE  60   0.276  -3.969   3.905
  258    H    LEU  61           H        LEU  61  -0.195   0.496   7.397
  259    HA   LEU  61           HA       LEU  61  -1.088   2.795   6.095
  260   1HB   LEU  61          1HB       LEU  61  -2.118   1.662   8.070
  261   2HB   LEU  61          2HB       LEU  61  -0.857   2.296   9.102
  262    HG   LEU  61           HG       LEU  61  -1.577   4.618   8.549
  263   1HD1  LEU  61          1HD1      LEU  61  -3.867   4.879   7.511
  264   2HD1  LEU  61          2HD1      LEU  61  -2.648   4.279   6.383
  265   3HD1  LEU  61          3HD1      LEU  61  -3.808   3.150   7.101
  266   1HD2  LEU  61          1HD2      LEU  61  -3.631   4.564   9.904
  267   2HD2  LEU  61          2HD2      LEU  61  -3.757   2.809   9.659
  268   3HD2  LEU  61          3HD2      LEU  61  -2.392   3.488  10.575
  269    H    ASP  62           H        ASP  62   1.383   2.487   8.710
  270    HA   ASP  62           HA       ASP  62   2.019   5.232   8.796
  271   1HB   ASP  62          1HB       ASP  62   2.793   3.561  10.477
  272   2HB   ASP  62          2HB       ASP  62   3.948   2.927   9.294
  273    H    ILE  63           H        ILE  63   3.375   2.588   6.803
  274    HA   ILE  63           HA       ILE  63   5.390   4.249   5.569
  275    HB   ILE  63           HB       ILE  63   4.140   1.567   4.954
  276   1HG1  ILE  63          1HG1      ILE  63   6.890   1.391   4.508
  277   2HG1  ILE  63          2HG1      ILE  63   6.811   2.581   5.799
  278   1HG2  ILE  63          1HG2      ILE  63   5.484   1.413   2.852
  279   2HG2  ILE  63          2HG2      ILE  63   4.056   2.416   2.740
  280   3HG2  ILE  63          3HG2      ILE  63   5.678   3.164   2.882
  281   1HD1  ILE  63          1HD1      ILE  63   7.065   0.187   6.500
  282   2HD1  ILE  63          2HD1      ILE  63   5.687   1.014   7.234
  283   3HD1  ILE  63          3HD1      ILE  63   5.433  -0.135   5.888
  284    H    ILE  64           H        ILE  64   2.038   3.477   4.555
  285    HA   ILE  64           HA       ILE  64   2.136   4.898   2.088
  286    HB   ILE  64           HB       ILE  64  -0.151   4.328   4.005
  287   1HG1  ILE  64          1HG1      ILE  64   0.356   2.991   1.341
  288   2HG1  ILE  64          2HG1      ILE  64   1.279   2.450   2.742
  289   1HG2  ILE  64          1HG2      ILE  64  -0.865   6.170   2.596
  290   2HG2  ILE  64          2HG2      ILE  64  -0.209   5.380   1.148
  291   3HG2  ILE  64          3HG2      ILE  64  -1.618   4.696   1.987
  292   1HD1  ILE  64          1HD1      ILE  64  -1.754   2.548   2.628
  293   2HD1  ILE  64          2HD1      ILE  64  -0.725   1.101   2.513
  294   3HD1  ILE  64          3HD1      ILE  64  -0.792   2.024   4.009
  295    H    LEU  65           H        LEU  65   1.182   5.956   5.366
  296    HA   LEU  65           HA       LEU  65   0.594   8.665   4.609
  297   1HB   LEU  65          1HB       LEU  65   1.250   7.344   7.257
  298   2HB   LEU  65          2HB       LEU  65   0.709   9.017   7.102
  299    HG   LEU  65           HG       LEU  65  -1.016   6.643   6.182
  300   1HD1  LEU  65          1HD1      LEU  65  -1.131   8.294   8.756
  301   2HD1  LEU  65          2HD1      LEU  65  -2.225   6.978   8.286
  302   3HD1  LEU  65          3HD1      LEU  65  -0.523   6.633   8.664
  303   1HD2  LEU  65          1HD2      LEU  65  -1.579   9.588   6.630
  304   2HD2  LEU  65          2HD2      LEU  65  -1.574   8.683   5.091
  305   3HD2  LEU  65          3HD2      LEU  65  -2.801   8.336   6.323
  306    H    ASN  66           H        ASN  66   3.571   7.065   5.607
  307    HA   ASN  66           HA       ASN  66   4.996   9.619   6.106
  308   1HB   ASN  66          1HB       ASN  66   5.627   6.695   6.712
  309   2HB   ASN  66          2HB       ASN  66   6.809   7.949   6.854
  310   1HD2  ASN  66          1HD2      ASN  66   3.596   7.063   7.964
  311   2HD2  ASN  66          2HD2      ASN  66   3.951   7.357   9.630
  312    H    GLY  67           H        GLY  67   5.660   6.508   4.417
  313   1HA   GLY  67          1HA       GLY  67   6.565   6.811   2.049
  314   2HA   GLY  67          2HA       GLY  67   7.843   7.756   2.846
  315    H    GLN  68           H        GLN  68   9.040   5.967   1.732
  316    HA   GLN  68           HA       GLN  68  10.094   4.227   3.716
  317   1HB   GLN  68          1HB       GLN  68   8.471   2.486   2.676
  318   2HB   GLN  68          2HB       GLN  68   9.018   3.027   1.107
  319   1HG   GLN  68          1HG       GLN  68   9.856   0.887   1.870
  320   2HG   GLN  68          2HG       GLN  68  11.152   2.007   1.409
  321   1HE2  GLN  68          1HE2      GLN  68  10.640  -0.508   3.286
  322   2HE2  GLN  68          2HE2      GLN  68  11.543  -0.023   4.720
  323    H    GLY  69           H        GLY  69  12.331   3.587   2.766
  324   1HA   GLY  69          1HA       GLY  69  14.047   5.303   2.024
  325   2HA   GLY  69          2HA       GLY  69  14.069   3.790   1.121
  326    H    GLY  70           H        GLY  70  13.081   3.799  -1.140
  327   1HA   GLY  70          1HA       GLY  70  13.323   6.441  -2.425
  328   2HA   GLY  70          2HA       GLY  70  13.240   4.849  -3.168
  329    H    MET  71           H        MET  71  10.821   5.745  -0.760
  330    HA   MET  71           HA       MET  71   8.751   5.846  -2.902
  331   1HB   MET  71          1HB       MET  71   8.671   3.905  -1.400
  332   2HB   MET  71          2HB       MET  71   8.591   4.965  -0.016
  333   1HG   MET  71          1HG       MET  71   6.482   5.830  -0.584
  334   2HG   MET  71          2HG       MET  71   6.449   5.038  -2.158
  335   1HE   MET  71          1HE       MET  71   3.937   4.762  -0.730
  336   2HE   MET  71          2HE       MET  71   3.752   3.562   0.567
  337   3HE   MET  71          3HE       MET  71   4.611   5.081   0.888
  338    HA   PRO  72           HA       PRO  72   8.637  10.097  -1.570
  339   1HB   PRO  72          1HB       PRO  72   6.202  10.931  -2.616
  340   2HB   PRO  72          2HB       PRO  72   7.692  10.687  -3.571
  341   1HG   PRO  72          1HG       PRO  72   5.416   8.730  -3.176
  342   2HG   PRO  72          2HG       PRO  72   6.203   9.200  -4.711
  343   1HD   PRO  72          1HD       PRO  72   6.909   6.939  -3.464
  344   2HD   PRO  72          2HD       PRO  72   8.199   7.994  -4.131
  345    H    GLY  73           H        GLY  73   5.703   8.180  -1.008
  346   1HA   GLY  73          1HA       GLY  73   4.599   7.828   1.007
  347   2HA   GLY  73          2HA       GLY  73   5.678   8.994   1.794
  348    H    GLY  74           H        GLY  74   2.939   8.846   2.266
  349   1HA   GLY  74          1HA       GLY  74   1.089  10.124   2.462
  350   2HA   GLY  74          2HA       GLY  74   2.028  11.552   1.944
  351    H    ILE  75           H        ILE  75   1.845   8.652  -0.012
  352    HA   ILE  75           HA       ILE  75   0.695   9.984  -2.280
  353    HB   ILE  75           HB       ILE  75   1.329   7.121  -1.518
  354   1HG1  ILE  75          1HG1      ILE  75   3.087   8.772  -2.282
  355   2HG1  ILE  75          2HG1      ILE  75   2.987   7.245  -3.179
  356   1HG2  ILE  75          1HG2      ILE  75  -0.134   7.947  -4.035
  357   2HG2  ILE  75          2HG2      ILE  75   0.730   6.413  -3.829
  358   3HG2  ILE  75          3HG2      ILE  75  -0.661   6.780  -2.802
  359   1HD1  ILE  75          1HD1      ILE  75   1.814   9.877  -4.180
  360   2HD1  ILE  75          2HD1      ILE  75   3.379   9.201  -4.646
  361   3HD1  ILE  75          3HD1      ILE  75   1.899   8.335  -5.061
  362    H    ALA  76           H        ALA  76  -0.635   8.189   0.474
  363    HA   ALA  76           HA       ALA  76  -3.286   9.043  -0.382
  364   1HB   ALA  76          1HB       ALA  76  -2.479   6.210   0.421
  365   2HB   ALA  76          2HB       ALA  76  -4.133   6.788   0.620
  366   3HB   ALA  76          3HB       ALA  76  -3.406   6.711  -1.004
  367    H    LYS  77           H        LYS  77  -4.616   9.597   1.428
  368    HA   LYS  77           HA       LYS  77  -3.383   9.348   4.105
  369   1HB   LYS  77          1HB       LYS  77  -3.359  11.829   2.495
  370   2HB   LYS  77          2HB       LYS  77  -4.006  12.056   4.120
  371   1HG   LYS  77          1HG       LYS  77  -2.040  11.368   5.181
  372   2HG   LYS  77          2HG       LYS  77  -1.425  10.525   3.750
  373   1HD   LYS  77          1HD       LYS  77  -1.046  12.590   2.571
  374   2HD   LYS  77          2HD       LYS  77  -1.599  13.551   3.948
  375   1HE   LYS  77          1HE       LYS  77   0.709  11.525   4.087
  376   2HE   LYS  77          2HE       LYS  77   0.962  13.218   3.654
  377   1HZ   LYS  77          1HZ       LYS  77   1.387  12.718   5.949
  378   2HZ   LYS  77          2HZ       LYS  77   0.176  13.828   5.813
  379   3HZ   LYS  77          3HZ       LYS  77  -0.166  12.258   6.200
  380    H    GLY  78           H        GLY  78  -4.623   9.799   5.899
  381   1HA   GLY  78          1HA       GLY  78  -6.530   9.598   7.141
  382   2HA   GLY  78          2HA       GLY  78  -7.382  10.460   5.848
  383    H    ALA  79           H        ALA  79  -9.199   9.214   5.697
  384    HA   ALA  79           HA       ALA  79  -9.597   6.527   5.984
  385   1HB   ALA  79          1HB       ALA  79 -11.600   6.811   4.590
  386   2HB   ALA  79          2HB       ALA  79 -11.393   8.169   5.713
  387   3HB   ALA  79          3HB       ALA  79 -10.981   8.366   3.992
  388    H    GLU  80           H        GLU  80  -8.264   8.160   3.149
  389    HA   GLU  80           HA       GLU  80  -8.362   6.065   1.241
  390   1HB   GLU  80          1HB       GLU  80  -7.717   8.615   1.096
  391   2HB   GLU  80          2HB       GLU  80  -6.134   8.063   1.636
  392   1HG   GLU  80          1HG       GLU  80  -6.095   6.592  -0.462
  393   2HG   GLU  80          2HG       GLU  80  -7.553   7.453  -0.976
  394    H    ALA  81           H        ALA  81  -5.784   6.949   3.668
  395    HA   ALA  81           HA       ALA  81  -4.092   4.764   2.840
  396   1HB   ALA  81          1HB       ALA  81  -3.957   6.479   5.346
  397   2HB   ALA  81          2HB       ALA  81  -2.643   5.542   4.585
  398   3HB   ALA  81          3HB       ALA  81  -3.304   6.955   3.764
  399    H    GLU  82           H        GLU  82  -6.435   5.393   5.494
  400    HA   GLU  82           HA       GLU  82  -6.024   2.985   6.981
  401   1HB   GLU  82          1HB       GLU  82  -8.527   4.638   6.494
  402   2HB   GLU  82          2HB       GLU  82  -8.452   3.268   7.598
  403   1HG   GLU  82          1HG       GLU  82  -6.673   4.355   8.904
  404   2HG   GLU  82          2HG       GLU  82  -6.720   5.764   7.827
  405    H    ALA  83           H        ALA  83  -8.301   3.667   4.301
  406    HA   ALA  83           HA       ALA  83  -9.386   1.105   4.023
  407   1HB   ALA  83          1HB       ALA  83 -10.284   3.082   2.884
  408   2HB   ALA  83          2HB       ALA  83  -8.846   3.173   1.843
  409   3HB   ALA  83          3HB       ALA  83  -9.943   1.787   1.730
  410    H    VAL  84           H        VAL  84  -6.531   2.520   2.276
  411    HA   VAL  84           HA       VAL  84  -5.745   0.187   0.931
  412    HB   VAL  84           HB       VAL  84  -3.939   2.287   2.198
  413   1HG1  VAL  84          1HG1      VAL  84  -3.348  -0.007   0.275
  414   2HG1  VAL  84          2HG1      VAL  84  -2.243   1.341   0.612
  415   3HG1  VAL  84          3HG1      VAL  84  -2.650   0.197   1.882
  416   1HG2  VAL  84          1HG2      VAL  84  -3.559   2.960  -0.168
  417   2HG2  VAL  84          2HG2      VAL  84  -4.890   1.886  -0.654
  418   3HG2  VAL  84          3HG2      VAL  84  -5.215   3.277   0.387
  419    H    ALA  85           H        ALA  85  -4.480   1.242   4.149
  420    HA   ALA  85           HA       ALA  85  -2.810  -0.953   4.594
  421   1HB   ALA  85          1HB       ALA  85  -2.775   1.119   5.871
  422   2HB   ALA  85          2HB       ALA  85  -4.333   0.719   6.633
  423   3HB   ALA  85          3HB       ALA  85  -2.908  -0.298   6.940
  424    H    ALA  86           H        ALA  86  -6.224  -0.544   5.669
  425    HA   ALA  86           HA       ALA  86  -6.468  -3.038   7.005
  426   1HB   ALA  86          1HB       ALA  86  -8.093  -1.213   7.239
  427   2HB   ALA  86          2HB       ALA  86  -8.574  -1.387   5.538
  428   3HB   ALA  86          3HB       ALA  86  -8.899  -2.699   6.693
  429    H    TRP  87           H        TRP  87  -7.384  -2.136   3.633
  430    HA   TRP  87           HA       TRP  87  -8.197  -4.704   2.752
  431   1HB   TRP  87          1HB       TRP  87  -8.747  -2.787   1.518
  432   2HB   TRP  87          2HB       TRP  87  -7.053  -2.257   1.472
  433    HD1  TRP  87           HD       TRP  87  -9.282  -4.804  -0.329
  434    HE1  TRP  87           1HE      TRP  87  -7.958  -5.748  -2.331
  435    HE3  TRP  87           3HE      TRP  87  -5.078  -1.910   0.028
  436    HZ2  TRP  87           2HZ      TRP  87  -4.772  -5.169  -2.912
  437    HZ3  TRP  87           3HZ      TRP  87  -3.562  -1.834  -1.906
  438    HH2  TRP  87           HH       TRP  87  -3.919  -3.220  -3.890
  439    H    LEU  88           H        LEU  88  -4.969  -3.197   2.805
  440    HA   LEU  88           HA       LEU  88  -3.639  -5.299   1.395
  441   1HB   LEU  88          1HB       LEU  88  -2.967  -2.733   2.436
  442   2HB   LEU  88          2HB       LEU  88  -1.904  -3.851   3.244
  443    HG   LEU  88           HG       LEU  88  -1.131  -2.825   1.075
  444   1HD1  LEU  88          1HD1      LEU  88   0.110  -4.560   0.449
  445   2HD1  LEU  88          2HD1      LEU  88  -0.373  -5.182   2.040
  446   3HD1  LEU  88          3HD1      LEU  88  -1.185  -5.786   0.574
  447   1HD2  LEU  88          1HD2      LEU  88  -2.887  -2.598  -0.058
  448   2HD2  LEU  88          2HD2      LEU  88  -1.695  -3.482  -1.029
  449   3HD2  LEU  88          3HD2      LEU  88  -3.131  -4.344  -0.426
  450    H    ALA  89           H        ALA  89  -3.957  -4.605   4.864
  451    HA   ALA  89           HA       ALA  89  -2.605  -6.908   5.866
  452   1HB   ALA  89          1HB       ALA  89  -4.886  -5.309   7.064
  453   2HB   ALA  89          2HB       ALA  89  -3.908  -6.521   7.917
  454   3HB   ALA  89          3HB       ALA  89  -3.134  -5.058   7.286
  455    H    GLU  90           H        GLU  90  -5.952  -6.396   4.770
  456    HA   GLU  90           HA       GLU  90  -6.902  -9.033   5.416
  457   1HB   GLU  90          1HB       GLU  90  -8.250  -6.908   5.102
  458   2HB   GLU  90          2HB       GLU  90  -7.888  -7.012   3.382
  459   1HG   GLU  90          1HG       GLU  90  -8.988  -9.505   3.796
  460   2HG   GLU  90          2HG       GLU  90  -9.857  -8.537   4.987
  461    H    LYS  91           H        LYS  91  -4.881  -7.801   2.767
  462    HA   LYS  91           HA       LYS  91  -6.035  -9.279   0.653
  463   1HB   LYS  91          1HB       LYS  91  -4.541  -7.193   0.699
  464   2HB   LYS  91          2HB       LYS  91  -3.169  -8.263   0.917
  465   1HG   LYS  91          1HG       LYS  91  -5.071  -8.148  -1.474
  466   2HG   LYS  91          2HG       LYS  91  -3.423  -7.501  -1.356
  467   1HD   LYS  91          1HD       LYS  91  -2.894 -10.013  -0.584
  468   2HD   LYS  91          2HD       LYS  91  -4.322 -10.383  -1.591
  469   1HE   LYS  91          1HE       LYS  91  -2.012  -8.716  -2.556
  470   2HE   LYS  91          2HE       LYS  91  -1.831 -10.464  -2.350
  471   1HZ   LYS  91          1HZ       LYS  91  -3.723 -10.716  -3.895
  472   2HZ   LYS  91          2HZ       LYS  91  -3.850  -9.084  -4.057
  473   3HZ   LYS  91          3HZ       LYS  91  -2.518  -9.864  -4.625
  474    H    LYS  92           H        LYS  92  -3.755 -10.063   3.090
  475    HA   LYS  92           HA       LYS  92  -1.753 -11.266   1.735
  476   1HB   LYS  92          1HB       LYS  92  -0.926 -11.785   3.820
  477   2HB   LYS  92          2HB       LYS  92  -1.697 -10.195   3.718
  478   1HG   LYS  92          1HG       LYS  92  -3.808 -11.326   4.799
  479   2HG   LYS  92          2HG       LYS  92  -2.820 -12.754   5.070
  480   1HD   LYS  92          1HD       LYS  92  -1.388 -11.534   6.607
  481   2HD   LYS  92          2HD       LYS  92  -2.160 -10.008   6.127
  482   1HE   LYS  92          1HE       LYS  92  -4.344 -10.917   7.058
  483   2HE   LYS  92          2HE       LYS  92  -3.423 -12.259   7.739
  484   1HZ   LYS  92          1HZ       LYS  92  -2.146 -10.648   8.993
  485   2HZ   LYS  92          2HZ       LYS  92  -2.907  -9.394   8.254
  486   3HZ   LYS  92          3HZ       LYS  92  -3.750 -10.374   9.266
  487    HHA  HEC  93           HHA      HEC  93   8.583  -0.049   0.405
  488    HHB  HEC  93           HHB      HEC  93   2.159   0.005   0.637
  489    HHC  HEC  93           HHC      HEC  93   2.271   4.426  -4.040
  490    HHD  HEC  93           HHD      HEC  93   8.500   3.305  -4.987
  491   1HMA  HEC  93          1HMA      HEC  93   4.553  -1.564   3.347
  492   2HMA  HEC  93          2HMA      HEC  93   3.114  -0.749   2.743
  493   3HMA  HEC  93          3HMA      HEC  93   3.614  -2.307   2.036
  494   1HAA  HEC  93          1HAA      HEC  93   6.790  -1.796   3.052
  495   2HAA  HEC  93          2HAA      HEC  93   7.890  -0.555   2.567
  496   1HBA  HEC  93          1HBA      HEC  93   8.001  -2.038   0.369
  497   2HBA  HEC  93          2HBA      HEC  93   7.343  -3.294   1.392
  498   1HMB  HEC  93          1HMB      HEC  93   0.016   0.891   0.358
  499   2HMB  HEC  93          2HMB      HEC  93  -0.893   1.252  -1.118
  500   3HMB  HEC  93          3HMB      HEC  93   0.162  -0.151  -1.065
  501    HAB  HEC  93           HAB      HEC  93   0.307   4.176  -3.435
  502   1HBB  HEC  93          1HBB      HEC  93  -1.210   3.387  -0.922
  503   2HBB  HEC  93          2HBB      HEC  93  -0.381   4.913  -1.229
  504   3HBB  HEC  93          3HBB      HEC  93  -1.788   4.454  -2.210
  505   1HMC  HEC  93          1HMC      HEC  93   3.042   4.699  -6.546
  506   2HMC  HEC  93          2HMC      HEC  93   3.146   6.120  -5.489
  507   3HMC  HEC  93          3HMC      HEC  93   4.233   5.956  -6.872
  508    HAC  HEC  93           HAC      HEC  93   7.859   4.506  -6.568
  509   1HBC  HEC  93          1HBC      HEC  93   7.437   6.727  -7.618
  510   2HBC  HEC  93          2HBC      HEC  93   6.115   6.972  -6.456
  511   3HBC  HEC  93          3HBC      HEC  93   7.771   6.713  -5.886
  512   1HMD  HEC  93          1HMD      HEC  93  10.154   1.891  -5.082
  513   2HMD  HEC  93          2HMD      HEC  93  11.225   2.686  -3.899
  514   3HMD  HEC  93          3HMD      HEC  93  11.198   0.912  -4.072
  515   1HAD  HEC  93          1HAD      HEC  93  10.880  -0.566  -1.327
  516   2HAD  HEC  93          2HAD      HEC  93  10.498   0.407  -0.043
  517   1HBD  HEC  93          1HBD      HEC  93  12.602   0.992  -0.116
  518   2HBD  HEC  93          2HBD      HEC  93  11.725   2.361  -0.797
  Start of MODEL   16
    1   1H    VAL  22          1H        VAL  22 -14.321   4.028   0.437
    2   2H    VAL  22          2H        VAL  22 -13.090   4.108   1.532
    3   3H    VAL  22          3H        VAL  22 -14.000   5.480   1.205
    4    HA   VAL  22           HA       VAL  22 -13.284   5.302  -1.088
    5    HB   VAL  22           HB       VAL  22 -10.831   5.350   0.729
    6   1HG1  VAL  22          1HG1      VAL  22 -10.427   5.355  -1.725
    7   2HG1  VAL  22          2HG1      VAL  22 -11.531   6.731  -1.910
    8   3HG1  VAL  22          3HG1      VAL  22 -10.017   6.922  -1.014
    9   1HG2  VAL  22          1HG2      VAL  22 -12.424   6.888   1.756
   10   2HG2  VAL  22          2HG2      VAL  22 -11.219   7.821   0.866
   11   3HG2  VAL  22          3HG2      VAL  22 -12.833   7.585   0.169
   12    H    ASP  23           H        ASP  23 -13.054   3.671  -2.425
   13    HA   ASP  23           HA       ASP  23 -12.668   1.033  -1.628
   14   1HB   ASP  23          1HB       ASP  23 -12.662   2.368  -4.357
   15   2HB   ASP  23          2HB       ASP  23 -12.545   0.612  -4.145
   16    H    ALA  24           H        ALA  24 -10.841   0.682  -0.593
   17    HA   ALA  24           HA       ALA  24  -8.375   1.591  -0.815
   18   1HB   ALA  24          1HB       ALA  24  -9.103  -0.005   0.901
   19   2HB   ALA  24          2HB       ALA  24  -9.160  -1.296  -0.304
   20   3HB   ALA  24          3HB       ALA  24  -7.599  -0.554   0.133
   21    H    GLU  25           H        GLU  25  -9.514  -1.282  -2.670
   22    HA   GLU  25           HA       GLU  25  -7.019  -1.605  -4.002
   23   1HB   GLU  25          1HB       GLU  25  -7.898  -3.364  -5.076
   24   2HB   GLU  25          2HB       GLU  25  -9.061  -3.243  -3.751
   25   1HG   GLU  25          1HG       GLU  25 -10.597  -2.020  -5.221
   26   2HG   GLU  25          2HG       GLU  25  -9.438  -2.233  -6.592
   27    H    ALA  26           H        ALA  26  -9.955   0.320  -4.860
   28    HA   ALA  26           HA       ALA  26  -9.118   0.978  -7.500
   29   1HB   ALA  26          1HB       ALA  26 -10.679   2.807  -7.390
   30   2HB   ALA  26          2HB       ALA  26 -11.413   1.399  -6.594
   31   3HB   ALA  26          3HB       ALA  26 -10.744   2.738  -5.627
   32    H    VAL  27           H        VAL  27  -8.406   2.446  -4.339
   33    HA   VAL  27           HA       VAL  27  -6.609   4.575  -5.318
   34    HB   VAL  27           HB       VAL  27  -6.344   2.995  -2.702
   35   1HG1  VAL  27          1HG1      VAL  27  -5.692   5.886  -3.280
   36   2HG1  VAL  27          2HG1      VAL  27  -5.290   4.936  -1.838
   37   3HG1  VAL  27          3HG1      VAL  27  -4.498   4.559  -3.360
   38   1HG2  VAL  27          1HG2      VAL  27  -8.185   5.350  -3.268
   39   2HG2  VAL  27          2HG2      VAL  27  -8.639   3.747  -2.651
   40   3HG2  VAL  27          3HG2      VAL  27  -7.692   4.828  -1.640
   41    H    VAL  28           H        VAL  28  -5.806   1.118  -4.160
   42    HA   VAL  28           HA       VAL  28  -3.158   1.867  -4.779
   43    HB   VAL  28           HB       VAL  28  -4.637  -0.662  -4.123
   44   1HG1  VAL  28          1HG1      VAL  28  -1.785  -0.415  -4.907
   45   2HG1  VAL  28          2HG1      VAL  28  -2.165  -1.545  -3.605
   46   3HG1  VAL  28          3HG1      VAL  28  -2.929  -1.693  -5.205
   47   1HG2  VAL  28          1HG2      VAL  28  -2.758   0.140  -2.110
   48   2HG2  VAL  28          2HG2      VAL  28  -3.559   1.614  -2.643
   49   3HG2  VAL  28          3HG2      VAL  28  -4.529   0.272  -2.092
   50    H    GLN  29           H        GLN  29  -5.448   0.000  -6.562
   51    HA   GLN  29           HA       GLN  29  -4.042  -0.654  -8.927
   52   1HB   GLN  29          1HB       GLN  29  -6.963  -0.169  -8.278
   53   2HB   GLN  29          2HB       GLN  29  -6.487  -0.676  -9.842
   54   1HG   GLN  29          1HG       GLN  29  -7.208  -2.434  -8.035
   55   2HG   GLN  29          2HG       GLN  29  -6.045  -2.801  -9.305
   56   1HE2  GLN  29          1HE2      GLN  29  -3.841  -3.332  -8.744
   57   2HE2  GLN  29          2HE2      GLN  29  -3.376  -3.474  -7.079
   58    H    GLN  30           H        GLN  30  -4.698   2.519  -7.781
   59    HA   GLN  30           HA       GLN  30  -3.659   3.440 -10.389
   60   1HB   GLN  30          1HB       GLN  30  -6.318   3.930  -9.425
   61   2HB   GLN  30          2HB       GLN  30  -5.451   5.435  -9.209
   62   1HG   GLN  30          1HG       GLN  30  -4.681   5.363 -11.583
   63   2HG   GLN  30          2HG       GLN  30  -5.406   3.759 -11.786
   64   1HE2  GLN  30          1HE2      GLN  30  -6.565   6.947 -10.509
   65   2HE2  GLN  30          2HE2      GLN  30  -8.021   6.937 -11.496
   66    H    LYS  31           H        LYS  31  -2.994   3.300  -7.174
   67    HA   LYS  31           HA       LYS  31  -1.474   5.885  -7.199
   68   1HB   LYS  31          1HB       LYS  31  -3.017   4.440  -5.020
   69   2HB   LYS  31          2HB       LYS  31  -1.932   5.709  -4.654
   70   1HG   LYS  31          1HG       LYS  31  -4.350   6.111  -6.417
   71   2HG   LYS  31          2HG       LYS  31  -4.147   6.573  -4.722
   72   1HD   LYS  31          1HD       LYS  31  -1.989   7.832  -5.589
   73   2HD   LYS  31          2HD       LYS  31  -2.842   7.784  -7.147
   74   1HE   LYS  31          1HE       LYS  31  -4.810   8.889  -6.052
   75   2HE   LYS  31          2HE       LYS  31  -3.952   8.880  -4.496
   76   1HZ   LYS  31          1HZ       LYS  31  -2.326  10.323  -5.383
   77   2HZ   LYS  31          2HZ       LYS  31  -3.028  10.327  -6.881
   78   3HZ   LYS  31          3HZ       LYS  31  -3.812  10.988  -5.591
   79    H    CYS  32           H        CYS  32  -1.329   2.407  -6.471
   80    HA   CYS  32           HA       CYS  32   1.504   2.802  -5.581
   81   1HB   CYS  32          1HB       CYS  32   0.127   0.236  -5.156
   82   2HB   CYS  32          2HB       CYS  32   1.339   0.993  -4.183
   83    H    ILE  33           H        ILE  33  -0.658   0.927  -7.731
   84    HA   ILE  33           HA       ILE  33   1.211  -0.858  -8.702
   85    HB   ILE  33           HB       ILE  33  -0.073  -1.016 -10.736
   86   1HG1  ILE  33          1HG1      ILE  33  -1.902   1.224  -9.824
   87   2HG1  ILE  33          2HG1      ILE  33  -0.589   1.491 -10.972
   88   1HG2  ILE  33          1HG2      ILE  33  -0.828  -2.140  -8.662
   89   2HG2  ILE  33          2HG2      ILE  33  -1.855  -0.773  -8.283
   90   3HG2  ILE  33          3HG2      ILE  33  -2.180  -1.753  -9.721
   91   1HD1  ILE  33          1HD1      ILE  33  -2.867  -0.453 -11.432
   92   2HD1  ILE  33          2HD1      ILE  33  -2.598   1.111 -12.221
   93   3HD1  ILE  33          3HD1      ILE  33  -1.463  -0.219 -12.494
   94    H    SER  34           H        SER  34   0.945   2.562  -9.455
   95    HA   SER  34           HA       SER  34   2.441   3.067 -11.616
   96   1HB   SER  34          1HB       SER  34   2.864   4.398  -8.919
   97   2HB   SER  34          2HB       SER  34   2.904   5.156 -10.520
   98    HG   SER  34           HG       SER  34   0.655   4.740 -10.671
   99    H    CYS  35           H        CYS  35   3.717   1.893  -8.479
  100    HA   CYS  35           HA       CYS  35   6.396   1.549  -9.762
  101   1HB   CYS  35          1HB       CYS  35   6.121   2.089  -6.801
  102   2HB   CYS  35          2HB       CYS  35   7.529   2.218  -7.832
  103    H    HIS  36           H        HIS  36   4.007   0.292  -7.392
  104    HA   HIS  36           HA       HIS  36   5.558  -2.124  -6.940
  105   1HB   HIS  36          1HB       HIS  36   2.760  -1.299  -6.103
  106   2HB   HIS  36          2HB       HIS  36   3.553  -2.803  -5.649
  107    HD1  HIS  36           1HD      HIS  36   5.793  -2.651  -4.099
  108    HD2  HIS  36           2HD      HIS  36   3.570   0.902  -4.665
  109    HE1  HIS  36           1HE      HIS  36   6.488  -1.029  -2.265
  110    H    GLY  37           H        GLY  37   3.535  -1.203  -9.566
  111   1HA   GLY  37          1HA       GLY  37   3.143  -2.441 -11.452
  112   2HA   GLY  37          2HA       GLY  37   3.683  -3.927 -10.652
  113    H    GLY  38           H        GLY  38   1.334  -3.699 -12.272
  114   1HA   GLY  38          1HA       GLY  38  -1.110  -3.090 -11.324
  115   2HA   GLY  38          2HA       GLY  38  -0.805  -4.533 -12.285
  116    H    ASP  39           H        ASP  39   0.263  -6.362 -10.857
  117    HA   ASP  39           HA       ASP  39  -1.710  -7.117  -8.891
  118   1HB   ASP  39          1HB       ASP  39   0.769  -8.520  -9.965
  119   2HB   ASP  39          2HB       ASP  39  -0.477  -9.264  -8.949
  120    H    LEU  40           H        LEU  40   0.888  -5.125  -8.447
  121    HA   LEU  40           HA       LEU  40   2.076  -4.430  -6.670
  122   1HB   LEU  40          1HB       LEU  40   0.259  -6.139  -4.965
  123   2HB   LEU  40          2HB       LEU  40   1.170  -4.717  -4.476
  124    HG   LEU  40           HG       LEU  40  -0.924  -4.527  -6.690
  125   1HD1  LEU  40          1HD1      LEU  40  -1.495  -4.179  -3.744
  126   2HD1  LEU  40          2HD1      LEU  40  -2.601  -4.010  -5.135
  127   3HD1  LEU  40          3HD1      LEU  40  -1.960  -5.594  -4.716
  128   1HD2  LEU  40          1HD2      LEU  40   0.029  -2.430  -4.733
  129   2HD2  LEU  40          2HD2      LEU  40   0.732  -2.660  -6.347
  130   3HD2  LEU  40          3HD2      LEU  40  -0.963  -2.229  -6.197
  131    H    THR  41           H        THR  41   2.705  -6.983  -8.093
  132    HA   THR  41           HA       THR  41   4.171  -8.708  -6.332
  133    HB   THR  41           HB       THR  41   4.898  -9.483  -8.733
  134    HG1  THR  41           1HG      THR  41   4.412  -7.611  -9.867
  135   1HG2  THR  41          1HG2      THR  41   2.637 -10.442  -9.184
  136   2HG2  THR  41          2HG2      THR  41   3.129 -10.640  -7.489
  137   3HG2  THR  41          3HG2      THR  41   1.948  -9.393  -7.931
  138    H    GLY  42           H        GLY  42   4.804  -5.555  -7.551
  139   1HA   GLY  42          1HA       GLY  42   6.620  -4.354  -6.866
  140   2HA   GLY  42          2HA       GLY  42   7.621  -5.805  -6.705
  141    H    ALA  43           H        ALA  43   7.112  -3.098  -8.644
  142    HA   ALA  43           HA       ALA  43   8.514  -4.381 -10.971
  143   1HB   ALA  43          1HB       ALA  43   7.563  -2.547 -12.338
  144   2HB   ALA  43          2HB       ALA  43   6.343  -3.661 -11.690
  145   3HB   ALA  43          3HB       ALA  43   6.544  -2.061 -10.967
  146    H    SER  44           H        SER  44   8.060  -1.008  -9.896
  147    HA   SER  44           HA       SER  44  11.002  -0.562  -9.940
  148   1HB   SER  44          1HB       SER  44   8.708   1.409  -9.676
  149   2HB   SER  44          2HB       SER  44  10.421   1.793  -9.898
  150    HG   SER  44           HG       SER  44   9.228   1.824 -11.884
  151    H    ALA  45           H        ALA  45   8.866  -1.741  -7.765
  152    HA   ALA  45           HA       ALA  45  10.171  -0.650  -5.354
  153   1HB   ALA  45          1HB       ALA  45   7.164  -0.753  -5.878
  154   2HB   ALA  45          2HB       ALA  45   7.952  -0.268  -4.365
  155   3HB   ALA  45          3HB       ALA  45   8.125   0.729  -5.817
  156    HA   PRO  46           HA       PRO  46   9.956  -4.993  -4.550
  157   1HB   PRO  46          1HB       PRO  46   9.414  -5.196  -1.830
  158   2HB   PRO  46          2HB       PRO  46  10.995  -4.732  -2.521
  159   1HG   PRO  46          1HG       PRO  46   8.806  -2.917  -1.505
  160   2HG   PRO  46          2HG       PRO  46  10.560  -2.842  -1.158
  161   1HD   PRO  46          1HD       PRO  46   9.404  -1.257  -3.032
  162   2HD   PRO  46          2HD       PRO  46  11.022  -1.953  -3.322
  163    H    ALA  47           H        ALA  47   8.543  -6.775  -3.842
  164    HA   ALA  47           HA       ALA  47   5.836  -6.453  -4.706
  165   1HB   ALA  47          1HB       ALA  47   5.598  -8.793  -4.040
  166   2HB   ALA  47          2HB       ALA  47   7.189  -8.606  -4.811
  167   3HB   ALA  47          3HB       ALA  47   7.071  -8.713  -3.052
  168    H    ILE  48           H        ILE  48   4.174  -5.613  -3.524
  169    HA   ILE  48           HA       ILE  48   4.336  -5.908  -0.560
  170    HB   ILE  48           HB       ILE  48   3.268  -3.820  -0.133
  171   1HG1  ILE  48          1HG1      ILE  48   3.338  -2.024  -1.914
  172   2HG1  ILE  48          2HG1      ILE  48   3.410  -3.319  -3.110
  173   1HG2  ILE  48          1HG2      ILE  48   5.724  -4.027  -0.147
  174   2HG2  ILE  48          2HG2      ILE  48   5.749  -3.516  -1.847
  175   3HG2  ILE  48          3HG2      ILE  48   5.189  -2.403  -0.594
  176   1HD1  ILE  48          1HD1      ILE  48   1.226  -2.897  -0.987
  177   2HD1  ILE  48          2HD1      ILE  48   1.107  -2.366  -2.670
  178   3HD1  ILE  48          3HD1      ILE  48   1.154  -4.095  -2.294
  179    H    ASP  49           H        ASP  49   2.751  -7.032  -3.236
  180    HA   ASP  49           HA       ASP  49   0.108  -7.225  -2.445
  181   1HB   ASP  49          1HB       ASP  49  -0.041  -9.166  -3.739
  182   2HB   ASP  49          2HB       ASP  49   1.226  -8.223  -4.514
  183    H    LYS  50           H        LYS  50   2.871  -9.003  -1.129
  184    HA   LYS  50           HA       LYS  50   1.170 -10.299   0.952
  185   1HB   LYS  50          1HB       LYS  50   3.831 -10.958  -0.256
  186   2HB   LYS  50          2HB       LYS  50   3.628 -11.335   1.450
  187   1HG   LYS  50          1HG       LYS  50   2.961 -13.269   0.222
  188   2HG   LYS  50          2HG       LYS  50   1.509 -12.575   0.971
  189   1HD   LYS  50          1HD       LYS  50   0.993 -11.403  -1.190
  190   2HD   LYS  50          2HD       LYS  50   2.501 -12.061  -1.847
  191   1HE   LYS  50          1HE       LYS  50   1.245 -14.388  -1.232
  192   2HE   LYS  50          2HE       LYS  50  -0.177 -13.333  -1.349
  193   1HZ   LYS  50          1HZ       LYS  50   1.859 -13.826  -3.415
  194   2HZ   LYS  50          2HZ       LYS  50   0.233 -14.124  -3.527
  195   3HZ   LYS  50          3HZ       LYS  50   0.842 -12.572  -3.511
  196    H    ALA  51           H        ALA  51   2.431  -7.333   0.794
  197    HA   ALA  51           HA       ALA  51   3.994  -7.144   3.149
  198   1HB   ALA  51          1HB       ALA  51   3.433  -4.790   3.136
  199   2HB   ALA  51          2HB       ALA  51   3.829  -5.388   1.510
  200   3HB   ALA  51          3HB       ALA  51   2.137  -5.075   1.954
  201    H    GLY  52           H        GLY  52   0.460  -7.644   2.760
  202   1HA   GLY  52          1HA       GLY  52  -0.208  -7.045   5.481
  203   2HA   GLY  52          2HA       GLY  52  -1.103  -8.087   4.352
  204    H    ALA  53           H        ALA  53   1.141  -9.941   3.900
  205    HA   ALA  53           HA       ALA  53   0.797 -11.649   6.259
  206   1HB   ALA  53          1HB       ALA  53   2.525 -12.004   3.770
  207   2HB   ALA  53          2HB       ALA  53   2.205 -13.220   5.017
  208   3HB   ALA  53          3HB       ALA  53   0.879 -12.635   3.996
  209    H    ASN  54           H        ASN  54   3.351  -9.724   4.699
  210    HA   ASN  54           HA       ASN  54   5.435 -10.555   6.506
  211   1HB   ASN  54          1HB       ASN  54   5.342  -8.086   4.732
  212   2HB   ASN  54          2HB       ASN  54   6.782  -8.812   5.447
  213   1HD2  ASN  54          1HD2      ASN  54   6.167  -8.324   2.569
  214   2HD2  ASN  54          2HD2      ASN  54   6.273  -9.907   1.823
  215    H    TYR  55           H        TYR  55   3.309  -7.708   6.363
  216    HA   TYR  55           HA       TYR  55   4.350  -6.628   8.946
  217   1HB   TYR  55          1HB       TYR  55   3.587  -4.993   6.508
  218   2HB   TYR  55          2HB       TYR  55   4.273  -4.412   8.019
  219    HD1  TYR  55           1HD      TYR  55   5.179  -4.004   5.032
  220    HD2  TYR  55           2HD      TYR  55   6.580  -6.369   8.353
  221    HE1  TYR  55           1HE      TYR  55   7.471  -4.028   4.070
  222    HE2  TYR  55           2HE      TYR  55   8.814  -6.497   7.326
  223    HH   TYR  55           HH       TYR  55  10.172  -5.772   5.601
  224    H    SER  56           H        SER  56   2.733  -5.114   9.894
  225    HA   SER  56           HA       SER  56  -0.009  -6.188   9.451
  226   1HB   SER  56          1HB       SER  56   1.460  -5.904  11.762
  227   2HB   SER  56          2HB       SER  56   0.493  -4.428  11.786
  228    HG   SER  56           HG       SER  56  -0.401  -7.117  11.541
  229    H    GLU  57           H        GLU  57  -1.829  -4.606   9.966
  230    HA   GLU  57           HA       GLU  57  -1.888  -2.809   7.818
  231   1HB   GLU  57          1HB       GLU  57  -4.063  -2.178   8.491
  232   2HB   GLU  57          2HB       GLU  57  -3.895  -3.879   8.830
  233   1HG   GLU  57          1HG       GLU  57  -4.867  -3.362  10.760
  234   2HG   GLU  57          2HG       GLU  57  -3.245  -2.924  11.298
  235    H    GLU  58           H        GLU  58  -1.345  -2.082  11.284
  236    HA   GLU  58           HA       GLU  58  -1.057   0.654  11.156
  237   1HB   GLU  58          1HB       GLU  58   0.596   0.326  13.078
  238   2HB   GLU  58          2HB       GLU  58  -1.048  -0.282  13.278
  239   1HG   GLU  58          1HG       GLU  58  -0.365  -2.573  12.952
  240   2HG   GLU  58          2HG       GLU  58   1.281  -2.086  12.496
  241    H    GLU  59           H        GLU  59   1.553  -1.732  10.533
  242    HA   GLU  59           HA       GLU  59   3.644   0.151  10.093
  243   1HB   GLU  59          1HB       GLU  59   3.190  -2.675   9.035
  244   2HB   GLU  59          2HB       GLU  59   4.722  -1.812   8.903
  245   1HG   GLU  59          1HG       GLU  59   4.922  -1.699  11.347
  246   2HG   GLU  59          2HG       GLU  59   3.355  -2.495  11.545
  247    H    ILE  60           H        ILE  60   1.363  -1.474   7.903
  248    HA   ILE  60           HA       ILE  60   2.514  -0.433   5.479
  249    HB   ILE  60           HB       ILE  60  -0.257  -1.529   6.026
  250   1HG1  ILE  60          1HG1      ILE  60   2.147  -2.931   4.790
  251   2HG1  ILE  60          2HG1      ILE  60   1.720  -3.048   6.494
  252   1HG2  ILE  60          1HG2      ILE  60  -0.733  -0.770   3.962
  253   2HG2  ILE  60          2HG2      ILE  60   0.965  -0.441   3.559
  254   3HG2  ILE  60          3HG2      ILE  60   0.302  -2.062   3.352
  255   1HD1  ILE  60          1HD1      ILE  60   0.771  -4.944   5.672
  256   2HD1  ILE  60          2HD1      ILE  60  -0.614  -3.847   5.701
  257   3HD1  ILE  60          3HD1      ILE  60   0.226  -4.197   4.166
  258    H    LEU  61           H        LEU  61  -0.307   0.516   7.447
  259    HA   LEU  61           HA       LEU  61  -1.245   2.755   6.110
  260   1HB   LEU  61          1HB       LEU  61  -2.211   1.713   8.150
  261   2HB   LEU  61          2HB       LEU  61  -0.928   2.344   9.128
  262    HG   LEU  61           HG       LEU  61  -1.623   4.598   8.870
  263   1HD1  LEU  61          1HD1      LEU  61  -3.670   5.192   7.500
  264   2HD1  LEU  61          2HD1      LEU  61  -2.262   4.733   6.537
  265   3HD1  LEU  61          3HD1      LEU  61  -3.580   3.568   6.790
  266   1HD2  LEU  61          1HD2      LEU  61  -2.890   3.200  10.483
  267   2HD2  LEU  61          2HD2      LEU  61  -3.884   4.512   9.819
  268   3HD2  LEU  61          3HD2      LEU  61  -4.095   2.851   9.225
  269    H    ASP  62           H        ASP  62   1.247   2.611   8.710
  270    HA   ASP  62           HA       ASP  62   1.759   5.403   8.613
  271   1HB   ASP  62          1HB       ASP  62   2.417   3.867  10.484
  272   2HB   ASP  62          2HB       ASP  62   3.741   3.263   9.473
  273    H    ILE  63           H        ILE  63   3.259   2.646   6.890
  274    HA   ILE  63           HA       ILE  63   5.310   4.235   5.624
  275    HB   ILE  63           HB       ILE  63   4.103   1.506   5.214
  276   1HG1  ILE  63          1HG1      ILE  63   7.017   2.333   5.251
  277   2HG1  ILE  63          2HG1      ILE  63   6.094   2.223   6.755
  278   1HG2  ILE  63          1HG2      ILE  63   5.655   1.199   3.229
  279   2HG2  ILE  63          2HG2      ILE  63   4.181   2.108   2.915
  280   3HG2  ILE  63          3HG2      ILE  63   5.748   2.950   3.098
  281   1HD1  ILE  63          1HD1      ILE  63   6.259  -0.133   4.835
  282   2HD1  ILE  63          2HD1      ILE  63   7.421   0.154   6.138
  283   3HD1  ILE  63          3HD1      ILE  63   5.706  -0.104   6.517
  284    H    ILE  64           H        ILE  64   1.964   3.443   4.591
  285    HA   ILE  64           HA       ILE  64   2.143   4.695   2.025
  286    HB   ILE  64           HB       ILE  64  -0.190   4.279   3.925
  287   1HG1  ILE  64          1HG1      ILE  64   0.344   2.801   1.348
  288   2HG1  ILE  64          2HG1      ILE  64   1.238   2.317   2.790
  289   1HG2  ILE  64          1HG2      ILE  64  -0.183   5.174   1.013
  290   2HG2  ILE  64          2HG2      ILE  64  -1.616   4.577   1.871
  291   3HG2  ILE  64          3HG2      ILE  64  -0.835   6.066   2.403
  292   1HD1  ILE  64          1HD1      ILE  64  -0.798   0.999   2.555
  293   2HD1  ILE  64          2HD1      ILE  64  -0.838   1.951   4.041
  294   3HD1  ILE  64          3HD1      ILE  64  -1.787   2.476   2.651
  295    H    LEU  65           H        LEU  65   1.163   5.941   5.222
  296    HA   LEU  65           HA       LEU  65   0.641   8.615   4.348
  297   1HB   LEU  65          1HB       LEU  65   1.335   7.437   7.053
  298   2HB   LEU  65          2HB       LEU  65   0.784   9.094   6.818
  299    HG   LEU  65           HG       LEU  65  -0.952   6.701   5.955
  300   1HD1  LEU  65          1HD1      LEU  65  -2.106   7.029   8.120
  301   2HD1  LEU  65          2HD1      LEU  65  -0.417   6.564   8.391
  302   3HD1  LEU  65          3HD1      LEU  65  -0.912   8.254   8.593
  303   1HD2  LEU  65          1HD2      LEU  65  -1.517   9.634   6.436
  304   2HD2  LEU  65          2HD2      LEU  65  -1.567   8.695   4.914
  305   3HD2  LEU  65          3HD2      LEU  65  -2.740   8.364   6.197
  306    H    ASN  66           H        ASN  66   3.604   7.023   5.442
  307    HA   ASN  66           HA       ASN  66   5.053   9.588   5.781
  308   1HB   ASN  66          1HB       ASN  66   5.614   6.712   6.614
  309   2HB   ASN  66          2HB       ASN  66   6.816   7.959   6.712
  310   1HD2  ASN  66          1HD2      ASN  66   3.516   7.249   7.723
  311   2HD2  ASN  66          2HD2      ASN  66   3.739   7.703   9.371
  312    H    GLY  67           H        GLY  67   5.587   6.406   4.178
  313   1HA   GLY  67          1HA       GLY  67   6.604   6.518   1.881
  314   2HA   GLY  67          2HA       GLY  67   7.868   7.521   2.618
  315    H    GLN  68           H        GLN  68   9.129   5.658   1.711
  316    HA   GLN  68           HA       GLN  68  10.170   4.062   3.800
  317   1HB   GLN  68          1HB       GLN  68   8.431   2.278   3.147
  318   2HB   GLN  68          2HB       GLN  68   8.770   2.648   1.470
  319   1HG   GLN  68          1HG       GLN  68   9.771   0.561   2.192
  320   2HG   GLN  68          2HG       GLN  68  11.017   1.690   1.674
  321   1HE2  GLN  68          1HE2      GLN  68  10.559  -0.730   3.761
  322   2HE2  GLN  68          2HE2      GLN  68  11.641  -0.168   5.003
  323    H    GLY  69           H        GLY  69  12.406   3.817   3.130
  324   1HA   GLY  69          1HA       GLY  69  14.256   4.533   1.874
  325   2HA   GLY  69          2HA       GLY  69  13.567   3.344   0.769
  326    H    GLY  70           H        GLY  70  13.083   4.082  -1.322
  327   1HA   GLY  70          1HA       GLY  70  13.397   6.935  -1.941
  328   2HA   GLY  70          2HA       GLY  70  13.237   5.569  -3.046
  329    H    MET  71           H        MET  71  10.707   4.998  -1.090
  330    HA   MET  71           HA       MET  71   8.733   5.870  -2.946
  331   1HB   MET  71          1HB       MET  71   8.589   3.917  -1.380
  332   2HB   MET  71          2HB       MET  71   8.444   5.021  -0.044
  333   1HG   MET  71          1HG       MET  71   6.388   5.869  -0.692
  334   2HG   MET  71          2HG       MET  71   6.381   5.023  -2.234
  335   1HE   MET  71          1HE       MET  71   3.701   3.593   0.576
  336   2HE   MET  71          2HE       MET  71   4.532   5.141   0.831
  337   3HE   MET  71          3HE       MET  71   3.846   4.751  -0.767
  338    HA   PRO  72           HA       PRO  72   8.734  10.097  -1.431
  339   1HB   PRO  72          1HB       PRO  72   6.403  11.062  -2.552
  340   2HB   PRO  72          2HB       PRO  72   7.896  10.744  -3.483
  341   1HG   PRO  72          1HG       PRO  72   5.518   8.908  -3.126
  342   2HG   PRO  72          2HG       PRO  72   6.316   9.365  -4.663
  343   1HD   PRO  72          1HD       PRO  72   6.911   7.050  -3.440
  344   2HD   PRO  72          2HD       PRO  72   8.247   8.038  -4.120
  345    H    GLY  73           H        GLY  73   5.784   8.157  -1.072
  346   1HA   GLY  73          1HA       GLY  73   4.583   7.734   0.867
  347   2HA   GLY  73          2HA       GLY  73   5.584   8.907   1.738
  348    H    GLY  74           H        GLY  74   2.875   8.757   2.109
  349   1HA   GLY  74          1HA       GLY  74   1.054  10.133   2.337
  350   2HA   GLY  74          2HA       GLY  74   2.017  11.480   1.682
  351    H    ILE  75           H        ILE  75   1.733   8.485  -0.082
  352    HA   ILE  75           HA       ILE  75   0.672   9.743  -2.435
  353    HB   ILE  75           HB       ILE  75   1.123   6.861  -1.559
  354   1HG1  ILE  75          1HG1      ILE  75   3.175   8.130  -1.969
  355   2HG1  ILE  75          2HG1      ILE  75   2.927   6.876  -3.182
  356   1HG2  ILE  75          1HG2      ILE  75  -0.066   7.852  -4.157
  357   2HG2  ILE  75          2HG2      ILE  75   0.823   6.322  -4.036
  358   3HG2  ILE  75          3HG2      ILE  75  -0.627   6.574  -3.058
  359   1HD1  ILE  75          1HD1      ILE  75   2.651   9.879  -3.515
  360   2HD1  ILE  75          2HD1      ILE  75   3.669   8.747  -4.414
  361   3HD1  ILE  75          3HD1      ILE  75   1.932   8.752  -4.688
  362    H    ALA  76           H        ALA  76  -0.767   8.108   0.321
  363    HA   ALA  76           HA       ALA  76  -3.396   8.964  -0.605
  364   1HB   ALA  76          1HB       ALA  76  -3.512   6.594  -1.100
  365   2HB   ALA  76          2HB       ALA  76  -2.644   6.172   0.391
  366   3HB   ALA  76          3HB       ALA  76  -4.291   6.789   0.490
  367    H    LYS  77           H        LYS  77  -4.718   9.619   1.279
  368    HA   LYS  77           HA       LYS  77  -3.426   9.338   3.920
  369   1HB   LYS  77          1HB       LYS  77  -3.871  11.981   2.478
  370   2HB   LYS  77          2HB       LYS  77  -3.870  11.851   4.233
  371   1HG   LYS  77          1HG       LYS  77  -1.619  10.659   4.029
  372   2HG   LYS  77          2HG       LYS  77  -1.577  11.176   2.340
  373   1HD   LYS  77          1HD       LYS  77  -1.595  13.534   3.083
  374   2HD   LYS  77          2HD       LYS  77  -1.786  13.006   4.769
  375   1HE   LYS  77          1HE       LYS  77   0.440  11.560   4.161
  376   2HE   LYS  77          2HE       LYS  77   0.636  12.839   2.954
  377   1HZ   LYS  77          1HZ       LYS  77   0.629  14.415   4.779
  378   2HZ   LYS  77          2HZ       LYS  77   0.389  13.198   5.871
  379   3HZ   LYS  77          3HZ       LYS  77   1.780  13.258   5.007
  380    H    GLY  78           H        GLY  78  -4.657   9.763   5.735
  381   1HA   GLY  78          1HA       GLY  78  -6.540   9.536   7.002
  382   2HA   GLY  78          2HA       GLY  78  -7.418  10.415   5.737
  383    H    ALA  79           H        ALA  79  -9.233   9.108   5.763
  384    HA   ALA  79           HA       ALA  79  -9.684   6.477   5.898
  385   1HB   ALA  79          1HB       ALA  79 -10.995   8.343   3.892
  386   2HB   ALA  79          2HB       ALA  79 -11.646   6.791   4.467
  387   3HB   ALA  79          3HB       ALA  79 -11.442   8.137   5.604
  388    H    GLU  80           H        GLU  80  -8.333   8.089   3.057
  389    HA   GLU  80           HA       GLU  80  -8.446   6.005   1.145
  390   1HB   GLU  80          1HB       GLU  80  -7.814   8.556   1.019
  391   2HB   GLU  80          2HB       GLU  80  -6.214   8.007   1.505
  392   1HG   GLU  80          1HG       GLU  80  -6.228   6.542  -0.574
  393   2HG   GLU  80          2HG       GLU  80  -7.728   7.346  -1.044
  394    H    ALA  81           H        ALA  81  -5.740   6.930   3.441
  395    HA   ALA  81           HA       ALA  81  -4.125   4.676   2.660
  396   1HB   ALA  81          1HB       ALA  81  -2.642   5.462   4.403
  397   2HB   ALA  81          2HB       ALA  81  -3.212   6.845   3.462
  398   3HB   ALA  81          3HB       ALA  81  -3.908   6.526   5.067
  399    H    GLU  82           H        GLU  82  -6.376   5.457   5.340
  400    HA   GLU  82           HA       GLU  82  -5.889   3.196   6.996
  401   1HB   GLU  82          1HB       GLU  82  -8.465   4.699   6.424
  402   2HB   GLU  82          2HB       GLU  82  -8.226   3.610   7.783
  403   1HG   GLU  82          1HG       GLU  82  -6.716   5.056   8.872
  404   2HG   GLU  82          2HG       GLU  82  -6.365   5.990   7.418
  405    H    ALA  83           H        ALA  83  -8.242   3.654   4.317
  406    HA   ALA  83           HA       ALA  83  -9.291   1.035   4.318
  407   1HB   ALA  83          1HB       ALA  83 -10.116   1.548   2.097
  408   2HB   ALA  83          2HB       ALA  83 -10.301   2.962   3.129
  409   3HB   ALA  83          3HB       ALA  83  -8.985   2.910   1.933
  410    H    VAL  84           H        VAL  84  -6.532   2.433   2.396
  411    HA   VAL  84           HA       VAL  84  -5.734   0.031   1.154
  412    HB   VAL  84           HB       VAL  84  -3.904   2.191   2.230
  413   1HG1  VAL  84          1HG1      VAL  84  -3.393  -0.081   0.247
  414   2HG1  VAL  84          2HG1      VAL  84  -2.269   1.222   0.670
  415   3HG1  VAL  84          3HG1      VAL  84  -2.693   0.014   1.870
  416   1HG2  VAL  84          1HG2      VAL  84  -5.215   3.178   0.463
  417   2HG2  VAL  84          2HG2      VAL  84  -3.645   2.721  -0.221
  418   3HG2  VAL  84          3HG2      VAL  84  -5.081   1.715  -0.523
  419    H    ALA  85           H        ALA  85  -4.625   1.237   4.372
  420    HA   ALA  85           HA       ALA  85  -2.863  -0.797   5.048
  421   1HB   ALA  85          1HB       ALA  85  -3.283   1.284   6.296
  422   2HB   ALA  85          2HB       ALA  85  -4.805   0.628   6.927
  423   3HB   ALA  85          3HB       ALA  85  -3.282  -0.157   7.347
  424    H    ALA  86           H        ALA  86  -6.385  -0.716   5.878
  425    HA   ALA  86           HA       ALA  86  -6.415  -3.343   7.000
  426   1HB   ALA  86          1HB       ALA  86  -8.675  -1.779   5.684
  427   2HB   ALA  86          2HB       ALA  86  -8.858  -3.210   6.724
  428   3HB   ALA  86          3HB       ALA  86  -8.191  -1.707   7.393
  429    H    TRP  87           H        TRP  87  -7.245  -2.203   3.702
  430    HA   TRP  87           HA       TRP  87  -8.001  -4.718   2.611
  431   1HB   TRP  87          1HB       TRP  87  -8.653  -2.597   1.692
  432   2HB   TRP  87          2HB       TRP  87  -6.955  -2.152   1.484
  433    HD1  TRP  87           HD       TRP  87  -9.562  -4.342  -0.356
  434    HE1  TRP  87           1HE      TRP  87  -8.515  -5.112  -2.549
  435    HE3  TRP  87           3HE      TRP  87  -5.055  -1.954   0.036
  436    HZ2  TRP  87           2HZ      TRP  87  -5.168  -4.978  -3.082
  437    HZ3  TRP  87           3HZ      TRP  87  -3.650  -1.799  -1.980
  438    HH2  TRP  87           HH       TRP  87  -4.176  -3.071  -3.993
  439    H    LEU  88           H        LEU  88  -4.853  -3.233   3.027
  440    HA   LEU  88           HA       LEU  88  -3.524  -5.240   1.359
  441   1HB   LEU  88          1HB       LEU  88  -2.755  -2.646   2.179
  442   2HB   LEU  88          2HB       LEU  88  -1.638  -3.752   2.947
  443    HG   LEU  88           HG       LEU  88  -1.039  -2.948   0.611
  444   1HD1  LEU  88          1HD1      LEU  88   0.033  -5.010   1.411
  445   2HD1  LEU  88          2HD1      LEU  88  -1.372  -5.975   0.930
  446   3HD1  LEU  88          3HD1      LEU  88  -0.405  -5.167  -0.310
  447   1HD2  LEU  88          1HD2      LEU  88  -3.271  -4.429  -0.545
  448   2HD2  LEU  88          2HD2      LEU  88  -2.948  -2.690  -0.212
  449   3HD2  LEU  88          3HD2      LEU  88  -1.906  -3.595  -1.325
  450    H    ALA  89           H        ALA  89  -3.853  -4.494   4.832
  451    HA   ALA  89           HA       ALA  89  -2.317  -6.669   5.784
  452   1HB   ALA  89          1HB       ALA  89  -3.696  -6.501   7.819
  453   2HB   ALA  89          2HB       ALA  89  -3.015  -4.968   7.231
  454   3HB   ALA  89          3HB       ALA  89  -4.750  -5.332   6.983
  455    H    GLU  90           H        GLU  90  -5.790  -6.558   4.738
  456    HA   GLU  90           HA       GLU  90  -6.135  -9.349   5.392
  457   1HB   GLU  90          1HB       GLU  90  -8.321  -9.122   4.637
  458   2HB   GLU  90          2HB       GLU  90  -7.864  -7.551   5.329
  459   1HG   GLU  90          1HG       GLU  90  -8.950  -6.887   3.407
  460   2HG   GLU  90          2HG       GLU  90  -7.273  -6.944   2.857
  461    H    LYS  91           H        LYS  91  -4.245  -8.026   2.940
  462    HA   LYS  91           HA       LYS  91  -5.369  -9.257   0.824
  463   1HB   LYS  91          1HB       LYS  91  -3.930  -7.213   0.908
  464   2HB   LYS  91          2HB       LYS  91  -2.496  -8.244   0.844
  465   1HG   LYS  91          1HG       LYS  91  -3.103  -7.168  -1.284
  466   2HG   LYS  91          2HG       LYS  91  -3.144  -8.920  -1.456
  467   1HD   LYS  91          1HD       LYS  91  -5.646  -7.374  -0.669
  468   2HD   LYS  91          2HD       LYS  91  -5.148  -7.391  -2.364
  469   1HE   LYS  91          1HE       LYS  91  -5.529  -9.654  -2.655
  470   2HE   LYS  91          2HE       LYS  91  -5.244 -10.082  -0.983
  471   1HZ   LYS  91          1HZ       LYS  91  -7.635  -8.602  -1.940
  472   2HZ   LYS  91          2HZ       LYS  91  -7.609 -10.201  -1.535
  473   3HZ   LYS  91          3HZ       LYS  91  -7.358  -9.050  -0.401
  474    H    LYS  92           H        LYS  92  -4.397 -11.230   2.851
  475    HA   LYS  92           HA       LYS  92  -1.596 -11.679   2.076
  476   1HB   LYS  92          1HB       LYS  92  -1.233 -11.482   4.307
  477   2HB   LYS  92          2HB       LYS  92  -2.453 -10.271   3.797
  478   1HG   LYS  92          1HG       LYS  92  -4.214 -11.478   4.917
  479   2HG   LYS  92          2HG       LYS  92  -3.204 -12.900   5.210
  480   1HD   LYS  92          1HD       LYS  92  -2.043 -11.952   6.986
  481   2HD   LYS  92          2HD       LYS  92  -2.157 -10.353   6.312
  482   1HE   LYS  92          1HE       LYS  92  -3.529 -10.047   8.099
  483   2HE   LYS  92          2HE       LYS  92  -4.727 -10.460   6.877
  484   1HZ   LYS  92          1HZ       LYS  92  -4.671 -12.726   7.699
  485   2HZ   LYS  92          2HZ       LYS  92  -3.617 -12.278   8.891
  486   3HZ   LYS  92          3HZ       LYS  92  -5.134 -11.643   8.853
  487    HHA  HEC  93           HHA      HEC  93   8.550  -0.038   0.456
  488    HHB  HEC  93           HHB      HEC  93   2.133  -0.043   0.726
  489    HHC  HEC  93           HHC      HEC  93   2.138   4.298  -4.025
  490    HHD  HEC  93           HHD      HEC  93   8.403   3.284  -4.951
  491   1HMA  HEC  93          1HMA      HEC  93   4.553  -1.723   3.356
  492   2HMA  HEC  93          2HMA      HEC  93   3.167  -0.738   2.897
  493   3HMA  HEC  93          3HMA      HEC  93   3.488  -2.269   2.046
  494   1HAA  HEC  93          1HAA      HEC  93   6.760  -1.802   3.127
  495   2HAA  HEC  93          2HAA      HEC  93   7.779  -0.458   2.749
  496   1HBA  HEC  93          1HBA      HEC  93   8.046  -2.064   0.542
  497   2HBA  HEC  93          2HBA      HEC  93   7.754  -3.282   1.778
  498   1HMB  HEC  93          1HMB      HEC  93  -0.015   0.698   0.413
  499   2HMB  HEC  93          2HMB      HEC  93  -0.946   1.072  -1.042
  500   3HMB  HEC  93          3HMB      HEC  93   0.150  -0.299  -1.039
  501    HAB  HEC  93           HAB      HEC  93   0.152   3.907  -3.497
  502   1HBB  HEC  93          1HBB      HEC  93  -1.970   4.157  -2.315
  503   2HBB  HEC  93          2HBB      HEC  93  -1.359   3.194  -0.960
  504   3HBB  HEC  93          3HBB      HEC  93  -0.595   4.733  -1.354
  505   1HMC  HEC  93          1HMC      HEC  93   3.004   5.986  -5.553
  506   2HMC  HEC  93          2HMC      HEC  93   4.080   5.745  -6.937
  507   3HMC  HEC  93          3HMC      HEC  93   2.919   4.497  -6.521
  508    HAC  HEC  93           HAC      HEC  93   7.760   4.507  -6.504
  509   1HBC  HEC  93          1HBC      HEC  93   5.875   6.872  -6.623
  510   2HBC  HEC  93          2HBC      HEC  93   7.448   6.738  -5.835
  511   3HBC  HEC  93          3HBC      HEC  93   7.342   6.657  -7.595
  512   1HMD  HEC  93          1HMD      HEC  93  10.094   1.902  -5.018
  513   2HMD  HEC  93          2HMD      HEC  93  11.125   2.776  -3.856
  514   3HMD  HEC  93          3HMD      HEC  93  11.178   0.998  -3.977
  515   1HAD  HEC  93          1HAD      HEC  93  10.841  -0.491  -1.230
  516   2HAD  HEC  93          2HAD      HEC  93  10.428   0.493   0.038
  517   1HBD  HEC  93          1HBD      HEC  93  12.598   0.905  -0.054
  518   2HBD  HEC  93          2HBD      HEC  93  11.714   2.373  -0.459
  Start of MODEL   17
    1   1H    VAL  22          1H        VAL  22 -14.650   4.709  -1.197
    2   2H    VAL  22          2H        VAL  22 -14.074   4.695   0.344
    3   3H    VAL  22          3H        VAL  22 -14.382   6.149  -0.406
    4    HA   VAL  22           HA       VAL  22 -12.679   5.653  -2.025
    5    HB   VAL  22           HB       VAL  22 -11.833   5.621   0.897
    6   1HG1  VAL  22          1HG1      VAL  22  -9.605   6.341  -0.051
    7   2HG1  VAL  22          2HG1      VAL  22  -9.964   4.623  -0.255
    8   3HG1  VAL  22          3HG1      VAL  22 -10.135   5.744  -1.630
    9   1HG2  VAL  22          1HG2      VAL  22 -11.240   7.960   0.425
   10   2HG2  VAL  22          2HG2      VAL  22 -11.706   7.774  -1.271
   11   3HG2  VAL  22          3HG2      VAL  22 -12.941   7.710   0.008
   12    H    ASP  23           H        ASP  23 -12.581   3.879  -3.211
   13    HA   ASP  23           HA       ASP  23 -12.827   1.251  -2.159
   14   1HB   ASP  23          1HB       ASP  23 -12.225   2.398  -4.904
   15   2HB   ASP  23          2HB       ASP  23 -12.445   0.668  -4.595
   16    H    ALA  24           H        ALA  24 -11.189   0.605  -0.883
   17    HA   ALA  24           HA       ALA  24  -8.615   1.344  -0.728
   18   1HB   ALA  24          1HB       ALA  24  -9.505  -1.572  -0.482
   19   2HB   ALA  24          2HB       ALA  24  -8.126  -0.768   0.303
   20   3HB   ALA  24          3HB       ALA  24  -9.794  -0.366   0.767
   21    H    GLU  25           H        GLU  25  -9.722  -1.411  -2.772
   22    HA   GLU  25           HA       GLU  25  -7.119  -1.915  -3.777
   23   1HB   GLU  25          1HB       GLU  25  -8.010  -3.591  -5.019
   24   2HB   GLU  25          2HB       GLU  25  -9.291  -3.392  -3.809
   25   1HG   GLU  25          1HG       GLU  25 -10.568  -2.038  -5.397
   26   2HG   GLU  25          2HG       GLU  25  -9.291  -2.317  -6.642
   27    H    ALA  26           H        ALA  26  -9.783   0.178  -4.975
   28    HA   ALA  26           HA       ALA  26  -8.625   0.839  -7.473
   29   1HB   ALA  26          1HB       ALA  26 -10.285   2.729  -5.809
   30   2HB   ALA  26          2HB       ALA  26 -10.082   2.695  -7.561
   31   3HB   ALA  26          3HB       ALA  26 -10.977   1.382  -6.766
   32    H    VAL  27           H        VAL  27  -8.261   2.331  -4.222
   33    HA   VAL  27           HA       VAL  27  -6.319   4.366  -4.936
   34    HB   VAL  27           HB       VAL  27  -6.440   2.727  -2.364
   35   1HG1  VAL  27          1HG1      VAL  27  -5.120   5.387  -3.037
   36   2HG1  VAL  27          2HG1      VAL  27  -5.256   4.704  -1.420
   37   3HG1  VAL  27          3HG1      VAL  27  -4.279   3.872  -2.639
   38   1HG2  VAL  27          1HG2      VAL  27  -7.649   4.659  -1.448
   39   2HG2  VAL  27          2HG2      VAL  27  -7.664   5.434  -3.048
   40   3HG2  VAL  27          3HG2      VAL  27  -8.576   3.938  -2.767
   41    H    VAL  28           H        VAL  28  -5.613   0.813  -3.936
   42    HA   VAL  28           HA       VAL  28  -2.959   1.554  -4.482
   43    HB   VAL  28           HB       VAL  28  -4.185  -1.159  -4.251
   44   1HG1  VAL  28          1HG1      VAL  28  -1.295  -0.418  -3.644
   45   2HG1  VAL  28          2HG1      VAL  28  -1.965  -2.023  -3.710
   46   3HG1  VAL  28          3HG1      VAL  28  -1.859  -1.095  -5.197
   47   1HG2  VAL  28          1HG2      VAL  28  -3.184   0.947  -2.298
   48   2HG2  VAL  28          2HG2      VAL  28  -4.638  -0.080  -2.184
   49   3HG2  VAL  28          3HG2      VAL  28  -3.026  -0.725  -1.830
   50    H    GLN  29           H        GLN  29  -5.286   0.007  -6.427
   51    HA   GLN  29           HA       GLN  29  -3.835  -0.474  -8.817
   52   1HB   GLN  29          1HB       GLN  29  -6.787  -0.158  -8.164
   53   2HB   GLN  29          2HB       GLN  29  -6.240  -0.693  -9.724
   54   1HG   GLN  29          1HG       GLN  29  -5.655  -2.144  -7.113
   55   2HG   GLN  29          2HG       GLN  29  -6.882  -2.587  -8.303
   56   1HE2  GLN  29          1HE2      GLN  29  -4.453  -4.110  -7.311
   57   2HE2  GLN  29          2HE2      GLN  29  -3.459  -4.350  -8.746
   58    H    GLN  30           H        GLN  30  -4.539   2.564  -7.476
   59    HA   GLN  30           HA       GLN  30  -3.871   3.682 -10.170
   60   1HB   GLN  30          1HB       GLN  30  -6.315   4.045  -9.058
   61   2HB   GLN  30          2HB       GLN  30  -5.459   5.383  -8.287
   62   1HG   GLN  30          1HG       GLN  30  -4.637   6.053 -10.619
   63   2HG   GLN  30          2HG       GLN  30  -5.700   4.801 -11.280
   64   1HE2  GLN  30          1HE2      GLN  30  -8.041   5.050  -9.865
   65   2HE2  GLN  30          2HE2      GLN  30  -8.696   6.664 -10.097
   66    H    LYS  31           H        LYS  31  -3.114   3.692  -6.780
   67    HA   LYS  31           HA       LYS  31  -1.463   6.157  -6.994
   68   1HB   LYS  31          1HB       LYS  31  -2.950   4.727  -4.755
   69   2HB   LYS  31          2HB       LYS  31  -1.752   5.883  -4.405
   70   1HG   LYS  31          1HG       LYS  31  -3.648   6.914  -6.426
   71   2HG   LYS  31          2HG       LYS  31  -4.419   6.453  -4.906
   72   1HD   LYS  31          1HD       LYS  31  -2.722   7.774  -3.644
   73   2HD   LYS  31          2HD       LYS  31  -1.999   8.292  -5.184
   74   1HE   LYS  31          1HE       LYS  31  -4.197   9.395  -5.759
   75   2HE   LYS  31          2HE       LYS  31  -4.838   8.862  -4.192
   76   1HZ   LYS  31          1HZ       LYS  31  -3.009  10.128  -3.155
   77   2HZ   LYS  31          2HZ       LYS  31  -2.609  10.737  -4.621
   78   3HZ   LYS  31          3HZ       LYS  31  -4.087  11.077  -3.975
   79    H    CYS  32           H        CYS  32  -1.239   2.668  -6.581
   80    HA   CYS  32           HA       CYS  32   1.553   2.984  -5.551
   81   1HB   CYS  32          1HB       CYS  32  -0.189   0.617  -5.153
   82   2HB   CYS  32          2HB       CYS  32   1.206   1.076  -4.196
   83    H    ILE  33           H        ILE  33  -0.592   0.989  -7.623
   84    HA   ILE  33           HA       ILE  33   1.310  -0.721  -8.692
   85    HB   ILE  33           HB       ILE  33  -0.025  -0.749 -10.753
   86   1HG1  ILE  33          1HG1      ILE  33  -1.938   1.237  -9.503
   87   2HG1  ILE  33          2HG1      ILE  33  -0.719   1.716 -10.682
   88   1HG2  ILE  33          1HG2      ILE  33  -1.608  -0.951  -8.167
   89   2HG2  ILE  33          2HG2      ILE  33  -2.035  -1.714  -9.711
   90   3HG2  ILE  33          3HG2      ILE  33  -0.551  -2.174  -8.882
   91   1HD1  ILE  33          1HD1      ILE  33  -2.726   1.332 -11.899
   92   2HD1  ILE  33          2HD1      ILE  33  -1.572   0.059 -12.311
   93   3HD1  ILE  33          3HD1      ILE  33  -2.923  -0.293 -11.215
   94    H    SER  34           H        SER  34   0.868   2.711  -9.415
   95    HA   SER  34           HA       SER  34   2.309   3.270 -11.587
   96   1HB   SER  34          1HB       SER  34   2.665   4.631  -8.892
   97   2HB   SER  34          2HB       SER  34   2.768   5.387 -10.494
   98    HG   SER  34           HG       SER  34   0.537   4.947 -10.746
   99    H    CYS  35           H        CYS  35   3.718   2.118  -8.501
  100    HA   CYS  35           HA       CYS  35   6.338   1.839  -9.920
  101   1HB   CYS  35          1HB       CYS  35   6.194   2.177  -6.918
  102   2HB   CYS  35          2HB       CYS  35   7.567   2.310  -7.993
  103    H    HIS  36           H        HIS  36   4.079   0.459  -7.478
  104    HA   HIS  36           HA       HIS  36   5.658  -1.940  -7.181
  105   1HB   HIS  36          1HB       HIS  36   2.918  -1.102  -6.267
  106   2HB   HIS  36          2HB       HIS  36   3.617  -2.688  -5.888
  107    HD1  HIS  36           1HD      HIS  36   5.809  -2.700  -4.230
  108    HD2  HIS  36           2HD      HIS  36   3.744   0.957  -4.768
  109    HE1  HIS  36           1HE      HIS  36   6.492  -1.165  -2.325
  110    H    GLY  37           H        GLY  37   3.562  -1.065  -9.739
  111   1HA   GLY  37          1HA       GLY  37   4.047  -2.374 -11.643
  112   2HA   GLY  37          2HA       GLY  37   3.812  -3.871 -10.745
  113    H    GLY  38           H        GLY  38   1.604  -4.380 -10.058
  114   1HA   GLY  38          1HA       GLY  38  -0.693  -3.073 -11.333
  115   2HA   GLY  38          2HA       GLY  38  -0.168  -4.561 -12.136
  116    H    ASP  39           H        ASP  39   0.254  -6.454 -10.557
  117    HA   ASP  39           HA       ASP  39  -1.969  -6.745  -8.660
  118   1HB   ASP  39          1HB       ASP  39   0.081  -8.595  -9.888
  119   2HB   ASP  39          2HB       ASP  39  -0.825  -9.076  -8.445
  120    H    LEU  40           H        LEU  40   0.779  -5.117  -8.323
  121    HA   LEU  40           HA       LEU  40   2.159  -4.491  -6.666
  122   1HB   LEU  40          1HB       LEU  40   0.256  -5.861  -4.708
  123   2HB   LEU  40          2HB       LEU  40   1.513  -4.681  -4.393
  124    HG   LEU  40           HG       LEU  40  -0.392  -3.427  -4.295
  125   1HD1  LEU  40          1HD1      LEU  40   1.243  -2.336  -5.703
  126   2HD1  LEU  40          2HD1      LEU  40   0.572  -3.082  -7.173
  127   3HD1  LEU  40          3HD1      LEU  40  -0.354  -1.902  -6.293
  128   1HD2  LEU  40          1HD2      LEU  40  -2.291  -3.432  -5.675
  129   2HD2  LEU  40          2HD2      LEU  40  -1.574  -4.563  -6.820
  130   3HD2  LEU  40          3HD2      LEU  40  -1.954  -5.094  -5.159
  131    H    THR  41           H        THR  41   2.496  -6.955  -8.080
  132    HA   THR  41           HA       THR  41   3.888  -8.840  -6.444
  133    HB   THR  41           HB       THR  41   4.578  -9.491  -8.881
  134    HG1  THR  41           1HG      THR  41   4.236  -7.540  -9.915
  135   1HG2  THR  41          1HG2      THR  41   2.710 -10.595  -7.730
  136   2HG2  THR  41          2HG2      THR  41   1.634  -9.234  -8.079
  137   3HG2  THR  41          3HG2      THR  41   2.238 -10.242  -9.405
  138    H    GLY  42           H        GLY  42   4.678  -5.633  -7.636
  139   1HA   GLY  42          1HA       GLY  42   6.498  -4.505  -6.812
  140   2HA   GLY  42          2HA       GLY  42   7.399  -6.004  -6.551
  141    H    ALA  43           H        ALA  43   6.740  -3.435  -8.767
  142    HA   ALA  43           HA       ALA  43   8.357  -4.725 -10.935
  143   1HB   ALA  43          1HB       ALA  43   7.466  -2.901 -12.352
  144   2HB   ALA  43          2HB       ALA  43   6.211  -3.964 -11.687
  145   3HB   ALA  43          3HB       ALA  43   6.457  -2.353 -10.996
  146    H    SER  44           H        SER  44   7.952  -1.316  -9.923
  147    HA   SER  44           HA       SER  44  10.887  -0.888 -10.083
  148   1HB   SER  44          1HB       SER  44   8.638   1.112  -9.670
  149   2HB   SER  44          2HB       SER  44  10.327   1.461 -10.058
  150    HG   SER  44           HG       SER  44   8.484   0.024 -11.689
  151    H    ALA  45           H        ALA  45   8.876  -2.062  -7.784
  152    HA   ALA  45           HA       ALA  45  10.264  -0.930  -5.460
  153   1HB   ALA  45          1HB       ALA  45   8.062  -0.433  -4.414
  154   2HB   ALA  45          2HB       ALA  45   8.284   0.548  -5.872
  155   3HB   ALA  45          3HB       ALA  45   7.245  -0.875  -5.924
  156    HA   PRO  46           HA       PRO  46   9.853  -5.231  -4.488
  157   1HB   PRO  46          1HB       PRO  46   9.386  -5.335  -1.758
  158   2HB   PRO  46          2HB       PRO  46  10.961  -4.915  -2.492
  159   1HG   PRO  46          1HG       PRO  46   8.800  -3.033  -1.541
  160   2HG   PRO  46          2HG       PRO  46  10.545  -2.980  -1.144
  161   1HD   PRO  46          1HD       PRO  46   9.491  -1.427  -3.093
  162   2HD   PRO  46          2HD       PRO  46  11.075  -2.207  -3.360
  163    H    ALA  47           H        ALA  47   8.376  -6.917  -3.680
  164    HA   ALA  47           HA       ALA  47   5.713  -6.513  -4.618
  165   1HB   ALA  47          1HB       ALA  47   6.972  -8.699  -4.663
  166   2HB   ALA  47          2HB       ALA  47   6.817  -8.785  -2.901
  167   3HB   ALA  47          3HB       ALA  47   5.363  -8.823  -3.921
  168    H    ILE  48           H        ILE  48   3.965  -5.766  -3.528
  169    HA   ILE  48           HA       ILE  48   4.005  -5.878  -0.556
  170    HB   ILE  48           HB       ILE  48   2.870  -3.704  -0.387
  171   1HG1  ILE  48          1HG1      ILE  48   3.439  -2.080  -2.345
  172   2HG1  ILE  48          2HG1      ILE  48   3.446  -3.513  -3.355
  173   1HG2  ILE  48          1HG2      ILE  48   4.924  -2.417  -0.620
  174   2HG2  ILE  48          2HG2      ILE  48   5.258  -4.014   0.056
  175   3HG2  ILE  48          3HG2      ILE  48   5.635  -3.668  -1.645
  176   1HD1  ILE  48          1HD1      ILE  48   1.308  -2.289  -3.357
  177   2HD1  ILE  48          2HD1      ILE  48   1.016  -3.810  -2.460
  178   3HD1  ILE  48          3HD1      ILE  48   1.272  -2.271  -1.600
  179    H    ASP  49           H        ASP  49   2.481  -7.081  -3.264
  180    HA   ASP  49           HA       ASP  49  -0.170  -7.277  -2.315
  181   1HB   ASP  49          1HB       ASP  49  -0.452  -8.871  -3.892
  182   2HB   ASP  49          2HB       ASP  49   1.087  -8.270  -4.497
  183    H    LYS  50           H        LYS  50   2.772  -8.911  -1.283
  184    HA   LYS  50           HA       LYS  50   1.336 -10.465   0.798
  185   1HB   LYS  50          1HB       LYS  50   3.703 -10.981  -0.828
  186   2HB   LYS  50          2HB       LYS  50   4.116 -11.045   0.875
  187   1HG   LYS  50          1HG       LYS  50   3.523 -13.234   0.221
  188   2HG   LYS  50          2HG       LYS  50   2.232 -12.668   1.277
  189   1HD   LYS  50          1HD       LYS  50   1.838 -12.111  -1.622
  190   2HD   LYS  50          2HD       LYS  50   1.928 -13.827  -1.250
  191   1HE   LYS  50          1HE       LYS  50   0.002 -13.839   0.083
  192   2HE   LYS  50          2HE       LYS  50   0.086 -12.122   0.444
  193   1HZ   LYS  50          1HZ       LYS  50  -0.372 -11.790  -1.994
  194   2HZ   LYS  50          2HZ       LYS  50  -0.905 -13.333  -1.994
  195   3HZ   LYS  50          3HZ       LYS  50  -1.603 -12.210  -0.977
  196    H    ALA  51           H        ALA  51   2.263  -7.409   0.671
  197    HA   ALA  51           HA       ALA  51   3.983  -6.936   2.842
  198   1HB   ALA  51          1HB       ALA  51   2.735  -4.794   3.055
  199   2HB   ALA  51          2HB       ALA  51   3.160  -5.175   1.376
  200   3HB   ALA  51          3HB       ALA  51   1.498  -5.438   1.954
  201    H    GLY  52           H        GLY  52   0.380  -7.298   2.826
  202   1HA   GLY  52          1HA       GLY  52  -0.171  -7.081   5.509
  203   2HA   GLY  52          2HA       GLY  52  -1.028  -8.149   4.375
  204    H    ALA  53           H        ALA  53   1.481  -9.834   3.990
  205    HA   ALA  53           HA       ALA  53   0.892 -11.651   6.238
  206   1HB   ALA  53          1HB       ALA  53   2.172 -13.264   4.969
  207   2HB   ALA  53          2HB       ALA  53   0.997 -12.476   3.899
  208   3HB   ALA  53          3HB       ALA  53   2.713 -12.016   3.829
  209    H    ASN  54           H        ASN  54   3.368  -9.396   5.197
  210    HA   ASN  54           HA       ASN  54   5.447 -10.545   7.006
  211   1HB   ASN  54          1HB       ASN  54   5.506  -8.355   4.877
  212   2HB   ASN  54          2HB       ASN  54   6.850  -8.749   5.950
  213   1HD2  ASN  54          1HD2      ASN  54   4.752 -10.132   3.337
  214   2HD2  ASN  54          2HD2      ASN  54   5.975 -11.305   2.863
  215    H    TYR  55           H        TYR  55   3.709  -7.547   6.302
  216    HA   TYR  55           HA       TYR  55   4.533  -6.317   8.862
  217   1HB   TYR  55          1HB       TYR  55   3.602  -4.855   6.382
  218   2HB   TYR  55          2HB       TYR  55   4.527  -4.220   7.740
  219    HD1  TYR  55           1HD      TYR  55   4.817  -4.694   4.401
  220    HD2  TYR  55           2HD      TYR  55   6.859  -5.868   8.014
  221    HE1  TYR  55           1HE      TYR  55   6.925  -4.952   3.126
  222    HE2  TYR  55           2HE      TYR  55   8.954  -6.168   6.717
  223    HH   TYR  55           HH       TYR  55   9.333  -5.073   3.404
  224    H    SER  56           H        SER  56   2.832  -5.210  10.004
  225    HA   SER  56           HA       SER  56   0.110  -6.254   9.401
  226   1HB   SER  56          1HB       SER  56   1.356  -4.877  11.799
  227   2HB   SER  56          2HB       SER  56  -0.390  -5.163  11.670
  228    HG   SER  56           HG       SER  56   0.770  -6.862  12.716
  229    H    GLU  57           H        GLU  57  -1.768  -4.787   9.660
  230    HA   GLU  57           HA       GLU  57  -1.739  -2.885   7.644
  231   1HB   GLU  57          1HB       GLU  57  -3.964  -2.326   8.185
  232   2HB   GLU  57          2HB       GLU  57  -3.801  -4.022   8.516
  233   1HG   GLU  57          1HG       GLU  57  -4.928  -3.488  10.366
  234   2HG   GLU  57          2HG       GLU  57  -3.331  -3.147  11.030
  235    H    GLU  58           H        GLU  58  -1.468  -2.254  11.165
  236    HA   GLU  58           HA       GLU  58  -1.113   0.441  11.258
  237   1HB   GLU  58          1HB       GLU  58   0.316  -0.006  13.258
  238   2HB   GLU  58          2HB       GLU  58  -1.177  -0.947  13.203
  239   1HG   GLU  58          1HG       GLU  58   0.269  -2.869  12.208
  240   2HG   GLU  58          2HG       GLU  58   1.655  -1.901  12.750
  241    H    GLU  59           H        GLU  59   1.530  -1.883  10.506
  242    HA   GLU  59           HA       GLU  59   3.590   0.080  10.240
  243   1HB   GLU  59          1HB       GLU  59   3.326  -2.713   9.026
  244   2HB   GLU  59          2HB       GLU  59   4.822  -1.791   9.140
  245   1HG   GLU  59          1HG       GLU  59   4.609  -1.788  11.637
  246   2HG   GLU  59          2HG       GLU  59   3.165  -2.808  11.479
  247    H    ILE  60           H        ILE  60   1.473  -1.554   7.905
  248    HA   ILE  60           HA       ILE  60   2.711  -0.436   5.553
  249    HB   ILE  60           HB       ILE  60  -0.091  -1.527   5.910
  250   1HG1  ILE  60          1HG1      ILE  60   2.416  -2.965   4.922
  251   2HG1  ILE  60          2HG1      ILE  60   1.807  -3.112   6.564
  252   1HG2  ILE  60          1HG2      ILE  60   1.332  -1.822   3.291
  253   2HG2  ILE  60          2HG2      ILE  60  -0.376  -1.529   3.637
  254   3HG2  ILE  60          3HG2      ILE  60   0.796  -0.198   3.686
  255   1HD1  ILE  60          1HD1      ILE  60   0.319  -3.980   4.084
  256   2HD1  ILE  60          2HD1      ILE  60   1.092  -5.007   5.304
  257   3HD1  ILE  60          3HD1      ILE  60  -0.323  -4.032   5.748
  258    H    LEU  61           H        LEU  61  -0.132   0.437   7.500
  259    HA   LEU  61           HA       LEU  61  -1.085   2.705   6.195
  260   1HB   LEU  61          1HB       LEU  61  -2.116   1.516   8.131
  261   2HB   LEU  61          2HB       LEU  61  -0.895   2.179   9.195
  262    HG   LEU  61           HG       LEU  61  -1.694   4.477   8.693
  263   1HD1  LEU  61          1HD1      LEU  61  -3.933   4.709   7.600
  264   2HD1  LEU  61          2HD1      LEU  61  -2.721   4.062   6.486
  265   3HD1  LEU  61          3HD1      LEU  61  -3.898   2.969   7.228
  266   1HD2  LEU  61          1HD2      LEU  61  -3.806   2.523   9.706
  267   2HD2  LEU  61          2HD2      LEU  61  -2.502   3.244  10.672
  268   3HD2  LEU  61          3HD2      LEU  61  -3.782   4.275  10.004
  269    H    ASP  62           H        ASP  62   1.334   2.486   8.850
  270    HA   ASP  62           HA       ASP  62   2.000   5.234   8.829
  271   1HB   ASP  62          1HB       ASP  62   3.027   2.873  10.132
  272   2HB   ASP  62          2HB       ASP  62   4.388   3.734   9.417
  273    H    ILE  63           H        ILE  63   3.328   2.524   6.894
  274    HA   ILE  63           HA       ILE  63   5.345   4.165   5.618
  275    HB   ILE  63           HB       ILE  63   4.140   1.452   5.079
  276   1HG1  ILE  63          1HG1      ILE  63   7.051   2.263   5.335
  277   2HG1  ILE  63          2HG1      ILE  63   6.028   2.082   6.768
  278   1HG2  ILE  63          1HG2      ILE  63   4.339   2.162   2.833
  279   2HG2  ILE  63          2HG2      ILE  63   5.890   2.995   3.132
  280   3HG2  ILE  63          3HG2      ILE  63   5.800   1.238   3.172
  281   1HD1  ILE  63          1HD1      ILE  63   7.263   0.021   6.346
  282   2HD1  ILE  63          2HD1      ILE  63   5.515  -0.241   6.186
  283   3HD1  ILE  63          3HD1      ILE  63   6.539  -0.130   4.739
  284    H    ILE  64           H        ILE  64   1.939   3.519   4.752
  285    HA   ILE  64           HA       ILE  64   2.105   4.809   2.181
  286    HB   ILE  64           HB       ILE  64  -0.194   4.307   4.107
  287   1HG1  ILE  64          1HG1      ILE  64   0.253   2.923   1.464
  288   2HG1  ILE  64          2HG1      ILE  64   1.251   2.417   2.825
  289   1HG2  ILE  64          1HG2      ILE  64  -0.186   5.390   1.276
  290   2HG2  ILE  64          2HG2      ILE  64  -1.610   4.609   1.996
  291   3HG2  ILE  64          3HG2      ILE  64  -0.957   6.088   2.717
  292   1HD1  ILE  64          1HD1      ILE  64  -0.731   1.046   2.708
  293   2HD1  ILE  64          2HD1      ILE  64  -0.724   1.966   4.199
  294   3HD1  ILE  64          3HD1      ILE  64  -1.786   2.477   2.892
  295    H    LEU  65           H        LEU  65   1.275   5.968   5.444
  296    HA   LEU  65           HA       LEU  65   0.758   8.688   4.648
  297   1HB   LEU  65          1HB       LEU  65   1.465   7.398   7.301
  298   2HB   LEU  65          2HB       LEU  65   0.953   9.078   7.140
  299    HG   LEU  65           HG       LEU  65  -0.840   6.809   6.100
  300   1HD1  LEU  65          1HD1      LEU  65  -1.973   6.871   8.282
  301   2HD1  LEU  65          2HD1      LEU  65  -0.287   6.360   8.490
  302   3HD1  LEU  65          3HD1      LEU  65  -0.765   8.016   8.907
  303   1HD2  LEU  65          1HD2      LEU  65  -1.391   9.641   7.082
  304   2HD2  LEU  65          2HD2      LEU  65  -1.364   9.103   5.389
  305   3HD2  LEU  65          3HD2      LEU  65  -2.586   8.460   6.511
  306    H    ASN  66           H        ASN  66   3.664   7.016   5.796
  307    HA   ASN  66           HA       ASN  66   5.209   9.505   6.154
  308   1HB   ASN  66          1HB       ASN  66   5.782   6.552   6.662
  309   2HB   ASN  66          2HB       ASN  66   7.012   7.775   6.795
  310   1HD2  ASN  66          1HD2      ASN  66   3.789   6.973   8.023
  311   2HD2  ASN  66          2HD2      ASN  66   4.204   7.234   9.683
  312    H    GLY  67           H        GLY  67   5.142   6.665   4.027
  313   1HA   GLY  67          1HA       GLY  67   6.071   6.597   1.840
  314   2HA   GLY  67          2HA       GLY  67   7.331   7.744   2.321
  315    H    GLN  68           H        GLN  68   8.734   6.081   1.486
  316    HA   GLN  68           HA       GLN  68   9.911   4.404   3.520
  317   1HB   GLN  68          1HB       GLN  68   8.467   2.516   2.540
  318   2HB   GLN  68          2HB       GLN  68   8.731   3.201   0.966
  319   1HG   GLN  68          1HG       GLN  68   9.838   1.180   1.465
  320   2HG   GLN  68          2HG       GLN  68  10.968   2.439   0.911
  321   1HE2  GLN  68          1HE2      GLN  68   9.829   0.334   3.550
  322   2HE2  GLN  68          2HE2      GLN  68  11.328   0.464   4.445
  323    H    GLY  69           H        GLY  69  12.232   3.949   2.569
  324   1HA   GLY  69          1HA       GLY  69  13.650   6.040   1.906
  325   2HA   GLY  69          2HA       GLY  69  14.039   4.461   1.217
  326    H    GLY  70           H        GLY  70  12.777   3.950  -0.908
  327   1HA   GLY  70          1HA       GLY  70  13.036   6.248  -2.748
  328   2HA   GLY  70          2HA       GLY  70  12.901   4.538  -3.152
  329    H    MET  71           H        MET  71  10.630   6.056  -0.917
  330    HA   MET  71           HA       MET  71   8.491   6.059  -3.009
  331   1HB   MET  71          1HB       MET  71   8.536   4.000  -1.702
  332   2HB   MET  71          2HB       MET  71   8.528   4.934  -0.228
  333   1HG   MET  71          1HG       MET  71   6.340   5.745  -0.552
  334   2HG   MET  71          2HG       MET  71   6.196   5.035  -2.155
  335   1HE   MET  71          1HE       MET  71   3.888   3.270   0.750
  336   2HE   MET  71          2HE       MET  71   4.635   4.864   0.976
  337   3HE   MET  71          3HE       MET  71   3.859   4.458  -0.567
  338    HA   PRO  72           HA       PRO  72   7.770  10.071  -1.029
  339   1HB   PRO  72          1HB       PRO  72   5.381  10.760  -2.241
  340   2HB   PRO  72          2HB       PRO  72   6.979  10.880  -3.032
  341   1HG   PRO  72          1HG       PRO  72   4.954   8.658  -3.270
  342   2HG   PRO  72          2HG       PRO  72   5.859   9.455  -4.582
  343   1HD   PRO  72          1HD       PRO  72   6.601   7.066  -3.526
  344   2HD   PRO  72          2HD       PRO  72   7.837   8.266  -4.036
  345    H    GLY  73           H        GLY  73   6.248  11.017   0.518
  346   1HA   GLY  73          1HA       GLY  73   4.718   8.989   2.034
  347   2HA   GLY  73          2HA       GLY  73   5.479  10.470   2.661
  348    H    GLY  74           H        GLY  74   2.674   9.418   2.546
  349   1HA   GLY  74          1HA       GLY  74   0.632  10.487   2.745
  350   2HA   GLY  74          2HA       GLY  74   1.389  12.011   2.249
  351    H    ILE  75           H        ILE  75   1.736   9.152   0.290
  352    HA   ILE  75           HA       ILE  75   0.582  10.078  -2.122
  353    HB   ILE  75           HB       ILE  75   0.911   7.288  -0.927
  354   1HG1  ILE  75          1HG1      ILE  75   2.613   8.757  -2.985
  355   2HG1  ILE  75          2HG1      ILE  75   3.010   8.604  -1.266
  356   1HG2  ILE  75          1HG2      ILE  75   0.756   6.494  -3.335
  357   2HG2  ILE  75          2HG2      ILE  75  -0.749   7.059  -2.631
  358   3HG2  ILE  75          3HG2      ILE  75   0.154   8.102  -3.761
  359   1HD1  ILE  75          1HD1      ILE  75   4.208   6.803  -2.085
  360   2HD1  ILE  75          2HD1      ILE  75   2.668   6.006  -1.726
  361   3HD1  ILE  75          3HD1      ILE  75   3.055   6.507  -3.387
  362    H    ALA  76           H        ALA  76  -0.715   8.334   0.654
  363    HA   ALA  76           HA       ALA  76  -3.538   8.869  -0.054
  364   1HB   ALA  76          1HB       ALA  76  -3.644   6.384   1.075
  365   2HB   ALA  76          2HB       ALA  76  -3.516   6.630  -0.692
  366   3HB   ALA  76          3HB       ALA  76  -2.089   6.248   0.261
  367    H    LYS  77           H        LYS  77  -4.685   9.449   1.885
  368    HA   LYS  77           HA       LYS  77  -3.446   9.036   4.472
  369   1HB   LYS  77          1HB       LYS  77  -3.903  11.560   4.898
  370   2HB   LYS  77          2HB       LYS  77  -2.360  11.022   4.219
  371   1HG   LYS  77          1HG       LYS  77  -3.122  11.634   1.949
  372   2HG   LYS  77          2HG       LYS  77  -4.674  12.191   2.625
  373   1HD   LYS  77          1HD       LYS  77  -3.430  13.898   3.972
  374   2HD   LYS  77          2HD       LYS  77  -1.899  13.187   3.458
  375   1HE   LYS  77          1HE       LYS  77  -2.158  15.144   2.146
  376   2HE   LYS  77          2HE       LYS  77  -2.415  13.764   1.075
  377   1HZ   LYS  77          1HZ       LYS  77  -4.050  15.457   0.712
  378   2HZ   LYS  77          2HZ       LYS  77  -4.809  14.141   1.342
  379   3HZ   LYS  77          3HZ       LYS  77  -4.511  15.456   2.288
  380    H    GLY  78           H        GLY  78  -4.954   9.325   6.200
  381   1HA   GLY  78          1HA       GLY  78  -7.023   9.047   7.142
  382   2HA   GLY  78          2HA       GLY  78  -7.679  10.064   5.843
  383    H    ALA  79           H        ALA  79  -9.398   8.928   5.074
  384    HA   ALA  79           HA       ALA  79  -9.959   6.259   5.176
  385   1HB   ALA  79          1HB       ALA  79 -10.710   8.191   2.932
  386   2HB   ALA  79          2HB       ALA  79 -11.516   6.649   3.293
  387   3HB   ALA  79          3HB       ALA  79 -11.579   7.973   4.472
  388    H    GLU  80           H        GLU  80  -8.215   7.859   2.370
  389    HA   GLU  80           HA       GLU  80  -7.782   5.554   0.866
  390   1HB   GLU  80          1HB       GLU  80  -6.078   8.026   1.372
  391   2HB   GLU  80          2HB       GLU  80  -5.630   6.735   0.244
  392   1HG   GLU  80          1HG       GLU  80  -6.505   8.486  -1.034
  393   2HG   GLU  80          2HG       GLU  80  -7.625   7.132  -1.103
  394    H    ALA  81           H        ALA  81  -5.570   6.799   3.479
  395    HA   ALA  81           HA       ALA  81  -3.729   4.671   3.058
  396   1HB   ALA  81          1HB       ALA  81  -3.258   6.895   4.009
  397   2HB   ALA  81          2HB       ALA  81  -4.146   6.461   5.483
  398   3HB   ALA  81          3HB       ALA  81  -2.645   5.597   5.016
  399    H    GLU  82           H        GLU  82  -6.397   5.180   5.372
  400    HA   GLU  82           HA       GLU  82  -6.135   2.833   6.965
  401   1HB   GLU  82          1HB       GLU  82  -8.459   4.599   6.106
  402   2HB   GLU  82          2HB       GLU  82  -8.712   3.198   7.132
  403   1HG   GLU  82          1HG       GLU  82  -7.160   4.084   8.814
  404   2HG   GLU  82          2HG       GLU  82  -6.799   5.482   7.783
  405    H    ALA  83           H        ALA  83  -8.198   3.416   4.123
  406    HA   ALA  83           HA       ALA  83  -9.249   0.846   3.824
  407   1HB   ALA  83          1HB       ALA  83  -8.667   2.932   1.669
  408   2HB   ALA  83          2HB       ALA  83  -9.829   1.604   1.543
  409   3HB   ALA  83          3HB       ALA  83 -10.106   2.876   2.715
  410    H    VAL  84           H        VAL  84  -6.381   2.295   2.181
  411    HA   VAL  84           HA       VAL  84  -5.498   0.010   0.786
  412    HB   VAL  84           HB       VAL  84  -3.911   2.261   2.091
  413   1HG1  VAL  84          1HG1      VAL  84  -2.940   0.123   0.142
  414   2HG1  VAL  84          2HG1      VAL  84  -2.028   1.523   0.741
  415   3HG1  VAL  84          3HG1      VAL  84  -2.458   0.199   1.824
  416   1HG2  VAL  84          1HG2      VAL  84  -3.490   2.898  -0.290
  417   2HG2  VAL  84          2HG2      VAL  84  -4.671   1.672  -0.788
  418   3HG2  VAL  84          3HG2      VAL  84  -5.205   3.046   0.164
  419    H    ALA  85           H        ALA  85  -4.418   1.098   4.075
  420    HA   ALA  85           HA       ALA  85  -2.644  -1.013   4.573
  421   1HB   ALA  85          1HB       ALA  85  -4.374   0.537   6.548
  422   2HB   ALA  85          2HB       ALA  85  -2.932  -0.420   6.928
  423   3HB   ALA  85          3HB       ALA  85  -2.791   1.023   5.902
  424    H    ALA  86           H        ALA  86  -6.110  -0.784   5.549
  425    HA   ALA  86           HA       ALA  86  -6.305  -3.357   6.714
  426   1HB   ALA  86          1HB       ALA  86  -8.424  -1.693   5.284
  427   2HB   ALA  86          2HB       ALA  86  -8.740  -3.073   6.359
  428   3HB   ALA  86          3HB       ALA  86  -7.986  -1.600   7.002
  429    H    TRP  87           H        TRP  87  -7.092  -2.298   3.362
  430    HA   TRP  87           HA       TRP  87  -7.873  -4.860   2.394
  431   1HB   TRP  87          1HB       TRP  87  -8.469  -2.775   1.353
  432   2HB   TRP  87          2HB       TRP  87  -6.752  -2.414   1.064
  433    HD1  TRP  87           HD       TRP  87  -9.562  -4.509  -0.576
  434    HE1  TRP  87           1HE      TRP  87  -8.718  -5.283  -2.842
  435    HE3  TRP  87           3HE      TRP  87  -4.770  -2.701  -0.348
  436    HZ2  TRP  87           2HZ      TRP  87  -5.035  -5.288  -3.097
  437    HZ3  TRP  87           3HZ      TRP  87  -3.507  -2.615  -2.492
  438    HH2  TRP  87           HH       TRP  87  -4.450  -3.514  -4.567
  439    H    LEU  88           H        LEU  88  -4.675  -3.328   2.674
  440    HA   LEU  88           HA       LEU  88  -3.426  -5.437   1.103
  441   1HB   LEU  88          1HB       LEU  88  -2.514  -2.881   2.109
  442   2HB   LEU  88          2HB       LEU  88  -1.483  -4.148   2.780
  443    HG   LEU  88           HG       LEU  88  -1.380  -5.164   0.458
  444   1HD1  LEU  88          1HD1      LEU  88  -2.642  -2.588  -0.303
  445   2HD1  LEU  88          2HD1      LEU  88  -1.717  -3.594  -1.443
  446   3HD1  LEU  88          3HD1      LEU  88  -3.134  -4.297  -0.679
  447   1HD2  LEU  88          1HD2      LEU  88   0.458  -3.566   1.351
  448   2HD2  LEU  88          2HD2      LEU  88   0.223  -3.808  -0.410
  449   3HD2  LEU  88          3HD2      LEU  88  -0.386  -2.323   0.365
  450    H    ALA  89           H        ALA  89  -3.794  -4.709   4.509
  451    HA   ALA  89           HA       ALA  89  -2.442  -6.950   5.588
  452   1HB   ALA  89          1HB       ALA  89  -3.070  -5.219   6.971
  453   2HB   ALA  89          2HB       ALA  89  -4.815  -5.416   6.645
  454   3HB   ALA  89          3HB       ALA  89  -3.924  -6.673   7.535
  455    H    GLU  90           H        GLU  90  -5.792  -6.700   4.220
  456    HA   GLU  90           HA       GLU  90  -6.237  -9.486   4.909
  457   1HB   GLU  90          1HB       GLU  90  -8.390  -9.178   4.352
  458   2HB   GLU  90          2HB       GLU  90  -7.842  -7.556   4.809
  459   1HG   GLU  90          1HG       GLU  90  -9.034  -7.077   2.905
  460   2HG   GLU  90          2HG       GLU  90  -7.411  -7.302   2.241
  461    H    LYS  91           H        LYS  91  -4.318  -8.232   2.455
  462    HA   LYS  91           HA       LYS  91  -5.110  -9.874   0.253
  463   1HB   LYS  91          1HB       LYS  91  -3.763  -7.506   0.551
  464   2HB   LYS  91          2HB       LYS  91  -2.385  -8.546   0.503
  465   1HG   LYS  91          1HG       LYS  91  -3.009  -7.526  -1.690
  466   2HG   LYS  91          2HG       LYS  91  -2.961  -9.286  -1.774
  467   1HD   LYS  91          1HD       LYS  91  -4.962  -8.063  -2.889
  468   2HD   LYS  91          2HD       LYS  91  -5.331  -9.469  -1.888
  469   1HE   LYS  91          1HE       LYS  91  -5.811  -7.906   0.078
  470   2HE   LYS  91          2HE       LYS  91  -5.456  -6.552  -0.995
  471   1HZ   LYS  91          1HZ       LYS  91  -7.427  -7.612  -2.321
  472   2HZ   LYS  91          2HZ       LYS  91  -7.701  -8.405  -0.867
  473   3HZ   LYS  91          3HZ       LYS  91  -7.722  -6.810  -0.898
  474    H    LYS  92           H        LYS  92  -4.130 -11.271   2.715
  475    HA   LYS  92           HA       LYS  92  -1.290 -11.363   2.166
  476   1HB   LYS  92          1HB       LYS  92  -1.132 -11.123   4.443
  477   2HB   LYS  92          2HB       LYS  92  -2.519 -10.142   3.870
  478   1HG   LYS  92          1HG       LYS  92  -4.070 -11.812   4.760
  479   2HG   LYS  92          2HG       LYS  92  -2.763 -12.930   5.167
  480   1HD   LYS  92          1HD       LYS  92  -2.189 -11.885   7.102
  481   2HD   LYS  92          2HD       LYS  92  -2.373 -10.301   6.421
  482   1HE   LYS  92          1HE       LYS  92  -4.108 -10.296   7.976
  483   2HE   LYS  92          2HE       LYS  92  -4.985 -10.725   6.509
  484   1HZ   LYS  92          1HZ       LYS  92  -5.604 -12.152   8.268
  485   2HZ   LYS  92          2HZ       LYS  92  -4.780 -13.039   7.147
  486   3HZ   LYS  92          3HZ       LYS  92  -4.047 -12.605   8.561
  487    HHA  HEC  93           HHA      HEC  93   8.690  -0.162   0.327
  488    HHB  HEC  93           HHB      HEC  93   2.254  -0.047   0.721
  489    HHC  HEC  93           HHC      HEC  93   2.319   4.315  -4.011
  490    HHD  HEC  93           HHD      HEC  93   8.536   3.215  -5.011
  491   1HMA  HEC  93          1HMA      HEC  93   4.736  -1.857   3.267
  492   2HMA  HEC  93          2HMA      HEC  93   3.454  -0.662   3.035
  493   3HMA  HEC  93          3HMA      HEC  93   3.480  -2.151   2.052
  494   1HAA  HEC  93          1HAA      HEC  93   6.981  -1.845   3.061
  495   2HAA  HEC  93          2HAA      HEC  93   8.077  -0.641   2.486
  496   1HBA  HEC  93          1HBA      HEC  93   8.013  -2.099   0.327
  497   2HBA  HEC  93          2HBA      HEC  93   7.400  -3.377   1.375
  498   1HMB  HEC  93          1HMB      HEC  93   0.229  -0.223  -0.992
  499   2HMB  HEC  93          2HMB      HEC  93   0.080   0.834   0.418
  500   3HMB  HEC  93          3HMB      HEC  93  -0.825   1.174  -1.078
  501    HAB  HEC  93           HAB      HEC  93   0.408   4.221  -3.246
  502   1HBB  HEC  93          1HBB      HEC  93  -0.157   4.845  -0.993
  503   2HBB  HEC  93          2HBB      HEC  93  -1.622   4.528  -1.942
  504   3HBB  HEC  93          3HBB      HEC  93  -1.065   3.348  -0.744
  505   1HMC  HEC  93          1HMC      HEC  93   3.117   5.954  -5.545
  506   2HMC  HEC  93          2HMC      HEC  93   4.255   5.829  -6.882
  507   3HMC  HEC  93          3HMC      HEC  93   3.110   4.519  -6.582
  508    HAC  HEC  93           HAC      HEC  93   7.908   4.491  -6.524
  509   1HBC  HEC  93          1HBC      HEC  93   7.718   6.672  -5.710
  510   2HBC  HEC  93          2HBC      HEC  93   7.534   6.736  -7.466
  511   3HBC  HEC  93          3HBC      HEC  93   6.111   6.921  -6.416
  512   1HMD  HEC  93          1HMD      HEC  93  10.168   1.768  -5.159
  513   2HMD  HEC  93          2HMD      HEC  93  11.251   2.564  -3.991
  514   3HMD  HEC  93          3HMD      HEC  93  11.231   0.792  -4.157
  515   1HAD  HEC  93          1HAD      HEC  93  10.993  -0.642  -1.410
  516   2HAD  HEC  93          2HAD      HEC  93  10.651   0.310  -0.126
  517   1HBD  HEC  93          1HBD      HEC  93  12.585   1.326  -0.259
  518   2HBD  HEC  93          2HBD      HEC  93  11.669   2.346  -1.301
  Start of MODEL   18
    1   1H    VAL  22          1H        VAL  22 -14.779   3.927  -0.830
    2   2H    VAL  22          2H        VAL  22 -14.074   4.046   0.656
    3   3H    VAL  22          3H        VAL  22 -14.732   5.402  -0.058
    4    HA   VAL  22           HA       VAL  22 -13.161   5.163  -1.847
    5    HB   VAL  22           HB       VAL  22 -12.587   6.102   0.813
    6   1HG1  VAL  22          1HG1      VAL  22 -10.136   6.167   0.732
    7   2HG1  VAL  22          2HG1      VAL  22 -10.734   4.544   1.051
    8   3HG1  VAL  22          3HG1      VAL  22 -10.121   4.968  -0.571
    9   1HG2  VAL  22          1HG2      VAL  22 -11.350   6.804  -1.879
   10   2HG2  VAL  22          2HG2      VAL  22 -12.882   7.456  -1.252
   11   3HG2  VAL  22          3HG2      VAL  22 -11.359   7.817  -0.427
   12    H    ASP  23           H        ASP  23 -12.754   3.477  -2.993
   13    HA   ASP  23           HA       ASP  23 -12.754   0.922  -1.872
   14   1HB   ASP  23          1HB       ASP  23 -12.432   1.974  -4.698
   15   2HB   ASP  23          2HB       ASP  23 -12.655   0.266  -4.288
   16    H    ALA  24           H        ALA  24 -11.039   0.369  -0.713
   17    HA   ALA  24           HA       ALA  24  -8.508   1.213  -0.725
   18   1HB   ALA  24          1HB       ALA  24  -9.507  -0.313   0.940
   19   2HB   ALA  24          2HB       ALA  24  -9.308  -1.648  -0.211
   20   3HB   ALA  24          3HB       ALA  24  -7.878  -0.755   0.395
   21    H    GLU  25           H        GLU  25  -9.494  -1.739  -2.574
   22    HA   GLU  25           HA       GLU  25  -6.902  -2.081  -3.685
   23   1HB   GLU  25          1HB       GLU  25  -7.735  -3.771  -4.983
   24   2HB   GLU  25          2HB       GLU  25  -8.867  -3.770  -3.626
   25   1HG   GLU  25          1HG       GLU  25 -10.455  -2.451  -5.007
   26   2HG   GLU  25          2HG       GLU  25  -9.304  -2.557  -6.396
   27    H    ALA  26           H        ALA  26  -9.772  -0.253  -4.857
   28    HA   ALA  26           HA       ALA  26  -8.808   0.401  -7.414
   29   1HB   ALA  26          1HB       ALA  26 -10.432   2.110  -7.503
   30   2HB   ALA  26          2HB       ALA  26 -11.151   0.774  -6.578
   31   3HB   ALA  26          3HB       ALA  26 -10.532   2.231  -5.748
   32    H    VAL  27           H        VAL  27  -8.430   2.137  -4.297
   33    HA   VAL  27           HA       VAL  27  -6.782   4.331  -5.152
   34    HB   VAL  27           HB       VAL  27  -6.560   2.672  -2.597
   35   1HG1  VAL  27          1HG1      VAL  27  -4.497   3.962  -3.002
   36   2HG1  VAL  27          2HG1      VAL  27  -5.464   5.427  -3.272
   37   3HG1  VAL  27          3HG1      VAL  27  -5.424   4.657  -1.677
   38   1HG2  VAL  27          1HG2      VAL  27  -8.799   3.750  -2.871
   39   2HG2  VAL  27          2HG2      VAL  27  -7.861   4.448  -1.551
   40   3HG2  VAL  27          3HG2      VAL  27  -7.994   5.313  -3.098
   41    H    VAL  28           H        VAL  28  -5.690   0.973  -4.125
   42    HA   VAL  28           HA       VAL  28  -3.070   1.876  -4.779
   43    HB   VAL  28           HB       VAL  28  -4.269  -0.812  -4.097
   44   1HG1  VAL  28          1HG1      VAL  28  -1.429  -0.663  -3.391
   45   2HG1  VAL  28          2HG1      VAL  28  -2.337  -1.857  -4.303
   46   3HG1  VAL  28          3HG1      VAL  28  -1.722  -0.468  -5.132
   47   1HG2  VAL  28          1HG2      VAL  28  -2.744   0.261  -1.949
   48   2HG2  VAL  28          2HG2      VAL  28  -3.549   1.651  -2.623
   49   3HG2  VAL  28          3HG2      VAL  28  -4.513   0.253  -2.147
   50    H    GLN  29           H        GLN  29  -5.324  -0.079  -6.457
   51    HA   GLN  29           HA       GLN  29  -3.957  -0.662  -8.867
   52   1HB   GLN  29          1HB       GLN  29  -6.876  -0.391  -8.057
   53   2HB   GLN  29          2HB       GLN  29  -6.437  -0.928  -9.648
   54   1HG   GLN  29          1HG       GLN  29  -5.599  -2.315  -7.071
   55   2HG   GLN  29          2HG       GLN  29  -6.920  -2.809  -8.137
   56   1HE2  GLN  29          1HE2      GLN  29  -4.339  -4.240  -7.353
   57   2HE2  GLN  29          2HE2      GLN  29  -3.497  -4.480  -8.884
   58    H    GLN  30           H        GLN  30  -4.707   2.442  -7.663
   59    HA   GLN  30           HA       GLN  30  -3.928   3.398 -10.363
   60   1HB   GLN  30          1HB       GLN  30  -6.481   3.819  -9.209
   61   2HB   GLN  30          2HB       GLN  30  -5.621   5.340  -8.963
   62   1HG   GLN  30          1HG       GLN  30  -5.004   5.277 -11.431
   63   2HG   GLN  30          2HG       GLN  30  -5.970   3.798 -11.579
   64   1HE2  GLN  30          1HE2      GLN  30  -6.166   7.262 -10.640
   65   2HE2  GLN  30          2HE2      GLN  30  -7.854   7.440 -11.100
   66    H    LYS  31           H        LYS  31  -3.207   3.522  -7.016
   67    HA   LYS  31           HA       LYS  31  -1.564   5.987  -7.380
   68   1HB   LYS  31          1HB       LYS  31  -3.646   5.263  -5.489
   69   2HB   LYS  31          2HB       LYS  31  -2.183   5.533  -4.610
   70   1HG   LYS  31          1HG       LYS  31  -2.052   7.803  -5.450
   71   2HG   LYS  31          2HG       LYS  31  -3.220   7.443  -6.744
   72   1HD   LYS  31          1HD       LYS  31  -5.005   7.090  -5.105
   73   2HD   LYS  31          2HD       LYS  31  -3.892   7.436  -3.763
   74   1HE   LYS  31          1HE       LYS  31  -3.672   9.727  -4.379
   75   2HE   LYS  31          2HE       LYS  31  -4.332   9.452  -6.002
   76   1HZ   LYS  31          1HZ       LYS  31  -5.929  10.520  -4.546
   77   2HZ   LYS  31          2HZ       LYS  31  -6.486   9.058  -5.023
   78   3HZ   LYS  31          3HZ       LYS  31  -5.955   9.262  -3.518
   79    H    CYS  32           H        CYS  32  -1.354   2.572  -6.639
   80    HA   CYS  32           HA       CYS  32   1.458   3.043  -5.710
   81   1HB   CYS  32          1HB       CYS  32   0.087   0.495  -5.155
   82   2HB   CYS  32          2HB       CYS  32   1.357   1.252  -4.266
   83    H    ILE  33           H        ILE  33  -0.668   0.940  -7.694
   84    HA   ILE  33           HA       ILE  33   1.270  -0.756  -8.727
   85    HB   ILE  33           HB       ILE  33  -0.086  -0.911 -10.755
   86   1HG1  ILE  33          1HG1      ILE  33  -2.035   1.101  -9.603
   87   2HG1  ILE  33          2HG1      ILE  33  -0.827   1.540 -10.809
   88   1HG2  ILE  33          1HG2      ILE  33  -1.658  -1.005  -8.153
   89   2HG2  ILE  33          2HG2      ILE  33  -2.087  -1.839  -9.652
   90   3HG2  ILE  33          3HG2      ILE  33  -0.593  -2.258  -8.810
   91   1HD1  ILE  33          1HD1      ILE  33  -1.659  -0.204 -12.350
   92   2HD1  ILE  33          2HD1      ILE  33  -2.995  -0.535 -11.227
   93   3HD1  ILE  33          3HD1      ILE  33  -2.839   1.060 -11.983
   94    H    SER  34           H        SER  34   0.716   2.631  -9.560
   95    HA   SER  34           HA       SER  34   2.119   3.230 -11.718
   96   1HB   SER  34          1HB       SER  34   2.599   4.679  -9.103
   97   2HB   SER  34          2HB       SER  34   2.303   5.349 -10.722
   98    HG   SER  34           HG       SER  34   0.386   5.481  -9.488
   99    H    CYS  35           H        CYS  35   3.606   2.169  -8.633
  100    HA   CYS  35           HA       CYS  35   6.222   1.934 -10.070
  101   1HB   CYS  35          1HB       CYS  35   6.072   2.286  -7.067
  102   2HB   CYS  35          2HB       CYS  35   7.444   2.431  -8.146
  103    H    HIS  36           H        HIS  36   4.000   0.529  -7.622
  104    HA   HIS  36           HA       HIS  36   5.618  -1.824  -7.253
  105   1HB   HIS  36          1HB       HIS  36   2.848  -1.008  -6.392
  106   2HB   HIS  36          2HB       HIS  36   3.552  -2.579  -5.976
  107    HD1  HIS  36           1HD      HIS  36   5.739  -2.564  -4.328
  108    HD2  HIS  36           2HD      HIS  36   3.681   1.090  -4.899
  109    HE1  HIS  36           1HE      HIS  36   6.441  -1.010  -2.451
  110    H    GLY  37           H        GLY  37   3.533  -1.087  -9.864
  111   1HA   GLY  37          1HA       GLY  37   4.075  -2.505 -11.705
  112   2HA   GLY  37          2HA       GLY  37   3.761  -3.947 -10.740
  113    H    GLY  38           H        GLY  38   1.563  -4.476 -10.251
  114   1HA   GLY  38          1HA       GLY  38  -0.679  -3.070 -11.547
  115   2HA   GLY  38          2HA       GLY  38  -0.170  -4.573 -12.337
  116    H    ASP  39           H        ASP  39   0.260  -6.427 -10.647
  117    HA   ASP  39           HA       ASP  39  -2.029  -6.690  -8.836
  118   1HB   ASP  39          1HB       ASP  39   0.243  -8.553  -9.589
  119   2HB   ASP  39          2HB       ASP  39  -1.121  -8.974  -8.535
  120    H    LEU  40           H        LEU  40   0.690  -4.972  -8.447
  121    HA   LEU  40           HA       LEU  40   2.089  -4.342  -6.810
  122   1HB   LEU  40          1HB       LEU  40   0.149  -5.623  -4.830
  123   2HB   LEU  40          2HB       LEU  40   1.437  -4.480  -4.495
  124    HG   LEU  40           HG       LEU  40  -0.586  -3.320  -4.391
  125   1HD1  LEU  40          1HD1      LEU  40   1.163  -1.993  -5.335
  126   2HD1  LEU  40          2HD1      LEU  40   0.866  -2.609  -6.983
  127   3HD1  LEU  40          3HD1      LEU  40  -0.318  -1.591  -6.214
  128   1HD2  LEU  40          1HD2      LEU  40  -2.274  -3.147  -6.039
  129   2HD2  LEU  40          2HD2      LEU  40  -1.344  -4.038  -7.222
  130   3HD2  LEU  40          3HD2      LEU  40  -1.958  -4.869  -5.765
  131    H    THR  41           H        THR  41   2.360  -6.852  -8.176
  132    HA   THR  41           HA       THR  41   3.747  -8.704  -6.486
  133    HB   THR  41           HB       THR  41   4.287  -9.470  -8.973
  134    HG1  THR  41           1HG      THR  41   2.672  -8.553 -10.382
  135   1HG2  THR  41          1HG2      THR  41   2.677 -10.626  -7.533
  136   2HG2  THR  41          2HG2      THR  41   1.467  -9.359  -7.790
  137   3HG2  THR  41          3HG2      THR  41   1.956 -10.410  -9.138
  138    H    GLY  42           H        GLY  42   4.606  -5.588  -7.731
  139   1HA   GLY  42          1HA       GLY  42   6.484  -4.583  -6.919
  140   2HA   GLY  42          2HA       GLY  42   7.318  -6.130  -6.719
  141    H    ALA  43           H        ALA  43   6.601  -3.525  -8.925
  142    HA   ALA  43           HA       ALA  43   8.295  -4.744 -11.069
  143   1HB   ALA  43          1HB       ALA  43   6.387  -2.382 -11.128
  144   2HB   ALA  43          2HB       ALA  43   7.391  -2.941 -12.485
  145   3HB   ALA  43          3HB       ALA  43   6.135  -3.999 -11.815
  146    H    SER  44           H        SER  44   7.846  -1.321 -10.092
  147    HA   SER  44           HA       SER  44  10.780  -0.900 -10.262
  148   1HB   SER  44          1HB       SER  44   9.170   0.607 -11.491
  149   2HB   SER  44          2HB       SER  44   8.539   1.124  -9.912
  150    HG   SER  44           HG       SER  44  10.799   1.635  -9.410
  151    H    ALA  45           H        ALA  45   8.771  -2.001  -7.928
  152    HA   ALA  45           HA       ALA  45  10.248  -0.884  -5.669
  153   1HB   ALA  45          1HB       ALA  45   8.086  -0.351  -4.524
  154   2HB   ALA  45          2HB       ALA  45   8.281   0.643  -5.979
  155   3HB   ALA  45          3HB       ALA  45   7.210  -0.757  -6.009
  156    HA   PRO  46           HA       PRO  46   9.755  -5.174  -4.688
  157   1HB   PRO  46          1HB       PRO  46   9.305  -5.251  -1.939
  158   2HB   PRO  46          2HB       PRO  46  10.889  -4.962  -2.713
  159   1HG   PRO  46          1HG       PRO  46   8.943  -2.915  -1.652
  160   2HG   PRO  46          2HG       PRO  46  10.716  -2.994  -1.421
  161   1HD   PRO  46          1HD       PRO  46   9.585  -1.370  -3.284
  162   2HD   PRO  46          2HD       PRO  46  11.119  -2.215  -3.626
  163    H    ALA  47           H        ALA  47   8.242  -6.815  -3.977
  164    HA   ALA  47           HA       ALA  47   5.574  -6.259  -4.842
  165   1HB   ALA  47          1HB       ALA  47   5.181  -8.613  -4.340
  166   2HB   ALA  47          2HB       ALA  47   6.800  -8.466  -5.068
  167   3HB   ALA  47          3HB       ALA  47   6.642  -8.684  -3.329
  168    H    ILE  48           H        ILE  48   3.999  -5.305  -3.622
  169    HA   ILE  48           HA       ILE  48   4.172  -5.647  -0.653
  170    HB   ILE  48           HB       ILE  48   3.021  -3.576  -0.301
  171   1HG1  ILE  48          1HG1      ILE  48   3.164  -1.866  -2.239
  172   2HG1  ILE  48          2HG1      ILE  48   3.199  -3.251  -3.305
  173   1HG2  ILE  48          1HG2      ILE  48   5.602  -3.389  -1.887
  174   2HG2  ILE  48          2HG2      ILE  48   4.954  -2.153  -0.804
  175   3HG2  ILE  48          3HG2      ILE  48   5.433  -3.723  -0.153
  176   1HD1  ILE  48          1HD1      ILE  48   0.915  -2.227  -2.918
  177   2HD1  ILE  48          2HD1      ILE  48   0.923  -3.903  -2.335
  178   3HD1  ILE  48          3HD1      ILE  48   1.065  -2.560  -1.189
  179    H    ASP  49           H        ASP  49   2.395  -6.666  -3.366
  180    HA   ASP  49           HA       ASP  49  -0.193  -6.960  -2.465
  181   1HB   ASP  49          1HB       ASP  49   0.686  -7.903  -4.567
  182   2HB   ASP  49          2HB       ASP  49   1.622  -9.101  -3.672
  183    H    LYS  50           H        LYS  50   2.634  -8.861  -1.416
  184    HA   LYS  50           HA       LYS  50   0.943 -10.398   0.447
  185   1HB   LYS  50          1HB       LYS  50   2.567 -11.951   0.637
  186   2HB   LYS  50          2HB       LYS  50   2.711 -11.451  -1.044
  187   1HG   LYS  50          1HG       LYS  50   4.537 -10.732   1.300
  188   2HG   LYS  50          2HG       LYS  50   4.853 -11.846  -0.015
  189   1HD   LYS  50          1HD       LYS  50   4.586  -9.735  -1.585
  190   2HD   LYS  50          2HD       LYS  50   4.712  -8.805  -0.084
  191   1HE   LYS  50          1HE       LYS  50   6.941  -8.918  -0.916
  192   2HE   LYS  50          2HE       LYS  50   6.877 -10.067   0.416
  193   1HZ   LYS  50          1HZ       LYS  50   7.976 -10.943  -1.547
  194   2HZ   LYS  50          2HZ       LYS  50   6.628 -11.826  -1.217
  195   3HZ   LYS  50          3HZ       LYS  50   6.619 -10.739  -2.450
  196    H    ALA  51           H        ALA  51   2.114  -7.373   0.701
  197    HA   ALA  51           HA       ALA  51   3.951  -7.378   2.806
  198   1HB   ALA  51          1HB       ALA  51   3.337  -5.046   3.143
  199   2HB   ALA  51          2HB       ALA  51   3.434  -5.436   1.411
  200   3HB   ALA  51          3HB       ALA  51   1.851  -5.288   2.210
  201    H    GLY  52           H        GLY  52   0.346  -7.441   2.963
  202   1HA   GLY  52          1HA       GLY  52  -0.026  -7.120   5.709
  203   2HA   GLY  52          2HA       GLY  52  -1.014  -8.130   4.662
  204    H    ALA  53           H        ALA  53   1.341  -9.954   4.026
  205    HA   ALA  53           HA       ALA  53   1.084 -11.787   6.265
  206   1HB   ALA  53          1HB       ALA  53   1.455 -12.528   3.860
  207   2HB   ALA  53          2HB       ALA  53   3.096 -11.873   3.971
  208   3HB   ALA  53          3HB       ALA  53   2.600 -13.201   5.027
  209    H    ASN  54           H        ASN  54   3.562  -9.562   5.029
  210    HA   ASN  54           HA       ASN  54   5.635 -10.497   6.879
  211   1HB   ASN  54          1HB       ASN  54   5.525  -8.218   4.852
  212   2HB   ASN  54          2HB       ASN  54   6.934  -8.613   5.835
  213   1HD2  ASN  54          1HD2      ASN  54   8.437  -9.913   4.879
  214   2HD2  ASN  54          2HD2      ASN  54   8.085 -11.047   3.589
  215    H    TYR  55           H        TYR  55   3.478  -7.725   6.535
  216    HA   TYR  55           HA       TYR  55   4.481  -6.449   9.015
  217   1HB   TYR  55          1HB       TYR  55   3.657  -4.958   6.493
  218   2HB   TYR  55          2HB       TYR  55   4.408  -4.285   7.930
  219    HD1  TYR  55           1HD      TYR  55   5.155  -4.123   4.855
  220    HD2  TYR  55           2HD      TYR  55   6.730  -6.198   8.289
  221    HE1  TYR  55           1HE      TYR  55   7.371  -4.298   3.745
  222    HE2  TYR  55           2HE      TYR  55   8.899  -6.457   7.140
  223    HH   TYR  55           HH       TYR  55  10.158  -5.887   5.269
  224    H    SER  56           H        SER  56   2.801  -4.981   9.906
  225    HA   SER  56           HA       SER  56   0.057  -6.071   9.253
  226   1HB   SER  56          1HB       SER  56   0.928  -6.401  11.538
  227   2HB   SER  56          2HB       SER  56   0.907  -4.643  11.769
  228    HG   SER  56           HG       SER  56  -1.180  -4.753  12.002
  229    H    GLU  57           H        GLU  57  -1.763  -4.434   9.868
  230    HA   GLU  57           HA       GLU  57  -1.681  -2.568   7.714
  231   1HB   GLU  57          1HB       GLU  57  -3.810  -1.711   8.452
  232   2HB   GLU  57          2HB       GLU  57  -3.851  -3.440   8.291
  233   1HG   GLU  57          1HG       GLU  57  -4.506  -3.697  10.436
  234   2HG   GLU  57          2HG       GLU  57  -3.189  -2.703  11.061
  235    H    GLU  58           H        GLU  58  -1.143  -2.086  11.260
  236    HA   GLU  58           HA       GLU  58  -0.969   0.706  11.206
  237   1HB   GLU  58          1HB       GLU  58   0.605   0.443  13.130
  238   2HB   GLU  58          2HB       GLU  58  -0.975  -0.319  13.308
  239   1HG   GLU  58          1HG       GLU  58   1.336  -2.049  12.401
  240   2HG   GLU  58          2HG       GLU  58   1.243  -1.530  14.075
  241    H    GLU  59           H        GLU  59   1.612  -1.659  10.462
  242    HA   GLU  59           HA       GLU  59   3.700   0.267  10.104
  243   1HB   GLU  59          1HB       GLU  59   3.339  -2.547   8.973
  244   2HB   GLU  59          2HB       GLU  59   4.857  -1.653   8.993
  245   1HG   GLU  59          1HG       GLU  59   4.698  -1.542  11.518
  246   2HG   GLU  59          2HG       GLU  59   3.264  -2.581  11.424
  247    H    ILE  60           H        ILE  60   1.458  -1.365   7.877
  248    HA   ILE  60           HA       ILE  60   2.655  -0.283   5.489
  249    HB   ILE  60           HB       ILE  60  -0.096  -1.474   5.942
  250   1HG1  ILE  60          1HG1      ILE  60   2.394  -2.728   4.727
  251   2HG1  ILE  60          2HG1      ILE  60   1.933  -2.923   6.421
  252   1HG2  ILE  60          1HG2      ILE  60   1.215  -0.337   3.512
  253   2HG2  ILE  60          2HG2      ILE  60   0.451  -1.912   3.285
  254   3HG2  ILE  60          3HG2      ILE  60  -0.500  -0.566   3.910
  255   1HD1  ILE  60          1HD1      ILE  60  -0.271  -3.897   5.645
  256   2HD1  ILE  60          2HD1      ILE  60   0.471  -4.011   4.026
  257   3HD1  ILE  60          3HD1      ILE  60   1.190  -4.868   5.387
  258    H    LEU  61           H        LEU  61  -0.169   0.630   7.455
  259    HA   LEU  61           HA       LEU  61  -1.094   2.900   6.135
  260   1HB   LEU  61          1HB       LEU  61  -2.130   1.800   8.086
  261   2HB   LEU  61          2HB       LEU  61  -0.856   2.368   9.136
  262    HG   LEU  61           HG       LEU  61  -1.529   4.687   8.822
  263   1HD1  LEU  61          1HD1      LEU  61  -3.702   5.158   7.594
  264   2HD1  LEU  61          2HD1      LEU  61  -2.360   4.677   6.551
  265   3HD1  LEU  61          3HD1      LEU  61  -3.622   3.496   6.966
  266   1HD2  LEU  61          1HD2      LEU  61  -2.602   3.354  10.598
  267   2HD2  LEU  61          2HD2      LEU  61  -3.717   4.569   9.946
  268   3HD2  LEU  61          3HD2      LEU  61  -3.885   2.866   9.470
  269    H    ASP  62           H        ASP  62   1.356   2.703   8.776
  270    HA   ASP  62           HA       ASP  62   1.942   5.484   8.695
  271   1HB   ASP  62          1HB       ASP  62   2.991   3.200  10.125
  272   2HB   ASP  62          2HB       ASP  62   4.346   4.087   9.436
  273    H    ILE  63           H        ILE  63   3.359   2.724   6.893
  274    HA   ILE  63           HA       ILE  63   5.402   4.334   5.658
  275    HB   ILE  63           HB       ILE  63   4.193   1.619   5.129
  276   1HG1  ILE  63          1HG1      ILE  63   7.029   2.680   5.529
  277   2HG1  ILE  63          2HG1      ILE  63   5.989   1.961   6.770
  278   1HG2  ILE  63          1HG2      ILE  63   4.283   2.406   2.859
  279   2HG2  ILE  63          2HG2      ILE  63   5.937   3.045   3.089
  280   3HG2  ILE  63          3HG2      ILE  63   5.609   1.305   3.134
  281   1HD1  ILE  63          1HD1      ILE  63   7.260   0.580   4.384
  282   2HD1  ILE  63          2HD1      ILE  63   7.526   0.273   6.099
  283   3HD1  ILE  63          3HD1      ILE  63   5.971  -0.171   5.363
  284    H    ILE  64           H        ILE  64   2.065   3.585   4.602
  285    HA   ILE  64           HA       ILE  64   2.274   4.858   2.054
  286    HB   ILE  64           HB       ILE  64  -0.074   4.437   3.941
  287   1HG1  ILE  64          1HG1      ILE  64   0.457   2.969   1.358
  288   2HG1  ILE  64          2HG1      ILE  64   1.350   2.473   2.791
  289   1HG2  ILE  64          1HG2      ILE  64  -0.019   5.347   1.036
  290   2HG2  ILE  64          2HG2      ILE  64  -1.468   4.718   1.850
  291   3HG2  ILE  64          3HG2      ILE  64  -0.716   6.207   2.425
  292   1HD1  ILE  64          1HD1      ILE  64  -0.674   1.166   2.564
  293   2HD1  ILE  64          2HD1      ILE  64  -0.734   2.120   4.047
  294   3HD1  ILE  64          3HD1      ILE  64  -1.684   2.630   2.652
  295    H    LEU  65           H        LEU  65   1.292   6.096   5.255
  296    HA   LEU  65           HA       LEU  65   0.781   8.777   4.384
  297   1HB   LEU  65          1HB       LEU  65   1.526   7.611   7.083
  298   2HB   LEU  65          2HB       LEU  65   0.961   9.266   6.844
  299    HG   LEU  65           HG       LEU  65  -0.774   6.910   5.942
  300   1HD1  LEU  65          1HD1      LEU  65  -1.886   7.050   8.146
  301   2HD1  LEU  65          2HD1      LEU  65  -0.192   6.559   8.343
  302   3HD1  LEU  65          3HD1      LEU  65  -0.676   8.224   8.704
  303   1HD2  LEU  65          1HD2      LEU  65  -1.420   9.717   6.889
  304   2HD2  LEU  65          2HD2      LEU  65  -1.297   9.202   5.187
  305   3HD2  LEU  65          3HD2      LEU  65  -2.554   8.512   6.242
  306    H    ASN  66           H        ASN  66   3.697   7.192   5.639
  307    HA   ASN  66           HA       ASN  66   5.150   9.729   5.998
  308   1HB   ASN  66          1HB       ASN  66   5.765   6.804   6.605
  309   2HB   ASN  66          2HB       ASN  66   6.980   8.036   6.732
  310   1HD2  ASN  66          1HD2      ASN  66   3.704   7.297   7.833
  311   2HD2  ASN  66          2HD2      ASN  66   3.978   7.650   9.499
  312    H    GLY  67           H        GLY  67   5.587   6.674   4.191
  313   1HA   GLY  67          1HA       GLY  67   6.679   6.820   1.925
  314   2HA   GLY  67          2HA       GLY  67   7.917   7.804   2.741
  315    H    GLN  68           H        GLN  68   9.306   6.027   2.017
  316    HA   GLN  68           HA       GLN  68   9.850   4.112   4.142
  317   1HB   GLN  68          1HB       GLN  68   8.858   2.189   3.006
  318   2HB   GLN  68          2HB       GLN  68   8.444   3.266   1.734
  319   1HG   GLN  68          1HG       GLN  68   9.620   1.666   0.873
  320   2HG   GLN  68          2HG       GLN  68  10.806   2.939   0.795
  321   1HE2  GLN  68          1HE2      GLN  68   9.755   0.244   3.072
  322   2HE2  GLN  68          2HE2      GLN  68  11.365  -0.332   3.333
  323    H    GLY  69           H        GLY  69  12.209   3.235   3.484
  324   1HA   GLY  69          1HA       GLY  69  13.894   5.437   2.775
  325   2HA   GLY  69          2HA       GLY  69  14.350   3.743   2.978
  326    H    GLY  70           H        GLY  70  12.693   5.883   0.704
  327   1HA   GLY  70          1HA       GLY  70  13.923   5.910  -1.613
  328   2HA   GLY  70          2HA       GLY  70  13.413   4.217  -1.656
  329    H    MET  71           H        MET  71  10.896   5.454   0.026
  330    HA   MET  71           HA       MET  71   9.308   5.941  -2.451
  331   1HB   MET  71          1HB       MET  71   8.900   3.815  -1.244
  332   2HB   MET  71          2HB       MET  71   8.572   4.747   0.215
  333   1HG   MET  71          1HG       MET  71   6.645   5.810  -0.817
  334   2HG   MET  71          2HG       MET  71   6.883   4.886  -2.301
  335   1HE   MET  71          1HE       MET  71   4.782   5.211   0.703
  336   2HE   MET  71          2HE       MET  71   4.092   4.870  -0.908
  337   3HE   MET  71          3HE       MET  71   3.843   3.730   0.433
  338    HA   PRO  72           HA       PRO  72   9.023   9.927  -0.568
  339   1HB   PRO  72          1HB       PRO  72   7.025  11.138  -2.024
  340   2HB   PRO  72          2HB       PRO  72   8.645  10.756  -2.677
  341   1HG   PRO  72          1HG       PRO  72   6.115   9.125  -2.943
  342   2HG   PRO  72          2HG       PRO  72   7.256   9.587  -4.237
  343   1HD   PRO  72          1HD       PRO  72   7.395   7.150  -3.064
  344   2HD   PRO  72          2HD       PRO  72   8.892   8.039  -3.474
  345    H    GLY  73           H        GLY  73   5.900   8.226  -0.831
  346   1HA   GLY  73          1HA       GLY  73   4.388   7.832   0.891
  347   2HA   GLY  73          2HA       GLY  73   5.277   8.944   1.939
  348    H    GLY  74           H        GLY  74   2.695   9.061   2.051
  349   1HA   GLY  74          1HA       GLY  74   1.102  10.744   2.277
  350   2HA   GLY  74          2HA       GLY  74   2.115  11.847   1.333
  351    H    ILE  75           H        ILE  75   1.944   9.107  -0.457
  352    HA   ILE  75           HA       ILE  75   0.454  10.027  -2.615
  353    HB   ILE  75           HB       ILE  75   1.235   7.273  -1.597
  354   1HG1  ILE  75          1HG1      ILE  75   2.510   8.543  -4.001
  355   2HG1  ILE  75          2HG1      ILE  75   2.902   9.285  -2.452
  356   1HG2  ILE  75          1HG2      ILE  75  -0.570   6.869  -3.172
  357   2HG2  ILE  75          2HG2      ILE  75   0.163   7.980  -4.356
  358   3HG2  ILE  75          3HG2      ILE  75   0.973   6.462  -3.924
  359   1HD1  ILE  75          1HD1      ILE  75   3.713   7.207  -1.538
  360   2HD1  ILE  75          2HD1      ILE  75   3.176   6.317  -2.974
  361   3HD1  ILE  75          3HD1      ILE  75   4.499   7.480  -3.109
  362    H    ALA  76           H        ALA  76  -0.618   8.375   0.328
  363    HA   ALA  76           HA       ALA  76  -3.426   8.844  -0.390
  364   1HB   ALA  76          1HB       ALA  76  -2.133   6.160   0.155
  365   2HB   ALA  76          2HB       ALA  76  -3.768   6.446   0.744
  366   3HB   ALA  76          3HB       ALA  76  -3.410   6.567  -0.990
  367    H    LYS  77           H        LYS  77  -4.513   9.541   1.490
  368    HA   LYS  77           HA       LYS  77  -3.175   9.420   4.102
  369   1HB   LYS  77          1HB       LYS  77  -3.807  11.901   2.474
  370   2HB   LYS  77          2HB       LYS  77  -3.871  11.972   4.229
  371   1HG   LYS  77          1HG       LYS  77  -1.382  10.761   3.093
  372   2HG   LYS  77          2HG       LYS  77  -1.607  12.454   2.723
  373   1HD   LYS  77          1HD       LYS  77  -1.985  11.494   5.572
  374   2HD   LYS  77          2HD       LYS  77  -0.343  11.658   4.918
  375   1HE   LYS  77          1HE       LYS  77  -0.757  14.023   4.368
  376   2HE   LYS  77          2HE       LYS  77  -2.428  13.895   4.946
  377   1HZ   LYS  77          1HZ       LYS  77  -1.572  13.460   7.144
  378   2HZ   LYS  77          2HZ       LYS  77  -0.016  13.528   6.608
  379   3HZ   LYS  77          3HZ       LYS  77  -0.959  14.873   6.573
  380    H    GLY  78           H        GLY  78  -4.655   9.805   5.843
  381   1HA   GLY  78          1HA       GLY  78  -6.645   9.474   6.918
  382   2HA   GLY  78          2HA       GLY  78  -7.385  10.423   5.615
  383    H    ALA  79           H        ALA  79  -9.194   9.224   5.209
  384    HA   ALA  79           HA       ALA  79  -9.757   6.593   5.312
  385   1HB   ALA  79          1HB       ALA  79 -11.383   8.345   4.674
  386   2HB   ALA  79          2HB       ALA  79 -10.637   8.457   3.061
  387   3HB   ALA  79          3HB       ALA  79 -11.446   6.960   3.566
  388    H    GLU  80           H        GLU  80  -8.038   8.178   2.625
  389    HA   GLU  80           HA       GLU  80  -7.888   6.014   0.829
  390   1HB   GLU  80          1HB       GLU  80  -6.982   8.655   0.915
  391   2HB   GLU  80          2HB       GLU  80  -5.492   7.753   1.051
  392   1HG   GLU  80          1HG       GLU  80  -5.560   7.788  -1.206
  393   2HG   GLU  80          2HG       GLU  80  -6.702   6.449  -1.059
  394    H    ALA  81           H        ALA  81  -5.469   7.016   3.344
  395    HA   ALA  81           HA       ALA  81  -3.765   4.771   2.786
  396   1HB   ALA  81          1HB       ALA  81  -2.432   5.599   4.575
  397   2HB   ALA  81          2HB       ALA  81  -3.053   7.003   3.718
  398   3HB   ALA  81          3HB       ALA  81  -3.789   6.536   5.262
  399    H    GLU  82           H        GLU  82  -6.257   5.502   5.231
  400    HA   GLU  82           HA       GLU  82  -5.946   3.253   6.940
  401   1HB   GLU  82          1HB       GLU  82  -8.373   4.892   6.098
  402   2HB   GLU  82          2HB       GLU  82  -8.422   3.681   7.377
  403   1HG   GLU  82          1HG       GLU  82  -6.872   4.902   8.738
  404   2HG   GLU  82          2HG       GLU  82  -6.472   6.025   7.430
  405    H    ALA  83           H        ALA  83  -8.185   3.720   4.176
  406    HA   ALA  83           HA       ALA  83  -9.245   1.117   4.115
  407   1HB   ALA  83          1HB       ALA  83  -9.963   1.679   1.837
  408   2HB   ALA  83          2HB       ALA  83 -10.202   3.053   2.917
  409   3HB   ALA  83          3HB       ALA  83  -8.828   3.042   1.784
  410    H    VAL  84           H        VAL  84  -6.459   2.526   2.269
  411    HA   VAL  84           HA       VAL  84  -5.685   0.214   0.942
  412    HB   VAL  84           HB       VAL  84  -3.906   2.387   2.106
  413   1HG1  VAL  84          1HG1      VAL  84  -3.186   0.070   0.255
  414   2HG1  VAL  84          2HG1      VAL  84  -2.152   1.459   0.656
  415   3HG1  VAL  84          3HG1      VAL  84  -2.565   0.287   1.891
  416   1HG2  VAL  84          1HG2      VAL  84  -5.138   3.275   0.227
  417   2HG2  VAL  84          2HG2      VAL  84  -3.536   2.829  -0.376
  418   3HG2  VAL  84          3HG2      VAL  84  -4.944   1.783  -0.676
  419    H    ALA  85           H        ALA  85  -4.423   1.289   4.146
  420    HA   ALA  85           HA       ALA  85  -2.689  -0.862   4.628
  421   1HB   ALA  85          1HB       ALA  85  -2.742   1.243   5.863
  422   2HB   ALA  85          2HB       ALA  85  -4.283   0.797   6.628
  423   3HB   ALA  85          3HB       ALA  85  -2.823  -0.160   6.947
  424    H    ALA  86           H        ALA  86  -6.109  -0.505   5.742
  425    HA   ALA  86           HA       ALA  86  -6.273  -3.007   7.074
  426   1HB   ALA  86          1HB       ALA  86  -7.941  -1.232   7.332
  427   2HB   ALA  86          2HB       ALA  86  -8.448  -1.415   5.639
  428   3HB   ALA  86          3HB       ALA  86  -8.720  -2.735   6.799
  429    H    TRP  87           H        TRP  87  -7.287  -2.137   3.735
  430    HA   TRP  87           HA       TRP  87  -8.007  -4.712   2.815
  431   1HB   TRP  87          1HB       TRP  87  -8.598  -2.779   1.628
  432   2HB   TRP  87          2HB       TRP  87  -6.921  -2.222   1.578
  433    HD1  TRP  87           HD       TRP  87  -9.062  -4.841  -0.275
  434    HE1  TRP  87           1HE      TRP  87  -7.737  -5.627  -2.310
  435    HE3  TRP  87           3HE      TRP  87  -5.129  -1.642   0.086
  436    HZ2  TRP  87           2HZ      TRP  87  -4.910  -5.024  -3.383
  437    HZ3  TRP  87           3HZ      TRP  87  -3.361  -1.668  -1.558
  438    HH2  TRP  87           HH       TRP  87  -3.274  -3.400  -3.292
  439    H    LEU  88           H        LEU  88  -4.807  -3.141   2.988
  440    HA   LEU  88           HA       LEU  88  -3.516  -5.316   1.656
  441   1HB   LEU  88          1HB       LEU  88  -2.725  -2.686   2.498
  442   2HB   LEU  88          2HB       LEU  88  -1.583  -3.809   3.192
  443    HG   LEU  88           HG       LEU  88  -1.236  -2.836   0.707
  444   1HD1  LEU  88          1HD1      LEU  88  -0.709  -5.456   0.044
  445   2HD1  LEU  88          2HD1      LEU  88   0.381  -4.361   0.930
  446   3HD1  LEU  88          3HD1      LEU  88  -0.636  -5.536   1.816
  447   1HD2  LEU  88          1HD2      LEU  88  -2.976  -4.944  -0.261
  448   2HD2  LEU  88          2HD2      LEU  88  -3.395  -3.309   0.232
  449   3HD2  LEU  88          3HD2      LEU  88  -2.122  -3.600  -1.028
  450    H    ALA  89           H        ALA  89  -3.924  -4.639   5.039
  451    HA   ALA  89           HA       ALA  89  -2.492  -6.966   5.981
  452   1HB   ALA  89          1HB       ALA  89  -3.963  -6.792   7.973
  453   2HB   ALA  89          2HB       ALA  89  -3.096  -5.313   7.540
  454   3HB   ALA  89          3HB       ALA  89  -4.839  -5.466   7.174
  455    H    GLU  90           H        GLU  90  -5.655  -6.510   4.458
  456    HA   GLU  90           HA       GLU  90  -6.390  -9.324   4.821
  457   1HB   GLU  90          1HB       GLU  90  -7.900  -7.261   4.917
  458   2HB   GLU  90          2HB       GLU  90  -7.796  -7.225   3.153
  459   1HG   GLU  90          1HG       GLU  90  -8.705  -9.543   3.050
  460   2HG   GLU  90          2HG       GLU  90  -8.775  -9.589   4.820
  461    H    LYS  91           H        LYS  91  -4.418  -7.646   2.576
  462    HA   LYS  91           HA       LYS  91  -5.162  -9.155   0.191
  463   1HB   LYS  91          1HB       LYS  91  -4.526  -6.772   0.238
  464   2HB   LYS  91          2HB       LYS  91  -2.908  -7.216   0.785
  465   1HG   LYS  91          1HG       LYS  91  -3.115  -6.504  -1.604
  466   2HG   LYS  91          2HG       LYS  91  -2.286  -7.995  -1.349
  467   1HD   LYS  91          1HD       LYS  91  -5.229  -7.970  -2.102
  468   2HD   LYS  91          2HD       LYS  91  -3.941  -7.657  -3.283
  469   1HE   LYS  91          1HE       LYS  91  -2.840  -9.848  -2.186
  470   2HE   LYS  91          2HE       LYS  91  -4.520 -10.249  -1.836
  471   1HZ   LYS  91          1HZ       LYS  91  -3.070  -9.649  -4.315
  472   2HZ   LYS  91          2HZ       LYS  91  -3.749 -11.088  -3.938
  473   3HZ   LYS  91          3HZ       LYS  91  -4.731  -9.811  -4.367
  474    H    LYS  92           H        LYS  92  -3.536 -10.050   2.896
  475    HA   LYS  92           HA       LYS  92  -1.182 -11.375   1.666
  476   1HB   LYS  92          1HB       LYS  92  -0.526 -11.644   3.848
  477   2HB   LYS  92          2HB       LYS  92  -1.070 -10.001   3.444
  478   1HG   LYS  92          1HG       LYS  92  -2.128 -10.129   5.460
  479   2HG   LYS  92          2HG       LYS  92  -3.400 -10.957   4.584
  480   1HD   LYS  92          1HD       LYS  92  -1.277 -12.762   5.635
  481   2HD   LYS  92          2HD       LYS  92  -2.070 -11.761   6.846
  482   1HE   LYS  92          1HE       LYS  92  -3.260 -13.788   6.828
  483   2HE   LYS  92          2HE       LYS  92  -4.319 -12.587   6.078
  484   1HZ   LYS  92          1HZ       LYS  92  -4.010 -13.558   4.004
  485   2HZ   LYS  92          2HZ       LYS  92  -2.637 -14.242   4.330
  486   3HZ   LYS  92          3HZ       LYS  92  -4.039 -14.895   4.964
  487    HHA  HEC  93           HHA      HEC  93   8.686  -0.122   0.101
  488    HHB  HEC  93           HHB      HEC  93   2.249   0.146   0.676
  489    HHC  HEC  93           HHC      HEC  93   2.198   4.398  -4.137
  490    HHD  HEC  93           HHD      HEC  93   8.427   3.403  -5.167
  491   1HMA  HEC  93          1HMA      HEC  93   4.706  -1.860   3.040
  492   2HMA  HEC  93          2HMA      HEC  93   3.540  -0.529   3.008
  493   3HMA  HEC  93          3HMA      HEC  93   3.354  -1.912   1.901
  494   1HAA  HEC  93          1HAA      HEC  93   6.937  -1.618   2.997
  495   2HAA  HEC  93          2HAA      HEC  93   8.016  -0.428   2.359
  496   1HBA  HEC  93          1HBA      HEC  93   7.897  -2.065   0.281
  497   2HBA  HEC  93          2HBA      HEC  93   7.565  -3.271   1.529
  498   1HMB  HEC  93          1HMB      HEC  93   0.210  -0.090  -1.059
  499   2HMB  HEC  93          2HMB      HEC  93   0.082   0.919   0.388
  500   3HMB  HEC  93          3HMB      HEC  93  -0.857   1.302  -1.065
  501    HAB  HEC  93           HAB      HEC  93   0.247   4.159  -3.487
  502   1HBB  HEC  93          1HBB      HEC  93  -1.191   3.449  -0.913
  503   2HBB  HEC  93          2HBB      HEC  93  -0.426   4.980  -1.344
  504   3HBB  HEC  93          3HBB      HEC  93  -1.845   4.416  -2.246
  505   1HMC  HEC  93          1HMC      HEC  93   2.897   4.686  -6.613
  506   2HMC  HEC  93          2HMC      HEC  93   3.042   6.136  -5.597
  507   3HMC  HEC  93          3HMC      HEC  93   4.077   5.926  -7.014
  508    HAC  HEC  93           HAC      HEC  93   7.761   4.656  -6.681
  509   1HBC  HEC  93          1HBC      HEC  93   7.485   6.867  -7.555
  510   2HBC  HEC  93          2HBC      HEC  93   5.906   7.047  -6.774
  511   3HBC  HEC  93          3HBC      HEC  93   7.363   6.868  -5.786
  512   1HMD  HEC  93          1HMD      HEC  93  10.068   2.013  -5.357
  513   2HMD  HEC  93          2HMD      HEC  93  11.224   2.697  -4.184
  514   3HMD  HEC  93          3HMD      HEC  93  11.092   0.938  -4.434
  515   1HAD  HEC  93          1HAD      HEC  93  10.863  -0.562  -1.561
  516   2HAD  HEC  93          2HAD      HEC  93  10.715   0.544  -0.358
  517   1HBD  HEC  93          1HBD      HEC  93  12.733   1.276  -0.732
  518   2HBD  HEC  93          2HBD      HEC  93  11.900   2.336  -1.845
  Start of MODEL   19
    1   1H    VAL  22          1H        VAL  22 -14.695   4.197  -0.445
    2   2H    VAL  22          2H        VAL  22 -13.834   4.300   0.957
    3   3H    VAL  22          3H        VAL  22 -14.455   5.678   0.259
    4    HA   VAL  22           HA       VAL  22 -13.055   5.314  -1.659
    5    HB   VAL  22           HB       VAL  22 -11.589   5.481   1.011
    6   1HG1  VAL  22          1HG1      VAL  22  -9.949   4.812  -0.630
    7   2HG1  VAL  22          2HG1      VAL  22 -10.621   5.920  -1.851
    8   3HG1  VAL  22          3HG1      VAL  22  -9.794   6.560  -0.423
    9   1HG2  VAL  22          1HG2      VAL  22 -13.197   7.341   0.587
   10   2HG2  VAL  22          2HG2      VAL  22 -11.524   7.897   0.477
   11   3HG2  VAL  22          3HG2      VAL  22 -12.454   7.610  -1.006
   12    H    ASP  23           H        ASP  23 -12.980   3.494  -2.783
   13    HA   ASP  23           HA       ASP  23 -12.730   0.958  -1.716
   14   1HB   ASP  23          1HB       ASP  23 -12.460   1.914  -4.589
   15   2HB   ASP  23          2HB       ASP  23 -12.919   0.291  -4.053
   16    H    ALA  24           H        ALA  24 -10.919   0.372  -0.738
   17    HA   ALA  24           HA       ALA  24  -8.453   1.427  -0.861
   18   1HB   ALA  24          1HB       ALA  24  -9.201  -0.167   0.848
   19   2HB   ALA  24          2HB       ALA  24  -9.147  -1.474  -0.353
   20   3HB   ALA  24          3HB       ALA  24  -7.643  -0.646   0.138
   21    H    GLU  25           H        GLU  25  -9.404  -1.528  -2.734
   22    HA   GLU  25           HA       GLU  25  -6.859  -1.742  -3.972
   23   1HB   GLU  25          1HB       GLU  25  -7.666  -3.435  -5.242
   24   2HB   GLU  25          2HB       GLU  25  -8.809  -3.474  -3.899
   25   1HG   GLU  25          1HG       GLU  25 -10.404  -2.154  -5.304
   26   2HG   GLU  25          2HG       GLU  25  -9.224  -2.225  -6.666
   27    H    ALA  26           H        ALA  26  -9.777   0.192  -4.852
   28    HA   ALA  26           HA       ALA  26  -8.926   0.830  -7.488
   29   1HB   ALA  26          1HB       ALA  26 -10.640   2.589  -5.714
   30   2HB   ALA  26          2HB       ALA  26 -10.575   2.548  -7.479
   31   3HB   ALA  26          3HB       ALA  26 -11.246   1.160  -6.599
   32    H    VAL  27           H        VAL  27  -8.412   2.482  -4.359
   33    HA   VAL  27           HA       VAL  27  -6.611   4.631  -5.225
   34    HB   VAL  27           HB       VAL  27  -6.485   2.912  -2.701
   35   1HG1  VAL  27          1HG1      VAL  27  -5.340   5.654  -3.304
   36   2HG1  VAL  27          2HG1      VAL  27  -5.269   4.802  -1.749
   37   3HG1  VAL  27          3HG1      VAL  27  -4.398   4.153  -3.136
   38   1HG2  VAL  27          1HG2      VAL  27  -7.885   5.573  -3.175
   39   2HG2  VAL  27          2HG2      VAL  27  -8.688   4.020  -2.858
   40   3HG2  VAL  27          3HG2      VAL  27  -7.680   4.759  -1.609
   41    H    VAL  28           H        VAL  28  -5.721   1.213  -4.200
   42    HA   VAL  28           HA       VAL  28  -3.096   1.963  -4.863
   43    HB   VAL  28           HB       VAL  28  -4.389  -0.739  -4.397
   44   1HG1  VAL  28          1HG1      VAL  28  -1.468  -0.336  -3.835
   45   2HG1  VAL  28          2HG1      VAL  28  -2.357  -1.769  -4.196
   46   3HG1  VAL  28          3HG1      VAL  28  -1.994  -0.695  -5.512
   47   1HG2  VAL  28          1HG2      VAL  28  -4.593   0.104  -2.298
   48   2HG2  VAL  28          2HG2      VAL  28  -2.821   0.131  -2.168
   49   3HG2  VAL  28          3HG2      VAL  28  -3.675   1.559  -2.691
   50    H    GLN  29           H        GLN  29  -5.422   0.254  -6.707
   51    HA   GLN  29           HA       GLN  29  -3.973  -0.363  -9.062
   52   1HB   GLN  29          1HB       GLN  29  -6.932   0.010  -8.405
   53   2HB   GLN  29          2HB       GLN  29  -6.407  -0.568  -9.960
   54   1HG   GLN  29          1HG       GLN  29  -5.845  -1.961  -7.322
   55   2HG   GLN  29          2HG       GLN  29  -7.033  -2.434  -8.540
   56   1HE2  GLN  29          1HE2      GLN  29  -4.540  -3.807  -7.385
   57   2HE2  GLN  29          2HE2      GLN  29  -3.545  -4.152  -8.793
   58    H    GLN  30           H        GLN  30  -4.739   2.730  -7.854
   59    HA   GLN  30           HA       GLN  30  -3.825   3.759 -10.490
   60   1HB   GLN  30          1HB       GLN  30  -6.378   4.228  -9.323
   61   2HB   GLN  30          2HB       GLN  30  -5.465   5.705  -9.036
   62   1HG   GLN  30          1HG       GLN  30  -4.886   5.799 -11.469
   63   2HG   GLN  30          2HG       GLN  30  -5.722   4.258 -11.725
   64   1HE2  GLN  30          1HE2      GLN  30  -6.432   7.492 -10.249
   65   2HE2  GLN  30          2HE2      GLN  30  -8.035   7.597 -10.964
   66    H    LYS  31           H        LYS  31  -3.171   3.657  -7.144
   67    HA   LYS  31           HA       LYS  31  -1.515   6.140  -7.250
   68   1HB   LYS  31          1HB       LYS  31  -3.161   4.785  -5.075
   69   2HB   LYS  31          2HB       LYS  31  -1.923   5.868  -4.672
   70   1HG   LYS  31          1HG       LYS  31  -3.263   7.346  -6.618
   71   2HG   LYS  31          2HG       LYS  31  -4.562   6.491  -5.771
   72   1HD   LYS  31          1HD       LYS  31  -3.749   7.347  -3.605
   73   2HD   LYS  31          2HD       LYS  31  -2.310   8.037  -4.382
   74   1HE   LYS  31          1HE       LYS  31  -3.629   9.665  -5.592
   75   2HE   LYS  31          2HE       LYS  31  -5.142   8.963  -4.970
   76   1HZ   LYS  31          1HZ       LYS  31  -4.606   9.587  -2.830
   77   2HZ   LYS  31          2HZ       LYS  31  -3.065  10.022  -3.163
   78   3HZ   LYS  31          3HZ       LYS  31  -4.341  10.935  -3.719
   79    H    CYS  32           H        CYS  32  -1.318   2.666  -6.737
   80    HA   CYS  32           HA       CYS  32   1.461   3.037  -5.668
   81   1HB   CYS  32          1HB       CYS  32  -0.243   0.675  -5.198
   82   2HB   CYS  32          2HB       CYS  32   1.129   1.176  -4.242
   83    H    ILE  33           H        ILE  33  -0.676   0.966  -7.681
   84    HA   ILE  33           HA       ILE  33   1.240  -0.847  -8.571
   85    HB   ILE  33           HB       ILE  33  -0.065  -1.104 -10.595
   86   1HG1  ILE  33          1HG1      ILE  33  -1.920   1.132  -9.700
   87   2HG1  ILE  33          2HG1      ILE  33  -0.652   1.373 -10.901
   88   1HG2  ILE  33          1HG2      ILE  33  -1.821  -0.860  -8.121
   89   2HG2  ILE  33          2HG2      ILE  33  -2.123  -1.873  -9.542
   90   3HG2  ILE  33          3HG2      ILE  33  -0.740  -2.196  -8.496
   91   1HD1  ILE  33          1HD1      ILE  33  -2.955  -0.568 -11.209
   92   2HD1  ILE  33          2HD1      ILE  33  -2.664   0.944 -12.086
   93   3HD1  ILE  33          3HD1      ILE  33  -1.572  -0.427 -12.313
   94    H    SER  34           H        SER  34   0.838   2.528  -9.475
   95    HA   SER  34           HA       SER  34   2.300   3.069 -11.610
   96   1HB   SER  34          1HB       SER  34   2.796   4.481  -8.977
   97   2HB   SER  34          2HB       SER  34   2.566   5.174 -10.596
   98    HG   SER  34           HG       SER  34   0.643   5.384  -9.363
   99    H    CYS  35           H        CYS  35   3.688   2.001  -8.470
  100    HA   CYS  35           HA       CYS  35   6.323   1.669  -9.850
  101   1HB   CYS  35          1HB       CYS  35   6.175   2.118  -6.863
  102   2HB   CYS  35          2HB       CYS  35   7.531   2.248  -7.959
  103    H    HIS  36           H        HIS  36   4.012   0.363  -7.427
  104    HA   HIS  36           HA       HIS  36   5.627  -2.014  -6.998
  105   1HB   HIS  36          1HB       HIS  36   2.868  -1.148  -6.148
  106   2HB   HIS  36          2HB       HIS  36   3.586  -2.711  -5.701
  107    HD1  HIS  36           1HD      HIS  36   5.788  -2.648  -4.093
  108    HD2  HIS  36           2HD      HIS  36   3.664   0.965  -4.687
  109    HE1  HIS  36           1HE      HIS  36   6.475  -1.054  -2.228
  110    H    GLY  37           H        GLY  37   3.520  -1.242  -9.603
  111   1HA   GLY  37          1HA       GLY  37   3.103  -2.562 -11.417
  112   2HA   GLY  37          2HA       GLY  37   3.786  -3.976 -10.602
  113    H    GLY  38           H        GLY  38   1.462  -4.043 -12.153
  114   1HA   GLY  38          1HA       GLY  38  -0.972  -3.455 -11.460
  115   2HA   GLY  38          2HA       GLY  38  -0.622  -5.047 -12.131
  116    H    ASP  39           H        ASP  39   0.216  -6.656 -10.201
  117    HA   ASP  39           HA       ASP  39  -2.056  -6.657  -8.314
  118   1HB   ASP  39          1HB       ASP  39  -1.285  -8.606  -9.901
  119   2HB   ASP  39          2HB       ASP  39  -0.200  -8.993  -8.565
  120    H    LEU  40           H        LEU  40   0.782  -5.215  -8.148
  121    HA   LEU  40           HA       LEU  40   2.126  -4.450  -6.586
  122   1HB   LEU  40          1HB       LEU  40   0.358  -5.822  -4.511
  123   2HB   LEU  40          2HB       LEU  40   1.644  -4.679  -4.215
  124    HG   LEU  40           HG       LEU  40  -0.472  -3.593  -4.026
  125   1HD1  LEU  40          1HD1      LEU  40   0.953  -2.617  -6.540
  126   2HD1  LEU  40          2HD1      LEU  40  -0.042  -1.660  -5.458
  127   3HD1  LEU  40          3HD1      LEU  40   1.465  -2.329  -4.854
  128   1HD2  LEU  40          1HD2      LEU  40  -1.797  -4.981  -5.626
  129   2HD2  LEU  40          2HD2      LEU  40  -2.058  -3.241  -5.774
  130   3HD2  LEU  40          3HD2      LEU  40  -1.060  -4.046  -6.959
  131    H    THR  41           H        THR  41   2.571  -6.904  -7.987
  132    HA   THR  41           HA       THR  41   4.089  -8.735  -6.394
  133    HB   THR  41           HB       THR  41   4.759  -9.323  -8.895
  134    HG1  THR  41           1HG      THR  41   4.108  -7.412  -9.864
  135   1HG2  THR  41          1HG2      THR  41   3.177 -10.669  -7.644
  136   2HG2  THR  41          2HG2      THR  41   1.911  -9.442  -7.813
  137   3HG2  THR  41          3HG2      THR  41   2.479 -10.335  -9.242
  138    H    GLY  42           H        GLY  42   4.792  -5.547  -7.547
  139   1HA   GLY  42          1HA       GLY  42   6.619  -4.403  -6.826
  140   2HA   GLY  42          2HA       GLY  42   7.561  -5.887  -6.616
  141    H    ALA  43           H        ALA  43   6.862  -3.266  -8.768
  142    HA   ALA  43           HA       ALA  43   8.468  -4.532 -10.964
  143   1HB   ALA  43          1HB       ALA  43   7.562  -2.728 -12.378
  144   2HB   ALA  43          2HB       ALA  43   6.309  -3.795 -11.715
  145   3HB   ALA  43          3HB       ALA  43   6.540  -2.180 -11.032
  146    H    SER  44           H        SER  44   8.013  -1.158  -9.890
  147    HA   SER  44           HA       SER  44  10.958  -0.697  -9.965
  148   1HB   SER  44          1HB       SER  44   8.648   1.273  -9.837
  149   2HB   SER  44          2HB       SER  44  10.364   1.668 -10.018
  150    HG   SER  44           HG       SER  44   8.913   0.014 -11.822
  151    H    ALA  45           H        ALA  45   8.825  -1.807  -7.768
  152    HA   ALA  45           HA       ALA  45  10.137  -0.664  -5.397
  153   1HB   ALA  45          1HB       ALA  45   7.915  -0.212  -4.405
  154   2HB   ALA  45          2HB       ALA  45   8.122   0.756  -5.870
  155   3HB   ALA  45          3HB       ALA  45   7.125  -0.700  -5.914
  156    HA   PRO  46           HA       PRO  46   9.925  -4.967  -4.529
  157   1HB   PRO  46          1HB       PRO  46   9.373  -5.215  -1.834
  158   2HB   PRO  46          2HB       PRO  46  10.928  -4.604  -2.473
  159   1HG   PRO  46          1HG       PRO  46   8.530  -2.978  -1.589
  160   2HG   PRO  46          2HG       PRO  46  10.229  -2.793  -1.056
  161   1HD   PRO  46          1HD       PRO  46   9.220  -1.244  -3.022
  162   2HD   PRO  46          2HD       PRO  46  10.861  -1.920  -3.224
  163    H    ALA  47           H        ALA  47   8.545  -6.779  -3.845
  164    HA   ALA  47           HA       ALA  47   5.826  -6.513  -4.683
  165   1HB   ALA  47          1HB       ALA  47   7.216  -8.627  -4.824
  166   2HB   ALA  47          2HB       ALA  47   7.123  -8.757  -3.063
  167   3HB   ALA  47          3HB       ALA  47   5.644  -8.854  -4.038
  168    H    ILE  48           H        ILE  48   4.232  -5.600  -3.483
  169    HA   ILE  48           HA       ILE  48   4.384  -5.905  -0.518
  170    HB   ILE  48           HB       ILE  48   3.285  -3.822  -0.113
  171   1HG1  ILE  48          1HG1      ILE  48   3.347  -2.055  -1.994
  172   2HG1  ILE  48          2HG1      ILE  48   3.357  -3.414  -3.099
  173   1HG2  ILE  48          1HG2      ILE  48   5.794  -3.501  -1.782
  174   2HG2  ILE  48          2HG2      ILE  48   5.178  -2.378  -0.560
  175   3HG2  ILE  48          3HG2      ILE  48   5.718  -3.993  -0.080
  176   1HD1  ILE  48          1HD1      ILE  48   1.109  -4.087  -2.075
  177   2HD1  ILE  48          2HD1      ILE  48   1.305  -2.790  -0.884
  178   3HD1  ILE  48          3HD1      ILE  48   1.081  -2.391  -2.585
  179    H    ASP  49           H        ASP  49   2.842  -7.046  -3.201
  180    HA   ASP  49           HA       ASP  49   0.162  -7.254  -2.490
  181   1HB   ASP  49          1HB       ASP  49   0.241  -9.417  -3.628
  182   2HB   ASP  49          2HB       ASP  49   1.215  -8.242  -4.539
  183    H    LYS  50           H        LYS  50   2.932  -9.044  -1.251
  184    HA   LYS  50           HA       LYS  50   1.287 -10.494   0.738
  185   1HB   LYS  50          1HB       LYS  50   4.239 -10.676   0.023
  186   2HB   LYS  50          2HB       LYS  50   3.451 -11.704   1.227
  187   1HG   LYS  50          1HG       LYS  50   2.591 -11.552  -1.674
  188   2HG   LYS  50          2HG       LYS  50   3.746 -12.728  -1.087
  189   1HD   LYS  50          1HD       LYS  50   2.150 -13.931   0.123
  190   2HD   LYS  50          2HD       LYS  50   1.064 -12.558   0.304
  191   1HE   LYS  50          1HE       LYS  50   0.523 -12.588  -2.104
  192   2HE   LYS  50          2HE       LYS  50   1.562 -14.005  -2.334
  193   1HZ   LYS  50          1HZ       LYS  50  -0.771 -13.878  -0.529
  194   2HZ   LYS  50          2HZ       LYS  50  -0.821 -14.531  -2.036
  195   3HZ   LYS  50          3HZ       LYS  50   0.095 -15.213  -0.840
  196    H    ALA  51           H        ALA  51   2.328  -7.433   0.759
  197    HA   ALA  51           HA       ALA  51   3.896  -7.256   3.095
  198   1HB   ALA  51          1HB       ALA  51   1.941  -5.221   2.034
  199   2HB   ALA  51          2HB       ALA  51   3.294  -4.925   3.142
  200   3HB   ALA  51          3HB       ALA  51   3.614  -5.473   1.479
  201    H    GLY  52           H        GLY  52   0.262  -7.628   2.764
  202   1HA   GLY  52          1HA       GLY  52  -0.244  -7.187   5.522
  203   2HA   GLY  52          2HA       GLY  52  -1.175  -8.211   4.420
  204    H    ALA  53           H        ALA  53   1.171 -10.008   3.834
  205    HA   ALA  53           HA       ALA  53   1.021 -11.728   6.237
  206   1HB   ALA  53          1HB       ALA  53   2.671 -12.071   3.699
  207   2HB   ALA  53          2HB       ALA  53   2.448 -13.250   4.997
  208   3HB   ALA  53          3HB       ALA  53   1.067 -12.778   4.000
  209    H    ASN  54           H        ASN  54   3.433  -9.705   4.595
  210    HA   ASN  54           HA       ASN  54   5.578 -10.500   6.342
  211   1HB   ASN  54          1HB       ASN  54   5.397  -7.996   4.631
  212   2HB   ASN  54          2HB       ASN  54   6.865  -8.732   5.274
  213   1HD2  ASN  54          1HD2      ASN  54   6.246  -8.176   2.445
  214   2HD2  ASN  54          2HD2      ASN  54   6.282  -9.737   1.647
  215    H    TYR  55           H        TYR  55   3.276  -7.830   6.409
  216    HA   TYR  55           HA       TYR  55   4.323  -6.731   8.975
  217   1HB   TYR  55          1HB       TYR  55   3.473  -5.068   6.589
  218   2HB   TYR  55          2HB       TYR  55   4.150  -4.497   8.113
  219    HD1  TYR  55           1HD      TYR  55   4.965  -4.100   5.046
  220    HD2  TYR  55           2HD      TYR  55   6.568  -6.235   8.432
  221    HE1  TYR  55           1HE      TYR  55   7.230  -3.944   4.079
  222    HE2  TYR  55           2HE      TYR  55   8.821  -6.142   7.418
  223    HH   TYR  55           HH       TYR  55   9.453  -4.531   4.282
  224    H    SER  56           H        SER  56   2.547  -5.017   9.688
  225    HA   SER  56           HA       SER  56  -0.156  -6.224   9.202
  226   1HB   SER  56          1HB       SER  56   0.856  -4.764  11.653
  227   2HB   SER  56          2HB       SER  56  -0.718  -5.563  11.442
  228    HG   SER  56           HG       SER  56   0.759  -6.892  12.548
  229    H    GLU  57           H        GLU  57  -1.962  -4.641   9.603
  230    HA   GLU  57           HA       GLU  57  -1.877  -2.629   7.698
  231   1HB   GLU  57          1HB       GLU  57  -3.973  -1.787   8.853
  232   2HB   GLU  57          2HB       GLU  57  -4.004  -3.426   8.221
  233   1HG   GLU  57          1HG       GLU  57  -3.258  -3.070  11.129
  234   2HG   GLU  57          2HG       GLU  57  -4.931  -2.828  10.631
  235    H    GLU  58           H        GLU  58  -1.149  -2.271  11.237
  236    HA   GLU  58           HA       GLU  58  -1.027   0.551  11.195
  237   1HB   GLU  58          1HB       GLU  58   0.435   0.349  13.164
  238   2HB   GLU  58          2HB       GLU  58  -1.102  -0.501  13.294
  239   1HG   GLU  58          1HG       GLU  58   1.400  -2.062  12.554
  240   2HG   GLU  58          2HG       GLU  58   1.095  -1.563  14.204
  241    H    GLU  59           H        GLU  59   1.604  -1.792  10.592
  242    HA   GLU  59           HA       GLU  59   3.725   0.046  10.159
  243   1HB   GLU  59          1HB       GLU  59   3.119  -2.708   9.000
  244   2HB   GLU  59          2HB       GLU  59   4.672  -1.909   8.795
  245   1HG   GLU  59          1HG       GLU  59   3.510  -2.531  11.548
  246   2HG   GLU  59          2HG       GLU  59   4.566  -3.623  10.646
  247    H    ILE  60           H        ILE  60   1.393  -1.457   7.951
  248    HA   ILE  60           HA       ILE  60   2.516  -0.373   5.541
  249    HB   ILE  60           HB       ILE  60  -0.207  -1.534   6.174
  250   1HG1  ILE  60          1HG1      ILE  60   2.119  -2.799   4.664
  251   2HG1  ILE  60          2HG1      ILE  60   1.889  -2.992   6.402
  252   1HG2  ILE  60          1HG2      ILE  60  -0.288  -1.882   3.607
  253   2HG2  ILE  60          2HG2      ILE  60  -0.611  -0.276   4.251
  254   3HG2  ILE  60          3HG2      ILE  60   0.970  -0.638   3.532
  255   1HD1  ILE  60          1HD1      ILE  60   0.944  -4.910   5.459
  256   2HD1  ILE  60          2HD1      ILE  60  -0.432  -3.906   5.936
  257   3HD1  ILE  60          3HD1      ILE  60   0.052  -4.011   4.225
  258    H    LEU  61           H        LEU  61  -0.284   0.565   7.542
  259    HA   LEU  61           HA       LEU  61  -1.218   2.820   6.204
  260   1HB   LEU  61          1HB       LEU  61  -2.257   1.771   8.153
  261   2HB   LEU  61          2HB       LEU  61  -0.958   2.286   9.203
  262    HG   LEU  61           HG       LEU  61  -1.558   4.612   8.992
  263   1HD1  LEU  61          1HD1      LEU  61  -2.265   4.814   6.702
  264   2HD1  LEU  61          2HD1      LEU  61  -3.557   3.618   6.937
  265   3HD1  LEU  61          3HD1      LEU  61  -3.671   5.224   7.690
  266   1HD2  LEU  61          1HD2      LEU  61  -3.786   4.557  10.018
  267   2HD2  LEU  61          2HD2      LEU  61  -4.044   2.904   9.421
  268   3HD2  LEU  61          3HD2      LEU  61  -2.786   3.228  10.634
  269    H    ASP  62           H        ASP  62   1.276   2.630   8.809
  270    HA   ASP  62           HA       ASP  62   1.766   5.447   8.739
  271   1HB   ASP  62          1HB       ASP  62   2.439   3.959  10.622
  272   2HB   ASP  62          2HB       ASP  62   3.732   3.298   9.607
  273    H    ILE  63           H        ILE  63   3.252   2.694   7.022
  274    HA   ILE  63           HA       ILE  63   5.355   4.249   5.808
  275    HB   ILE  63           HB       ILE  63   4.112   1.540   5.371
  276   1HG1  ILE  63          1HG1      ILE  63   6.972   2.529   5.784
  277   2HG1  ILE  63          2HG1      ILE  63   5.869   1.994   7.061
  278   1HG2  ILE  63          1HG2      ILE  63   4.299   2.194   3.077
  279   2HG2  ILE  63          2HG2      ILE  63   5.947   2.841   3.329
  280   3HG2  ILE  63          3HG2      ILE  63   5.615   1.104   3.457
  281   1HD1  ILE  63          1HD1      ILE  63   5.756  -0.266   5.893
  282   2HD1  ILE  63          2HD1      ILE  63   7.105   0.294   4.869
  283   3HD1  ILE  63          3HD1      ILE  63   7.319   0.170   6.615
  284    H    ILE  64           H        ILE  64   2.024   3.515   4.707
  285    HA   ILE  64           HA       ILE  64   2.253   4.818   2.167
  286    HB   ILE  64           HB       ILE  64  -0.102   4.405   4.042
  287   1HG1  ILE  64          1HG1      ILE  64   0.454   2.989   1.426
  288   2HG1  ILE  64          2HG1      ILE  64   1.264   2.439   2.895
  289   1HG2  ILE  64          1HG2      ILE  64  -1.504   4.807   1.974
  290   2HG2  ILE  64          2HG2      ILE  64  -0.704   6.251   2.589
  291   3HG2  ILE  64          3HG2      ILE  64  -0.044   5.415   1.170
  292   1HD1  ILE  64          1HD1      ILE  64  -0.776   1.186   2.563
  293   2HD1  ILE  64          2HD1      ILE  64  -0.885   2.143   4.045
  294   3HD1  ILE  64          3HD1      ILE  64  -1.749   2.675   2.599
  295    H    LEU  65           H        LEU  65   1.223   6.023   5.378
  296    HA   LEU  65           HA       LEU  65   0.755   8.706   4.512
  297   1HB   LEU  65          1HB       LEU  65   1.362   7.502   7.225
  298   2HB   LEU  65          2HB       LEU  65   0.881   9.182   6.998
  299    HG   LEU  65           HG       LEU  65  -0.909   6.888   6.038
  300   1HD1  LEU  65          1HD1      LEU  65  -0.452   6.636   8.477
  301   2HD1  LEU  65          2HD1      LEU  65  -0.902   8.332   8.733
  302   3HD1  LEU  65          3HD1      LEU  65  -2.118   7.165   8.175
  303   1HD2  LEU  65          1HD2      LEU  65  -1.372   9.105   5.114
  304   2HD2  LEU  65          2HD2      LEU  65  -2.644   8.590   6.239
  305   3HD2  LEU  65          3HD2      LEU  65  -1.445   9.796   6.753
  306    H    ASN  66           H        ASN  66   3.691   7.073   5.554
  307    HA   ASN  66           HA       ASN  66   5.173   9.617   5.923
  308   1HB   ASN  66          1HB       ASN  66   5.684   6.734   6.749
  309   2HB   ASN  66          2HB       ASN  66   6.910   7.962   6.847
  310   1HD2  ASN  66          1HD2      ASN  66   3.603   7.293   7.853
  311   2HD2  ASN  66          2HD2      ASN  66   3.829   7.749   9.499
  312    H    GLY  67           H        GLY  67   5.738   6.415   4.339
  313   1HA   GLY  67          1HA       GLY  67   6.682   6.631   1.986
  314   2HA   GLY  67          2HA       GLY  67   7.977   7.567   2.758
  315    H    GLN  68           H        GLN  68   9.134   5.703   1.692
  316    HA   GLN  68           HA       GLN  68  10.250   4.064   3.702
  317   1HB   GLN  68          1HB       GLN  68   8.434   2.288   3.058
  318   2HB   GLN  68          2HB       GLN  68   8.823   2.645   1.393
  319   1HG   GLN  68          1HG       GLN  68   9.773   0.600   2.092
  320   2HG   GLN  68          2HG       GLN  68  11.107   1.692   1.734
  321   1HE2  GLN  68          1HE2      GLN  68  10.737  -0.840   3.378
  322   2HE2  GLN  68          2HE2      GLN  68  11.507  -0.403   4.904
  323    H    GLY  69           H        GLY  69  12.453   4.237   3.048
  324   1HA   GLY  69          1HA       GLY  69  14.249   4.752   1.682
  325   2HA   GLY  69          2HA       GLY  69  13.566   3.476   0.671
  326    H    GLY  70           H        GLY  70  13.080   4.078  -1.457
  327   1HA   GLY  70          1HA       GLY  70  13.346   6.868  -2.256
  328   2HA   GLY  70          2HA       GLY  70  13.068   5.450  -3.270
  329    H    MET  71           H        MET  71  10.651   5.028  -1.167
  330    HA   MET  71           HA       MET  71   8.625   5.893  -2.974
  331   1HB   MET  71          1HB       MET  71   8.547   3.955  -1.395
  332   2HB   MET  71          2HB       MET  71   8.451   5.065  -0.060
  333   1HG   MET  71          1HG       MET  71   6.348   5.862  -0.594
  334   2HG   MET  71          2HG       MET  71   6.296   5.063  -2.165
  335   1HE   MET  71          1HE       MET  71   3.865   3.409   0.817
  336   2HE   MET  71          2HE       MET  71   4.619   5.005   1.005
  337   3HE   MET  71          3HE       MET  71   3.807   4.573  -0.522
  338    HA   PRO  72           HA       PRO  72   8.710  10.118  -1.485
  339   1HB   PRO  72          1HB       PRO  72   6.351  11.112  -2.550
  340   2HB   PRO  72          2HB       PRO  72   7.845  10.821  -3.486
  341   1HG   PRO  72          1HG       PRO  72   5.450   9.004  -3.218
  342   2HG   PRO  72          2HG       PRO  72   6.316   9.457  -4.710
  343   1HD   PRO  72          1HD       PRO  72   6.833   7.111  -3.486
  344   2HD   PRO  72          2HD       PRO  72   8.188   8.086  -4.147
  345    H    GLY  73           H        GLY  73   5.709   8.269  -1.033
  346   1HA   GLY  73          1HA       GLY  73   4.587   7.862   0.956
  347   2HA   GLY  73          2HA       GLY  73   5.689   8.959   1.796
  348    H    GLY  74           H        GLY  74   2.976   8.906   2.294
  349   1HA   GLY  74          1HA       GLY  74   1.195  10.322   2.615
  350   2HA   GLY  74          2HA       GLY  74   2.163  11.670   1.985
  351    H    ILE  75           H        ILE  75   1.834   8.779   0.098
  352    HA   ILE  75           HA       ILE  75   0.802  10.083  -2.215
  353    HB   ILE  75           HB       ILE  75   1.134   7.198  -1.336
  354   1HG1  ILE  75          1HG1      ILE  75   2.714   8.398  -3.582
  355   2HG1  ILE  75          2HG1      ILE  75   3.090   9.024  -1.976
  356   1HG2  ILE  75          1HG2      ILE  75   0.936   6.593  -3.772
  357   2HG2  ILE  75          2HG2      ILE  75  -0.579   7.072  -3.007
  358   3HG2  ILE  75          3HG2      ILE  75   0.279   8.213  -4.071
  359   1HD1  ILE  75          1HD1      ILE  75   3.624   6.872  -1.113
  360   2HD1  ILE  75          2HD1      ILE  75   2.940   6.058  -2.528
  361   3HD1  ILE  75          3HD1      ILE  75   4.444   6.979  -2.686
  362    H    ALA  76           H        ALA  76  -0.693   8.343   0.481
  363    HA   ALA  76           HA       ALA  76  -3.334   9.193  -0.423
  364   1HB   ALA  76          1HB       ALA  76  -3.356   6.853  -1.096
  365   2HB   ALA  76          2HB       ALA  76  -2.504   6.360   0.382
  366   3HB   ALA  76          3HB       ALA  76  -4.176   6.911   0.484
  367    H    LYS  77           H        LYS  77  -4.672   9.717   1.461
  368    HA   LYS  77           HA       LYS  77  -3.347   9.418   4.106
  369   1HB   LYS  77          1HB       LYS  77  -4.069  12.034   2.741
  370   2HB   LYS  77          2HB       LYS  77  -3.978  11.882   4.483
  371   1HG   LYS  77          1HG       LYS  77  -1.570  10.724   3.413
  372   2HG   LYS  77          2HG       LYS  77  -1.815  12.253   2.591
  373   1HD   LYS  77          1HD       LYS  77  -1.828  13.440   4.722
  374   2HD   LYS  77          2HD       LYS  77  -1.898  11.912   5.627
  375   1HE   LYS  77          1HE       LYS  77   0.330  11.252   4.683
  376   2HE   LYS  77          2HE       LYS  77   0.428  12.811   3.846
  377   1HZ   LYS  77          1HZ       LYS  77   0.464  13.871   6.000
  378   2HZ   LYS  77          2HZ       LYS  77   0.319  12.418   6.768
  379   3HZ   LYS  77          3HZ       LYS  77   1.662  12.745   5.888
  380    H    GLY  78           H        GLY  78  -4.621   9.746   5.935
  381   1HA   GLY  78          1HA       GLY  78  -6.485   9.377   7.201
  382   2HA   GLY  78          2HA       GLY  78  -7.375  10.312   5.984
  383    H    ALA  79           H        ALA  79  -9.184   9.044   5.866
  384    HA   ALA  79           HA       ALA  79  -9.651   6.413   5.986
  385   1HB   ALA  79          1HB       ALA  79 -11.397   8.105   5.642
  386   2HB   ALA  79          2HB       ALA  79 -10.903   8.291   3.942
  387   3HB   ALA  79          3HB       ALA  79 -11.588   6.753   4.508
  388    H    GLU  80           H        GLU  80  -8.242   8.046   3.191
  389    HA   GLU  80           HA       GLU  80  -8.335   5.979   1.258
  390   1HB   GLU  80          1HB       GLU  80  -7.689   8.554   1.210
  391   2HB   GLU  80          2HB       GLU  80  -6.084   7.964   1.630
  392   1HG   GLU  80          1HG       GLU  80  -6.174   6.573  -0.494
  393   2HG   GLU  80          2HG       GLU  80  -7.691   7.395  -0.882
  394    H    ALA  81           H        ALA  81  -5.674   6.897   3.564
  395    HA   ALA  81           HA       ALA  81  -4.006   4.680   2.764
  396   1HB   ALA  81          1HB       ALA  81  -3.136   6.842   3.619
  397   2HB   ALA  81          2HB       ALA  81  -3.836   6.485   5.211
  398   3HB   ALA  81          3HB       ALA  81  -2.550   5.452   4.538
  399    H    GLU  82           H        GLU  82  -6.271   5.374   5.447
  400    HA   GLU  82           HA       GLU  82  -5.781   3.060   7.031
  401   1HB   GLU  82          1HB       GLU  82  -8.316   4.678   6.580
  402   2HB   GLU  82          2HB       GLU  82  -8.097   3.499   7.877
  403   1HG   GLU  82          1HG       GLU  82  -6.335   4.793   8.891
  404   2HG   GLU  82          2HG       GLU  82  -6.249   5.913   7.531
  405    H    ALA  83           H        ALA  83  -8.167   3.617   4.405
  406    HA   ALA  83           HA       ALA  83  -9.253   1.019   4.306
  407   1HB   ALA  83          1HB       ALA  83  -8.889   3.017   2.028
  408   2HB   ALA  83          2HB       ALA  83  -9.975   1.615   2.033
  409   3HB   ALA  83          3HB       ALA  83 -10.260   2.944   3.158
  410    H    VAL  84           H        VAL  84  -6.500   2.437   2.404
  411    HA   VAL  84           HA       VAL  84  -5.746   0.110   1.050
  412    HB   VAL  84           HB       VAL  84  -3.943   2.265   2.190
  413   1HG1  VAL  84          1HG1      VAL  84  -2.240   1.391   0.666
  414   2HG1  VAL  84          2HG1      VAL  84  -2.629   0.149   1.849
  415   3HG1  VAL  84          3HG1      VAL  84  -3.286   0.042   0.209
  416   1HG2  VAL  84          1HG2      VAL  84  -3.672   2.882  -0.201
  417   2HG2  VAL  84          2HG2      VAL  84  -4.927   1.704  -0.629
  418   3HG2  VAL  84          3HG2      VAL  84  -5.345   3.116   0.351
  419    H    ALA  85           H        ALA  85  -4.551   1.161   4.291
  420    HA   ALA  85           HA       ALA  85  -2.828  -0.973   4.763
  421   1HB   ALA  85          1HB       ALA  85  -3.083  -0.386   7.129
  422   2HB   ALA  85          2HB       ALA  85  -2.967   1.064   6.107
  423   3HB   ALA  85          3HB       ALA  85  -4.534   0.565   6.776
  424    H    ALA  86           H        ALA  86  -6.262  -0.751   5.837
  425    HA   ALA  86           HA       ALA  86  -6.391  -3.359   6.963
  426   1HB   ALA  86          1HB       ALA  86  -8.837  -3.096   6.748
  427   2HB   ALA  86          2HB       ALA  86  -8.071  -1.624   7.382
  428   3HB   ALA  86          3HB       ALA  86  -8.602  -1.689   5.687
  429    H    TRP  87           H        TRP  87  -7.360  -2.234   3.685
  430    HA   TRP  87           HA       TRP  87  -8.158  -4.699   2.573
  431   1HB   TRP  87          1HB       TRP  87  -8.616  -2.727   1.427
  432   2HB   TRP  87          2HB       TRP  87  -6.944  -2.168   1.532
  433    HD1  TRP  87           HD       TRP  87  -9.009  -4.599  -0.614
  434    HE1  TRP  87           1HE      TRP  87  -7.642  -5.253  -2.653
  435    HE3  TRP  87           3HE      TRP  87  -4.866  -1.760   0.284
  436    HZ2  TRP  87           2HZ      TRP  87  -4.816  -4.793  -3.588
  437    HZ3  TRP  87           3HZ      TRP  87  -2.948  -1.814  -1.250
  438    HH2  TRP  87           HH       TRP  87  -2.945  -3.406  -3.155
  439    H    LEU  88           H        LEU  88  -4.871  -3.280   2.801
  440    HA   LEU  88           HA       LEU  88  -3.812  -5.452   1.277
  441   1HB   LEU  88          1HB       LEU  88  -2.987  -2.907   1.655
  442   2HB   LEU  88          2HB       LEU  88  -1.886  -3.716   2.743
  443    HG   LEU  88           HG       LEU  88  -1.311  -3.225   0.245
  444   1HD1  LEU  88          1HD1      LEU  88   0.390  -4.435   0.763
  445   2HD1  LEU  88          2HD1      LEU  88  -0.521  -5.416   1.956
  446   3HD1  LEU  88          3HD1      LEU  88  -0.475  -5.897   0.244
  447   1HD2  LEU  88          1HD2      LEU  88  -1.892  -4.648  -1.473
  448   2HD2  LEU  88          2HD2      LEU  88  -2.416  -5.958  -0.425
  449   3HD2  LEU  88          3HD2      LEU  88  -3.444  -4.582  -0.575
  450    H    ALA  89           H        ALA  89  -3.982  -4.797   4.617
  451    HA   ALA  89           HA       ALA  89  -2.511  -7.039   5.676
  452   1HB   ALA  89          1HB       ALA  89  -3.270  -5.294   7.131
  453   2HB   ALA  89          2HB       ALA  89  -4.973  -5.668   6.785
  454   3HB   ALA  89          3HB       ALA  89  -3.954  -6.847   7.629
  455    H    GLU  90           H        GLU  90  -5.820  -6.614   4.443
  456    HA   GLU  90           HA       GLU  90  -6.569  -9.366   4.771
  457   1HB   GLU  90          1HB       GLU  90  -8.031  -7.450   4.956
  458   2HB   GLU  90          2HB       GLU  90  -7.822  -7.045   3.269
  459   1HG   GLU  90          1HG       GLU  90  -8.806  -9.830   3.812
  460   2HG   GLU  90          2HG       GLU  90  -9.895  -8.507   4.251
  461    H    LYS  91           H        LYS  91  -4.708  -7.797   2.211
  462    HA   LYS  91           HA       LYS  91  -5.818  -9.346   0.039
  463   1HB   LYS  91          1HB       LYS  91  -4.573  -7.031   0.234
  464   2HB   LYS  91          2HB       LYS  91  -3.124  -7.973  -0.081
  465   1HG   LYS  91          1HG       LYS  91  -5.650  -7.938  -1.815
  466   2HG   LYS  91          2HG       LYS  91  -4.372  -6.757  -2.012
  467   1HD   LYS  91          1HD       LYS  91  -3.910  -9.740  -2.495
  468   2HD   LYS  91          2HD       LYS  91  -4.489  -8.609  -3.705
  469   1HE   LYS  91          1HE       LYS  91  -2.377  -7.186  -3.116
  470   2HE   LYS  91          2HE       LYS  91  -1.801  -8.669  -2.321
  471   1HZ   LYS  91          1HZ       LYS  91  -1.776  -9.727  -4.479
  472   2HZ   LYS  91          2HZ       LYS  91  -2.652  -8.605  -5.258
  473   3HZ   LYS  91          3HZ       LYS  91  -1.173  -8.237  -4.816
  474    H    LYS  92           H        LYS  92  -3.451  -9.941   2.354
  475    HA   LYS  92           HA       LYS  92  -1.220 -10.848   1.035
  476   1HB   LYS  92          1HB       LYS  92  -0.516 -11.485   3.142
  477   2HB   LYS  92          2HB       LYS  92  -1.409  -9.947   3.139
  478   1HG   LYS  92          1HG       LYS  92  -3.480 -11.207   3.959
  479   2HG   LYS  92          2HG       LYS  92  -2.526 -12.693   3.914
  480   1HD   LYS  92          1HD       LYS  92  -1.110 -11.861   5.739
  481   2HD   LYS  92          2HD       LYS  92  -2.046 -10.354   5.771
  482   1HE   LYS  92          1HE       LYS  92  -2.786 -11.897   7.529
  483   2HE   LYS  92          2HE       LYS  92  -4.074 -11.494   6.383
  484   1HZ   LYS  92          1HZ       LYS  92  -2.470 -13.963   6.285
  485   2HZ   LYS  92          2HZ       LYS  92  -3.997 -13.850   6.900
  486   3HZ   LYS  92          3HZ       LYS  92  -3.733 -13.582   5.300
  487    HHA  HEC  93           HHA      HEC  93   8.569  -0.125   0.428
  488    HHB  HEC  93           HHB      HEC  93   2.131   0.081   0.728
  489    HHC  HEC  93           HHC      HEC  93   2.264   4.325  -4.103
  490    HHD  HEC  93           HHD      HEC  93   8.522   3.307  -4.912
  491   1HMA  HEC  93          1HMA      HEC  93   3.101  -0.690   2.828
  492   2HMA  HEC  93          2HMA      HEC  93   3.587  -2.252   2.122
  493   3HMA  HEC  93          3HMA      HEC  93   4.531  -1.519   3.435
  494   1HAA  HEC  93          1HAA      HEC  93   6.770  -1.671   3.202
  495   2HAA  HEC  93          2HAA      HEC  93   7.905  -0.524   2.609
  496   1HBA  HEC  93          1HBA      HEC  93   7.998  -2.130   0.548
  497   2HBA  HEC  93          2HBA      HEC  93   7.260  -3.314   1.628
  498   1HMB  HEC  93          1HMB      HEC  93  -0.920   1.293  -1.123
  499   2HMB  HEC  93          2HMB      HEC  93   0.126  -0.117  -1.030
  500   3HMB  HEC  93          3HMB      HEC  93  -0.035   0.945   0.377
  501    HAB  HEC  93           HAB      HEC  93   0.336   4.278  -3.345
  502   1HBB  HEC  93          1HBB      HEC  93  -0.250   4.962  -1.121
  503   2HBB  HEC  93          2HBB      HEC  93  -1.709   4.622  -2.070
  504   3HBB  HEC  93          3HBB      HEC  93  -1.163   3.473  -0.836
  505   1HMC  HEC  93          1HMC      HEC  93   3.219   6.121  -5.463
  506   2HMC  HEC  93          2HMC      HEC  93   4.259   5.896  -6.877
  507   3HMC  HEC  93          3HMC      HEC  93   3.015   4.702  -6.510
  508    HAC  HEC  93           HAC      HEC  93   7.864   4.410  -6.561
  509   1HBC  HEC  93          1HBC      HEC  93   7.514   6.631  -7.605
  510   2HBC  HEC  93          2HBC      HEC  93   6.153   6.905  -6.497
  511   3HBC  HEC  93          3HBC      HEC  93   7.781   6.636  -5.858
  512   1HMD  HEC  93          1HMD      HEC  93  11.211   0.902  -3.981
  513   2HMD  HEC  93          2HMD      HEC  93  10.123   1.812  -5.017
  514   3HMD  HEC  93          3HMD      HEC  93  11.198   2.683  -3.894
  515   1HAD  HEC  93          1HAD      HEC  93  10.866  -0.556  -1.197
  516   2HAD  HEC  93          2HAD      HEC  93  10.463   0.465   0.055
  517   1HBD  HEC  93          1HBD      HEC  93  12.657   0.822  -0.057
  518   2HBD  HEC  93          2HBD      HEC  93  11.789   2.298  -0.467
  Start of MODEL   20
    1   1H    VAL  22          1H        VAL  22 -14.528   4.513  -0.270
    2   2H    VAL  22          2H        VAL  22 -13.570   4.661   1.064
    3   3H    VAL  22          3H        VAL  22 -14.326   6.002   0.427
    4    HA   VAL  22           HA       VAL  22 -13.074   5.719  -1.594
    5    HB   VAL  22           HB       VAL  22 -11.250   5.886   0.850
    6   1HG1  VAL  22          1HG1      VAL  22  -9.903   7.312  -0.711
    7   2HG1  VAL  22          2HG1      VAL  22  -9.994   5.622  -1.234
    8   3HG1  VAL  22          3HG1      VAL  22 -10.984   6.859  -2.037
    9   1HG2  VAL  22          1HG2      VAL  22 -11.560   8.350   0.596
   10   2HG2  VAL  22          2HG2      VAL  22 -12.828   8.057  -0.611
   11   3HG2  VAL  22          3HG2      VAL  22 -13.054   7.546   1.081
   12    H    ASP  23           H        ASP  23 -12.913   3.943  -2.731
   13    HA   ASP  23           HA       ASP  23 -12.901   1.478  -1.616
   14   1HB   ASP  23          1HB       ASP  23 -12.543   2.285  -4.520
   15   2HB   ASP  23          2HB       ASP  23 -13.148   0.730  -3.931
   16    H    ALA  24           H        ALA  24 -11.287   0.445  -0.727
   17    HA   ALA  24           HA       ALA  24  -8.761   1.341  -0.628
   18   1HB   ALA  24          1HB       ALA  24  -9.824  -0.219   0.978
   19   2HB   ALA  24          2HB       ALA  24  -9.556  -1.537  -0.184
   20   3HB   ALA  24          3HB       ALA  24  -8.167  -0.633   0.499
   21    H    GLU  25           H        GLU  25  -9.682  -1.571  -2.580
   22    HA   GLU  25           HA       GLU  25  -7.038  -1.871  -3.604
   23   1HB   GLU  25          1HB       GLU  25  -7.821  -3.529  -4.987
   24   2HB   GLU  25          2HB       GLU  25  -8.956  -3.598  -3.637
   25   1HG   GLU  25          1HG       GLU  25 -10.547  -2.209  -5.016
   26   2HG   GLU  25          2HG       GLU  25  -9.396  -2.361  -6.392
   27    H    ALA  26           H        ALA  26  -9.850   0.059  -4.698
   28    HA   ALA  26           HA       ALA  26  -8.885   0.683  -7.278
   29   1HB   ALA  26          1HB       ALA  26 -11.234   1.060  -6.427
   30   2HB   ALA  26          2HB       ALA  26 -10.614   2.517  -5.604
   31   3HB   ALA  26          3HB       ALA  26 -10.525   2.393  -7.362
   32    H    VAL  27           H        VAL  27  -8.400   2.342  -4.144
   33    HA   VAL  27           HA       VAL  27  -6.568   4.461  -4.996
   34    HB   VAL  27           HB       VAL  27  -6.447   2.741  -2.477
   35   1HG1  VAL  27          1HG1      VAL  27  -4.347   3.951  -2.913
   36   2HG1  VAL  27          2HG1      VAL  27  -5.263   5.458  -3.152
   37   3HG1  VAL  27          3HG1      VAL  27  -5.215   4.681  -1.562
   38   1HG2  VAL  27          1HG2      VAL  27  -7.790   5.439  -2.924
   39   2HG2  VAL  27          2HG2      VAL  27  -8.640   3.905  -2.643
   40   3HG2  VAL  27          3HG2      VAL  27  -7.621   4.588  -1.373
   41    H    VAL  28           H        VAL  28  -5.702   1.032  -3.980
   42    HA   VAL  28           HA       VAL  28  -3.084   1.791  -4.676
   43    HB   VAL  28           HB       VAL  28  -4.287  -0.932  -4.103
   44   1HG1  VAL  28          1HG1      VAL  28  -1.930  -0.920  -5.193
   45   2HG1  VAL  28          2HG1      VAL  28  -1.375  -0.292  -3.615
   46   3HG1  VAL  28          3HG1      VAL  28  -2.137  -1.831  -3.708
   47   1HG2  VAL  28          1HG2      VAL  28  -4.589   0.125  -2.087
   48   2HG2  VAL  28          2HG2      VAL  28  -2.822  -0.015  -1.889
   49   3HG2  VAL  28          3HG2      VAL  28  -3.509   1.465  -2.492
   50    H    GLN  29           H        GLN  29  -5.419   0.026  -6.428
   51    HA   GLN  29           HA       GLN  29  -3.979  -0.603  -8.803
   52   1HB   GLN  29          1HB       GLN  29  -6.928  -0.328  -8.093
   53   2HB   GLN  29          2HB       GLN  29  -6.420  -0.917  -9.646
   54   1HG   GLN  29          1HG       GLN  29  -5.743  -2.231  -6.991
   55   2HG   GLN  29          2HG       GLN  29  -6.910  -2.792  -8.191
   56   1HE2  GLN  29          1HE2      GLN  29  -3.992  -3.635  -7.044
   57   2HE2  GLN  29          2HE2      GLN  29  -3.179  -4.117  -8.528
   58    H    GLN  30           H        GLN  30  -4.717   2.474  -7.643
   59    HA   GLN  30           HA       GLN  30  -4.101   3.484 -10.389
   60   1HB   GLN  30          1HB       GLN  30  -6.402   4.036  -9.096
   61   2HB   GLN  30          2HB       GLN  30  -5.396   5.288  -8.367
   62   1HG   GLN  30          1HG       GLN  30  -4.745   6.062 -10.662
   63   2HG   GLN  30          2HG       GLN  30  -5.770   4.800 -11.366
   64   1HE2  GLN  30          1HE2      GLN  30  -8.125   4.845 -10.110
   65   2HE2  GLN  30          2HE2      GLN  30  -8.854   6.439 -10.208
   66    H    LYS  31           H        LYS  31  -3.298   3.625  -6.958
   67    HA   LYS  31           HA       LYS  31  -1.572   5.999  -7.316
   68   1HB   LYS  31          1HB       LYS  31  -3.155   4.747  -5.026
   69   2HB   LYS  31          2HB       LYS  31  -1.892   5.823  -4.687
   70   1HG   LYS  31          1HG       LYS  31  -3.215   7.315  -6.589
   71   2HG   LYS  31          2HG       LYS  31  -4.544   6.431  -5.814
   72   1HD   LYS  31          1HD       LYS  31  -3.790   7.220  -3.596
   73   2HD   LYS  31          2HD       LYS  31  -2.351   7.963  -4.318
   74   1HE   LYS  31          1HE       LYS  31  -3.683   9.599  -5.509
   75   2HE   LYS  31          2HE       LYS  31  -5.189   8.848  -4.930
   76   1HZ   LYS  31          1HZ       LYS  31  -4.688   9.406  -2.762
   77   2HZ   LYS  31          2HZ       LYS  31  -3.159   9.911  -3.070
   78   3HZ   LYS  31          3HZ       LYS  31  -4.466  10.792  -3.604
   79    H    CYS  32           H        CYS  32  -1.306   2.576  -6.691
   80    HA   CYS  32           HA       CYS  32   1.469   2.992  -5.618
   81   1HB   CYS  32          1HB       CYS  32  -0.271   0.646  -5.136
   82   2HB   CYS  32          2HB       CYS  32   1.114   1.126  -4.180
   83    H    ILE  33           H        ILE  33  -0.659   0.923  -7.606
   84    HA   ILE  33           HA       ILE  33   1.234  -0.890  -8.548
   85    HB   ILE  33           HB       ILE  33  -0.094  -1.039 -10.598
   86   1HG1  ILE  33          1HG1      ILE  33  -1.953   1.110  -9.520
   87   2HG1  ILE  33          2HG1      ILE  33  -0.701   1.455 -10.713
   88   1HG2  ILE  33          1HG2      ILE  33  -1.774  -0.957  -8.059
   89   2HG2  ILE  33          2HG2      ILE  33  -2.138  -1.877  -9.530
   90   3HG2  ILE  33          3HG2      ILE  33  -0.723  -2.271  -8.562
   91   1HD1  ILE  33          1HD1      ILE  33  -1.617  -0.241 -12.247
   92   2HD1  ILE  33          2HD1      ILE  33  -2.968  -0.514 -11.127
   93   3HD1  ILE  33          3HD1      ILE  33  -2.746   1.073 -11.887
   94    H    SER  34           H        SER  34   0.935   2.516  -9.325
   95    HA   SER  34           HA       SER  34   2.356   3.052 -11.525
   96   1HB   SER  34          1HB       SER  34   2.983   4.384  -8.882
   97   2HB   SER  34          2HB       SER  34   2.723   5.132 -10.465
   98    HG   SER  34           HG       SER  34   0.497   4.646 -10.231
   99    H    CYS  35           H        CYS  35   3.762   1.953  -8.396
  100    HA   CYS  35           HA       CYS  35   6.397   1.584  -9.785
  101   1HB   CYS  35          1HB       CYS  35   6.212   2.071  -6.804
  102   2HB   CYS  35          2HB       CYS  35   7.585   2.188  -7.878
  103    H    HIS  36           H        HIS  36   4.040   0.291  -7.415
  104    HA   HIS  36           HA       HIS  36   5.616  -2.109  -6.966
  105   1HB   HIS  36          1HB       HIS  36   2.837  -1.239  -6.153
  106   2HB   HIS  36          2HB       HIS  36   3.558  -2.793  -5.706
  107    HD1  HIS  36           1HD      HIS  36   5.808  -2.697  -4.136
  108    HD2  HIS  36           2HD      HIS  36   3.618   0.885  -4.671
  109    HE1  HIS  36           1HE      HIS  36   6.492  -1.108  -2.266
  110    H    GLY  37           H        GLY  37   3.591  -1.225  -9.600
  111   1HA   GLY  37          1HA       GLY  37   3.217  -2.471 -11.486
  112   2HA   GLY  37          2HA       GLY  37   3.781  -3.947 -10.686
  113    H    GLY  38           H        GLY  38   1.384  -3.668 -12.296
  114   1HA   GLY  38          1HA       GLY  38  -1.045  -3.125 -11.260
  115   2HA   GLY  38          2HA       GLY  38  -0.749  -4.519 -12.296
  116    H    ASP  39           H        ASP  39   0.216  -6.490 -11.063
  117    HA   ASP  39           HA       ASP  39  -1.632  -7.304  -9.090
  118   1HB   ASP  39          1HB       ASP  39   0.967  -8.594 -10.004
  119   2HB   ASP  39          2HB       ASP  39  -0.390  -9.408  -9.207
  120    H    LEU  40           H        LEU  40   0.995  -5.306  -8.592
  121    HA   LEU  40           HA       LEU  40   2.150  -4.589  -6.838
  122   1HB   LEU  40          1HB       LEU  40   0.274  -6.245  -5.130
  123   2HB   LEU  40          2HB       LEU  40   1.285  -4.909  -4.602
  124    HG   LEU  40           HG       LEU  40  -0.664  -4.411  -6.888
  125   1HD1  LEU  40          1HD1      LEU  40  -2.045  -5.535  -5.279
  126   2HD1  LEU  40          2HD1      LEU  40  -1.419  -4.503  -3.973
  127   3HD1  LEU  40          3HD1      LEU  40  -2.392  -3.797  -5.298
  128   1HD2  LEU  40          1HD2      LEU  40  -0.535  -2.191  -6.225
  129   2HD2  LEU  40          2HD2      LEU  40   0.104  -2.585  -4.620
  130   3HD2  LEU  40          3HD2      LEU  40   1.120  -2.753  -6.063
  131    H    THR  41           H        THR  41   2.854  -7.050  -8.284
  132    HA   THR  41           HA       THR  41   4.359  -8.762  -6.522
  133    HB   THR  41           HB       THR  41   5.103  -9.521  -8.917
  134    HG1  THR  41           1HG      THR  41   4.570  -7.671 -10.063
  135   1HG2  THR  41          1HG2      THR  41   2.148  -9.499  -8.121
  136   2HG2  THR  41          2HG2      THR  41   2.872 -10.546  -9.357
  137   3HG2  THR  41          3HG2      THR  41   3.359 -10.708  -7.657
  138    H    GLY  42           H        GLY  42   4.910  -5.586  -7.702
  139   1HA   GLY  42          1HA       GLY  42   6.694  -4.355  -6.994
  140   2HA   GLY  42          2HA       GLY  42   7.725  -5.784  -6.852
  141    H    ALA  43           H        ALA  43   7.156  -3.062  -8.782
  142    HA   ALA  43           HA       ALA  43   8.603  -4.307 -11.106
  143   1HB   ALA  43          1HB       ALA  43   7.654  -2.516 -12.481
  144   2HB   ALA  43          2HB       ALA  43   6.404  -3.562 -11.781
  145   3HB   ALA  43          3HB       ALA  43   6.679  -1.948 -11.109
  146    H    SER  44           H        SER  44   8.129  -1.000  -9.845
  147    HA   SER  44           HA       SER  44  11.080  -0.519  -9.924
  148   1HB   SER  44          1HB       SER  44   8.786   1.466  -9.756
  149   2HB   SER  44          2HB       SER  44  10.508   1.840  -9.923
  150    HG   SER  44           HG       SER  44   9.028   0.265 -11.776
  151    H    ALA  45           H        ALA  45   8.896  -1.695  -7.813
  152    HA   ALA  45           HA       ALA  45  10.155  -0.634  -5.367
  153   1HB   ALA  45          1HB       ALA  45   7.913  -0.269  -4.414
  154   2HB   ALA  45          2HB       ALA  45   8.110   0.745  -5.849
  155   3HB   ALA  45          3HB       ALA  45   7.156  -0.740  -5.944
  156    HA   PRO  46           HA       PRO  46   9.987  -4.983  -4.667
  157   1HB   PRO  46          1HB       PRO  46   9.434  -5.319  -1.988
  158   2HB   PRO  46          2HB       PRO  46  10.982  -4.663  -2.593
  159   1HG   PRO  46          1HG       PRO  46   8.555  -3.105  -1.668
  160   2HG   PRO  46          2HG       PRO  46  10.248  -2.910  -1.121
  161   1HD   PRO  46          1HD       PRO  46   9.220  -1.316  -3.042
  162   2HD   PRO  46          2HD       PRO  46  10.878  -1.947  -3.244
  163    H    ALA  47           H        ALA  47   8.590  -6.815  -4.048
  164    HA   ALA  47           HA       ALA  47   5.885  -6.519  -4.888
  165   1HB   ALA  47          1HB       ALA  47   5.656  -8.859  -4.183
  166   2HB   ALA  47          2HB       ALA  47   7.230  -8.674  -4.984
  167   3HB   ALA  47          3HB       ALA  47   7.143  -8.759  -3.221
  168    H    ILE  48           H        ILE  48   4.192  -5.760  -3.719
  169    HA   ILE  48           HA       ILE  48   4.297  -6.089  -0.770
  170    HB   ILE  48           HB       ILE  48   3.203  -4.018  -0.290
  171   1HG1  ILE  48          1HG1      ILE  48   3.308  -2.144  -1.954
  172   2HG1  ILE  48          2HG1      ILE  48   3.400  -3.366  -3.219
  173   1HG2  ILE  48          1HG2      ILE  48   5.704  -3.609  -1.934
  174   2HG2  ILE  48          2HG2      ILE  48   5.104  -2.591  -0.609
  175   3HG2  ILE  48          3HG2      ILE  48   5.659  -4.237  -0.271
  176   1HD1  ILE  48          1HD1      ILE  48   1.097  -2.402  -2.685
  177   2HD1  ILE  48          2HD1      ILE  48   1.124  -4.169  -2.467
  178   3HD1  ILE  48          3HD1      ILE  48   1.218  -3.082  -1.065
  179    H    ASP  49           H        ASP  49   2.879  -7.251  -3.472
  180    HA   ASP  49           HA       ASP  49   0.225  -7.542  -2.862
  181   1HB   ASP  49          1HB       ASP  49   0.298  -9.657  -3.987
  182   2HB   ASP  49          2HB       ASP  49   1.441  -8.590  -4.792
  183    H    LYS  50           H        LYS  50   2.921  -9.275  -1.343
  184    HA   LYS  50           HA       LYS  50   1.118 -10.544   0.649
  185   1HB   LYS  50          1HB       LYS  50   3.895 -11.100  -0.329
  186   2HB   LYS  50          2HB       LYS  50   3.611 -11.406   1.366
  187   1HG   LYS  50          1HG       LYS  50   3.064 -13.451   0.532
  188   2HG   LYS  50          2HG       LYS  50   1.493 -12.701   0.751
  189   1HD   LYS  50          1HD       LYS  50   1.464 -13.791  -1.355
  190   2HD   LYS  50          2HD       LYS  50   1.531 -12.059  -1.702
  191   1HE   LYS  50          1HE       LYS  50   3.914 -12.178  -2.228
  192   2HE   LYS  50          2HE       LYS  50   4.040 -13.825  -1.590
  193   1HZ   LYS  50          1HZ       LYS  50   2.554 -12.896  -3.929
  194   2HZ   LYS  50          2HZ       LYS  50   3.947 -13.767  -3.975
  195   3HZ   LYS  50          3HZ       LYS  50   2.559 -14.481  -3.421
  196    H    ALA  51           H        ALA  51   2.199  -7.522   0.545
  197    HA   ALA  51           HA       ALA  51   3.818  -7.166   2.787
  198   1HB   ALA  51          1HB       ALA  51   1.721  -5.377   1.588
  199   2HB   ALA  51          2HB       ALA  51   2.893  -4.848   2.814
  200   3HB   ALA  51          3HB       ALA  51   3.458  -5.476   1.241
  201    H    GLY  52           H        GLY  52   0.086  -7.357   2.794
  202   1HA   GLY  52          1HA       GLY  52  -0.220  -6.940   5.516
  203   2HA   GLY  52          2HA       GLY  52  -1.173  -8.021   4.501
  204    H    ALA  53           H        ALA  53   1.074  -9.868   3.904
  205    HA   ALA  53           HA       ALA  53   0.862 -11.583   6.245
  206   1HB   ALA  53          1HB       ALA  53   2.756 -11.891   3.878
  207   2HB   ALA  53          2HB       ALA  53   2.277 -13.119   5.049
  208   3HB   ALA  53          3HB       ALA  53   1.090 -12.498   3.899
  209    H    ASN  54           H        ASN  54   3.197  -9.254   5.003
  210    HA   ASN  54           HA       ASN  54   5.390 -10.271   6.728
  211   1HB   ASN  54          1HB       ASN  54   5.260  -8.113   4.580
  212   2HB   ASN  54          2HB       ASN  54   6.687  -8.472   5.554
  213   1HD2  ASN  54          1HD2      ASN  54   4.365 -10.050   3.245
  214   2HD2  ASN  54          2HD2      ASN  54   5.585 -11.168   2.651
  215    H    TYR  55           H        TYR  55   3.122  -7.580   6.476
  216    HA   TYR  55           HA       TYR  55   4.306  -6.238   8.848
  217   1HB   TYR  55          1HB       TYR  55   3.436  -4.835   6.289
  218   2HB   TYR  55          2HB       TYR  55   4.228  -4.109   7.678
  219    HD1  TYR  55           1HD      TYR  55   4.786  -4.938   4.385
  220    HD2  TYR  55           2HD      TYR  55   6.601  -5.441   8.263
  221    HE1  TYR  55           1HE      TYR  55   7.020  -5.067   3.320
  222    HE2  TYR  55           2HE      TYR  55   8.828  -5.634   7.184
  223    HH   TYR  55           HH       TYR  55   9.357  -4.936   3.759
  224    H    SER  56           H        SER  56   2.687  -5.089  10.103
  225    HA   SER  56           HA       SER  56  -0.039  -6.096   9.544
  226   1HB   SER  56          1HB       SER  56  -0.484  -4.861  11.771
  227   2HB   SER  56          2HB       SER  56   0.475  -6.339  11.771
  228    HG   SER  56           HG       SER  56   1.309  -4.384  12.949
  229    H    GLU  57           H        GLU  57  -1.876  -4.604   9.793
  230    HA   GLU  57           HA       GLU  57  -1.967  -2.705   7.741
  231   1HB   GLU  57          1HB       GLU  57  -4.023  -1.827   9.067
  232   2HB   GLU  57          2HB       GLU  57  -4.079  -3.415   8.329
  233   1HG   GLU  57          1HG       GLU  57  -3.326  -3.134  11.262
  234   2HG   GLU  57          2HG       GLU  57  -4.999  -3.133  10.708
  235    H    GLU  58           H        GLU  58  -1.496  -2.114  11.241
  236    HA   GLU  58           HA       GLU  58  -1.187   0.648  11.272
  237   1HB   GLU  58          1HB       GLU  58   0.217   0.244  13.293
  238   2HB   GLU  58          2HB       GLU  58  -1.269  -0.707  13.268
  239   1HG   GLU  58          1HG       GLU  58   0.182  -2.608  12.249
  240   2HG   GLU  58          2HG       GLU  58   1.572  -1.658  12.793
  241    H    GLU  59           H        GLU  59   1.442  -1.753  10.617
  242    HA   GLU  59           HA       GLU  59   3.491   0.185  10.224
  243   1HB   GLU  59          1HB       GLU  59   3.163  -2.672   9.186
  244   2HB   GLU  59          2HB       GLU  59   4.640  -1.728   9.032
  245   1HG   GLU  59          1HG       GLU  59   4.589  -1.453  11.589
  246   2HG   GLU  59          2HG       GLU  59   3.323  -2.696  11.592
  247    H    ILE  60           H        ILE  60   1.324  -1.475   7.947
  248    HA   ILE  60           HA       ILE  60   2.489  -0.377   5.561
  249    HB   ILE  60           HB       ILE  60  -0.265  -1.507   6.126
  250   1HG1  ILE  60          1HG1      ILE  60   2.024  -2.778   4.583
  251   2HG1  ILE  60          2HG1      ILE  60   1.858  -2.977   6.331
  252   1HG2  ILE  60          1HG2      ILE  60   1.007  -0.651   3.503
  253   2HG2  ILE  60          2HG2      ILE  60  -0.350  -1.791   3.573
  254   3HG2  ILE  60          3HG2      ILE  60  -0.554  -0.164   4.208
  255   1HD1  ILE  60          1HD1      ILE  60  -0.207  -3.877   4.289
  256   2HD1  ILE  60          2HD1      ILE  60   0.908  -4.878   5.227
  257   3HD1  ILE  60          3HD1      ILE  60  -0.371  -3.975   6.058
  258    H    LEU  61           H        LEU  61  -0.280   0.591   7.556
  259    HA   LEU  61           HA       LEU  61  -1.197   2.862   6.231
  260   1HB   LEU  61          1HB       LEU  61  -2.207   1.746   8.231
  261   2HB   LEU  61          2HB       LEU  61  -0.936   2.379   9.243
  262    HG   LEU  61           HG       LEU  61  -1.639   4.697   8.760
  263   1HD1  LEU  61          1HD1      LEU  61  -3.939   4.985   7.720
  264   2HD1  LEU  61          2HD1      LEU  61  -2.686   4.458   6.588
  265   3HD1  LEU  61          3HD1      LEU  61  -3.842   3.276   7.230
  266   1HD2  LEU  61          1HD2      LEU  61  -3.833   2.866   9.812
  267   2HD2  LEU  61          2HD2      LEU  61  -2.468   3.515  10.749
  268   3HD2  LEU  61          3HD2      LEU  61  -3.702   4.614  10.105
  269    H    ASP  62           H        ASP  62   1.276   2.598   8.840
  270    HA   ASP  62           HA       ASP  62   1.884   5.377   8.865
  271   1HB   ASP  62          1HB       ASP  62   2.585   3.818  10.657
  272   2HB   ASP  62          2HB       ASP  62   3.754   3.074   9.550
  273    H    ILE  63           H        ILE  63   3.285   2.655   7.031
  274    HA   ILE  63           HA       ILE  63   5.392   4.176   5.803
  275    HB   ILE  63           HB       ILE  63   4.012   1.539   5.285
  276   1HG1  ILE  63          1HG1      ILE  63   6.968   2.192   5.542
  277   2HG1  ILE  63          2HG1      ILE  63   5.913   2.004   6.951
  278   1HG2  ILE  63          1HG2      ILE  63   4.215   2.227   3.019
  279   2HG2  ILE  63          2HG2      ILE  63   5.864   2.866   3.278
  280   3HG2  ILE  63          3HG2      ILE  63   5.543   1.127   3.343
  281   1HD1  ILE  63          1HD1      ILE  63   6.442  -0.158   4.870
  282   2HD1  ILE  63          2HD1      ILE  63   7.063  -0.085   6.522
  283   3HD1  ILE  63          3HD1      ILE  63   5.323  -0.290   6.245
  284    H    ILE  64           H        ILE  64   2.030   3.538   4.728
  285    HA   ILE  64           HA       ILE  64   2.264   4.922   2.232
  286    HB   ILE  64           HB       ILE  64  -0.095   4.444   4.084
  287   1HG1  ILE  64          1HG1      ILE  64   0.497   3.088   1.437
  288   2HG1  ILE  64          2HG1      ILE  64   1.275   2.505   2.909
  289   1HG2  ILE  64          1HG2      ILE  64  -1.499   4.898   2.036
  290   2HG2  ILE  64          2HG2      ILE  64  -0.687   6.325   2.669
  291   3HG2  ILE  64          3HG2      ILE  64  -0.041   5.512   1.231
  292   1HD1  ILE  64          1HD1      ILE  64  -0.749   1.263   2.531
  293   2HD1  ILE  64          2HD1      ILE  64  -0.910   2.215   4.014
  294   3HD1  ILE  64          3HD1      ILE  64  -1.725   2.748   2.537
  295    H    LEU  65           H        LEU  65   1.209   6.032   5.474
  296    HA   LEU  65           HA       LEU  65   0.701   8.721   4.658
  297   1HB   LEU  65          1HB       LEU  65   1.282   7.464   7.355
  298   2HB   LEU  65          2HB       LEU  65   0.778   9.144   7.155
  299    HG   LEU  65           HG       LEU  65  -0.970   6.812   6.197
  300   1HD1  LEU  65          1HD1      LEU  65  -2.214   7.133   8.289
  301   2HD1  LEU  65          2HD1      LEU  65  -0.530   6.718   8.673
  302   3HD1  LEU  65          3HD1      LEU  65  -1.079   8.396   8.811
  303   1HD2  LEU  65          1HD2      LEU  65  -2.720   8.528   6.319
  304   2HD2  LEU  65          2HD2      LEU  65  -1.508   9.759   6.733
  305   3HD2  LEU  65          3HD2      LEU  65  -1.445   8.940   5.154
  306    H    ASN  66           H        ASN  66   3.634   7.114   5.671
  307    HA   ASN  66           HA       ASN  66   5.118   9.640   6.145
  308   1HB   ASN  66          1HB       ASN  66   5.644   6.705   6.784
  309   2HB   ASN  66          2HB       ASN  66   6.883   7.910   6.906
  310   1HD2  ASN  66          1HD2      ASN  66   3.634   7.171   8.016
  311   2HD2  ASN  66          2HD2      ASN  66   3.961   7.520   9.676
  312    H    GLY  67           H        GLY  67   5.696   6.499   4.452
  313   1HA   GLY  67          1HA       GLY  67   6.592   6.794   2.076
  314   2HA   GLY  67          2HA       GLY  67   7.889   7.713   2.871
  315    H    GLN  68           H        GLN  68   9.003   5.862   1.707
  316    HA   GLN  68           HA       GLN  68  10.099   4.170   3.706
  317   1HB   GLN  68          1HB       GLN  68   8.399   2.414   2.755
  318   2HB   GLN  68          2HB       GLN  68   8.947   2.891   1.167
  319   1HG   GLN  68          1HG       GLN  68   9.761   0.758   2.012
  320   2HG   GLN  68          2HG       GLN  68  11.061   1.851   1.512
  321   1HE2  GLN  68          1HE2      GLN  68  10.579  -0.584   3.476
  322   2HE2  GLN  68          2HE2      GLN  68  11.530  -0.041   4.854
  323    H    GLY  69           H        GLY  69  12.272   3.444   2.731
  324   1HA   GLY  69          1HA       GLY  69  14.115   4.843   1.845
  325   2HA   GLY  69          2HA       GLY  69  13.820   3.413   0.855
  326    H    GLY  70           H        GLY  70  13.038   3.702  -1.357
  327   1HA   GLY  70          1HA       GLY  70  13.140   6.463  -2.415
  328   2HA   GLY  70          2HA       GLY  70  13.197   4.933  -3.290
  329    H    MET  71           H        MET  71  10.773   5.743  -0.822
  330    HA   MET  71           HA       MET  71   8.633   5.830  -2.904
  331   1HB   MET  71          1HB       MET  71   8.614   3.867  -1.430
  332   2HB   MET  71          2HB       MET  71   8.568   4.888  -0.029
  333   1HG   MET  71          1HG       MET  71   6.435   5.745  -0.494
  334   2HG   MET  71          2HG       MET  71   6.347   4.994  -2.087
  335   1HE   MET  71          1HE       MET  71   3.864   3.343   0.808
  336   2HE   MET  71          2HE       MET  71   4.663   4.910   1.049
  337   3HE   MET  71          3HE       MET  71   3.872   4.537  -0.505
  338    HA   PRO  72           HA       PRO  72   8.703  10.034  -1.441
  339   1HB   PRO  72          1HB       PRO  72   6.358  11.041  -2.540
  340   2HB   PRO  72          2HB       PRO  72   7.873  10.754  -3.442
  341   1HG   PRO  72          1HG       PRO  72   5.470   8.941  -3.235
  342   2HG   PRO  72          2HG       PRO  72   6.378   9.389  -4.705
  343   1HD   PRO  72          1HD       PRO  72   6.847   7.042  -3.467
  344   2HD   PRO  72          2HD       PRO  72   8.227   8.006  -4.087
  345    H    GLY  73           H        GLY  73   5.683   8.224  -0.964
  346   1HA   GLY  73          1HA       GLY  73   4.560   7.880   1.039
  347   2HA   GLY  73          2HA       GLY  73   5.667   8.998   1.847
  348    H    GLY  74           H        GLY  74   2.965   8.959   2.351
  349   1HA   GLY  74          1HA       GLY  74   1.177  10.348   2.627
  350   2HA   GLY  74          2HA       GLY  74   2.144  11.708   2.009
  351    H    ILE  75           H        ILE  75   1.815   8.805   0.132
  352    HA   ILE  75           HA       ILE  75   0.751  10.087  -2.179
  353    HB   ILE  75           HB       ILE  75   1.084   7.204  -1.288
  354   1HG1  ILE  75          1HG1      ILE  75   2.692   8.391  -3.522
  355   2HG1  ILE  75          2HG1      ILE  75   3.059   9.017  -1.914
  356   1HG2  ILE  75          1HG2      ILE  75  -0.614   7.084  -2.970
  357   2HG2  ILE  75          2HG2      ILE  75   0.249   8.232  -4.025
  358   3HG2  ILE  75          3HG2      ILE  75   0.904   6.610  -3.734
  359   1HD1  ILE  75          1HD1      ILE  75   3.536   6.845  -1.037
  360   2HD1  ILE  75          2HD1      ILE  75   2.910   6.054  -2.493
  361   3HD1  ILE  75          3HD1      ILE  75   4.418   6.981  -2.575
  362    H    ALA  76           H        ALA  76  -0.718   8.431   0.589
  363    HA   ALA  76           HA       ALA  76  -3.369   9.262  -0.296
  364   1HB   ALA  76          1HB       ALA  76  -4.186   6.961   0.593
  365   2HB   ALA  76          2HB       ALA  76  -3.401   6.928  -1.005
  366   3HB   ALA  76          3HB       ALA  76  -2.516   6.416   0.447
  367    H    LYS  77           H        LYS  77  -4.645   9.838   1.607
  368    HA   LYS  77           HA       LYS  77  -3.340   9.426   4.222
  369   1HB   LYS  77          1HB       LYS  77  -3.979  12.121   2.963
  370   2HB   LYS  77          2HB       LYS  77  -3.814  11.878   4.692
  371   1HG   LYS  77          1HG       LYS  77  -1.528  10.650   3.567
  372   2HG   LYS  77          2HG       LYS  77  -1.717  12.132   2.651
  373   1HD   LYS  77          1HD       LYS  77  -1.523  13.448   4.710
  374   2HD   LYS  77          2HD       LYS  77  -1.683  11.985   5.708
  375   1HE   LYS  77          1HE       LYS  77   0.400  11.063   4.618
  376   2HE   LYS  77          2HE       LYS  77   0.633  12.620   3.801
  377   1HZ   LYS  77          1HZ       LYS  77   0.598  12.181   6.722
  378   2HZ   LYS  77          2HZ       LYS  77   1.940  12.244   5.787
  379   3HZ   LYS  77          3HZ       LYS  77   0.988  13.589   5.951
  380    H    GLY  78           H        GLY  78  -4.586   9.890   6.062
  381   1HA   GLY  78          1HA       GLY  78  -6.432   9.503   7.345
  382   2HA   GLY  78          2HA       GLY  78  -7.318  10.470   6.151
  383    H    ALA  79           H        ALA  79  -9.148   9.276   5.957
  384    HA   ALA  79           HA       ALA  79  -9.715   6.663   6.089
  385   1HB   ALA  79          1HB       ALA  79 -11.609   7.080   4.570
  386   2HB   ALA  79          2HB       ALA  79 -11.384   8.419   5.712
  387   3HB   ALA  79          3HB       ALA  79 -10.851   8.591   4.022
  388    H    GLU  80           H        GLU  80  -8.190   8.228   3.293
  389    HA   GLU  80           HA       GLU  80  -8.408   6.100   1.411
  390   1HB   GLU  80          1HB       GLU  80  -7.756   8.614   1.139
  391   2HB   GLU  80          2HB       GLU  80  -6.143   8.103   1.640
  392   1HG   GLU  80          1HG       GLU  80  -6.162   6.474  -0.304
  393   2HG   GLU  80          2HG       GLU  80  -7.692   7.185  -0.810
  394    H    ALA  81           H        ALA  81  -5.753   7.021   3.735
  395    HA   ALA  81           HA       ALA  81  -4.073   4.810   2.937
  396   1HB   ALA  81          1HB       ALA  81  -2.619   5.580   4.682
  397   2HB   ALA  81          2HB       ALA  81  -3.254   6.992   3.840
  398   3HB   ALA  81          3HB       ALA  81  -3.918   6.550   5.427
  399    H    GLU  82           H        GLU  82  -6.373   5.490   5.606
  400    HA   GLU  82           HA       GLU  82  -6.041   3.126   7.143
  401   1HB   GLU  82          1HB       GLU  82  -8.527   4.765   6.546
  402   2HB   GLU  82          2HB       GLU  82  -8.413   3.533   7.802
  403   1HG   GLU  82          1HG       GLU  82  -6.762   4.775   9.025
  404   2HG   GLU  82          2HG       GLU  82  -6.538   5.941   7.719
  405    H    ALA  83           H        ALA  83  -8.276   3.765   4.412
  406    HA   ALA  83           HA       ALA  83  -9.364   1.197   4.164
  407   1HB   ALA  83          1HB       ALA  83  -9.933   1.865   1.864
  408   2HB   ALA  83          2HB       ALA  83 -10.258   3.171   3.007
  409   3HB   ALA  83          3HB       ALA  83  -8.825   3.240   1.962
  410    H    VAL  84           H        VAL  84  -6.499   2.582   2.402
  411    HA   VAL  84           HA       VAL  84  -5.768   0.235   1.060
  412    HB   VAL  84           HB       VAL  84  -3.917   2.328   2.264
  413   1HG1  VAL  84          1HG1      VAL  84  -3.362   0.035   0.321
  414   2HG1  VAL  84          2HG1      VAL  84  -2.257   1.380   0.643
  415   3HG1  VAL  84          3HG1      VAL  84  -2.633   0.229   1.918
  416   1HG2  VAL  84          1HG2      VAL  84  -3.600   3.014  -0.092
  417   2HG2  VAL  84          2HG2      VAL  84  -4.877   1.882  -0.583
  418   3HG2  VAL  84          3HG2      VAL  84  -5.276   3.268   0.447
  419    H    ALA  85           H        ALA  85  -4.599   1.289   4.316
  420    HA   ALA  85           HA       ALA  85  -2.886  -0.877   4.791
  421   1HB   ALA  85          1HB       ALA  85  -4.533   0.783   6.750
  422   2HB   ALA  85          2HB       ALA  85  -3.176  -0.274   7.175
  423   3HB   ALA  85          3HB       ALA  85  -2.908   1.138   6.124
  424    H    ALA  86           H        ALA  86  -6.310  -0.521   5.850
  425    HA   ALA  86           HA       ALA  86  -6.559  -3.059   7.079
  426   1HB   ALA  86          1HB       ALA  86  -8.665  -1.377   5.647
  427   2HB   ALA  86          2HB       ALA  86  -8.990  -2.719   6.768
  428   3HB   ALA  86          3HB       ALA  86  -8.190  -1.245   7.353
  429    H    TRP  87           H        TRP  87  -7.402  -2.070   3.717
  430    HA   TRP  87           HA       TRP  87  -8.253  -4.618   2.812
  431   1HB   TRP  87          1HB       TRP  87  -8.821  -2.744   1.564
  432   2HB   TRP  87          2HB       TRP  87  -7.150  -2.134   1.580
  433    HD1  TRP  87           HD       TRP  87  -9.216  -4.721  -0.348
  434    HE1  TRP  87           1HE      TRP  87  -7.826  -5.534  -2.354
  435    HE3  TRP  87           3HE      TRP  87  -5.113  -1.788   0.310
  436    HZ2  TRP  87           2HZ      TRP  87  -5.078  -5.000  -3.421
  437    HZ3  TRP  87           3HZ      TRP  87  -3.186  -1.966  -1.211
  438    HH2  TRP  87           HH       TRP  87  -3.297  -3.454  -3.193
  439    H    LEU  88           H        LEU  88  -4.982  -3.123   2.674
  440    HA   LEU  88           HA       LEU  88  -4.013  -5.383   1.194
  441   1HB   LEU  88          1HB       LEU  88  -3.189  -2.812   1.313
  442   2HB   LEU  88          2HB       LEU  88  -2.078  -3.471   2.470
  443    HG   LEU  88           HG       LEU  88  -1.496  -3.214  -0.085
  444   1HD1  LEU  88          1HD1      LEU  88  -0.847  -5.812   1.263
  445   2HD1  LEU  88          2HD1      LEU  88  -0.024  -4.936  -0.050
  446   3HD1  LEU  88          3HD1      LEU  88  -0.085  -4.215   1.593
  447   1HD2  LEU  88          1HD2      LEU  88  -3.508  -4.923  -0.763
  448   2HD2  LEU  88          2HD2      LEU  88  -1.946  -4.912  -1.602
  449   3HD2  LEU  88          3HD2      LEU  88  -2.299  -6.117  -0.365
  450    H    ALA  89           H        ALA  89  -4.090  -4.543   4.554
  451    HA   ALA  89           HA       ALA  89  -2.588  -6.787   5.550
  452   1HB   ALA  89          1HB       ALA  89  -4.984  -5.378   6.748
  453   2HB   ALA  89          2HB       ALA  89  -4.005  -6.625   7.536
  454   3HB   ALA  89          3HB       ALA  89  -3.259  -5.090   7.067
  455    H    GLU  90           H        GLU  90  -6.123  -6.392   4.736
  456    HA   GLU  90           HA       GLU  90  -6.575  -9.161   5.221
  457   1HB   GLU  90          1HB       GLU  90  -8.746  -8.619   5.083
  458   2HB   GLU  90          2HB       GLU  90  -8.168  -6.960   5.063
  459   1HG   GLU  90          1HG       GLU  90  -8.178  -7.206   2.475
  460   2HG   GLU  90          2HG       GLU  90  -9.073  -8.701   2.753
  461    H    LYS  91           H        LYS  91  -4.941  -7.812   2.548
  462    HA   LYS  91           HA       LYS  91  -6.106  -9.417   0.447
  463   1HB   LYS  91          1HB       LYS  91  -4.994  -7.184   0.267
  464   2HB   LYS  91          2HB       LYS  91  -3.450  -7.934   0.632
  465   1HG   LYS  91          1HG       LYS  91  -5.238  -8.544  -1.786
  466   2HG   LYS  91          2HG       LYS  91  -3.850  -7.449  -1.772
  467   1HD   LYS  91          1HD       LYS  91  -2.743  -9.750  -0.715
  468   2HD   LYS  91          2HD       LYS  91  -3.889 -10.440  -1.882
  469   1HE   LYS  91          1HE       LYS  91  -1.825  -8.298  -2.437
  470   2HE   LYS  91          2HE       LYS  91  -1.477 -10.040  -2.482
  471   1HZ   LYS  91          1HZ       LYS  91  -3.446  -8.664  -4.213
  472   2HZ   LYS  91          2HZ       LYS  91  -1.955  -9.170  -4.691
  473   3HZ   LYS  91          3HZ       LYS  91  -3.090 -10.272  -4.246
  474    H    LYS  92           H        LYS  92  -3.742  -9.893   2.927
  475    HA   LYS  92           HA       LYS  92  -1.636 -11.018   1.576
  476   1HB   LYS  92          1HB       LYS  92  -0.771 -11.435   3.666
  477   2HB   LYS  92          2HB       LYS  92  -1.657  -9.906   3.593
  478   1HG   LYS  92          1HG       LYS  92  -3.667 -11.358   4.561
  479   2HG   LYS  92          2HG       LYS  92  -2.432 -12.533   4.985
  480   1HD   LYS  92          1HD       LYS  92  -1.513 -11.107   6.672
  481   2HD   LYS  92          2HD       LYS  92  -2.161  -9.665   5.915
  482   1HE   LYS  92          1HE       LYS  92  -3.503  -9.976   7.827
  483   2HE   LYS  92          2HE       LYS  92  -4.518 -10.401   6.447
  484   1HZ   LYS  92          1HZ       LYS  92  -3.117 -12.311   8.183
  485   2HZ   LYS  92          2HZ       LYS  92  -4.735 -11.999   8.166
  486   3HZ   LYS  92          3HZ       LYS  92  -4.022 -12.707   6.859
  487    HHA  HEC  93           HHA      HEC  93   8.547  -0.154   0.459
  488    HHB  HEC  93           HHB      HEC  93   2.114   0.005   0.702
  489    HHC  HEC  93           HHC      HEC  93   2.293   4.318  -4.070
  490    HHD  HEC  93           HHD      HEC  93   8.540   3.257  -4.888
  491   1HMA  HEC  93          1HMA      HEC  93   3.048  -1.917   1.968
  492   2HMA  HEC  93          2HMA      HEC  93   4.488  -2.251   2.935
  493   3HMA  HEC  93          3HMA      HEC  93   3.555  -0.772   3.236
  494   1HAA  HEC  93          1HAA      HEC  93   6.734  -1.848   3.126
  495   2HAA  HEC  93          2HAA      HEC  93   7.834  -0.617   2.627
  496   1HBA  HEC  93          1HBA      HEC  93   8.024  -2.141   0.479
  497   2HBA  HEC  93          2HBA      HEC  93   7.297  -3.377   1.494
  498   1HMB  HEC  93          1HMB      HEC  93  -0.041   0.980   0.396
  499   2HMB  HEC  93          2HMB      HEC  93  -0.920   1.294  -1.117
  500   3HMB  HEC  93          3HMB      HEC  93   0.110  -0.125  -0.979
  501    HAB  HEC  93           HAB      HEC  93   0.370   4.288  -3.307
  502   1HBB  HEC  93          1HBB      HEC  93  -1.668   4.646  -2.024
  503   2HBB  HEC  93          2HBB      HEC  93  -1.137   3.475  -0.805
  504   3HBB  HEC  93          3HBB      HEC  93  -0.206   4.955  -1.069
  505   1HMC  HEC  93          1HMC      HEC  93   3.304   6.149  -5.440
  506   2HMC  HEC  93          2HMC      HEC  93   4.275   5.821  -6.884
  507   3HMC  HEC  93          3HMC      HEC  93   2.995   4.705  -6.424
  508    HAC  HEC  93           HAC      HEC  93   7.899   4.398  -6.514
  509   1HBC  HEC  93          1HBC      HEC  93   7.509   6.597  -7.596
  510   2HBC  HEC  93          2HBC      HEC  93   6.146   6.863  -6.488
  511   3HBC  HEC  93          3HBC      HEC  93   7.780   6.626  -5.851
  512   1HMD  HEC  93          1HMD      HEC  93  10.174   1.812  -4.980
  513   2HMD  HEC  93          2HMD      HEC  93  11.217   2.645  -3.800
  514   3HMD  HEC  93          3HMD      HEC  93  11.240   0.870  -3.949
  515   1HAD  HEC  93          1HAD      HEC  93  10.885  -0.619  -1.201
  516   2HAD  HEC  93          2HAD      HEC  93  10.457   0.353   0.067
  517   1HBD  HEC  93          1HBD      HEC  93  12.554   1.009   0.033
  518   2HBD  HEC  93          2HBD      HEC  93  11.661   2.333  -0.681
  Start of MODEL   21
    1   1H    VAL  22          1H        VAL  22 -14.343   4.397   0.070
    2   2H    VAL  22          2H        VAL  22 -13.179   4.405   1.237
    3   3H    VAL  22          3H        VAL  22 -13.930   5.848   0.804
    4    HA   VAL  22           HA       VAL  22 -13.122   5.482  -1.432
    5    HB   VAL  22           HB       VAL  22 -10.763   5.393   0.500
    6   1HG1  VAL  22          1HG1      VAL  22  -9.713   6.758  -1.280
    7   2HG1  VAL  22          2HG1      VAL  22 -10.281   5.219  -1.941
    8   3HG1  VAL  22          3HG1      VAL  22 -11.207   6.703  -2.232
    9   1HG2  VAL  22          1HG2      VAL  22 -12.257   7.134   1.358
   10   2HG2  VAL  22          2HG2      VAL  22 -10.919   7.892   0.493
   11   3HG2  VAL  22          3HG2      VAL  22 -12.509   7.774  -0.286
   12    H    ASP  23           H        ASP  23 -12.836   3.853  -2.707
   13    HA   ASP  23           HA       ASP  23 -12.725   1.144  -1.855
   14   1HB   ASP  23          1HB       ASP  23 -13.844   1.751  -3.901
   15   2HB   ASP  23          2HB       ASP  23 -12.357   2.396  -4.599
   16    H    ALA  24           H        ALA  24 -11.024   0.384  -0.870
   17    HA   ALA  24           HA       ALA  24  -8.442   1.363  -0.902
   18   1HB   ALA  24          1HB       ALA  24  -9.299  -1.528  -0.440
   19   2HB   ALA  24          2HB       ALA  24  -7.823  -0.722   0.149
   20   3HB   ALA  24          3HB       ALA  24  -9.417  -0.265   0.789
   21    H    GLU  25           H        GLU  25  -9.942  -1.099  -3.086
   22    HA   GLU  25           HA       GLU  25  -7.265  -1.971  -3.928
   23   1HB   GLU  25          1HB       GLU  25  -8.140  -3.734  -4.905
   24   2HB   GLU  25          2HB       GLU  25  -9.485  -3.429  -3.802
   25   1HG   GLU  25          1HG       GLU  25 -10.717  -2.336  -5.622
   26   2HG   GLU  25          2HG       GLU  25  -9.333  -2.559  -6.734
   27    H    ALA  26           H        ALA  26 -10.026   0.024  -5.081
   28    HA   ALA  26           HA       ALA  26  -8.940   0.806  -7.559
   29   1HB   ALA  26          1HB       ALA  26 -11.184   1.480  -6.773
   30   2HB   ALA  26          2HB       ALA  26 -10.418   2.659  -5.672
   31   3HB   ALA  26          3HB       ALA  26 -10.233   2.829  -7.423
   32    H    VAL  27           H        VAL  27  -8.345   2.348  -4.352
   33    HA   VAL  27           HA       VAL  27  -6.253   4.187  -5.165
   34    HB   VAL  27           HB       VAL  27  -6.578   2.639  -2.547
   35   1HG1  VAL  27          1HG1      VAL  27  -5.195   5.284  -2.991
   36   2HG1  VAL  27          2HG1      VAL  27  -5.237   4.359  -1.524
   37   3HG1  VAL  27          3HG1      VAL  27  -4.291   3.744  -2.893
   38   1HG2  VAL  27          1HG2      VAL  27  -7.653   4.686  -1.705
   39   2HG2  VAL  27          2HG2      VAL  27  -7.492   5.459  -3.296
   40   3HG2  VAL  27          3HG2      VAL  27  -8.569   4.081  -3.088
   41    H    VAL  28           H        VAL  28  -5.813   0.700  -3.995
   42    HA   VAL  28           HA       VAL  28  -3.061   1.084  -4.729
   43    HB   VAL  28           HB       VAL  28  -4.484  -1.444  -3.903
   44   1HG1  VAL  28          1HG1      VAL  28  -2.453  -2.081  -4.865
   45   2HG1  VAL  28          2HG1      VAL  28  -1.561  -0.699  -4.268
   46   3HG1  VAL  28          3HG1      VAL  28  -1.991  -1.977  -3.173
   47   1HG2  VAL  28          1HG2      VAL  28  -3.310   0.938  -2.446
   48   2HG2  VAL  28          2HG2      VAL  28  -4.733  -0.063  -2.065
   49   3HG2  VAL  28          3HG2      VAL  28  -3.100  -0.654  -1.759
   50    H    GLN  29           H        GLN  29  -5.692   0.341  -6.656
   51    HA   GLN  29           HA       GLN  29  -4.116  -0.874  -8.823
   52   1HB   GLN  29          1HB       GLN  29  -7.050  -0.238  -8.387
   53   2HB   GLN  29          2HB       GLN  29  -6.454  -0.852  -9.910
   54   1HG   GLN  29          1HG       GLN  29  -5.900  -2.355  -7.325
   55   2HG   GLN  29          2HG       GLN  29  -7.394  -2.539  -8.243
   56   1HE2  GLN  29          1HE2      GLN  29  -3.871  -3.167  -8.302
   57   2HE2  GLN  29          2HE2      GLN  29  -3.960  -4.248  -9.658
   58    H    GLN  30           H        GLN  30  -4.611   2.289  -7.670
   59    HA   GLN  30           HA       GLN  30  -3.702   3.294 -10.323
   60   1HB   GLN  30          1HB       GLN  30  -6.339   3.639  -9.278
   61   2HB   GLN  30          2HB       GLN  30  -5.543   5.194  -9.080
   62   1HG   GLN  30          1HG       GLN  30  -4.976   5.311 -11.435
   63   2HG   GLN  30          2HG       GLN  30  -5.423   3.615 -11.691
   64   1HE2  GLN  30          1HE2      GLN  30  -7.216   6.285 -10.020
   65   2HE2  GLN  30          2HE2      GLN  30  -8.630   6.113 -11.049
   66    H    LYS  31           H        LYS  31  -3.090   3.341  -7.022
   67    HA   LYS  31           HA       LYS  31  -1.572   5.912  -7.197
   68   1HB   LYS  31          1HB       LYS  31  -2.629   4.225  -4.883
   69   2HB   LYS  31          2HB       LYS  31  -1.653   5.639  -4.670
   70   1HG   LYS  31          1HG       LYS  31  -4.367   5.675  -6.014
   71   2HG   LYS  31          2HG       LYS  31  -3.936   6.113  -4.352
   72   1HD   LYS  31          1HD       LYS  31  -2.334   7.830  -5.243
   73   2HD   LYS  31          2HD       LYS  31  -3.097   7.608  -6.841
   74   1HE   LYS  31          1HE       LYS  31  -5.268   8.279  -5.970
   75   2HE   LYS  31          2HE       LYS  31  -4.703   8.148  -4.296
   76   1HZ   LYS  31          1HZ       LYS  31  -3.294   9.973  -4.579
   77   2HZ   LYS  31          2HZ       LYS  31  -3.777  10.192  -6.155
   78   3HZ   LYS  31          3HZ       LYS  31  -4.851  10.368  -4.905
   79    H    CYS  32           H        CYS  32  -1.357   2.526  -6.068
   80    HA   CYS  32           HA       CYS  32   1.480   2.861  -5.500
   81   1HB   CYS  32          1HB       CYS  32  -0.031   0.303  -5.315
   82   2HB   CYS  32          2HB       CYS  32   1.292   0.848  -4.297
   83    H    ILE  33           H        ILE  33  -0.528   1.084  -7.833
   84    HA   ILE  33           HA       ILE  33   1.283  -0.600  -8.982
   85    HB   ILE  33           HB       ILE  33   0.047  -0.557 -11.003
   86   1HG1  ILE  33          1HG1      ILE  33  -1.518   1.904 -10.132
   87   2HG1  ILE  33          2HG1      ILE  33  -0.203   1.961 -11.313
   88   1HG2  ILE  33          1HG2      ILE  33  -2.002   0.041  -8.912
   89   2HG2  ILE  33          2HG2      ILE  33  -2.070  -1.226 -10.133
   90   3HG2  ILE  33          3HG2      ILE  33  -0.969  -1.402  -8.758
   91   1HD1  ILE  33          1HD1      ILE  33  -2.654   0.225 -11.701
   92   2HD1  ILE  33          2HD1      ILE  33  -2.371   1.815 -12.425
   93   3HD1  ILE  33          3HD1      ILE  33  -1.299   0.454 -12.816
   94    H    SER  34           H        SER  34   1.040   2.885  -9.492
   95    HA   SER  34           HA       SER  34   2.590   3.567 -11.504
   96   1HB   SER  34          1HB       SER  34   2.987   4.789  -8.763
   97   2HB   SER  34          2HB       SER  34   2.849   5.607 -10.331
   98    HG   SER  34           HG       SER  34   0.928   5.177  -8.617
   99    H    CYS  35           H        CYS  35   3.809   2.169  -8.451
  100    HA   CYS  35           HA       CYS  35   6.472   1.879  -9.749
  101   1HB   CYS  35          1HB       CYS  35   6.282   2.199  -6.750
  102   2HB   CYS  35          2HB       CYS  35   7.665   2.364  -7.806
  103    H    HIS  36           H        HIS  36   4.133   0.534  -7.354
  104    HA   HIS  36           HA       HIS  36   5.638  -1.922  -7.082
  105   1HB   HIS  36          1HB       HIS  36   2.893  -1.068  -6.154
  106   2HB   HIS  36          2HB       HIS  36   3.600  -2.650  -5.808
  107    HD1  HIS  36           1HD      HIS  36   5.715  -2.729  -4.096
  108    HD2  HIS  36           2HD      HIS  36   3.794   0.991  -4.657
  109    HE1  HIS  36           1HE      HIS  36   6.389  -1.243  -2.144
  110    H    GLY  37           H        GLY  37   3.647  -0.915  -9.663
  111   1HA   GLY  37          1HA       GLY  37   4.073  -2.192 -11.583
  112   2HA   GLY  37          2HA       GLY  37   3.846  -3.704 -10.713
  113    H    GLY  38           H        GLY  38   1.567  -3.889  -9.729
  114   1HA   GLY  38          1HA       GLY  38  -0.732  -2.789 -11.076
  115   2HA   GLY  38          2HA       GLY  38  -0.199  -4.251 -11.904
  116    H    ASP  39           H        ASP  39  -0.021  -6.229 -10.672
  117    HA   ASP  39           HA       ASP  39  -1.945  -6.598  -8.530
  118   1HB   ASP  39          1HB       ASP  39  -0.351  -8.357 -10.312
  119   2HB   ASP  39          2HB       ASP  39  -0.528  -8.959  -8.660
  120    H    LEU  40           H        LEU  40   0.786  -5.004  -8.307
  121    HA   LEU  40           HA       LEU  40   2.194  -4.395  -6.625
  122   1HB   LEU  40          1HB       LEU  40   0.403  -5.930  -4.736
  123   2HB   LEU  40          2HB       LEU  40   1.551  -4.639  -4.424
  124    HG   LEU  40           HG       LEU  40  -0.407  -3.482  -4.324
  125   1HD1  LEU  40          1HD1      LEU  40   1.012  -2.388  -5.991
  126   2HD1  LEU  40          2HD1      LEU  40   0.130  -3.198  -7.299
  127   3HD1  LEU  40          3HD1      LEU  40  -0.697  -2.058  -6.251
  128   1HD2  LEU  40          1HD2      LEU  40  -1.625  -5.324  -6.365
  129   2HD2  LEU  40          2HD2      LEU  40  -1.931  -5.155  -4.651
  130   3HD2  LEU  40          3HD2      LEU  40  -2.405  -3.891  -5.816
  131    H    THR  41           H        THR  41   2.539  -6.907  -8.114
  132    HA   THR  41           HA       THR  41   4.020  -8.721  -6.462
  133    HB   THR  41           HB       THR  41   4.741  -9.663  -8.604
  134    HG1  THR  41           1HG      THR  41   3.317  -7.544  -9.861
  135   1HG2  THR  41          1HG2      THR  41   2.425 -10.155  -7.724
  136   2HG2  THR  41          2HG2      THR  41   1.794  -8.864  -8.762
  137   3HG2  THR  41          3HG2      THR  41   2.560 -10.282  -9.491
  138    H    GLY  42           H        GLY  42   4.750  -5.544  -7.741
  139   1HA   GLY  42          1HA       GLY  42   6.477  -4.346  -6.816
  140   2HA   GLY  42          2HA       GLY  42   7.435  -5.801  -6.532
  141    H    ALA  43           H        ALA  43   6.756  -3.252  -8.788
  142    HA   ALA  43           HA       ALA  43   8.511  -4.480 -10.877
  143   1HB   ALA  43          1HB       ALA  43   7.679  -2.637 -12.306
  144   2HB   ALA  43          2HB       ALA  43   6.404  -3.730 -11.734
  145   3HB   ALA  43          3HB       ALA  43   6.586  -2.130 -11.001
  146    H    SER  44           H        SER  44   8.042  -1.066  -9.943
  147    HA   SER  44           HA       SER  44  10.962  -0.629  -9.871
  148   1HB   SER  44          1HB       SER  44   8.668   1.332  -9.603
  149   2HB   SER  44          2HB       SER  44  10.367   1.714  -9.908
  150    HG   SER  44           HG       SER  44   9.017   1.676 -11.826
  151    H    ALA  45           H        ALA  45   8.836  -1.801  -7.684
  152    HA   ALA  45           HA       ALA  45  10.101  -0.681  -5.263
  153   1HB   ALA  45          1HB       ALA  45   7.112  -0.693  -5.871
  154   2HB   ALA  45          2HB       ALA  45   7.867  -0.260  -4.326
  155   3HB   ALA  45          3HB       ALA  45   8.121   0.751  -5.762
  156    HA   PRO  46           HA       PRO  46   9.854  -5.003  -4.509
  157   1HB   PRO  46          1HB       PRO  46   9.483  -5.260  -1.786
  158   2HB   PRO  46          2HB       PRO  46  11.004  -4.685  -2.530
  159   1HG   PRO  46          1HG       PRO  46   8.729  -3.016  -1.446
  160   2HG   PRO  46          2HG       PRO  46  10.473  -2.865  -1.069
  161   1HD   PRO  46          1HD       PRO  46   9.274  -1.291  -2.927
  162   2HD   PRO  46          2HD       PRO  46  10.913  -1.932  -3.240
  163    H    ALA  47           H        ALA  47   8.460  -6.795  -3.765
  164    HA   ALA  47           HA       ALA  47   5.798  -6.478  -4.646
  165   1HB   ALA  47          1HB       ALA  47   6.954  -8.690  -2.879
  166   2HB   ALA  47          2HB       ALA  47   5.519  -8.796  -3.920
  167   3HB   ALA  47          3HB       ALA  47   7.134  -8.626  -4.638
  168    H    ILE  48           H        ILE  48   4.032  -5.699  -3.575
  169    HA   ILE  48           HA       ILE  48   4.003  -5.970  -0.626
  170    HB   ILE  48           HB       ILE  48   2.556  -3.964  -0.398
  171   1HG1  ILE  48          1HG1      ILE  48   3.278  -2.119  -2.172
  172   2HG1  ILE  48          2HG1      ILE  48   3.338  -3.484  -3.266
  173   1HG2  ILE  48          1HG2      ILE  48   4.289  -2.466  -0.249
  174   2HG2  ILE  48          2HG2      ILE  48   4.806  -4.056   0.331
  175   3HG2  ILE  48          3HG2      ILE  48   5.359  -3.474  -1.286
  176   1HD1  ILE  48          1HD1      ILE  48   1.062  -2.509  -1.437
  177   2HD1  ILE  48          2HD1      ILE  48   1.123  -2.294  -3.193
  178   3HD1  ILE  48          3HD1      ILE  48   0.898  -3.924  -2.478
  179    H    ASP  49           H        ASP  49   2.566  -7.050  -3.421
  180    HA   ASP  49           HA       ASP  49  -0.124  -7.342  -2.810
  181   1HB   ASP  49          1HB       ASP  49  -0.029  -9.377  -4.042
  182   2HB   ASP  49          2HB       ASP  49   1.177  -8.319  -4.772
  183    H    LYS  50           H        LYS  50   2.617  -9.133  -1.468
  184    HA   LYS  50           HA       LYS  50   0.855 -10.628   0.353
  185   1HB   LYS  50          1HB       LYS  50   2.448 -12.236   0.326
  186   2HB   LYS  50          2HB       LYS  50   2.811 -11.441  -1.180
  187   1HG   LYS  50          1HG       LYS  50   4.924 -11.633  -0.368
  188   2HG   LYS  50          2HG       LYS  50   4.541 -10.026   0.239
  189   1HD   LYS  50          1HD       LYS  50   4.863 -10.763   2.373
  190   2HD   LYS  50          2HD       LYS  50   3.562 -11.935   2.163
  191   1HE   LYS  50          1HE       LYS  50   5.184 -13.539   1.116
  192   2HE   LYS  50          2HE       LYS  50   6.490 -12.433   1.594
  193   1HZ   LYS  50          1HZ       LYS  50   5.737 -12.673   3.877
  194   2HZ   LYS  50          2HZ       LYS  50   4.558 -13.726   3.418
  195   3HZ   LYS  50          3HZ       LYS  50   6.142 -14.138   3.243
  196    H    ALA  51           H        ALA  51   2.042  -7.599   0.619
  197    HA   ALA  51           HA       ALA  51   3.801  -7.523   2.746
  198   1HB   ALA  51          1HB       ALA  51   3.195  -5.642   1.283
  199   2HB   ALA  51          2HB       ALA  51   1.659  -5.458   2.148
  200   3HB   ALA  51          3HB       ALA  51   3.203  -5.195   2.994
  201    H    GLY  52           H        GLY  52   0.205  -7.577   2.923
  202   1HA   GLY  52          1HA       GLY  52  -0.216  -7.120   5.615
  203   2HA   GLY  52          2HA       GLY  52  -1.162  -8.229   4.603
  204    H    ALA  53           H        ALA  53   1.282  -9.988   4.192
  205    HA   ALA  53           HA       ALA  53   0.893 -11.658   6.574
  206   1HB   ALA  53          1HB       ALA  53   2.099 -13.320   5.353
  207   2HB   ALA  53          2HB       ALA  53   1.002 -12.546   4.193
  208   3HB   ALA  53          3HB       ALA  53   2.724 -12.119   4.209
  209    H    ASN  54           H        ASN  54   3.282  -9.387   5.325
  210    HA   ASN  54           HA       ASN  54   5.462 -10.398   7.098
  211   1HB   ASN  54          1HB       ASN  54   5.355  -8.234   4.950
  212   2HB   ASN  54          2HB       ASN  54   6.744  -8.522   6.004
  213   1HD2  ASN  54          1HD2      ASN  54   7.463  -8.635   3.536
  214   2HD2  ASN  54          2HD2      ASN  54   7.659 -10.273   2.960
  215    H    TYR  55           H        TYR  55   3.361  -7.589   6.532
  216    HA   TYR  55           HA       TYR  55   4.281  -6.277   9.047
  217   1HB   TYR  55          1HB       TYR  55   3.485  -4.909   6.459
  218   2HB   TYR  55          2HB       TYR  55   4.185  -4.164   7.891
  219    HD1  TYR  55           1HD      TYR  55   4.915  -4.769   4.639
  220    HD2  TYR  55           2HD      TYR  55   6.597  -5.481   8.545
  221    HE1  TYR  55           1HE      TYR  55   7.187  -4.732   3.665
  222    HE2  TYR  55           2HE      TYR  55   8.871  -5.465   7.556
  223    HH   TYR  55           HH       TYR  55   9.472  -4.610   4.150
  224    H    SER  56           H        SER  56   2.583  -5.100  10.104
  225    HA   SER  56           HA       SER  56  -0.107  -6.142   9.509
  226   1HB   SER  56          1HB       SER  56   0.937  -4.453  11.822
  227   2HB   SER  56          2HB       SER  56  -0.648  -5.240  11.727
  228    HG   SER  56           HG       SER  56   0.646  -7.242  11.373
  229    H    GLU  57           H        GLU  57  -1.970  -4.702   9.581
  230    HA   GLU  57           HA       GLU  57  -2.086  -2.703   7.707
  231   1HB   GLU  57          1HB       GLU  57  -4.165  -3.441   8.314
  232   2HB   GLU  57          2HB       GLU  57  -3.791  -3.538  10.026
  233   1HG   GLU  57          1HG       GLU  57  -4.146  -1.175  10.325
  234   2HG   GLU  57          2HG       GLU  57  -4.243  -0.910   8.576
  235    H    GLU  58           H        GLU  58  -1.609  -2.112  11.241
  236    HA   GLU  58           HA       GLU  58  -1.233   0.622  11.183
  237   1HB   GLU  58          1HB       GLU  58   0.309   0.248  13.160
  238   2HB   GLU  58          2HB       GLU  58  -1.327  -0.394  13.277
  239   1HG   GLU  58          1HG       GLU  58  -0.501  -2.686  12.789
  240   2HG   GLU  58          2HG       GLU  58   1.156  -2.056  12.673
  241    H    GLU  59           H        GLU  59   1.423  -1.762  10.686
  242    HA   GLU  59           HA       GLU  59   3.507   0.126  10.313
  243   1HB   GLU  59          1HB       GLU  59   3.093  -2.672   9.184
  244   2HB   GLU  59          2HB       GLU  59   4.625  -1.799   9.115
  245   1HG   GLU  59          1HG       GLU  59   3.355  -2.196  11.834
  246   2HG   GLU  59          2HG       GLU  59   4.113  -3.575  11.027
  247    H    ILE  60           H        ILE  60   1.332  -1.488   7.998
  248    HA   ILE  60           HA       ILE  60   2.638  -0.438   5.651
  249    HB   ILE  60           HB       ILE  60  -0.169  -1.516   5.972
  250   1HG1  ILE  60          1HG1      ILE  60   2.312  -2.957   4.953
  251   2HG1  ILE  60          2HG1      ILE  60   1.758  -3.074   6.620
  252   1HG2  ILE  60          1HG2      ILE  60   1.035  -0.266   3.688
  253   2HG2  ILE  60          2HG2      ILE  60   0.977  -1.987   3.338
  254   3HG2  ILE  60          3HG2      ILE  60  -0.506  -1.137   3.781
  255   1HD1  ILE  60          1HD1      ILE  60  -0.399  -4.004   5.894
  256   2HD1  ILE  60          2HD1      ILE  60   0.176  -3.975   4.209
  257   3HD1  ILE  60          3HD1      ILE  60   0.992  -4.993   5.405
  258    H    LEU  61           H        LEU  61  -0.260   0.522   7.500
  259    HA   LEU  61           HA       LEU  61  -1.121   2.768   6.080
  260   1HB   LEU  61          1HB       LEU  61  -2.264   1.722   7.974
  261   2HB   LEU  61          2HB       LEU  61  -1.046   2.291   9.093
  262    HG   LEU  61           HG       LEU  61  -1.664   4.600   8.778
  263   1HD1  LEU  61          1HD1      LEU  61  -3.488   3.526   6.619
  264   2HD1  LEU  61          2HD1      LEU  61  -3.679   5.149   7.319
  265   3HD1  LEU  61          3HD1      LEU  61  -2.195   4.738   6.449
  266   1HD2  LEU  61          1HD2      LEU  61  -3.982   4.507   9.629
  267   2HD2  LEU  61          2HD2      LEU  61  -4.145   2.837   9.047
  268   3HD2  LEU  61          3HD2      LEU  61  -3.005   3.217  10.356
  269    H    ASP  62           H        ASP  62   1.227   2.593   8.807
  270    HA   ASP  62           HA       ASP  62   1.833   5.368   8.685
  271   1HB   ASP  62          1HB       ASP  62   2.662   3.216  10.325
  272   2HB   ASP  62          2HB       ASP  62   4.144   3.834   9.594
  273    H    ILE  63           H        ILE  63   3.271   2.559   7.000
  274    HA   ILE  63           HA       ILE  63   5.405   4.091   5.789
  275    HB   ILE  63           HB       ILE  63   4.154   1.394   5.280
  276   1HG1  ILE  63          1HG1      ILE  63   7.022   2.291   5.814
  277   2HG1  ILE  63          2HG1      ILE  63   5.859   1.881   7.083
  278   1HG2  ILE  63          1HG2      ILE  63   5.844   1.046   3.467
  279   2HG2  ILE  63          2HG2      ILE  63   4.496   2.078   3.022
  280   3HG2  ILE  63          3HG2      ILE  63   6.091   2.794   3.399
  281   1HD1  ILE  63          1HD1      ILE  63   7.230  -0.036   6.735
  282   2HD1  ILE  63          2HD1      ILE  63   5.628  -0.415   6.072
  283   3HD1  ILE  63          3HD1      ILE  63   6.987  -0.015   4.990
  284    H    ILE  64           H        ILE  64   2.059   3.427   4.695
  285    HA   ILE  64           HA       ILE  64   2.345   4.634   2.109
  286    HB   ILE  64           HB       ILE  64  -0.037   4.302   3.956
  287   1HG1  ILE  64          1HG1      ILE  64   0.497   2.794   1.395
  288   2HG1  ILE  64          2HG1      ILE  64   1.362   2.300   2.848
  289   1HG2  ILE  64          1HG2      ILE  64  -0.603   6.096   2.421
  290   2HG2  ILE  64          2HG2      ILE  64   0.070   5.197   1.046
  291   3HG2  ILE  64          3HG2      ILE  64  -1.401   4.623   1.859
  292   1HD1  ILE  64          1HD1      ILE  64  -0.736   2.010   4.083
  293   2HD1  ILE  64          2HD1      ILE  64  -1.663   2.506   2.672
  294   3HD1  ILE  64          3HD1      ILE  64  -0.677   1.014   2.640
  295    H    LEU  65           H        LEU  65   1.355   5.945   5.277
  296    HA   LEU  65           HA       LEU  65   0.977   8.629   4.334
  297   1HB   LEU  65          1HB       LEU  65   1.507   7.476   7.081
  298   2HB   LEU  65          2HB       LEU  65   1.034   9.152   6.784
  299    HG   LEU  65           HG       LEU  65  -0.765   6.851   5.820
  300   1HD1  LEU  65          1HD1      LEU  65  -0.334   6.529   8.237
  301   2HD1  LEU  65          2HD1      LEU  65  -0.770   8.219   8.546
  302   3HD1  LEU  65          3HD1      LEU  65  -1.989   7.081   7.931
  303   1HD2  LEU  65          1HD2      LEU  65  -2.482   8.558   6.035
  304   2HD2  LEU  65          2HD2      LEU  65  -1.292   9.750   6.592
  305   3HD2  LEU  65          3HD2      LEU  65  -1.201   9.112   4.936
  306    H    ASN  66           H        ASN  66   3.811   6.947   5.681
  307    HA   ASN  66           HA       ASN  66   5.369   9.428   5.972
  308   1HB   ASN  66          1HB       ASN  66   5.878   6.511   6.683
  309   2HB   ASN  66          2HB       ASN  66   7.128   7.723   6.774
  310   1HD2  ASN  66          1HD2      ASN  66   3.853   7.063   7.944
  311   2HD2  ASN  66          2HD2      ASN  66   4.233   7.413   9.595
  312    H    GLY  67           H        GLY  67   5.716   6.318   4.202
  313   1HA   GLY  67          1HA       GLY  67   6.606   6.404   1.906
  314   2HA   GLY  67          2HA       GLY  67   7.880   7.479   2.502
  315    H    GLN  68           H        GLN  68   9.158   5.744   1.521
  316    HA   GLN  68           HA       GLN  68  10.506   4.326   3.529
  317   1HB   GLN  68          1HB       GLN  68   8.781   2.300   2.848
  318   2HB   GLN  68          2HB       GLN  68   9.563   2.430   1.316
  319   1HG   GLN  68          1HG       GLN  68  11.365   1.268   2.064
  320   2HG   GLN  68          2HG       GLN  68  11.658   2.430   3.331
  321   1HE2  GLN  68          1HE2      GLN  68  10.567  -0.843   2.707
  322   2HE2  GLN  68          2HE2      GLN  68  10.216  -1.148   4.378
  323    H    GLY  69           H        GLY  69  12.572   5.041   2.781
  324   1HA   GLY  69          1HA       GLY  69  14.275   5.562   1.321
  325   2HA   GLY  69          2HA       GLY  69  13.819   4.040   0.548
  326    H    GLY  70           H        GLY  70  13.123   4.146  -1.607
  327   1HA   GLY  70          1HA       GLY  70  13.178   6.630  -3.031
  328   2HA   GLY  70          2HA       GLY  70  12.645   5.050  -3.621
  329    H    MET  71           H        MET  71  10.602   4.910  -1.371
  330    HA   MET  71           HA       MET  71   8.394   5.939  -2.875
  331   1HB   MET  71          1HB       MET  71   8.471   3.866  -1.512
  332   2HB   MET  71          2HB       MET  71   8.498   4.789  -0.074
  333   1HG   MET  71          1HG       MET  71   6.370   5.733  -0.410
  334   2HG   MET  71          2HG       MET  71   6.184   5.011  -2.005
  335   1HE   MET  71          1HE       MET  71   3.799   3.282   0.828
  336   2HE   MET  71          2HE       MET  71   4.547   4.878   1.059
  337   3HE   MET  71          3HE       MET  71   3.808   4.460  -0.505
  338    HA   PRO  72           HA       PRO  72   8.913   9.956  -0.874
  339   1HB   PRO  72          1HB       PRO  72   6.766  11.311  -1.936
  340   2HB   PRO  72          2HB       PRO  72   8.229  10.891  -2.875
  341   1HG   PRO  72          1HG       PRO  72   5.619   9.359  -2.751
  342   2HG   PRO  72          2HG       PRO  72   6.518   9.864  -4.212
  343   1HD   PRO  72          1HD       PRO  72   6.801   7.377  -3.226
  344   2HD   PRO  72          2HD       PRO  72   8.245   8.269  -3.806
  345    H    GLY  73           H        GLY  73   5.809   8.251  -0.731
  346   1HA   GLY  73          1HA       GLY  73   4.532   7.835   1.191
  347   2HA   GLY  73          2HA       GLY  73   5.450   9.055   2.086
  348    H    GLY  74           H        GLY  74   2.737   8.954   2.261
  349   1HA   GLY  74          1HA       GLY  74   0.978  10.439   2.371
  350   2HA   GLY  74          2HA       GLY  74   2.010  11.690   1.659
  351    H    ILE  75           H        ILE  75   1.889   8.823  -0.171
  352    HA   ILE  75           HA       ILE  75   0.701   9.903  -2.505
  353    HB   ILE  75           HB       ILE  75   1.337   7.131  -1.448
  354   1HG1  ILE  75          1HG1      ILE  75   2.527   8.311  -3.933
  355   2HG1  ILE  75          2HG1      ILE  75   2.997   9.079  -2.413
  356   1HG2  ILE  75          1HG2      ILE  75   0.138   7.775  -4.167
  357   2HG2  ILE  75          2HG2      ILE  75   0.974   6.260  -3.776
  358   3HG2  ILE  75          3HG2      ILE  75  -0.509   6.682  -2.917
  359   1HD1  ILE  75          1HD1      ILE  75   3.166   6.084  -2.790
  360   2HD1  ILE  75          2HD1      ILE  75   4.505   7.178  -3.163
  361   3HD1  ILE  75          3HD1      ILE  75   3.882   7.060  -1.500
  362    H    ALA  76           H        ALA  76  -0.637   8.239   0.312
  363    HA   ALA  76           HA       ALA  76  -3.319   8.932  -0.571
  364   1HB   ALA  76          1HB       ALA  76  -4.096   6.681   0.416
  365   2HB   ALA  76          2HB       ALA  76  -3.265   6.570  -1.153
  366   3HB   ALA  76          3HB       ALA  76  -2.410   6.164   0.349
  367    H    LYS  77           H        LYS  77  -4.614   9.510   1.326
  368    HA   LYS  77           HA       LYS  77  -3.332   9.089   3.950
  369   1HB   LYS  77          1HB       LYS  77  -3.910  11.683   4.300
  370   2HB   LYS  77          2HB       LYS  77  -2.325  11.066   3.811
  371   1HG   LYS  77          1HG       LYS  77  -2.801  11.553   1.462
  372   2HG   LYS  77          2HG       LYS  77  -4.433  12.122   1.901
  373   1HD   LYS  77          1HD       LYS  77  -3.419  13.964   3.225
  374   2HD   LYS  77          2HD       LYS  77  -1.817  13.245   3.043
  375   1HE   LYS  77          1HE       LYS  77  -2.014  15.145   1.539
  376   2HE   LYS  77          2HE       LYS  77  -1.806  13.640   0.632
  377   1HZ   LYS  77          1HZ       LYS  77  -3.504  15.028  -0.321
  378   2HZ   LYS  77          2HZ       LYS  77  -4.173  13.628   0.223
  379   3HZ   LYS  77          3HZ       LYS  77  -4.374  15.024   1.076
  380    H    GLY  78           H        GLY  78  -4.558   9.519   5.807
  381   1HA   GLY  78          1HA       GLY  78  -6.430   9.171   7.071
  382   2HA   GLY  78          2HA       GLY  78  -7.313  10.132   5.868
  383    H    ALA  79           H        ALA  79  -9.135   8.890   5.637
  384    HA   ALA  79           HA       ALA  79  -9.596   6.227   5.678
  385   1HB   ALA  79          1HB       ALA  79 -10.819   8.211   3.725
  386   2HB   ALA  79          2HB       ALA  79 -11.493   6.627   4.170
  387   3HB   ALA  79          3HB       ALA  79 -11.347   7.899   5.398
  388    H    GLU  80           H        GLU  80  -8.130   7.991   2.982
  389    HA   GLU  80           HA       GLU  80  -8.207   6.005   0.961
  390   1HB   GLU  80          1HB       GLU  80  -7.527   8.572   1.044
  391   2HB   GLU  80          2HB       GLU  80  -5.936   7.928   1.423
  392   1HG   GLU  80          1HG       GLU  80  -5.964   6.773  -0.817
  393   2HG   GLU  80          2HG       GLU  80  -7.530   7.524  -1.127
  394    H    ALA  81           H        ALA  81  -5.583   6.796   3.389
  395    HA   ALA  81           HA       ALA  81  -3.972   4.561   2.527
  396   1HB   ALA  81          1HB       ALA  81  -3.716   6.371   4.957
  397   2HB   ALA  81          2HB       ALA  81  -2.475   5.279   4.286
  398   3HB   ALA  81          3HB       ALA  81  -3.015   6.675   3.352
  399    H    GLU  82           H        GLU  82  -6.281   5.212   5.198
  400    HA   GLU  82           HA       GLU  82  -5.762   2.842   6.728
  401   1HB   GLU  82          1HB       GLU  82  -8.248   4.536   6.298
  402   2HB   GLU  82          2HB       GLU  82  -8.213   3.152   7.392
  403   1HG   GLU  82          1HG       GLU  82  -6.485   4.140   8.750
  404   2HG   GLU  82          2HG       GLU  82  -6.282   5.498   7.627
  405    H    ALA  83           H        ALA  83  -8.149   3.487   4.123
  406    HA   ALA  83           HA       ALA  83  -9.239   0.914   3.933
  407   1HB   ALA  83          1HB       ALA  83  -8.799   2.927   1.680
  408   2HB   ALA  83          2HB       ALA  83  -9.971   1.596   1.694
  409   3HB   ALA  83          3HB       ALA  83 -10.159   2.922   2.827
  410    H    VAL  84           H        VAL  84  -6.457   2.321   2.094
  411    HA   VAL  84           HA       VAL  84  -5.569   0.007   0.772
  412    HB   VAL  84           HB       VAL  84  -3.925   2.221   2.085
  413   1HG1  VAL  84          1HG1      VAL  84  -3.052   0.111   0.148
  414   2HG1  VAL  84          2HG1      VAL  84  -2.077   1.463   0.711
  415   3HG1  VAL  84          3HG1      VAL  84  -2.518   0.167   1.829
  416   1HG2  VAL  84          1HG2      VAL  84  -4.839   1.712  -0.755
  417   2HG2  VAL  84          2HG2      VAL  84  -5.122   3.132   0.256
  418   3HG2  VAL  84          3HG2      VAL  84  -3.487   2.787  -0.342
  419    H    ALA  85           H        ALA  85  -4.485   1.082   4.037
  420    HA   ALA  85           HA       ALA  85  -2.722  -1.031   4.532
  421   1HB   ALA  85          1HB       ALA  85  -2.844   1.070   5.780
  422   2HB   ALA  85          2HB       ALA  85  -4.371   0.558   6.537
  423   3HB   ALA  85          3HB       ALA  85  -2.874  -0.353   6.835
  424    H    ALA  86           H        ALA  86  -6.189  -0.797   5.541
  425    HA   ALA  86           HA       ALA  86  -6.316  -3.363   6.768
  426   1HB   ALA  86          1HB       ALA  86  -8.754  -3.136   6.467
  427   2HB   ALA  86          2HB       ALA  86  -8.027  -1.632   7.066
  428   3HB   ALA  86          3HB       ALA  86  -8.500  -1.766   5.360
  429    H    TRP  87           H        TRP  87  -7.200  -2.346   3.436
  430    HA   TRP  87           HA       TRP  87  -7.962  -4.907   2.470
  431   1HB   TRP  87          1HB       TRP  87  -8.664  -2.920   1.407
  432   2HB   TRP  87          2HB       TRP  87  -7.003  -2.363   1.246
  433    HD1  TRP  87           HD       TRP  87  -9.425  -4.584  -0.741
  434    HE1  TRP  87           1HE      TRP  87  -8.221  -5.398  -2.827
  435    HE3  TRP  87           3HE      TRP  87  -4.890  -2.465   0.142
  436    HZ2  TRP  87           2HZ      TRP  87  -5.233  -5.349  -3.778
  437    HZ3  TRP  87           3HZ      TRP  87  -3.065  -2.724  -1.530
  438    HH2  TRP  87           HH       TRP  87  -3.376  -3.975  -3.559
  439    H    LEU  88           H        LEU  88  -4.795  -3.370   2.679
  440    HA   LEU  88           HA       LEU  88  -3.415  -5.524   1.252
  441   1HB   LEU  88          1HB       LEU  88  -2.550  -3.038   2.598
  442   2HB   LEU  88          2HB       LEU  88  -1.428  -4.385   2.741
  443    HG   LEU  88           HG       LEU  88  -2.392  -4.205  -0.010
  444   1HD1  LEU  88          1HD1      LEU  88  -2.633  -1.932   0.411
  445   2HD1  LEU  88          2HD1      LEU  88  -0.972  -1.780   1.062
  446   3HD1  LEU  88          3HD1      LEU  88  -1.244  -2.221  -0.657
  447   1HD2  LEU  88          1HD2      LEU  88  -0.578  -5.568   0.734
  448   2HD2  LEU  88          2HD2      LEU  88  -0.496  -4.618  -0.756
  449   3HD2  LEU  88          3HD2      LEU  88   0.400  -4.056   0.713
  450    H    ALA  89           H        ALA  89  -3.993  -4.719   4.688
  451    HA   ALA  89           HA       ALA  89  -2.452  -6.788   5.811
  452   1HB   ALA  89          1HB       ALA  89  -3.307  -4.977   7.097
  453   2HB   ALA  89          2HB       ALA  89  -4.990  -5.536   6.889
  454   3HB   ALA  89          3HB       ALA  89  -3.826  -6.520   7.802
  455    H    GLU  90           H        GLU  90  -5.842  -6.823   4.627
  456    HA   GLU  90           HA       GLU  90  -6.198  -9.597   5.414
  457   1HB   GLU  90          1HB       GLU  90  -8.409  -9.338   4.699
  458   2HB   GLU  90          2HB       GLU  90  -7.877  -7.794   5.414
  459   1HG   GLU  90          1HG       GLU  90  -8.972  -7.046   3.533
  460   2HG   GLU  90          2HG       GLU  90  -7.310  -7.160   2.942
  461    H    LYS  91           H        LYS  91  -4.684  -8.148   2.760
  462    HA   LYS  91           HA       LYS  91  -5.223  -9.906   0.654
  463   1HB   LYS  91          1HB       LYS  91  -4.079  -7.473   0.991
  464   2HB   LYS  91          2HB       LYS  91  -2.673  -8.369   0.491
  465   1HG   LYS  91          1HG       LYS  91  -5.380  -8.224  -0.979
  466   2HG   LYS  91          2HG       LYS  91  -4.079  -7.057  -1.180
  467   1HD   LYS  91          1HD       LYS  91  -3.800  -8.485  -2.998
  468   2HD   LYS  91          2HD       LYS  91  -2.529  -8.903  -1.851
  469   1HE   LYS  91          1HE       LYS  91  -4.009 -10.834  -1.048
  470   2HE   LYS  91          2HE       LYS  91  -5.131 -10.421  -2.323
  471   1HZ   LYS  91          1HZ       LYS  91  -3.301 -10.803  -3.906
  472   2HZ   LYS  91          2HZ       LYS  91  -2.309 -11.222  -2.659
  473   3HZ   LYS  91          3HZ       LYS  91  -3.622 -12.150  -3.011
  474    H    LYS  92           H        LYS  92  -4.248 -11.412   3.050
  475    HA   LYS  92           HA       LYS  92  -1.337 -11.843   2.479
  476   1HB   LYS  92          1HB       LYS  92  -1.087 -11.822   4.786
  477   2HB   LYS  92          2HB       LYS  92  -2.110 -10.454   4.227
  478   1HG   LYS  92          1HG       LYS  92  -4.116 -11.554   5.040
  479   2HG   LYS  92          2HG       LYS  92  -3.265 -13.055   5.404
  480   1HD   LYS  92          1HD       LYS  92  -2.246 -12.211   7.320
  481   2HD   LYS  92          2HD       LYS  92  -2.386 -10.534   6.792
  482   1HE   LYS  92          1HE       LYS  92  -4.926 -10.726   6.991
  483   2HE   LYS  92          2HE       LYS  92  -4.705 -12.342   7.666
  484   1HZ   LYS  92          1HZ       LYS  92  -4.975 -10.635   9.339
  485   2HZ   LYS  92          2HZ       LYS  92  -3.478 -11.314   9.473
  486   3HZ   LYS  92          3HZ       LYS  92  -3.654  -9.825   8.781
  487    HHA  HEC  93           HHA      HEC  93   8.652  -0.127   0.624
  488    HHB  HEC  93           HHB      HEC  93   2.204  -0.124   0.828
  489    HHC  HEC  93           HHC      HEC  93   2.277   4.160  -3.956
  490    HHD  HEC  93           HHD      HEC  93   8.550   3.181  -4.778
  491   1HMA  HEC  93          1HMA      HEC  93   3.331  -2.126   2.172
  492   2HMA  HEC  93          2HMA      HEC  93   4.631  -1.988   3.366
  493   3HMA  HEC  93          3HMA      HEC  93   3.426  -0.700   3.235
  494   1HAA  HEC  93          1HAA      HEC  93   6.854  -1.957   3.220
  495   2HAA  HEC  93          2HAA      HEC  93   7.992  -0.758   2.705
  496   1HBA  HEC  93          1HBA      HEC  93   7.901  -2.139   0.461
  497   2HBA  HEC  93          2HBA      HEC  93   7.323  -3.448   1.494
  498   1HMB  HEC  93          1HMB      HEC  93   0.008   0.717   0.456
  499   2HMB  HEC  93          2HMB      HEC  93  -0.852   0.859  -1.094
  500   3HMB  HEC  93          3HMB      HEC  93   0.299  -0.438  -0.843
  501    HAB  HEC  93           HAB      HEC  93   0.280   3.840  -3.413
  502   1HBB  HEC  93          1HBB      HEC  93  -1.821   4.083  -2.163
  503   2HBB  HEC  93          2HBB      HEC  93  -1.174   3.054  -0.872
  504   3HBB  HEC  93          3HBB      HEC  93  -0.400   4.598  -1.234
  505   1HMC  HEC  93          1HMC      HEC  93   3.131   5.913  -5.308
  506   2HMC  HEC  93          2HMC      HEC  93   4.311   5.892  -6.621
  507   3HMC  HEC  93          3HMC      HEC  93   3.178   4.548  -6.443
  508    HAC  HEC  93           HAC      HEC  93   7.955   4.490  -6.267
  509   1HBC  HEC  93          1HBC      HEC  93   7.765   6.646  -5.391
  510   2HBC  HEC  93          2HBC      HEC  93   7.621   6.761  -7.147
  511   3HBC  HEC  93          3HBC      HEC  93   6.178   6.931  -6.124
  512   1HMD  HEC  93          1HMD      HEC  93  10.201   1.762  -4.879
  513   2HMD  HEC  93          2HMD      HEC  93  11.244   2.618  -3.716
  514   3HMD  HEC  93          3HMD      HEC  93  11.285   0.838  -3.854
  515   1HAD  HEC  93          1HAD      HEC  93  10.960  -0.601  -1.064
  516   2HAD  HEC  93          2HAD      HEC  93  10.548   0.420   0.222
  517   1HBD  HEC  93          1HBD      HEC  93  12.758   0.740   0.054
  518   2HBD  HEC  93          2HBD      HEC  93  11.908   2.229  -0.306
  Start of MODEL   22
    1   1H    VAL  22          1H        VAL  22 -14.033   4.155   0.760
    2   2H    VAL  22          2H        VAL  22 -12.705   4.266   1.733
    3   3H    VAL  22          3H        VAL  22 -13.643   5.625   1.449
    4    HA   VAL  22           HA       VAL  22 -13.136   5.384  -0.898
    5    HB   VAL  22           HB       VAL  22 -10.630   5.579   0.839
    6   1HG1  VAL  22          1HG1      VAL  22  -9.795   6.909  -1.126
    7   2HG1  VAL  22          2HG1      VAL  22 -10.089   5.215  -1.528
    8   3HG1  VAL  22          3HG1      VAL  22 -11.252   6.459  -2.024
    9   1HG2  VAL  22          1HG2      VAL  22 -10.981   8.037   0.619
   10   2HG2  VAL  22          2HG2      VAL  22 -12.546   7.739  -0.160
   11   3HG2  VAL  22          3HG2      VAL  22 -12.281   7.275   1.538
   12    H    ASP  23           H        ASP  23 -13.054   3.739  -2.177
   13    HA   ASP  23           HA       ASP  23 -12.652   1.169  -1.459
   14   1HB   ASP  23          1HB       ASP  23 -12.552   2.332  -4.275
   15   2HB   ASP  23          2HB       ASP  23 -12.988   0.675  -3.830
   16    H    ALA  24           H        ALA  24 -10.746   0.761  -0.534
   17    HA   ALA  24           HA       ALA  24  -8.279   1.661  -1.005
   18   1HB   ALA  24          1HB       ALA  24  -9.126  -1.099  -0.134
   19   2HB   ALA  24          2HB       ALA  24  -7.475  -0.455   0.049
   20   3HB   ALA  24          3HB       ALA  24  -8.837   0.305   0.910
   21    H    GLU  25           H        GLU  25  -9.639  -1.279  -2.563
   22    HA   GLU  25           HA       GLU  25  -7.228  -1.955  -3.876
   23   1HB   GLU  25          1HB       GLU  25  -8.323  -3.689  -4.731
   24   2HB   GLU  25          2HB       GLU  25  -9.623  -3.214  -3.632
   25   1HG   GLU  25          1HG       GLU  25 -10.712  -1.993  -5.438
   26   2HG   GLU  25          2HG       GLU  25  -9.409  -2.480  -6.584
   27    H    ALA  26           H        ALA  26  -9.845   0.305  -4.790
   28    HA   ALA  26           HA       ALA  26  -8.882   0.773  -7.457
   29   1HB   ALA  26          1HB       ALA  26 -11.185   1.377  -6.693
   30   2HB   ALA  26          2HB       ALA  26 -10.486   2.678  -5.698
   31   3HB   ALA  26          3HB       ALA  26 -10.305   2.719  -7.455
   32    H    VAL  27           H        VAL  27  -8.319   2.367  -4.286
   33    HA   VAL  27           HA       VAL  27  -6.439   4.363  -5.181
   34    HB   VAL  27           HB       VAL  27  -6.338   2.793  -2.561
   35   1HG1  VAL  27          1HG1      VAL  27  -5.105   4.745  -1.725
   36   2HG1  VAL  27          2HG1      VAL  27  -4.226   3.977  -3.051
   37   3HG1  VAL  27          3HG1      VAL  27  -5.135   5.479  -3.339
   38   1HG2  VAL  27          1HG2      VAL  27  -8.518   3.924  -2.820
   39   2HG2  VAL  27          2HG2      VAL  27  -7.521   4.735  -1.606
   40   3HG2  VAL  27          3HG2      VAL  27  -7.687   5.442  -3.226
   41    H    VAL  28           H        VAL  28  -5.689   0.862  -4.065
   42    HA   VAL  28           HA       VAL  28  -3.017   1.491  -4.760
   43    HB   VAL  28           HB       VAL  28  -4.443  -1.073  -4.199
   44   1HG1  VAL  28          1HG1      VAL  28  -2.405  -2.205  -3.782
   45   2HG1  VAL  28          2HG1      VAL  28  -2.148  -1.353  -5.304
   46   3HG1  VAL  28          3HG1      VAL  28  -1.463  -0.733  -3.775
   47   1HG2  VAL  28          1HG2      VAL  28  -2.854  -0.285  -1.966
   48   2HG2  VAL  28          2HG2      VAL  28  -3.494   1.230  -2.565
   49   3HG2  VAL  28          3HG2      VAL  28  -4.609  -0.052  -2.144
   50    H    GLN  29           H        GLN  29  -5.483  -0.151  -6.548
   51    HA   GLN  29           HA       GLN  29  -3.964  -0.743  -8.897
   52   1HB   GLN  29          1HB       GLN  29  -6.940  -0.526  -8.299
   53   2HB   GLN  29          2HB       GLN  29  -6.378  -1.052  -9.839
   54   1HG   GLN  29          1HG       GLN  29  -5.742  -2.457  -7.228
   55   2HG   GLN  29          2HG       GLN  29  -6.869  -2.990  -8.479
   56   1HE2  GLN  29          1HE2      GLN  29  -4.030  -3.931  -7.311
   57   2HE2  GLN  29          2HE2      GLN  29  -3.133  -4.280  -8.784
   58    H    GLN  30           H        GLN  30  -4.729   2.352  -7.751
   59    HA   GLN  30           HA       GLN  30  -4.013   3.299 -10.489
   60   1HB   GLN  30          1HB       GLN  30  -6.545   3.682  -9.232
   61   2HB   GLN  30          2HB       GLN  30  -5.723   5.235  -9.150
   62   1HG   GLN  30          1HG       GLN  30  -5.322   5.086 -11.627
   63   2HG   GLN  30          2HG       GLN  30  -6.060   3.473 -11.635
   64   1HE2  GLN  30          1HE2      GLN  30  -6.875   6.819 -10.503
   65   2HE2  GLN  30          2HE2      GLN  30  -8.541   6.730 -11.057
   66    H    LYS  31           H        LYS  31  -3.226   3.476  -7.180
   67    HA   LYS  31           HA       LYS  31  -1.570   5.928  -7.605
   68   1HB   LYS  31          1HB       LYS  31  -3.595   5.170  -5.541
   69   2HB   LYS  31          2HB       LYS  31  -2.108   5.799  -4.902
   70   1HG   LYS  31          1HG       LYS  31  -3.286   7.359  -7.189
   71   2HG   LYS  31          2HG       LYS  31  -4.274   7.275  -5.719
   72   1HD   LYS  31          1HD       LYS  31  -2.449   7.952  -4.323
   73   2HD   LYS  31          2HD       LYS  31  -1.338   8.030  -5.723
   74   1HE   LYS  31          1HE       LYS  31  -2.720   9.884  -6.677
   75   2HE   LYS  31          2HE       LYS  31  -3.834   9.751  -5.299
   76   1HZ   LYS  31          1HZ       LYS  31  -1.996  10.304  -3.846
   77   2HZ   LYS  31          2HZ       LYS  31  -1.002  10.532  -5.131
   78   3HZ   LYS  31          3HZ       LYS  31  -2.306  11.517  -4.917
   79    H    CYS  32           H        CYS  32  -1.540   2.553  -6.600
   80    HA   CYS  32           HA       CYS  32   1.185   2.967  -5.429
   81   1HB   CYS  32          1HB       CYS  32  -0.647   0.642  -5.130
   82   2HB   CYS  32          2HB       CYS  32   0.811   0.950  -4.186
   83    H    ILE  33           H        ILE  33  -0.752   0.854  -7.589
   84    HA   ILE  33           HA       ILE  33   1.251  -0.799  -8.538
   85    HB   ILE  33           HB       ILE  33   0.016  -0.939 -10.644
   86   1HG1  ILE  33          1HG1      ILE  33  -2.019   1.044  -9.589
   87   2HG1  ILE  33          2HG1      ILE  33  -0.725   1.535 -10.677
   88   1HG2  ILE  33          1HG2      ILE  33  -2.034  -1.911  -9.709
   89   2HG2  ILE  33          2HG2      ILE  33  -0.627  -2.299  -8.723
   90   3HG2  ILE  33          3HG2      ILE  33  -1.754  -1.073  -8.176
   91   1HD1  ILE  33          1HD1      ILE  33  -2.812  -0.556 -11.347
   92   2HD1  ILE  33          2HD1      ILE  33  -2.663   1.087 -11.998
   93   3HD1  ILE  33          3HD1      ILE  33  -1.417  -0.117 -12.357
   94    H    SER  34           H        SER  34   0.790   2.572  -9.245
   95    HA   SER  34           HA       SER  34   2.204   3.179 -11.472
   96   1HB   SER  34          1HB       SER  34   1.151   4.812  -9.941
   97   2HB   SER  34          2HB       SER  34   2.452   4.552  -8.761
   98    HG   SER  34           HG       SER  34   2.888   5.452 -11.420
   99    H    CYS  35           H        CYS  35   3.683   2.206  -8.333
  100    HA   CYS  35           HA       CYS  35   6.281   1.874  -9.805
  101   1HB   CYS  35          1HB       CYS  35   6.137   2.270  -6.816
  102   2HB   CYS  35          2HB       CYS  35   7.517   2.360  -7.892
  103    H    HIS  36           H        HIS  36   4.043   0.477  -7.348
  104    HA   HIS  36           HA       HIS  36   5.698  -1.853  -6.988
  105   1HB   HIS  36          1HB       HIS  36   2.868  -1.157  -6.204
  106   2HB   HIS  36          2HB       HIS  36   3.638  -2.704  -5.802
  107    HD1  HIS  36           1HD      HIS  36   5.771  -2.620  -4.103
  108    HD2  HIS  36           2HD      HIS  36   3.638   0.985  -4.718
  109    HE1  HIS  36           1HE      HIS  36   6.439  -1.026  -2.240
  110    H    GLY  37           H        GLY  37   3.511  -1.091  -9.560
  111   1HA   GLY  37          1HA       GLY  37   3.312  -2.314 -11.506
  112   2HA   GLY  37          2HA       GLY  37   3.947  -3.772 -10.725
  113    H    GLY  38           H        GLY  38   1.572  -3.605 -12.365
  114   1HA   GLY  38          1HA       GLY  38  -0.886  -3.166 -11.408
  115   2HA   GLY  38          2HA       GLY  38  -0.515  -4.562 -12.420
  116    H    ASP  39           H        ASP  39   0.438  -6.511 -11.137
  117    HA   ASP  39           HA       ASP  39  -1.467  -7.340  -9.232
  118   1HB   ASP  39          1HB       ASP  39   1.204  -8.577 -10.004
  119   2HB   ASP  39          2HB       ASP  39  -0.164  -9.411  -9.244
  120    H    LEU  40           H        LEU  40   1.141  -5.308  -8.662
  121    HA   LEU  40           HA       LEU  40   2.237  -4.557  -6.878
  122   1HB   LEU  40          1HB       LEU  40   0.173  -6.086  -5.250
  123   2HB   LEU  40          2HB       LEU  40   1.213  -4.799  -4.667
  124    HG   LEU  40           HG       LEU  40  -0.417  -4.154  -7.129
  125   1HD1  LEU  40          1HD1      LEU  40  -2.393  -3.613  -5.831
  126   2HD1  LEU  40          2HD1      LEU  40  -2.066  -5.349  -5.846
  127   3HD1  LEU  40          3HD1      LEU  40  -1.684  -4.397  -4.393
  128   1HD2  LEU  40          1HD2      LEU  40   0.038  -2.517  -4.653
  129   2HD2  LEU  40          2HD2      LEU  40   1.263  -2.666  -5.920
  130   3HD2  LEU  40          3HD2      LEU  40  -0.305  -1.974  -6.313
  131    H    THR  41           H        THR  41   2.905  -7.126  -8.167
  132    HA   THR  41           HA       THR  41   4.318  -8.757  -6.266
  133    HB   THR  41           HB       THR  41   5.144  -9.652  -8.576
  134    HG1  THR  41           1HG      THR  41   4.717  -7.892  -9.870
  135   1HG2  THR  41          1HG2      THR  41   3.309 -10.732  -7.341
  136   2HG2  THR  41          2HG2      THR  41   2.152  -9.532  -7.947
  137   3HG2  THR  41          3HG2      THR  41   2.925 -10.663  -9.074
  138    H    GLY  42           H        GLY  42   4.967  -5.628  -7.616
  139   1HA   GLY  42          1HA       GLY  42   6.676  -4.424  -6.718
  140   2HA   GLY  42          2HA       GLY  42   7.665  -5.866  -6.454
  141    H    ALA  43           H        ALA  43   6.400  -3.729  -9.000
  142    HA   ALA  43           HA       ALA  43   8.335  -4.649 -10.987
  143   1HB   ALA  43          1HB       ALA  43   7.444  -2.772 -12.345
  144   2HB   ALA  43          2HB       ALA  43   6.193  -3.868 -11.732
  145   3HB   ALA  43          3HB       ALA  43   6.423  -2.281 -10.976
  146    H    SER  44           H        SER  44   7.903  -1.301  -9.801
  147    HA   SER  44           HA       SER  44  10.834  -0.820 -10.006
  148   1HB   SER  44          1HB       SER  44   9.264   0.612 -11.343
  149   2HB   SER  44          2HB       SER  44   8.547   1.171  -9.817
  150    HG   SER  44           HG       SER  44  10.768   1.762  -9.231
  151    H    ALA  45           H        ALA  45   8.830  -1.892  -7.693
  152    HA   ALA  45           HA       ALA  45  10.206  -0.676  -5.402
  153   1HB   ALA  45          1HB       ALA  45   7.179  -0.692  -5.829
  154   2HB   ALA  45          2HB       ALA  45   8.001  -0.225  -4.335
  155   3HB   ALA  45          3HB       ALA  45   8.190   0.752  -5.801
  156    HA   PRO  46           HA       PRO  46   9.908  -4.991  -4.471
  157   1HB   PRO  46          1HB       PRO  46   9.466  -5.195  -1.754
  158   2HB   PRO  46          2HB       PRO  46  11.008  -4.635  -2.466
  159   1HG   PRO  46          1HG       PRO  46   8.692  -2.943  -1.513
  160   2HG   PRO  46          2HG       PRO  46  10.411  -2.791  -1.036
  161   1HD   PRO  46          1HD       PRO  46   9.363  -1.235  -2.983
  162   2HD   PRO  46          2HD       PRO  46  10.982  -1.945  -3.234
  163    H    ALA  47           H        ALA  47   8.493  -6.746  -3.655
  164    HA   ALA  47           HA       ALA  47   5.827  -6.452  -4.612
  165   1HB   ALA  47          1HB       ALA  47   7.005  -8.655  -2.851
  166   2HB   ALA  47          2HB       ALA  47   5.557  -8.767  -3.872
  167   3HB   ALA  47          3HB       ALA  47   7.165  -8.598  -4.611
  168    H    ILE  48           H        ILE  48   4.097  -5.617  -3.554
  169    HA   ILE  48           HA       ILE  48   4.034  -5.915  -0.586
  170    HB   ILE  48           HB       ILE  48   2.989  -3.820  -0.215
  171   1HG1  ILE  48          1HG1      ILE  48   3.190  -2.027  -1.997
  172   2HG1  ILE  48          2HG1      ILE  48   3.252  -3.322  -3.188
  173   1HG2  ILE  48          1HG2      ILE  48   5.453  -4.083  -0.149
  174   2HG2  ILE  48          2HG2      ILE  48   5.536  -3.511  -1.830
  175   3HG2  ILE  48          3HG2      ILE  48   4.947  -2.436  -0.556
  176   1HD1  ILE  48          1HD1      ILE  48   0.972  -2.244  -2.701
  177   2HD1  ILE  48          2HD1      ILE  48   0.959  -4.011  -2.497
  178   3HD1  ILE  48          3HD1      ILE  48   1.038  -2.938  -1.084
  179    H    ASP  49           H        ASP  49   2.623  -6.936  -3.403
  180    HA   ASP  49           HA       ASP  49   0.046  -7.655  -2.886
  181   1HB   ASP  49          1HB       ASP  49   1.191  -8.620  -4.719
  182   2HB   ASP  49          2HB       ASP  49   2.536  -9.167  -3.717
  183    H    LYS  50           H        LYS  50   2.896  -8.833  -1.106
  184    HA   LYS  50           HA       LYS  50   1.142 -10.268   0.823
  185   1HB   LYS  50          1HB       LYS  50   4.053 -10.746   0.118
  186   2HB   LYS  50          2HB       LYS  50   3.148 -11.641   1.346
  187   1HG   LYS  50          1HG       LYS  50   2.405 -11.531  -1.598
  188   2HG   LYS  50          2HG       LYS  50   3.325 -12.830  -0.856
  189   1HD   LYS  50          1HD       LYS  50   1.463 -13.505   0.534
  190   2HD   LYS  50          2HD       LYS  50   0.499 -12.097   0.069
  191   1HE   LYS  50          1HE       LYS  50   0.349 -12.793  -2.225
  192   2HE   LYS  50          2HE       LYS  50   1.353 -14.219  -1.923
  193   1HZ   LYS  50          1HZ       LYS  50  -0.375 -15.043  -0.488
  194   2HZ   LYS  50          2HZ       LYS  50  -1.192 -13.665  -0.520
  195   3HZ   LYS  50          3HZ       LYS  50  -1.110 -14.576  -1.895
  196    H    ALA  51           H        ALA  51   2.197  -7.274   0.743
  197    HA   ALA  51           HA       ALA  51   3.754  -7.002   3.095
  198   1HB   ALA  51          1HB       ALA  51   3.048  -4.718   3.165
  199   2HB   ALA  51          2HB       ALA  51   3.335  -5.199   1.481
  200   3HB   ALA  51          3HB       ALA  51   1.672  -5.023   2.106
  201    H    GLY  52           H        GLY  52   0.113  -7.411   2.738
  202   1HA   GLY  52          1HA       GLY  52  -0.433  -7.046   5.477
  203   2HA   GLY  52          2HA       GLY  52  -1.334  -8.057   4.342
  204    H    ALA  53           H        ALA  53   1.024  -9.871   3.803
  205    HA   ALA  53           HA       ALA  53   0.748 -11.645   6.126
  206   1HB   ALA  53          1HB       ALA  53   0.953 -12.643   3.868
  207   2HB   ALA  53          2HB       ALA  53   2.550 -11.896   3.681
  208   3HB   ALA  53          3HB       ALA  53   2.279 -13.118   4.925
  209    H    ASN  54           H        ASN  54   3.347  -9.738   4.615
  210    HA   ASN  54           HA       ASN  54   5.353 -10.632   6.492
  211   1HB   ASN  54          1HB       ASN  54   5.343  -8.254   4.586
  212   2HB   ASN  54          2HB       ASN  54   6.766  -8.889   5.423
  213   1HD2  ASN  54          1HD2      ASN  54   6.543  -8.647   2.562
  214   2HD2  ASN  54          2HD2      ASN  54   6.612 -10.278   1.923
  215    H    TYR  55           H        TYR  55   3.300  -7.803   6.287
  216    HA   TYR  55           HA       TYR  55   4.324  -6.611   8.821
  217   1HB   TYR  55          1HB       TYR  55   3.436  -5.117   6.330
  218   2HB   TYR  55          2HB       TYR  55   4.054  -4.421   7.824
  219    HD1  TYR  55           1HD      TYR  55   5.031  -4.099   4.842
  220    HD2  TYR  55           2HD      TYR  55   6.453  -6.275   8.290
  221    HE1  TYR  55           1HE      TYR  55   7.355  -4.035   3.953
  222    HE2  TYR  55           2HE      TYR  55   8.723  -6.263   7.370
  223    HH   TYR  55           HH       TYR  55  10.103  -5.515   5.685
  224    H    SER  56           H        SER  56   2.394  -4.696   9.198
  225    HA   SER  56           HA       SER  56  -0.207  -6.039   8.800
  226   1HB   SER  56          1HB       SER  56   0.879  -5.316  11.548
  227   2HB   SER  56          2HB       SER  56  -0.770  -5.860  11.193
  228    HG   SER  56           HG       SER  56   0.860  -7.571   9.999
  229    H    GLU  57           H        GLU  57  -1.963  -4.491   9.834
  230    HA   GLU  57           HA       GLU  57  -1.975  -2.586   7.787
  231   1HB   GLU  57          1HB       GLU  57  -4.161  -2.029   8.488
  232   2HB   GLU  57          2HB       GLU  57  -3.952  -3.740   8.740
  233   1HG   GLU  57          1HG       GLU  57  -4.938  -3.279  10.718
  234   2HG   GLU  57          2HG       GLU  57  -3.305  -2.873  11.253
  235    H    GLU  58           H        GLU  58  -1.175  -2.210  11.235
  236    HA   GLU  58           HA       GLU  58  -1.025   0.609  11.302
  237   1HB   GLU  58          1HB       GLU  58   0.562   0.233  13.202
  238   2HB   GLU  58          2HB       GLU  58  -1.034  -0.499  13.353
  239   1HG   GLU  58          1HG       GLU  58   1.347  -2.178  12.465
  240   2HG   GLU  58          2HG       GLU  58   1.031  -1.815  14.147
  241    H    GLU  59           H        GLU  59   1.556  -1.752  10.547
  242    HA   GLU  59           HA       GLU  59   3.669   0.106  10.106
  243   1HB   GLU  59          1HB       GLU  59   3.117  -2.632   8.879
  244   2HB   GLU  59          2HB       GLU  59   4.662  -1.797   8.773
  245   1HG   GLU  59          1HG       GLU  59   3.376  -2.652  11.410
  246   2HG   GLU  59          2HG       GLU  59   4.604  -3.563  10.527
  247    H    ILE  60           H        ILE  60   1.294  -1.391   7.935
  248    HA   ILE  60           HA       ILE  60   2.402  -0.331   5.499
  249    HB   ILE  60           HB       ILE  60  -0.346  -1.412   6.162
  250   1HG1  ILE  60          1HG1      ILE  60   1.855  -2.802   4.590
  251   2HG1  ILE  60          2HG1      ILE  60   1.791  -2.917   6.347
  252   1HG2  ILE  60          1HG2      ILE  60  -0.557  -1.754   3.659
  253   2HG2  ILE  60          2HG2      ILE  60  -0.587  -0.074   4.176
  254   3HG2  ILE  60          3HG2      ILE  60   0.893  -0.750   3.462
  255   1HD1  ILE  60          1HD1      ILE  60  -0.506  -3.835   6.239
  256   2HD1  ILE  60          2HD1      ILE  60  -0.406  -3.844   4.469
  257   3HD1  ILE  60          3HD1      ILE  60   0.703  -4.840   5.427
  258    H    LEU  61           H        LEU  61  -0.355   0.649   7.551
  259    HA   LEU  61           HA       LEU  61  -1.264   2.907   6.211
  260   1HB   LEU  61          1HB       LEU  61  -2.277   1.886   8.216
  261   2HB   LEU  61          2HB       LEU  61  -0.964   2.431   9.223
  262    HG   LEU  61           HG       LEU  61  -1.573   4.731   9.005
  263   1HD1  LEU  61          1HD1      LEU  61  -2.201   4.962   6.694
  264   2HD1  LEU  61          2HD1      LEU  61  -3.505   3.771   6.870
  265   3HD1  LEU  61          3HD1      LEU  61  -3.639   5.369   7.636
  266   1HD2  LEU  61          1HD2      LEU  61  -3.835   4.701   9.958
  267   2HD2  LEU  61          2HD2      LEU  61  -4.099   3.057   9.340
  268   3HD2  LEU  61          3HD2      LEU  61  -2.880   3.350  10.598
  269    H    ASP  62           H        ASP  62   1.234   2.689   8.805
  270    HA   ASP  62           HA       ASP  62   1.797   5.481   8.719
  271   1HB   ASP  62          1HB       ASP  62   2.427   3.953  10.596
  272   2HB   ASP  62          2HB       ASP  62   3.724   3.295   9.583
  273    H    ILE  63           H        ILE  63   3.203   2.702   6.964
  274    HA   ILE  63           HA       ILE  63   5.327   4.234   5.756
  275    HB   ILE  63           HB       ILE  63   4.061   1.535   5.332
  276   1HG1  ILE  63          1HG1      ILE  63   6.937   2.495   5.709
  277   2HG1  ILE  63          2HG1      ILE  63   5.842   1.998   7.007
  278   1HG2  ILE  63          1HG2      ILE  63   4.236   2.167   3.037
  279   2HG2  ILE  63          2HG2      ILE  63   5.884   2.824   3.271
  280   3HG2  ILE  63          3HG2      ILE  63   5.564   1.088   3.413
  281   1HD1  ILE  63          1HD1      ILE  63   5.680  -0.279   5.894
  282   2HD1  ILE  63          2HD1      ILE  63   7.013   0.235   4.826
  283   3HD1  ILE  63          3HD1      ILE  63   7.264   0.148   6.570
  284    H    ILE  64           H        ILE  64   1.969   3.568   4.652
  285    HA   ILE  64           HA       ILE  64   2.253   4.855   2.102
  286    HB   ILE  64           HB       ILE  64  -0.135   4.603   3.968
  287   1HG1  ILE  64          1HG1      ILE  64   0.361   3.103   1.391
  288   2HG1  ILE  64          2HG1      ILE  64   1.084   2.517   2.892
  289   1HG2  ILE  64          1HG2      ILE  64  -0.588   6.464   2.458
  290   2HG2  ILE  64          2HG2      ILE  64   0.027   5.543   1.071
  291   3HG2  ILE  64          3HG2      ILE  64  -1.482   5.069   1.868
  292   1HD1  ILE  64          1HD1      ILE  64  -1.101   1.447   2.461
  293   2HD1  ILE  64          2HD1      ILE  64  -1.086   2.354   3.979
  294   3HD1  ILE  64          3HD1      ILE  64  -1.890   3.032   2.558
  295    H    LEU  65           H        LEU  65   1.265   6.088   5.302
  296    HA   LEU  65           HA       LEU  65   0.879   8.790   4.462
  297   1HB   LEU  65          1HB       LEU  65   1.471   7.556   7.169
  298   2HB   LEU  65          2HB       LEU  65   0.985   9.234   6.943
  299    HG   LEU  65           HG       LEU  65  -0.800   6.910   5.994
  300   1HD1  LEU  65          1HD1      LEU  65  -0.799   8.413   8.658
  301   2HD1  LEU  65          2HD1      LEU  65  -2.018   7.240   8.121
  302   3HD1  LEU  65          3HD1      LEU  65  -0.357   6.710   8.438
  303   1HD2  LEU  65          1HD2      LEU  65  -1.311   9.834   6.574
  304   2HD2  LEU  65          2HD2      LEU  65  -1.310   9.021   4.984
  305   3HD2  LEU  65          3HD2      LEU  65  -2.545   8.612   6.186
  306    H    ASN  66           H        ASN  66   3.755   7.081   5.616
  307    HA   ASN  66           HA       ASN  66   5.288   9.587   5.963
  308   1HB   ASN  66          1HB       ASN  66   5.754   6.684   6.745
  309   2HB   ASN  66          2HB       ASN  66   7.007   7.881   6.851
  310   1HD2  ASN  66          1HD2      ASN  66   3.683   7.291   7.860
  311   2HD2  ASN  66          2HD2      ASN  66   3.916   7.728   9.511
  312    H    GLY  67           H        GLY  67   5.669   6.444   4.243
  313   1HA   GLY  67          1HA       GLY  67   6.643   6.596   1.936
  314   2HA   GLY  67          2HA       GLY  67   7.946   7.550   2.665
  315    H    GLN  68           H        GLN  68   9.139   5.705   1.674
  316    HA   GLN  68           HA       GLN  68  10.212   4.061   3.708
  317   1HB   GLN  68          1HB       GLN  68   8.428   2.283   3.010
  318   2HB   GLN  68          2HB       GLN  68   8.832   2.667   1.354
  319   1HG   GLN  68          1HG       GLN  68   9.795   0.598   2.062
  320   2HG   GLN  68          2HG       GLN  68  11.099   1.713   1.670
  321   1HE2  GLN  68          1HE2      GLN  68  10.636  -0.794   3.453
  322   2HE2  GLN  68          2HE2      GLN  68  11.509  -0.321   4.905
  323    H    GLY  69           H        GLY  69  12.443   4.133   3.083
  324   1HA   GLY  69          1HA       GLY  69  14.262   4.717   1.762
  325   2HA   GLY  69          2HA       GLY  69  13.581   3.484   0.698
  326    H    GLY  70           H        GLY  70  13.085   4.159  -1.408
  327   1HA   GLY  70          1HA       GLY  70  13.370   6.982  -2.111
  328   2HA   GLY  70          2HA       GLY  70  13.124   5.594  -3.175
  329    H    MET  71           H        MET  71  10.677   5.049  -1.161
  330    HA   MET  71           HA       MET  71   8.661   5.986  -2.940
  331   1HB   MET  71          1HB       MET  71   8.563   3.988  -1.443
  332   2HB   MET  71          2HB       MET  71   8.454   5.040  -0.066
  333   1HG   MET  71          1HG       MET  71   6.363   5.892  -0.620
  334   2HG   MET  71          2HG       MET  71   6.319   5.098  -2.193
  335   1HE   MET  71          1HE       MET  71   3.861   3.463   0.798
  336   2HE   MET  71          2HE       MET  71   4.621   5.059   0.967
  337   3HE   MET  71          3HE       MET  71   3.801   4.613  -0.551
  338    HA   PRO  72           HA       PRO  72   8.826  10.148  -1.323
  339   1HB   PRO  72          1HB       PRO  72   6.511  11.236  -2.393
  340   2HB   PRO  72          2HB       PRO  72   8.006  10.921  -3.318
  341   1HG   PRO  72          1HG       PRO  72   5.557   9.164  -3.109
  342   2HG   PRO  72          2HG       PRO  72   6.444   9.633  -4.587
  343   1HD   PRO  72          1HD       PRO  72   6.894   7.247  -3.417
  344   2HD   PRO  72          2HD       PRO  72   8.281   8.201  -4.039
  345    H    GLY  73           H        GLY  73   5.808   8.324  -0.901
  346   1HA   GLY  73          1HA       GLY  73   4.640   7.964   1.075
  347   2HA   GLY  73          2HA       GLY  73   5.698   9.110   1.911
  348    H    GLY  74           H        GLY  74   2.991   9.088   2.333
  349   1HA   GLY  74          1HA       GLY  74   1.183  10.516   2.496
  350   2HA   GLY  74          2HA       GLY  74   2.200  11.830   1.873
  351    H    ILE  75           H        ILE  75   1.808   8.800   0.171
  352    HA   ILE  75           HA       ILE  75   0.954  10.061  -2.273
  353    HB   ILE  75           HB       ILE  75   1.261   7.208  -1.300
  354   1HG1  ILE  75          1HG1      ILE  75   2.815   8.379  -3.588
  355   2HG1  ILE  75          2HG1      ILE  75   3.187   9.039  -1.995
  356   1HG2  ILE  75          1HG2      ILE  75   1.041   6.496  -3.694
  357   2HG2  ILE  75          2HG2      ILE  75  -0.478   7.063  -2.998
  358   3HG2  ILE  75          3HG2      ILE  75   0.449   8.119  -4.089
  359   1HD1  ILE  75          1HD1      ILE  75   3.787   6.928  -1.102
  360   2HD1  ILE  75          2HD1      ILE  75   3.106   6.065  -2.490
  361   3HD1  ILE  75          3HD1      ILE  75   4.578   7.027  -2.692
  362    H    ALA  76           H        ALA  76  -0.675   8.564   0.464
  363    HA   ALA  76           HA       ALA  76  -3.263   9.448  -0.545
  364   1HB   ALA  76          1HB       ALA  76  -2.535   6.617   0.364
  365   2HB   ALA  76          2HB       ALA  76  -4.184   7.224   0.464
  366   3HB   ALA  76          3HB       ALA  76  -3.386   7.096  -1.121
  367    H    LYS  77           H        LYS  77  -4.709   9.830   1.376
  368    HA   LYS  77           HA       LYS  77  -3.359   9.519   3.983
  369   1HB   LYS  77          1HB       LYS  77  -2.984  11.936   2.708
  370   2HB   LYS  77          2HB       LYS  77  -4.431  12.275   3.670
  371   1HG   LYS  77          1HG       LYS  77  -3.170  11.302   5.668
  372   2HG   LYS  77          2HG       LYS  77  -1.742  11.209   4.603
  373   1HD   LYS  77          1HD       LYS  77  -1.836  13.647   4.262
  374   2HD   LYS  77          2HD       LYS  77  -3.208  13.774   5.370
  375   1HE   LYS  77          1HE       LYS  77  -0.412  12.702   6.068
  376   2HE   LYS  77          2HE       LYS  77  -0.994  14.329   6.433
  377   1HZ   LYS  77          1HZ       LYS  77  -2.675  13.351   7.851
  378   2HZ   LYS  77          2HZ       LYS  77  -2.118  11.834   7.530
  379   3HZ   LYS  77          3HZ       LYS  77  -1.167  12.903   8.326
  380    H    GLY  78           H        GLY  78  -4.563   9.738   5.862
  381   1HA   GLY  78          1HA       GLY  78  -6.398   9.544   7.184
  382   2HA   GLY  78          2HA       GLY  78  -7.317  10.443   5.963
  383    H    ALA  79           H        ALA  79  -9.127   9.151   5.950
  384    HA   ALA  79           HA       ALA  79  -9.621   6.523   5.975
  385   1HB   ALA  79          1HB       ALA  79 -11.339   8.234   5.695
  386   2HB   ALA  79          2HB       ALA  79 -10.839   8.492   4.006
  387   3HB   ALA  79          3HB       ALA  79 -11.540   6.936   4.503
  388    H    GLU  80           H        GLU  80  -8.165   8.216   3.215
  389    HA   GLU  80           HA       GLU  80  -8.320   6.180   1.245
  390   1HB   GLU  80          1HB       GLU  80  -7.661   8.733   1.190
  391   2HB   GLU  80          2HB       GLU  80  -6.059   8.145   1.606
  392   1HG   GLU  80          1HG       GLU  80  -6.163   6.758  -0.544
  393   2HG   GLU  80          2HG       GLU  80  -7.664   7.613  -0.915
  394    H    ALA  81           H        ALA  81  -5.581   7.038   3.503
  395    HA   ALA  81           HA       ALA  81  -4.002   4.770   2.673
  396   1HB   ALA  81          1HB       ALA  81  -3.024   6.898   3.479
  397   2HB   ALA  81          2HB       ALA  81  -3.737   6.614   5.084
  398   3HB   ALA  81          3HB       ALA  81  -2.497   5.509   4.443
  399    H    GLU  82           H        GLU  82  -6.174   5.545   5.403
  400    HA   GLU  82           HA       GLU  82  -5.709   3.257   7.033
  401   1HB   GLU  82          1HB       GLU  82  -8.224   4.886   6.557
  402   2HB   GLU  82          2HB       GLU  82  -8.005   3.761   7.896
  403   1HG   GLU  82          1HG       GLU  82  -6.384   5.112   8.955
  404   2HG   GLU  82          2HG       GLU  82  -6.049   6.059   7.507
  405    H    ALA  83           H        ALA  83  -8.094   3.810   4.387
  406    HA   ALA  83           HA       ALA  83  -9.230   1.223   4.444
  407   1HB   ALA  83          1HB       ALA  83 -10.234   3.117   3.238
  408   2HB   ALA  83          2HB       ALA  83  -8.911   3.075   2.047
  409   3HB   ALA  83          3HB       ALA  83 -10.033   1.704   2.205
  410    H    VAL  84           H        VAL  84  -6.391   2.485   2.526
  411    HA   VAL  84           HA       VAL  84  -5.813  -0.037   1.327
  412    HB   VAL  84           HB       VAL  84  -3.779   2.032   2.168
  413   1HG1  VAL  84          1HG1      VAL  84  -2.698  -0.151   1.827
  414   2HG1  VAL  84          2HG1      VAL  84  -3.680  -0.447   0.379
  415   3HG1  VAL  84          3HG1      VAL  84  -2.442   0.798   0.377
  416   1HG2  VAL  84          1HG2      VAL  84  -5.281   2.994   0.476
  417   2HG2  VAL  84          2HG2      VAL  84  -3.706   2.593  -0.240
  418   3HG2  VAL  84          3HG2      VAL  84  -5.112   1.537  -0.523
  419    H    ALA  85           H        ALA  85  -4.710   1.256   4.514
  420    HA   ALA  85           HA       ALA  85  -3.017  -0.858   5.193
  421   1HB   ALA  85          1HB       ALA  85  -3.352  -0.158   7.478
  422   2HB   ALA  85          2HB       ALA  85  -3.425   1.284   6.446
  423   3HB   ALA  85          3HB       ALA  85  -4.906   0.584   7.124
  424    H    ALA  86           H        ALA  86  -6.513  -0.579   5.955
  425    HA   ALA  86           HA       ALA  86  -6.845  -3.172   7.038
  426   1HB   ALA  86          1HB       ALA  86  -8.494  -1.384   7.291
  427   2HB   ALA  86          2HB       ALA  86  -8.854  -1.422   5.552
  428   3HB   ALA  86          3HB       ALA  86  -9.250  -2.822   6.575
  429    H    TRP  87           H        TRP  87  -7.583  -2.076   3.688
  430    HA   TRP  87           HA       TRP  87  -8.456  -4.562   2.666
  431   1HB   TRP  87          1HB       TRP  87  -8.892  -2.471   1.580
  432   2HB   TRP  87          2HB       TRP  87  -7.140  -2.155   1.441
  433    HD1  TRP  87           HD       TRP  87  -9.879  -4.153  -0.400
  434    HE1  TRP  87           1HE      TRP  87  -8.892  -5.109  -2.534
  435    HE3  TRP  87           3HE      TRP  87  -5.162  -2.236  -0.005
  436    HZ2  TRP  87           2HZ      TRP  87  -5.365  -5.191  -2.791
  437    HZ3  TRP  87           3HZ      TRP  87  -3.791  -2.188  -2.059
  438    HH2  TRP  87           HH       TRP  87  -4.494  -3.397  -4.098
  439    H    LEU  88           H        LEU  88  -5.190  -3.113   2.678
  440    HA   LEU  88           HA       LEU  88  -4.076  -5.163   1.068
  441   1HB   LEU  88          1HB       LEU  88  -3.269  -2.723   1.435
  442   2HB   LEU  88          2HB       LEU  88  -2.380  -3.392   2.799
  443    HG   LEU  88           HG       LEU  88  -1.204  -3.106   0.685
  444   1HD1  LEU  88          1HD1      LEU  88  -1.361  -6.095   1.216
  445   2HD1  LEU  88          2HD1      LEU  88   0.028  -5.084   0.805
  446   3HD1  LEU  88          3HD1      LEU  88  -0.666  -4.974   2.436
  447   1HD2  LEU  88          1HD2      LEU  88  -1.261  -4.599  -1.173
  448   2HD2  LEU  88          2HD2      LEU  88  -2.855  -5.186  -0.669
  449   3HD2  LEU  88          3HD2      LEU  88  -2.571  -3.459  -1.010
  450    H    ALA  89           H        ALA  89  -4.162  -4.496   4.572
  451    HA   ALA  89           HA       ALA  89  -2.746  -6.788   5.503
  452   1HB   ALA  89          1HB       ALA  89  -3.322  -4.983   6.968
  453   2HB   ALA  89          2HB       ALA  89  -5.062  -5.310   6.780
  454   3HB   ALA  89          3HB       ALA  89  -4.012  -6.501   7.573
  455    H    GLU  90           H        GLU  90  -6.133  -6.341   4.453
  456    HA   GLU  90           HA       GLU  90  -6.908  -9.055   5.006
  457   1HB   GLU  90          1HB       GLU  90  -8.385  -7.180   5.087
  458   2HB   GLU  90          2HB       GLU  90  -8.158  -6.806   3.392
  459   1HG   GLU  90          1HG       GLU  90  -9.276  -9.506   4.228
  460   2HG   GLU  90          2HG       GLU  90 -10.301  -8.066   4.168
  461    H    LYS  91           H        LYS  91  -4.877  -7.824   2.467
  462    HA   LYS  91           HA       LYS  91  -6.078  -9.367   0.324
  463   1HB   LYS  91          1HB       LYS  91  -4.599  -7.098   0.579
  464   2HB   LYS  91          2HB       LYS  91  -3.331  -8.173   0.061
  465   1HG   LYS  91          1HG       LYS  91  -6.025  -7.752  -1.346
  466   2HG   LYS  91          2HG       LYS  91  -4.595  -6.766  -1.626
  467   1HD   LYS  91          1HD       LYS  91  -4.670  -9.749  -2.206
  468   2HD   LYS  91          2HD       LYS  91  -4.987  -8.469  -3.378
  469   1HE   LYS  91          1HE       LYS  91  -2.719  -7.473  -2.839
  470   2HE   LYS  91          2HE       LYS  91  -2.387  -8.895  -1.837
  471   1HZ   LYS  91          1HZ       LYS  91  -1.931 -10.077  -3.601
  472   2HZ   LYS  91          2HZ       LYS  91  -3.187  -9.512  -4.543
  473   3HZ   LYS  91          3HZ       LYS  91  -1.748  -8.706  -4.389
  474    H    LYS  92           H        LYS  92  -3.865 -10.073   2.749
  475    HA   LYS  92           HA       LYS  92  -1.614 -10.959   1.406
  476   1HB   LYS  92          1HB       LYS  92  -0.843 -11.542   3.530
  477   2HB   LYS  92          2HB       LYS  92  -1.754 -10.026   3.527
  478   1HG   LYS  92          1HG       LYS  92  -3.778 -11.493   4.323
  479   2HG   LYS  92          2HG       LYS  92  -2.572 -12.739   4.658
  480   1HD   LYS  92          1HD       LYS  92  -1.486 -11.335   6.324
  481   2HD   LYS  92          2HD       LYS  92  -2.350  -9.912   5.749
  482   1HE   LYS  92          1HE       LYS  92  -3.408 -10.470   7.762
  483   2HE   LYS  92          2HE       LYS  92  -4.523 -10.948   6.477
  484   1HZ   LYS  92          1HZ       LYS  92  -3.701 -13.199   6.703
  485   2HZ   LYS  92          2HZ       LYS  92  -2.719 -12.741   7.949
  486   3HZ   LYS  92          3HZ       LYS  92  -4.357 -12.648   8.112
  487    HHA  HEC  93           HHA      HEC  93   8.563  -0.059   0.393
  488    HHB  HEC  93           HHB      HEC  93   2.143   0.090   0.732
  489    HHC  HEC  93           HHC      HEC  93   2.226   4.370  -4.089
  490    HHD  HEC  93           HHD      HEC  93   8.466   3.384  -4.955
  491   1HMA  HEC  93          1HMA      HEC  93   4.141  -0.972   3.468
  492   2HMA  HEC  93          2HMA      HEC  93   2.935  -1.406   2.240
  493   3HMA  HEC  93          3HMA      HEC  93   4.361  -2.424   2.471
  494   1HAA  HEC  93          1HAA      HEC  93   6.774  -1.754   3.080
  495   2HAA  HEC  93          2HAA      HEC  93   7.918  -0.578   2.550
  496   1HBA  HEC  93          1HBA      HEC  93   7.942  -2.055   0.385
  497   2HBA  HEC  93          2HBA      HEC  93   7.220  -3.302   1.398
  498   1HMB  HEC  93          1HMB      HEC  93  -0.904   1.743  -0.692
  499   2HMB  HEC  93          2HMB      HEC  93  -0.206   0.164  -1.064
  500   3HMB  HEC  93          3HMB      HEC  93   0.096   0.929   0.510
  501    HAB  HEC  93           HAB      HEC  93   0.271   4.152  -3.504
  502   1HBB  HEC  93          1HBB      HEC  93  -1.161   3.838  -0.850
  503   2HBB  HEC  93          2HBB      HEC  93  -0.092   5.159  -1.321
  504   3HBB  HEC  93          3HBB      HEC  93  -1.599   4.873  -2.211
  505   1HMC  HEC  93          1HMC      HEC  93   2.850   4.737  -6.372
  506   2HMC  HEC  93          2HMC      HEC  93   3.226   6.239  -5.502
  507   3HMC  HEC  93          3HMC      HEC  93   4.116   5.795  -6.971
  508    HAC  HEC  93           HAC      HEC  93   7.834   4.683  -6.477
  509   1HBC  HEC  93          1HBC      HEC  93   7.324   6.866  -7.526
  510   2HBC  HEC  93          2HBC      HEC  93   5.882   7.001  -6.504
  511   3HBC  HEC  93          3HBC      HEC  93   7.486   6.898  -5.768
  512   1HMD  HEC  93          1HMD      HEC  93  10.114   1.943  -5.056
  513   2HMD  HEC  93          2HMD      HEC  93  11.167   2.799  -3.900
  514   3HMD  HEC  93          3HMD      HEC  93  11.198   1.019  -4.030
  515   1HAD  HEC  93          1HAD      HEC  93  10.868  -0.478  -1.276
  516   2HAD  HEC  93          2HAD      HEC  93  10.451   0.510  -0.005
  517   1HBD  HEC  93          1HBD      HEC  93  12.642   0.887  -0.109
  518   2HBD  HEC  93          2HBD      HEC  93  11.764   2.366  -0.479
  Start of MODEL   23
    1   1H    VAL  22          1H        VAL  22 -13.989   4.338   0.515
    2   2H    VAL  22          2H        VAL  22 -12.649   4.437   1.474
    3   3H    VAL  22          3H        VAL  22 -13.576   5.815   1.188
    4    HA   VAL  22           HA       VAL  22 -13.130   5.494  -1.158
    5    HB   VAL  22           HB       VAL  22 -10.504   5.670   0.380
    6   1HG1  VAL  22          1HG1      VAL  22 -10.309   5.453  -2.083
    7   2HG1  VAL  22          2HG1      VAL  22 -11.467   6.776  -2.308
    8   3HG1  VAL  22          3HG1      VAL  22  -9.883   7.096  -1.584
    9   1HG2  VAL  22          1HG2      VAL  22 -12.022   7.306   1.397
   10   2HG2  VAL  22          2HG2      VAL  22 -10.879   8.140   0.340
   11   3HG2  VAL  22          3HG2      VAL  22 -12.542   7.865  -0.214
   12    H    ASP  23           H        ASP  23 -12.882   3.936  -2.447
   13    HA   ASP  23           HA       ASP  23 -12.770   1.347  -1.814
   14   1HB   ASP  23          1HB       ASP  23 -12.253   2.645  -4.516
   15   2HB   ASP  23          2HB       ASP  23 -12.797   0.977  -4.269
   16    H    ALA  24           H        ALA  24 -11.072   0.592  -0.741
   17    HA   ALA  24           HA       ALA  24  -8.515   1.356  -0.757
   18   1HB   ALA  24          1HB       ALA  24  -9.375  -1.528  -0.340
   19   2HB   ALA  24          2HB       ALA  24  -7.949  -0.692   0.331
   20   3HB   ALA  24          3HB       ALA  24  -9.583  -0.257   0.866
   21    H    GLU  25           H        GLU  25  -9.720  -1.475  -2.655
   22    HA   GLU  25           HA       GLU  25  -7.178  -1.937  -3.818
   23   1HB   GLU  25          1HB       GLU  25  -8.100  -3.605  -5.065
   24   2HB   GLU  25          2HB       GLU  25  -9.254  -3.502  -3.729
   25   1HG   GLU  25          1HG       GLU  25 -10.705  -2.094  -5.132
   26   2HG   GLU  25          2HG       GLU  25  -9.550  -2.327  -6.506
   27    H    ALA  26           H        ALA  26  -9.942   0.119  -4.915
   28    HA   ALA  26           HA       ALA  26  -8.954   0.756  -7.457
   29   1HB   ALA  26          1HB       ALA  26 -11.201   1.415  -6.549
   30   2HB   ALA  26          2HB       ALA  26 -10.382   2.744  -5.682
   31   3HB   ALA  26          3HB       ALA  26 -10.332   2.679  -7.444
   32    H    VAL  27           H        VAL  27  -8.356   2.448  -4.354
   33    HA   VAL  27           HA       VAL  27  -6.293   4.314  -5.194
   34    HB   VAL  27           HB       VAL  27  -6.575   2.717  -2.594
   35   1HG1  VAL  27          1HG1      VAL  27  -5.224   4.380  -1.527
   36   2HG1  VAL  27          2HG1      VAL  27  -4.299   3.754  -2.896
   37   3HG1  VAL  27          3HG1      VAL  27  -5.112   5.334  -3.006
   38   1HG2  VAL  27          1HG2      VAL  27  -8.587   4.123  -3.090
   39   2HG2  VAL  27          2HG2      VAL  27  -7.691   4.661  -1.668
   40   3HG2  VAL  27          3HG2      VAL  27  -7.529   5.540  -3.204
   41    H    VAL  28           H        VAL  28  -5.785   0.826  -3.979
   42    HA   VAL  28           HA       VAL  28  -3.041   1.275  -4.804
   43    HB   VAL  28           HB       VAL  28  -4.510  -1.086  -3.833
   44   1HG1  VAL  28          1HG1      VAL  28  -2.520  -2.131  -4.286
   45   2HG1  VAL  28          2HG1      VAL  28  -1.657  -0.619  -4.418
   46   3HG1  VAL  28          3HG1      VAL  28  -1.872  -1.340  -2.838
   47   1HG2  VAL  28          1HG2      VAL  28  -3.477  -0.424  -1.548
   48   2HG2  VAL  28          2HG2      VAL  28  -3.155   1.148  -2.275
   49   3HG2  VAL  28          3HG2      VAL  28  -4.807   0.542  -2.138
   50    H    GLN  29           H        GLN  29  -5.699   0.574  -6.632
   51    HA   GLN  29           HA       GLN  29  -4.201  -0.876  -8.730
   52   1HB   GLN  29          1HB       GLN  29  -7.125  -0.238  -8.243
   53   2HB   GLN  29          2HB       GLN  29  -6.579  -0.914  -9.755
   54   1HG   GLN  29          1HG       GLN  29  -6.075  -2.282  -7.084
   55   2HG   GLN  29          2HG       GLN  29  -7.454  -2.590  -8.139
   56   1HE2  GLN  29          1HE2      GLN  29  -3.920  -2.871  -7.812
   57   2HE2  GLN  29          2HE2      GLN  29  -3.703  -4.041  -9.092
   58    H    GLN  30           H        GLN  30  -4.631   2.300  -7.710
   59    HA   GLN  30           HA       GLN  30  -3.715   3.181 -10.402
   60   1HB   GLN  30          1HB       GLN  30  -6.294   3.680  -9.291
   61   2HB   GLN  30          2HB       GLN  30  -5.424   5.196  -9.133
   62   1HG   GLN  30          1HG       GLN  30  -4.913   5.225 -11.527
   63   2HG   GLN  30          2HG       GLN  30  -5.453   3.548 -11.716
   64   1HE2  GLN  30          1HE2      GLN  30  -6.993   6.465 -10.206
   65   2HE2  GLN  30          2HE2      GLN  30  -8.472   6.285 -11.141
   66    H    LYS  31           H        LYS  31  -3.150   3.383  -7.049
   67    HA   LYS  31           HA       LYS  31  -1.499   5.840  -7.307
   68   1HB   LYS  31          1HB       LYS  31  -2.815   4.319  -5.014
   69   2HB   LYS  31          2HB       LYS  31  -1.621   5.503  -4.702
   70   1HG   LYS  31          1HG       LYS  31  -4.063   6.187  -6.363
   71   2HG   LYS  31          2HG       LYS  31  -3.993   6.316  -4.599
   72   1HD   LYS  31          1HD       LYS  31  -1.964   7.745  -4.784
   73   2HD   LYS  31          2HD       LYS  31  -2.202   7.827  -6.545
   74   1HE   LYS  31          1HE       LYS  31  -4.433   8.857  -6.131
   75   2HE   LYS  31          2HE       LYS  31  -4.181   8.665  -4.377
   76   1HZ   LYS  31          1HZ       LYS  31  -3.696  10.872  -5.122
   77   2HZ   LYS  31          2HZ       LYS  31  -2.407  10.127  -4.409
   78   3HZ   LYS  31          3HZ       LYS  31  -2.460  10.319  -6.064
   79    H    CYS  32           H        CYS  32  -1.379   2.541  -5.885
   80    HA   CYS  32           HA       CYS  32   1.474   2.839  -5.408
   81   1HB   CYS  32          1HB       CYS  32  -0.004   0.280  -5.149
   82   2HB   CYS  32          2HB       CYS  32   1.305   0.860  -4.154
   83    H    ILE  33           H        ILE  33  -0.595   0.998  -7.631
   84    HA   ILE  33           HA       ILE  33   1.215  -0.664  -8.807
   85    HB   ILE  33           HB       ILE  33  -0.066  -0.706 -10.781
   86   1HG1  ILE  33          1HG1      ILE  33  -1.676   1.750  -9.994
   87   2HG1  ILE  33          2HG1      ILE  33  -0.335   1.830 -11.140
   88   1HG2  ILE  33          1HG2      ILE  33  -1.051  -1.529  -8.551
   89   2HG2  ILE  33          2HG2      ILE  33  -2.044  -0.048  -8.634
   90   3HG2  ILE  33          3HG2      ILE  33  -2.209  -1.297  -9.867
   91   1HD1  ILE  33          1HD1      ILE  33  -2.716   0.015 -11.575
   92   2HD1  ILE  33          2HD1      ILE  33  -2.464   1.610 -12.305
   93   3HD1  ILE  33          3HD1      ILE  33  -1.340   0.282 -12.655
   94    H    SER  34           H        SER  34   0.967   2.777  -9.195
   95    HA   SER  34           HA       SER  34   2.405   3.392 -11.431
   96   1HB   SER  34          1HB       SER  34   1.277   4.942  -9.700
   97   2HB   SER  34          2HB       SER  34   2.798   4.857  -8.798
   98    HG   SER  34           HG       SER  34   3.775   5.513 -10.902
   99    H    CYS  35           H        CYS  35   3.697   2.024  -8.416
  100    HA   CYS  35           HA       CYS  35   6.308   1.761  -9.805
  101   1HB   CYS  35          1HB       CYS  35   6.254   2.098  -6.792
  102   2HB   CYS  35          2HB       CYS  35   7.586   2.242  -7.918
  103    H    HIS  36           H        HIS  36   4.098   0.439  -7.272
  104    HA   HIS  36           HA       HIS  36   5.613  -2.005  -7.048
  105   1HB   HIS  36          1HB       HIS  36   2.857  -1.193  -6.095
  106   2HB   HIS  36          2HB       HIS  36   3.601  -2.757  -5.751
  107    HD1  HIS  36           1HD      HIS  36   5.822  -2.757  -4.154
  108    HD2  HIS  36           2HD      HIS  36   3.731   0.890  -4.602
  109    HE1  HIS  36           1HE      HIS  36   6.577  -1.222  -2.266
  110    H    GLY  37           H        GLY  37   3.398  -0.990  -9.501
  111   1HA   GLY  37          1HA       GLY  37   2.980  -2.128 -11.443
  112   2HA   GLY  37          2HA       GLY  37   3.537  -3.654 -10.740
  113    H    GLY  38           H        GLY  38   1.162  -3.296 -12.299
  114   1HA   GLY  38          1HA       GLY  38  -1.267  -2.816 -11.206
  115   2HA   GLY  38          2HA       GLY  38  -0.975  -4.117 -12.352
  116    H    ASP  39           H        ASP  39   0.387  -5.986 -11.008
  117    HA   ASP  39           HA       ASP  39  -1.663  -7.124  -9.288
  118   1HB   ASP  39          1HB       ASP  39   1.022  -8.199 -10.238
  119   2HB   ASP  39          2HB       ASP  39  -0.240  -9.135  -9.424
  120    H    LEU  40           H        LEU  40   0.943  -5.090  -8.622
  121    HA   LEU  40           HA       LEU  40   2.056  -4.459  -6.784
  122   1HB   LEU  40          1HB       LEU  40   0.036  -6.105  -5.230
  123   2HB   LEU  40          2HB       LEU  40   1.019  -4.788  -4.619
  124    HG   LEU  40           HG       LEU  40  -0.701  -4.162  -7.043
  125   1HD1  LEU  40          1HD1      LEU  40  -2.208  -5.492  -5.672
  126   2HD1  LEU  40          2HD1      LEU  40  -1.893  -4.424  -4.283
  127   3HD1  LEU  40          3HD1      LEU  40  -2.661  -3.791  -5.770
  128   1HD2  LEU  40          1HD2      LEU  40  -0.756  -2.007  -6.102
  129   2HD2  LEU  40          2HD2      LEU  40  -0.116  -2.582  -4.548
  130   3HD2  LEU  40          3HD2      LEU  40   0.915  -2.559  -5.992
  131    H    THR  41           H        THR  41   2.661  -6.994  -8.222
  132    HA   THR  41           HA       THR  41   4.065  -8.768  -6.455
  133    HB   THR  41           HB       THR  41   4.832  -9.517  -8.840
  134    HG1  THR  41           1HG      THR  41   4.450  -7.665 -10.000
  135   1HG2  THR  41          1HG2      THR  41   2.992 -10.658  -7.698
  136   2HG2  THR  41          2HG2      THR  41   1.859  -9.369  -8.145
  137   3HG2  THR  41          3HG2      THR  41   2.563 -10.401  -9.403
  138    H    GLY  42           H        GLY  42   4.747  -5.580  -7.684
  139   1HA   GLY  42          1HA       GLY  42   6.522  -4.421  -6.840
  140   2HA   GLY  42          2HA       GLY  42   7.474  -5.895  -6.614
  141    H    ALA  43           H        ALA  43   6.437  -3.484  -8.970
  142    HA   ALA  43           HA       ALA  43   8.254  -4.556 -11.050
  143   1HB   ALA  43          1HB       ALA  43   7.384  -2.647 -12.390
  144   2HB   ALA  43          2HB       ALA  43   6.137  -3.775 -11.822
  145   3HB   ALA  43          3HB       ALA  43   6.327  -2.205 -11.033
  146    H    SER  44           H        SER  44   7.876  -1.155 -10.023
  147    HA   SER  44           HA       SER  44  10.810  -0.766 -10.064
  148   1HB   SER  44          1HB       SER  44   8.515   1.204  -9.790
  149   2HB   SER  44          2HB       SER  44  10.219   1.617  -9.999
  150    HG   SER  44           HG       SER  44  10.125   0.493 -12.022
  151    H    ALA  45           H        ALA  45   8.758  -1.908  -7.795
  152    HA   ALA  45           HA       ALA  45  10.197  -0.823  -5.469
  153   1HB   ALA  45          1HB       ALA  45   8.031  -0.327  -4.371
  154   2HB   ALA  45          2HB       ALA  45   8.217   0.666  -5.821
  155   3HB   ALA  45          3HB       ALA  45   7.168  -0.754  -5.860
  156    HA   PRO  46           HA       PRO  46   9.894  -5.128  -4.638
  157   1HB   PRO  46          1HB       PRO  46   9.435  -5.397  -1.920
  158   2HB   PRO  46          2HB       PRO  46  10.984  -4.858  -2.627
  159   1HG   PRO  46          1HG       PRO  46   8.728  -3.138  -1.588
  160   2HG   PRO  46          2HG       PRO  46  10.466  -3.030  -1.175
  161   1HD   PRO  46          1HD       PRO  46   9.369  -1.415  -3.048
  162   2HD   PRO  46          2HD       PRO  46  10.977  -2.129  -3.353
  163    H    ALA  47           H        ALA  47   8.501  -6.925  -3.872
  164    HA   ALA  47           HA       ALA  47   5.798  -6.617  -4.764
  165   1HB   ALA  47          1HB       ALA  47   5.591  -8.964  -4.178
  166   2HB   ALA  47          2HB       ALA  47   7.203  -8.740  -4.884
  167   3HB   ALA  47          3HB       ALA  47   7.022  -8.893  -3.132
  168    H    ILE  48           H        ILE  48   4.146  -5.747  -3.603
  169    HA   ILE  48           HA       ILE  48   4.288  -6.025  -0.634
  170    HB   ILE  48           HB       ILE  48   3.202  -3.934  -0.252
  171   1HG1  ILE  48          1HG1      ILE  48   3.357  -2.182  -2.125
  172   2HG1  ILE  48          2HG1      ILE  48   3.303  -3.541  -3.248
  173   1HG2  ILE  48          1HG2      ILE  48   5.652  -4.149  -0.216
  174   2HG2  ILE  48          2HG2      ILE  48   5.711  -3.654  -1.918
  175   3HG2  ILE  48          3HG2      ILE  48   5.124  -2.528  -0.684
  176   1HD1  ILE  48          1HD1      ILE  48   1.091  -2.426  -2.724
  177   2HD1  ILE  48          2HD1      ILE  48   1.062  -4.150  -2.290
  178   3HD1  ILE  48          3HD1      ILE  48   1.264  -2.901  -1.037
  179    H    ASP  49           H        ASP  49   2.688  -7.146  -3.310
  180    HA   ASP  49           HA       ASP  49   0.082  -7.552  -2.514
  181   1HB   ASP  49          1HB       ASP  49   0.299  -9.779  -3.541
  182   2HB   ASP  49          2HB       ASP  49   1.163  -8.570  -4.527
  183    H    LYS  50           H        LYS  50   2.956  -9.126  -1.189
  184    HA   LYS  50           HA       LYS  50   1.378 -10.440   0.978
  185   1HB   LYS  50          1HB       LYS  50   4.209 -10.890  -0.034
  186   2HB   LYS  50          2HB       LYS  50   3.510 -11.723   1.360
  187   1HG   LYS  50          1HG       LYS  50   2.512 -11.900  -1.512
  188   2HG   LYS  50          2HG       LYS  50   3.385 -13.133  -0.603
  189   1HD   LYS  50          1HD       LYS  50   1.436 -13.074   1.091
  190   2HD   LYS  50          2HD       LYS  50   0.553 -12.106  -0.109
  191   1HE   LYS  50          1HE       LYS  50   0.815 -13.951  -1.770
  192   2HE   LYS  50          2HE       LYS  50   1.608 -14.923  -0.512
  193   1HZ   LYS  50          1HZ       LYS  50  -0.714 -15.498  -0.545
  194   2HZ   LYS  50          2HZ       LYS  50  -0.453 -14.597   0.830
  195   3HZ   LYS  50          3HZ       LYS  50  -1.205 -13.936  -0.360
  196    H    ALA  51           H        ALA  51   2.541  -7.478   0.727
  197    HA   ALA  51           HA       ALA  51   4.105  -7.109   3.072
  198   1HB   ALA  51          1HB       ALA  51   3.767  -5.392   1.395
  199   2HB   ALA  51          2HB       ALA  51   2.043  -5.255   1.830
  200   3HB   ALA  51          3HB       ALA  51   3.291  -4.813   3.009
  201    H    GLY  52           H        GLY  52   0.481  -7.461   2.616
  202   1HA   GLY  52          1HA       GLY  52  -0.188  -6.961   5.311
  203   2HA   GLY  52          2HA       GLY  52  -1.060  -8.005   4.172
  204    H    ALA  53           H        ALA  53   1.383  -9.785   3.848
  205    HA   ALA  53           HA       ALA  53   0.785 -11.567   6.084
  206   1HB   ALA  53          1HB       ALA  53   3.022 -12.088   4.132
  207   2HB   ALA  53          2HB       ALA  53   1.867 -13.203   4.881
  208   3HB   ALA  53          3HB       ALA  53   1.360 -12.162   3.542
  209    H    ASN  54           H        ASN  54   3.570  -9.717   4.845
  210    HA   ASN  54           HA       ASN  54   5.362 -10.572   6.971
  211   1HB   ASN  54          1HB       ASN  54   5.508  -8.432   4.811
  212   2HB   ASN  54          2HB       ASN  54   6.742  -8.571   6.062
  213   1HD2  ASN  54          1HD2      ASN  54   5.619  -9.933   3.059
  214   2HD2  ASN  54          2HD2      ASN  54   6.876 -11.161   2.985
  215    H    TYR  55           H        TYR  55   3.446  -7.643   6.390
  216    HA   TYR  55           HA       TYR  55   4.281  -6.468   9.001
  217   1HB   TYR  55          1HB       TYR  55   3.618  -5.035   6.400
  218   2HB   TYR  55          2HB       TYR  55   4.207  -4.314   7.893
  219    HD1  TYR  55           1HD      TYR  55   5.284  -4.200   4.918
  220    HD2  TYR  55           2HD      TYR  55   6.497  -6.232   8.530
  221    HE1  TYR  55           1HE      TYR  55   7.667  -4.049   4.224
  222    HE2  TYR  55           2HE      TYR  55   8.846  -6.085   7.825
  223    HH   TYR  55           HH       TYR  55  10.327  -5.218   6.288
  224    H    SER  56           H        SER  56   2.679  -5.043   9.934
  225    HA   SER  56           HA       SER  56  -0.051  -6.087   9.522
  226   1HB   SER  56          1HB       SER  56   1.115  -4.243  11.644
  227   2HB   SER  56          2HB       SER  56  -0.501  -4.985  11.668
  228    HG   SER  56           HG       SER  56   0.550  -7.028  11.632
  229    H    GLU  57           H        GLU  57  -1.857  -4.509   9.717
  230    HA   GLU  57           HA       GLU  57  -1.924  -2.670   7.595
  231   1HB   GLU  57          1HB       GLU  57  -3.984  -1.796   8.762
  232   2HB   GLU  57          2HB       GLU  57  -4.007  -3.495   8.341
  233   1HG   GLU  57          1HG       GLU  57  -3.216  -2.658  11.158
  234   2HG   GLU  57          2HG       GLU  57  -4.896  -2.706  10.644
  235    H    GLU  58           H        GLU  58  -1.215  -2.086  11.077
  236    HA   GLU  58           HA       GLU  58  -0.977   0.702  10.947
  237   1HB   GLU  58          1HB       GLU  58   0.546   0.472  12.915
  238   2HB   GLU  58          2HB       GLU  58  -1.034  -0.295  13.077
  239   1HG   GLU  58          1HG       GLU  58  -0.056  -2.516  12.686
  240   2HG   GLU  58          2HG       GLU  58   1.554  -1.789  12.458
  241    H    GLU  59           H        GLU  59   1.617  -1.712  10.356
  242    HA   GLU  59           HA       GLU  59   3.735   0.125   9.878
  243   1HB   GLU  59          1HB       GLU  59   3.118  -2.665   8.849
  244   2HB   GLU  59          2HB       GLU  59   4.644  -1.851   8.504
  245   1HG   GLU  59          1HG       GLU  59   3.716  -2.205  11.381
  246   2HG   GLU  59          2HG       GLU  59   4.538  -3.505  10.506
  247    H    ILE  60           H        ILE  60   1.424  -1.451   7.668
  248    HA   ILE  60           HA       ILE  60   2.541  -0.372   5.254
  249    HB   ILE  60           HB       ILE  60  -0.193  -1.491   5.907
  250   1HG1  ILE  60          1HG1      ILE  60   2.142  -2.804   4.447
  251   2HG1  ILE  60          2HG1      ILE  60   1.870  -2.972   6.181
  252   1HG2  ILE  60          1HG2      ILE  60  -0.358  -1.887   3.394
  253   2HG2  ILE  60          2HG2      ILE  60  -0.540  -0.223   3.940
  254   3HG2  ILE  60          3HG2      ILE  60   0.992  -0.753   3.212
  255   1HD1  ILE  60          1HD1      ILE  60  -0.494  -3.826   5.588
  256   2HD1  ILE  60          2HD1      ILE  60   0.185  -4.071   3.958
  257   3HD1  ILE  60          3HD1      ILE  60   0.910  -4.879   5.354
  258    H    LEU  61           H        LEU  61  -0.257   0.587   7.238
  259    HA   LEU  61           HA       LEU  61  -1.154   2.903   5.966
  260   1HB   LEU  61          1HB       LEU  61  -2.129   1.819   7.994
  261   2HB   LEU  61          2HB       LEU  61  -0.787   2.353   8.955
  262    HG   LEU  61           HG       LEU  61  -1.357   4.720   8.535
  263   1HD1  LEU  61          1HD1      LEU  61  -3.417   3.463   6.772
  264   2HD1  LEU  61          2HD1      LEU  61  -3.948   4.849   7.739
  265   3HD1  LEU  61          3HD1      LEU  61  -2.580   5.019   6.630
  266   1HD2  LEU  61          1HD2      LEU  61  -2.097   3.577  10.547
  267   2HD2  LEU  61          2HD2      LEU  61  -3.286   4.777  10.019
  268   3HD2  LEU  61          3HD2      LEU  61  -3.585   3.046   9.726
  269    H    ASP  62           H        ASP  62   1.333   2.601   8.564
  270    HA   ASP  62           HA       ASP  62   1.943   5.358   8.639
  271   1HB   ASP  62          1HB       ASP  62   2.613   3.773  10.417
  272   2HB   ASP  62          2HB       ASP  62   3.787   3.026   9.315
  273    H    ILE  63           H        ILE  63   3.378   2.673   6.780
  274    HA   ILE  63           HA       ILE  63   5.479   4.243   5.595
  275    HB   ILE  63           HB       ILE  63   4.182   1.573   5.080
  276   1HG1  ILE  63          1HG1      ILE  63   7.123   2.327   5.178
  277   2HG1  ILE  63          2HG1      ILE  63   6.158   2.155   6.653
  278   1HG2  ILE  63          1HG2      ILE  63   5.674   1.240   3.081
  279   2HG2  ILE  63          2HG2      ILE  63   4.242   2.222   2.823
  280   3HG2  ILE  63          3HG2      ILE  63   5.850   2.993   2.984
  281   1HD1  ILE  63          1HD1      ILE  63   7.358   0.085   6.176
  282   2HD1  ILE  63          2HD1      ILE  63   5.603  -0.164   6.095
  283   3HD1  ILE  63          3HD1      ILE  63   6.564  -0.060   4.603
  284    H    ILE  64           H        ILE  64   2.141   3.562   4.464
  285    HA   ILE  64           HA       ILE  64   2.393   4.972   1.982
  286    HB   ILE  64           HB       ILE  64   0.011   4.411   3.773
  287   1HG1  ILE  64          1HG1      ILE  64   0.781   3.136   1.121
  288   2HG1  ILE  64          2HG1      ILE  64   1.416   2.517   2.641
  289   1HG2  ILE  64          1HG2      ILE  64  -1.357   4.878   1.714
  290   2HG2  ILE  64          2HG2      ILE  64  -0.600   6.317   2.387
  291   3HG2  ILE  64          3HG2      ILE  64   0.098   5.548   0.947
  292   1HD1  ILE  64          1HD1      ILE  64  -0.509   1.229   2.155
  293   2HD1  ILE  64          2HD1      ILE  64  -0.942   2.283   3.506
  294   3HD1  ILE  64          3HD1      ILE  64  -1.506   2.666   1.862
  295    H    LEU  65           H        LEU  65   1.271   6.046   5.208
  296    HA   LEU  65           HA       LEU  65   0.741   8.742   4.400
  297   1HB   LEU  65          1HB       LEU  65   1.343   7.490   7.090
  298   2HB   LEU  65          2HB       LEU  65   0.807   9.161   6.877
  299    HG   LEU  65           HG       LEU  65  -0.903   6.777   5.968
  300   1HD1  LEU  65          1HD1      LEU  65  -1.045   8.441   8.535
  301   2HD1  LEU  65          2HD1      LEU  65  -2.133   7.119   8.068
  302   3HD1  LEU  65          3HD1      LEU  65  -0.434   6.782   8.460
  303   1HD2  LEU  65          1HD2      LEU  65  -1.509   9.707   6.447
  304   2HD2  LEU  65          2HD2      LEU  65  -1.450   8.867   4.871
  305   3HD2  LEU  65          3HD2      LEU  65  -2.694   8.442   6.062
  306    H    ASN  66           H        ASN  66   3.664   7.163   5.593
  307    HA   ASN  66           HA       ASN  66   5.100   9.689   6.075
  308   1HB   ASN  66          1HB       ASN  66   5.720   6.748   6.592
  309   2HB   ASN  66          2HB       ASN  66   6.934   7.974   6.740
  310   1HD2  ASN  66          1HD2      ASN  66   3.700   7.169   7.874
  311   2HD2  ASN  66          2HD2      ASN  66   4.051   7.459   9.541
  312    H    GLY  67           H        GLY  67   5.701   6.674   4.212
  313   1HA   GLY  67          1HA       GLY  67   6.716   6.745   1.990
  314   2HA   GLY  67          2HA       GLY  67   7.724   8.096   2.517
  315    H    GLN  68           H        GLN  68   7.501   4.681   2.307
  316    HA   GLN  68           HA       GLN  68   9.680   3.925   4.029
  317   1HB   GLN  68          1HB       GLN  68   8.321   2.121   2.837
  318   2HB   GLN  68          2HB       GLN  68   8.705   2.909   1.322
  319   1HG   GLN  68          1HG       GLN  68   9.823   0.855   1.780
  320   2HG   GLN  68          2HG       GLN  68  10.973   2.155   1.405
  321   1HE2  GLN  68          1HE2      GLN  68  10.829  -0.632   2.959
  322   2HE2  GLN  68          2HE2      GLN  68  11.775  -0.230   4.382
  323    H    GLY  69           H        GLY  69  11.986   3.775   3.327
  324   1HA   GLY  69          1HA       GLY  69  13.256   5.999   2.689
  325   2HA   GLY  69          2HA       GLY  69  13.904   4.439   2.172
  326    H    GLY  70           H        GLY  70  12.736   3.674  -0.045
  327   1HA   GLY  70          1HA       GLY  70  13.402   5.776  -2.005
  328   2HA   GLY  70          2HA       GLY  70  13.130   4.063  -2.310
  329    H    MET  71           H        MET  71  10.689   5.619  -0.400
  330    HA   MET  71           HA       MET  71   8.801   5.641  -2.708
  331   1HB   MET  71          1HB       MET  71   8.612   3.791  -1.065
  332   2HB   MET  71          2HB       MET  71   8.423   4.964   0.227
  333   1HG   MET  71          1HG       MET  71   6.352   5.695  -0.477
  334   2HG   MET  71          2HG       MET  71   6.434   4.856  -2.025
  335   1HE   MET  71          1HE       MET  71   3.902   4.494  -0.602
  336   2HE   MET  71          2HE       MET  71   3.766   3.303   0.712
  337   3HE   MET  71          3HE       MET  71   4.571   4.860   1.005
  338    HA   PRO  72           HA       PRO  72   8.660   9.922  -1.613
  339   1HB   PRO  72          1HB       PRO  72   6.317  10.798  -2.770
  340   2HB   PRO  72          2HB       PRO  72   7.777  10.343  -3.697
  341   1HG   PRO  72          1HG       PRO  72   5.380   8.602  -3.080
  342   2HG   PRO  72          2HG       PRO  72   6.147   8.878  -4.672
  343   1HD   PRO  72          1HD       PRO  72   6.762   6.690  -3.237
  344   2HD   PRO  72          2HD       PRO  72   8.082   7.610  -4.024
  345    H    GLY  73           H        GLY  73   5.727   8.057  -0.912
  346   1HA   GLY  73          1HA       GLY  73   4.563   7.919   1.091
  347   2HA   GLY  73          2HA       GLY  73   5.591   9.188   1.780
  348    H    GLY  74           H        GLY  74   2.865   9.107   2.180
  349   1HA   GLY  74          1HA       GLY  74   1.031  10.490   2.207
  350   2HA   GLY  74          2HA       GLY  74   2.017  11.769   1.470
  351    H    ILE  75           H        ILE  75   1.780   8.648  -0.094
  352    HA   ILE  75           HA       ILE  75   0.751   9.763  -2.529
  353    HB   ILE  75           HB       ILE  75   1.307   6.976  -1.472
  354   1HG1  ILE  75          1HG1      ILE  75   3.140   8.531  -2.235
  355   2HG1  ILE  75          2HG1      ILE  75   3.082   6.947  -3.024
  356   1HG2  ILE  75          1HG2      ILE  75  -0.605   6.576  -2.880
  357   2HG2  ILE  75          2HG2      ILE  75   0.087   7.580  -4.174
  358   3HG2  ILE  75          3HG2      ILE  75   0.856   6.050  -3.728
  359   1HD1  ILE  75          1HD1      ILE  75   2.108   7.930  -5.052
  360   2HD1  ILE  75          2HD1      ILE  75   2.034   9.527  -4.283
  361   3HD1  ILE  75          3HD1      ILE  75   3.591   8.772  -4.621
  362    H    ALA  76           H        ALA  76  -0.724   8.329   0.312
  363    HA   ALA  76           HA       ALA  76  -3.340   9.083  -0.690
  364   1HB   ALA  76          1HB       ALA  76  -3.413   6.695  -1.137
  365   2HB   ALA  76          2HB       ALA  76  -2.555   6.321   0.372
  366   3HB   ALA  76          3HB       ALA  76  -4.215   6.901   0.437
  367    H    LYS  77           H        LYS  77  -4.766   9.574   1.194
  368    HA   LYS  77           HA       LYS  77  -3.419   9.404   3.827
  369   1HB   LYS  77          1HB       LYS  77  -2.916  11.661   2.533
  370   2HB   LYS  77          2HB       LYS  77  -4.525  12.121   3.116
  371   1HG   LYS  77          1HG       LYS  77  -3.729  11.585   5.468
  372   2HG   LYS  77          2HG       LYS  77  -2.171  11.124   4.767
  373   1HD   LYS  77          1HD       LYS  77  -2.468  13.708   3.797
  374   2HD   LYS  77          2HD       LYS  77  -3.338  13.797   5.327
  375   1HE   LYS  77          1HE       LYS  77  -1.115  14.369   5.918
  376   2HE   LYS  77          2HE       LYS  77  -1.278  12.687   6.428
  377   1HZ   LYS  77          1HZ       LYS  77   0.770  12.976   5.276
  378   2HZ   LYS  77          2HZ       LYS  77  -0.194  12.086   4.293
  379   3HZ   LYS  77          3HZ       LYS  77   0.044  13.682   3.984
  380    H    GLY  78           H        GLY  78  -4.659   9.661   5.690
  381   1HA   GLY  78          1HA       GLY  78  -6.502   9.348   6.992
  382   2HA   GLY  78          2HA       GLY  78  -7.415  10.276   5.786
  383    H    ALA  79           H        ALA  79  -9.218   9.004   5.636
  384    HA   ALA  79           HA       ALA  79  -9.660   6.356   5.714
  385   1HB   ALA  79          1HB       ALA  79 -11.426   8.017   5.391
  386   2HB   ALA  79          2HB       ALA  79 -10.910   8.270   3.706
  387   3HB   ALA  79          3HB       ALA  79 -11.576   6.702   4.211
  388    H    GLU  80           H        GLU  80  -8.160   8.033   2.969
  389    HA   GLU  80           HA       GLU  80  -8.277   5.941   1.034
  390   1HB   GLU  80          1HB       GLU  80  -7.685   8.503   0.910
  391   2HB   GLU  80          2HB       GLU  80  -6.078   7.966   1.377
  392   1HG   GLU  80          1HG       GLU  80  -6.095   6.520  -0.733
  393   2HG   GLU  80          2HG       GLU  80  -7.621   7.303  -1.153
  394    H    ALA  81           H        ALA  81  -5.619   6.902   3.356
  395    HA   ALA  81           HA       ALA  81  -3.946   4.680   2.582
  396   1HB   ALA  81          1HB       ALA  81  -3.810   6.536   4.987
  397   2HB   ALA  81          2HB       ALA  81  -2.519   5.462   4.389
  398   3HB   ALA  81          3HB       ALA  81  -3.052   6.833   3.406
  399    H    GLU  82           H        GLU  82  -6.230   5.392   5.245
  400    HA   GLU  82           HA       GLU  82  -5.741   3.077   6.839
  401   1HB   GLU  82          1HB       GLU  82  -8.262   4.721   6.405
  402   2HB   GLU  82          2HB       GLU  82  -8.047   3.542   7.699
  403   1HG   GLU  82          1HG       GLU  82  -6.301   4.830   8.727
  404   2HG   GLU  82          2HG       GLU  82  -6.177   5.935   7.355
  405    H    ALA  83           H        ALA  83  -8.093   3.670   4.188
  406    HA   ALA  83           HA       ALA  83  -9.249   1.104   4.081
  407   1HB   ALA  83          1HB       ALA  83 -10.177   3.004   2.862
  408   2HB   ALA  83          2HB       ALA  83  -8.741   3.083   1.813
  409   3HB   ALA  83          3HB       ALA  83  -9.828   1.691   1.750
  410    H    VAL  84           H        VAL  84  -6.335   2.410   2.318
  411    HA   VAL  84           HA       VAL  84  -5.664  -0.035   1.096
  412    HB   VAL  84           HB       VAL  84  -3.606   1.893   2.262
  413   1HG1  VAL  84          1HG1      VAL  84  -3.531  -0.638   0.627
  414   2HG1  VAL  84          2HG1      VAL  84  -2.363   0.612   0.268
  415   3HG1  VAL  84          3HG1      VAL  84  -2.437  -0.078   1.891
  416   1HG2  VAL  84          1HG2      VAL  84  -4.699   3.216   0.676
  417   2HG2  VAL  84          2HG2      VAL  84  -3.344   2.516  -0.203
  418   3HG2  VAL  84          3HG2      VAL  84  -4.992   1.858  -0.418
  419    H    ALA  85           H        ALA  85  -4.523   1.161   4.305
  420    HA   ALA  85           HA       ALA  85  -2.852  -0.895   5.011
  421   1HB   ALA  85          1HB       ALA  85  -3.300   1.203   6.245
  422   2HB   ALA  85          2HB       ALA  85  -4.806   0.519   6.889
  423   3HB   ALA  85          3HB       ALA  85  -3.258  -0.222   7.301
  424    H    ALA  86           H        ALA  86  -6.359  -0.775   5.773
  425    HA   ALA  86           HA       ALA  86  -6.543  -3.378   6.915
  426   1HB   ALA  86          1HB       ALA  86  -8.662  -1.757   5.430
  427   2HB   ALA  86          2HB       ALA  86  -8.963  -3.146   6.498
  428   3HB   ALA  86          3HB       ALA  86  -8.279  -1.647   7.161
  429    H    TRP  87           H        TRP  87  -7.291  -2.285   3.556
  430    HA   TRP  87           HA       TRP  87  -8.090  -4.831   2.589
  431   1HB   TRP  87          1HB       TRP  87  -8.688  -2.788   1.515
  432   2HB   TRP  87          2HB       TRP  87  -6.976  -2.361   1.306
  433    HD1  TRP  87           HD       TRP  87  -9.644  -4.583  -0.361
  434    HE1  TRP  87           1HE      TRP  87  -8.694  -5.494  -2.544
  435    HE3  TRP  87           3HE      TRP  87  -5.015  -2.423  -0.177
  436    HZ2  TRP  87           2HZ      TRP  87  -5.171  -5.240  -2.901
  437    HZ3  TRP  87           3HZ      TRP  87  -3.664  -2.445  -2.266
  438    HH2  TRP  87           HH       TRP  87  -4.549  -3.434  -4.337
  439    H    LEU  88           H        LEU  88  -4.882  -3.290   2.658
  440    HA   LEU  88           HA       LEU  88  -3.587  -5.297   1.102
  441   1HB   LEU  88          1HB       LEU  88  -2.887  -2.759   1.893
  442   2HB   LEU  88          2HB       LEU  88  -1.865  -3.740   2.908
  443    HG   LEU  88           HG       LEU  88  -1.025  -2.970   0.664
  444   1HD1  LEU  88          1HD1      LEU  88  -0.281  -5.201   1.968
  445   2HD1  LEU  88          2HD1      LEU  88  -0.898  -5.955   0.477
  446   3HD1  LEU  88          3HD1      LEU  88   0.356  -4.684   0.396
  447   1HD2  LEU  88          1HD2      LEU  88  -2.759  -2.987  -0.546
  448   2HD2  LEU  88          2HD2      LEU  88  -1.442  -3.830  -1.374
  449   3HD2  LEU  88          3HD2      LEU  88  -2.833  -4.766  -0.783
  450    H    ALA  89           H        ALA  89  -3.840  -4.657   4.608
  451    HA   ALA  89           HA       ALA  89  -2.413  -6.899   5.593
  452   1HB   ALA  89          1HB       ALA  89  -3.149  -5.135   7.030
  453   2HB   ALA  89          2HB       ALA  89  -4.859  -5.527   6.736
  454   3HB   ALA  89          3HB       ALA  89  -3.815  -6.679   7.589
  455    H    GLU  90           H        GLU  90  -5.747  -6.598   4.408
  456    HA   GLU  90           HA       GLU  90  -6.487  -9.330   4.895
  457   1HB   GLU  90          1HB       GLU  90  -7.973  -7.389   4.880
  458   2HB   GLU  90          2HB       GLU  90  -7.686  -7.135   3.173
  459   1HG   GLU  90          1HG       GLU  90  -8.622  -9.881   3.642
  460   2HG   GLU  90          2HG       GLU  90  -9.719  -8.688   4.340
  461    H    LYS  91           H        LYS  91  -4.476  -7.963   2.397
  462    HA   LYS  91           HA       LYS  91  -5.566  -9.516   0.206
  463   1HB   LYS  91          1HB       LYS  91  -4.299  -7.135   0.558
  464   2HB   LYS  91          2HB       LYS  91  -2.946  -8.051  -0.033
  465   1HG   LYS  91          1HG       LYS  91  -5.721  -7.750  -1.331
  466   2HG   LYS  91          2HG       LYS  91  -4.337  -6.700  -1.630
  467   1HD   LYS  91          1HD       LYS  91  -4.427  -9.670  -2.310
  468   2HD   LYS  91          2HD       LYS  91  -4.626  -8.313  -3.432
  469   1HE   LYS  91          1HE       LYS  91  -2.319  -7.487  -2.459
  470   2HE   LYS  91          2HE       LYS  91  -2.122  -9.140  -1.879
  471   1HZ   LYS  91          1HZ       LYS  91  -2.268  -9.888  -4.153
  472   2HZ   LYS  91          2HZ       LYS  91  -2.646  -8.383  -4.710
  473   3HZ   LYS  91          3HZ       LYS  91  -1.160  -8.676  -4.109
  474    H    LYS  92           H        LYS  92  -3.800 -10.572   2.604
  475    HA   LYS  92           HA       LYS  92  -1.215 -10.930   1.552
  476   1HB   LYS  92          1HB       LYS  92  -0.744 -11.654   3.805
  477   2HB   LYS  92          2HB       LYS  92  -1.680 -10.156   3.651
  478   1HG   LYS  92          1HG       LYS  92  -3.736 -11.315   4.366
  479   2HG   LYS  92          2HG       LYS  92  -2.912 -12.884   4.308
  480   1HD   LYS  92          1HD       LYS  92  -1.506 -12.279   6.174
  481   2HD   LYS  92          2HD       LYS  92  -2.028 -10.582   6.084
  482   1HE   LYS  92          1HE       LYS  92  -4.269 -11.103   6.782
  483   2HE   LYS  92          2HE       LYS  92  -3.950 -12.847   6.739
  484   1HZ   LYS  92          1HZ       LYS  92  -2.576 -10.928   8.509
  485   2HZ   LYS  92          2HZ       LYS  92  -3.846 -11.871   8.963
  486   3HZ   LYS  92          3HZ       LYS  92  -2.418 -12.567   8.535
  487    HHA  HEC  93           HHA      HEC  93   8.746  -0.367   0.387
  488    HHB  HEC  93           HHB      HEC  93   2.351  -0.201   0.807
  489    HHC  HEC  93           HHC      HEC  93   2.365   4.215  -3.922
  490    HHD  HEC  93           HHD      HEC  93   8.636   3.268  -4.784
  491   1HMA  HEC  93          1HMA      HEC  93   3.187  -1.145   2.712
  492   2HMA  HEC  93          2HMA      HEC  93   4.059  -2.620   2.235
  493   3HMA  HEC  93          3HMA      HEC  93   4.681  -1.579   3.533
  494   1HAA  HEC  93          1HAA      HEC  93   6.939  -2.019   3.140
  495   2HAA  HEC  93          2HAA      HEC  93   8.092  -0.823   2.636
  496   1HBA  HEC  93          1HBA      HEC  93   7.940  -2.347   0.409
  497   2HBA  HEC  93          2HBA      HEC  93   7.529  -3.588   1.592
  498   1HMB  HEC  93          1HMB      HEC  93   0.347   0.103   0.290
  499   2HMB  HEC  93          2HMB      HEC  93  -0.557   1.525  -0.186
  500   3HMB  HEC  93          3HMB      HEC  93  -0.361   0.163  -1.313
  501    HAB  HEC  93           HAB      HEC  93   0.384   3.800  -3.459
  502   1HBB  HEC  93          1HBB      HEC  93  -0.177   4.739  -1.265
  503   2HBB  HEC  93          2HBB      HEC  93  -1.591   4.404  -2.285
  504   3HBB  HEC  93          3HBB      HEC  93  -1.217   3.353  -0.929
  505   1HMC  HEC  93          1HMC      HEC  93   3.281   4.535  -6.531
  506   2HMC  HEC  93          2HMC      HEC  93   3.149   5.848  -5.347
  507   3HMC  HEC  93          3HMC      HEC  93   4.372   5.930  -6.618
  508    HAC  HEC  93           HAC      HEC  93   7.955   4.319  -6.446
  509   1HBC  HEC  93          1HBC      HEC  93   7.469   6.597  -7.501
  510   2HBC  HEC  93          2HBC      HEC  93   6.364   6.852  -6.131
  511   3HBC  HEC  93          3HBC      HEC  93   8.090   6.509  -5.859
  512   1HMD  HEC  93          1HMD      HEC  93  11.360   2.514  -3.837
  513   2HMD  HEC  93          2HMD      HEC  93  11.263   0.746  -4.021
  514   3HMD  HEC  93          3HMD      HEC  93  10.215   1.769  -4.987
  515   1HAD  HEC  93          1HAD      HEC  93  10.966  -0.764  -1.242
  516   2HAD  HEC  93          2HAD      HEC  93  10.708   0.305   0.026
  517   1HBD  HEC  93          1HBD      HEC  93  12.771   0.932  -0.186
  518   2HBD  HEC  93          2HBD      HEC  93  11.982   2.133  -1.169
  Start of MODEL   24
    1   1H    VAL  22          1H        VAL  22 -14.175   3.817   0.782
    2   2H    VAL  22          2H        VAL  22 -12.839   3.917   1.746
    3   3H    VAL  22          3H        VAL  22 -13.826   5.264   1.546
    4    HA   VAL  22           HA       VAL  22 -13.355   5.123  -0.819
    5    HB   VAL  22           HB       VAL  22 -10.755   5.319   0.767
    6   1HG1  VAL  22          1HG1      VAL  22 -10.151   6.873  -1.084
    7   2HG1  VAL  22          2HG1      VAL  22 -10.532   5.264  -1.711
    8   3HG1  VAL  22          3HG1      VAL  22 -11.720   6.571  -1.853
    9   1HG2  VAL  22          1HG2      VAL  22 -12.363   6.813   1.856
   10   2HG2  VAL  22          2HG2      VAL  22 -11.255   7.770   0.869
   11   3HG2  VAL  22          3HG2      VAL  22 -12.895   7.442   0.277
   12    H    ASP  23           H        ASP  23 -13.116   3.592  -2.185
   13    HA   ASP  23           HA       ASP  23 -12.753   0.993  -1.615
   14   1HB   ASP  23          1HB       ASP  23 -12.501   2.352  -4.327
   15   2HB   ASP  23          2HB       ASP  23 -12.936   0.659  -4.047
   16    H    ALA  24           H        ALA  24 -10.913   0.404  -0.654
   17    HA   ALA  24           HA       ALA  24  -8.443   1.397  -0.819
   18   1HB   ALA  24          1HB       ALA  24  -9.201  -0.272   0.851
   19   2HB   ALA  24          2HB       ALA  24  -9.108  -1.534  -0.389
   20   3HB   ALA  24          3HB       ALA  24  -7.631  -0.678   0.125
   21    H    GLU  25           H        GLU  25  -9.527  -1.456  -2.732
   22    HA   GLU  25           HA       GLU  25  -7.025  -1.754  -4.037
   23   1HB   GLU  25          1HB       GLU  25  -7.910  -3.446  -5.216
   24   2HB   GLU  25          2HB       GLU  25  -9.093  -3.391  -3.909
   25   1HG   GLU  25          1HG       GLU  25 -10.567  -2.007  -5.421
   26   2HG   GLU  25          2HG       GLU  25  -9.359  -2.233  -6.729
   27    H    ALA  26           H        ALA  26  -9.869   0.343  -4.770
   28    HA   ALA  26           HA       ALA  26  -9.059   0.945  -7.451
   29   1HB   ALA  26          1HB       ALA  26 -10.666   2.747  -5.603
   30   2HB   ALA  26          2HB       ALA  26 -10.654   2.733  -7.369
   31   3HB   ALA  26          3HB       ALA  26 -11.358   1.362  -6.487
   32    H    VAL  27           H        VAL  27  -8.437   2.520  -4.316
   33    HA   VAL  27           HA       VAL  27  -6.595   4.646  -5.193
   34    HB   VAL  27           HB       VAL  27  -6.545   2.907  -2.666
   35   1HG1  VAL  27          1HG1      VAL  27  -4.442   4.227  -3.109
   36   2HG1  VAL  27          2HG1      VAL  27  -5.443   5.703  -3.018
   37   3HG1  VAL  27          3HG1      VAL  27  -5.291   4.639  -1.618
   38   1HG2  VAL  27          1HG2      VAL  27  -7.928   5.577  -3.121
   39   2HG2  VAL  27          2HG2      VAL  27  -8.730   4.022  -2.825
   40   3HG2  VAL  27          3HG2      VAL  27  -7.743   4.754  -1.558
   41    H    VAL  28           H        VAL  28  -5.821   1.266  -4.075
   42    HA   VAL  28           HA       VAL  28  -3.151   1.774  -4.708
   43    HB   VAL  28           HB       VAL  28  -4.751  -0.753  -4.248
   44   1HG1  VAL  28          1HG1      VAL  28  -1.946  -0.461  -5.118
   45   2HG1  VAL  28          2HG1      VAL  28  -2.176  -1.509  -3.726
   46   3HG1  VAL  28          3HG1      VAL  28  -3.042  -1.828  -5.253
   47   1HG2  VAL  28          1HG2      VAL  28  -2.753   0.038  -2.252
   48   2HG2  VAL  28          2HG2      VAL  28  -3.833   1.375  -2.588
   49   3HG2  VAL  28          3HG2      VAL  28  -4.515  -0.162  -2.093
   50    H    GLN  29           H        GLN  29  -5.518   0.131  -6.631
   51    HA   GLN  29           HA       GLN  29  -4.062  -0.563  -8.936
   52   1HB   GLN  29          1HB       GLN  29  -7.003  -0.018  -8.408
   53   2HB   GLN  29          2HB       GLN  29  -6.451  -0.611  -9.938
   54   1HG   GLN  29          1HG       GLN  29  -6.033  -2.087  -7.314
   55   2HG   GLN  29          2HG       GLN  29  -7.253  -2.431  -8.538
   56   1HE2  GLN  29          1HE2      GLN  29  -4.085  -3.158  -7.488
   57   2HE2  GLN  29          2HE2      GLN  29  -3.515  -3.971  -8.930
   58    H    GLN  30           H        GLN  30  -4.786   2.619  -7.830
   59    HA   GLN  30           HA       GLN  30  -3.886   3.617 -10.478
   60   1HB   GLN  30          1HB       GLN  30  -6.459   4.037  -9.286
   61   2HB   GLN  30          2HB       GLN  30  -5.595   5.553  -9.100
   62   1HG   GLN  30          1HG       GLN  30  -5.142   5.644 -11.512
   63   2HG   GLN  30          2HG       GLN  30  -5.695   3.974 -11.725
   64   1HE2  GLN  30          1HE2      GLN  30  -7.016   7.092 -10.425
   65   2HE2  GLN  30          2HE2      GLN  30  -8.591   6.849 -11.168
   66    H    LYS  31           H        LYS  31  -2.905   3.199  -7.423
   67    HA   LYS  31           HA       LYS  31  -1.457   5.827  -7.280
   68   1HB   LYS  31          1HB       LYS  31  -2.874   4.220  -5.122
   69   2HB   LYS  31          2HB       LYS  31  -1.812   5.501  -4.739
   70   1HG   LYS  31          1HG       LYS  31  -4.128   6.079  -6.591
   71   2HG   LYS  31          2HG       LYS  31  -4.272   6.077  -4.837
   72   1HD   LYS  31          1HD       LYS  31  -2.382   7.666  -4.651
   73   2HD   LYS  31          2HD       LYS  31  -2.337   7.819  -6.419
   74   1HE   LYS  31          1HE       LYS  31  -4.501   8.877  -6.431
   75   2HE   LYS  31          2HE       LYS  31  -4.856   8.358  -4.774
   76   1HZ   LYS  31          1HZ       LYS  31  -3.107   9.782  -3.962
   77   2HZ   LYS  31          2HZ       LYS  31  -2.818  10.336  -5.491
   78   3HZ   LYS  31          3HZ       LYS  31  -4.271  10.621  -4.768
   79    H    CYS  32           H        CYS  32  -1.441   2.446  -5.985
   80    HA   CYS  32           HA       CYS  32   1.423   2.798  -5.381
   81   1HB   CYS  32          1HB       CYS  32  -0.049   0.256  -4.857
   82   2HB   CYS  32          2HB       CYS  32   1.244   0.969  -3.957
   83    H    ILE  33           H        ILE  33  -0.710   0.830  -7.427
   84    HA   ILE  33           HA       ILE  33   1.200  -0.906  -8.486
   85    HB   ILE  33           HB       ILE  33  -0.230  -1.150 -10.416
   86   1HG1  ILE  33          1HG1      ILE  33  -2.474   0.042 -10.371
   87   2HG1  ILE  33          2HG1      ILE  33  -1.676   1.350  -9.484
   88   1HG2  ILE  33          1HG2      ILE  33  -2.194  -1.953  -9.269
   89   2HG2  ILE  33          2HG2      ILE  33  -0.774  -2.253  -8.271
   90   3HG2  ILE  33          3HG2      ILE  33  -1.867  -0.934  -7.861
   91   1HD1  ILE  33          1HD1      ILE  33  -1.936   1.632 -11.974
   92   2HD1  ILE  33          2HD1      ILE  33  -0.249   1.735 -11.489
   93   3HD1  ILE  33          3HD1      ILE  33  -0.868   0.242 -12.226
   94    H    SER  34           H        SER  34   0.794   2.477  -9.082
   95    HA   SER  34           HA       SER  34   2.049   2.940 -11.488
   96   1HB   SER  34          1HB       SER  34   0.977   4.583  -9.863
   97   2HB   SER  34          2HB       SER  34   2.514   4.600  -8.983
   98    HG   SER  34           HG       SER  34   2.293   6.268 -10.587
   99    H    CYS  35           H        CYS  35   3.603   2.025  -8.387
  100    HA   CYS  35           HA       CYS  35   6.190   1.732  -9.888
  101   1HB   CYS  35          1HB       CYS  35   6.084   2.136  -6.897
  102   2HB   CYS  35          2HB       CYS  35   7.443   2.231  -7.986
  103    H    HIS  36           H        HIS  36   3.971   0.308  -7.442
  104    HA   HIS  36           HA       HIS  36   5.635  -2.040  -7.139
  105   1HB   HIS  36          1HB       HIS  36   2.837  -1.353  -6.208
  106   2HB   HIS  36          2HB       HIS  36   3.672  -2.861  -5.831
  107    HD1  HIS  36           1HD      HIS  36   5.875  -2.721  -4.227
  108    HD2  HIS  36           2HD      HIS  36   3.623   0.830  -4.756
  109    HE1  HIS  36           1HE      HIS  36   6.548  -1.121  -2.383
  110    H    GLY  37           H        GLY  37   3.397  -1.186  -9.630
  111   1HA   GLY  37          1HA       GLY  37   3.045  -2.407 -11.556
  112   2HA   GLY  37          2HA       GLY  37   3.590  -3.904 -10.781
  113    H    GLY  38           H        GLY  38   1.147  -3.526 -12.334
  114   1HA   GLY  38          1HA       GLY  38  -1.260  -3.006 -11.182
  115   2HA   GLY  38          2HA       GLY  38  -0.989  -4.345 -12.290
  116    H    ASP  39           H        ASP  39   0.225  -6.259 -11.123
  117    HA   ASP  39           HA       ASP  39  -1.569  -7.364  -9.242
  118   1HB   ASP  39          1HB       ASP  39   1.167  -8.405 -10.034
  119   2HB   ASP  39          2HB       ASP  39  -0.253  -9.346  -9.557
  120    H    LEU  40           H        LEU  40   1.000  -5.239  -8.650
  121    HA   LEU  40           HA       LEU  40   2.150  -4.561  -6.813
  122   1HB   LEU  40          1HB       LEU  40   0.210  -6.292  -5.265
  123   2HB   LEU  40          2HB       LEU  40   1.194  -4.983  -4.638
  124    HG   LEU  40           HG       LEU  40  -0.454  -4.189  -7.015
  125   1HD1  LEU  40          1HD1      LEU  40  -1.796  -5.081  -4.461
  126   2HD1  LEU  40          2HD1      LEU  40  -2.551  -4.074  -5.727
  127   3HD1  LEU  40          3HD1      LEU  40  -2.042  -5.728  -6.096
  128   1HD2  LEU  40          1HD2      LEU  40  -0.665  -2.193  -5.912
  129   2HD2  LEU  40          2HD2      LEU  40  -0.458  -2.937  -4.315
  130   3HD2  LEU  40          3HD2      LEU  40   0.939  -2.731  -5.414
  131    H    THR  41           H        THR  41   2.817  -7.077  -8.320
  132    HA   THR  41           HA       THR  41   4.271  -8.815  -6.548
  133    HB   THR  41           HB       THR  41   4.989  -9.597  -8.948
  134    HG1  THR  41           1HG      THR  41   3.489  -8.732 -10.525
  135   1HG2  THR  41          1HG2      THR  41   3.256 -10.765  -7.649
  136   2HG2  THR  41          2HG2      THR  41   2.045  -9.558  -8.110
  137   3HG2  THR  41          3HG2      THR  41   2.743 -10.629  -9.341
  138    H    GLY  42           H        GLY  42   4.899  -5.652  -7.803
  139   1HA   GLY  42          1HA       GLY  42   6.681  -4.481  -6.961
  140   2HA   GLY  42          2HA       GLY  42   7.638  -5.956  -6.758
  141    H    ALA  43           H        ALA  43   6.471  -3.580  -9.115
  142    HA   ALA  43           HA       ALA  43   8.217  -4.599 -11.253
  143   1HB   ALA  43          1HB       ALA  43   6.065  -3.701 -11.864
  144   2HB   ALA  43          2HB       ALA  43   6.424  -2.143 -11.106
  145   3HB   ALA  43          3HB       ALA  43   7.347  -2.668 -12.527
  146    H    SER  44           H        SER  44   7.959  -1.331  -9.807
  147    HA   SER  44           HA       SER  44  10.888  -0.905 -10.163
  148   1HB   SER  44          1HB       SER  44   9.039   0.626 -11.174
  149   2HB   SER  44          2HB       SER  44   8.810   1.192  -9.508
  150    HG   SER  44           HG       SER  44  10.325   2.506 -10.479
  151    H    ALA  45           H        ALA  45   8.970  -2.152  -7.834
  152    HA   ALA  45           HA       ALA  45  10.417  -1.053  -5.524
  153   1HB   ALA  45          1HB       ALA  45   8.216  -0.630  -4.398
  154   2HB   ALA  45          2HB       ALA  45   8.371   0.382  -5.844
  155   3HB   ALA  45          3HB       ALA  45   7.379  -1.075  -5.896
  156    HA   PRO  46           HA       PRO  46   9.946  -5.387  -4.541
  157   1HB   PRO  46          1HB       PRO  46   9.392  -5.489  -1.830
  158   2HB   PRO  46          2HB       PRO  46  11.001  -5.117  -2.513
  159   1HG   PRO  46          1HG       PRO  46   8.877  -3.155  -1.622
  160   2HG   PRO  46          2HG       PRO  46  10.607  -3.169  -1.163
  161   1HD   PRO  46          1HD       PRO  46   9.725  -1.564  -3.141
  162   2HD   PRO  46          2HD       PRO  46  11.254  -2.450  -3.363
  163    H    ALA  47           H        ALA  47   8.403  -7.024  -3.944
  164    HA   ALA  47           HA       ALA  47   5.768  -6.505  -4.863
  165   1HB   ALA  47          1HB       ALA  47   5.343  -8.840  -4.249
  166   2HB   ALA  47          2HB       ALA  47   6.946  -8.730  -5.008
  167   3HB   ALA  47          3HB       ALA  47   6.813  -8.888  -3.256
  168    H    ILE  48           H        ILE  48   4.209  -5.451  -3.716
  169    HA   ILE  48           HA       ILE  48   4.228  -5.790  -0.748
  170    HB   ILE  48           HB       ILE  48   2.763  -3.848  -0.532
  171   1HG1  ILE  48          1HG1      ILE  48   3.347  -2.063  -2.441
  172   2HG1  ILE  48          2HG1      ILE  48   3.293  -3.485  -3.480
  173   1HG2  ILE  48          1HG2      ILE  48   5.069  -3.818   0.037
  174   2HG2  ILE  48          2HG2      ILE  48   5.479  -3.324  -1.647
  175   3HG2  ILE  48          3HG2      ILE  48   4.463  -2.280  -0.594
  176   1HD1  ILE  48          1HD1      ILE  48   0.931  -3.816  -2.599
  177   2HD1  ILE  48          2HD1      ILE  48   1.264  -2.502  -1.438
  178   3HD1  ILE  48          3HD1      ILE  48   1.166  -2.115  -3.146
  179    H    ASP  49           H        ASP  49   2.681  -6.978  -3.492
  180    HA   ASP  49           HA       ASP  49   0.059  -7.156  -2.744
  181   1HB   ASP  49          1HB       ASP  49  -0.098  -8.799  -4.292
  182   2HB   ASP  49          2HB       ASP  49   1.538  -8.340  -4.690
  183    H    LYS  50           H        LYS  50   2.738  -8.907  -1.316
  184    HA   LYS  50           HA       LYS  50   1.002 -10.258   0.700
  185   1HB   LYS  50          1HB       LYS  50   3.647 -10.814  -0.590
  186   2HB   LYS  50          2HB       LYS  50   3.287 -11.537   1.005
  187   1HG   LYS  50          1HG       LYS  50   1.469 -12.781   0.231
  188   2HG   LYS  50          2HG       LYS  50   1.190 -11.722  -1.144
  189   1HD   LYS  50          1HD       LYS  50   1.974 -13.896  -1.843
  190   2HD   LYS  50          2HD       LYS  50   3.006 -12.592  -2.403
  191   1HE   LYS  50          1HE       LYS  50   3.617 -14.339   0.047
  192   2HE   LYS  50          2HE       LYS  50   4.190 -14.688  -1.592
  193   1HZ   LYS  50          1HZ       LYS  50   5.260 -12.500  -1.576
  194   2HZ   LYS  50          2HZ       LYS  50   4.884 -12.333   0.013
  195   3HZ   LYS  50          3HZ       LYS  50   5.886 -13.543  -0.462
  196    H    ALA  51           H        ALA  51   2.421  -7.348   0.607
  197    HA   ALA  51           HA       ALA  51   4.129  -7.220   2.835
  198   1HB   ALA  51          1HB       ALA  51   3.615  -4.900   2.952
  199   2HB   ALA  51          2HB       ALA  51   3.601  -5.351   1.249
  200   3HB   ALA  51          3HB       ALA  51   2.076  -5.118   2.115
  201    H    GLY  52           H        GLY  52   0.515  -7.422   2.685
  202   1HA   GLY  52          1HA       GLY  52  -0.094  -6.951   5.356
  203   2HA   GLY  52          2HA       GLY  52  -0.932  -8.075   4.254
  204    H    ALA  53           H        ALA  53   1.457  -9.840   3.963
  205    HA   ALA  53           HA       ALA  53   1.110 -11.478   6.375
  206   1HB   ALA  53          1HB       ALA  53   2.662 -13.012   5.273
  207   2HB   ALA  53          2HB       ALA  53   1.375 -12.568   4.146
  208   3HB   ALA  53          3HB       ALA  53   2.981 -11.838   3.989
  209    H    ASN  54           H        ASN  54   3.628  -9.499   4.807
  210    HA   ASN  54           HA       ASN  54   5.699 -10.261   6.677
  211   1HB   ASN  54          1HB       ASN  54   5.507  -8.040   4.599
  212   2HB   ASN  54          2HB       ASN  54   6.953  -8.358   5.556
  213   1HD2  ASN  54          1HD2      ASN  54   8.014 -10.483   5.374
  214   2HD2  ASN  54          2HD2      ASN  54   7.859 -11.361   3.862
  215    H    TYR  55           H        TYR  55   3.451  -7.538   6.476
  216    HA   TYR  55           HA       TYR  55   4.460  -6.369   9.011
  217   1HB   TYR  55          1HB       TYR  55   3.670  -4.718   6.600
  218   2HB   TYR  55          2HB       TYR  55   4.493  -4.190   8.066
  219    HD1  TYR  55           1HD      TYR  55   5.059  -4.179   4.809
  220    HD2  TYR  55           2HD      TYR  55   6.822  -5.904   8.345
  221    HE1  TYR  55           1HE      TYR  55   7.256  -4.262   3.680
  222    HE2  TYR  55           2HE      TYR  55   9.006  -6.036   7.182
  223    HH   TYR  55           HH       TYR  55   9.522  -4.699   3.902
  224    H    SER  56           H        SER  56   2.750  -5.016  10.016
  225    HA   SER  56           HA       SER  56   0.067  -6.173   9.431
  226   1HB   SER  56          1HB       SER  56   1.125  -4.682  11.859
  227   2HB   SER  56          2HB       SER  56  -0.522  -5.298  11.675
  228    HG   SER  56           HG       SER  56   1.837  -6.872  11.436
  229    H    GLU  57           H        GLU  57  -1.825  -4.600   9.785
  230    HA   GLU  57           HA       GLU  57  -1.794  -2.840   7.630
  231   1HB   GLU  57          1HB       GLU  57  -3.984  -2.098   8.410
  232   2HB   GLU  57          2HB       GLU  57  -3.824  -3.835   8.421
  233   1HG   GLU  57          1HG       GLU  57  -4.650  -3.812  10.483
  234   2HG   GLU  57          2HG       GLU  57  -3.123  -3.147  11.066
  235    H    GLU  58           H        GLU  58  -1.362  -2.066  11.091
  236    HA   GLU  58           HA       GLU  58  -1.091   0.663  11.026
  237   1HB   GLU  58          1HB       GLU  58   0.358   0.328  13.038
  238   2HB   GLU  58          2HB       GLU  58  -1.140  -0.602  13.030
  239   1HG   GLU  58          1HG       GLU  58   0.630  -2.442  11.916
  240   2HG   GLU  58          2HG       GLU  58   1.663  -1.563  13.046
  241    H    GLU  59           H        GLU  59   1.627  -1.640  10.508
  242    HA   GLU  59           HA       GLU  59   3.696   0.197  10.024
  243   1HB   GLU  59          1HB       GLU  59   3.141  -2.568   8.875
  244   2HB   GLU  59          2HB       GLU  59   4.687  -1.746   8.715
  245   1HG   GLU  59          1HG       GLU  59   3.546  -2.186  11.496
  246   2HG   GLU  59          2HG       GLU  59   4.336  -3.508  10.626
  247    H    ILE  60           H        ILE  60   1.349  -1.295   7.817
  248    HA   ILE  60           HA       ILE  60   2.481  -0.234   5.378
  249    HB   ILE  60           HB       ILE  60  -0.205  -1.437   6.084
  250   1HG1  ILE  60          1HG1      ILE  60   1.893  -2.616   4.251
  251   2HG1  ILE  60          2HG1      ILE  60   2.093  -2.759   6.000
  252   1HG2  ILE  60          1HG2      ILE  60  -0.648   0.017   4.204
  253   2HG2  ILE  60          2HG2      ILE  60   0.796  -0.563   3.346
  254   3HG2  ILE  60          3HG2      ILE  60  -0.590  -1.641   3.611
  255   1HD1  ILE  60          1HD1      ILE  60   1.008  -4.740   5.071
  256   2HD1  ILE  60          2HD1      ILE  60  -0.036  -3.909   6.234
  257   3HD1  ILE  60          3HD1      ILE  60  -0.350  -3.756   4.498
  258    H    LEU  61           H        LEU  61  -0.276   0.713   7.444
  259    HA   LEU  61           HA       LEU  61  -1.206   2.943   6.062
  260   1HB   LEU  61          1HB       LEU  61  -2.236   1.872   8.044
  261   2HB   LEU  61          2HB       LEU  61  -0.986   2.495   9.084
  262    HG   LEU  61           HG       LEU  61  -1.668   4.771   8.796
  263   1HD1  LEU  61          1HD1      LEU  61  -3.756   5.295   7.436
  264   2HD1  LEU  61          2HD1      LEU  61  -2.308   4.912   6.495
  265   3HD1  LEU  61          3HD1      LEU  61  -3.574   3.683   6.707
  266   1HD2  LEU  61          1HD2      LEU  61  -2.900   3.362  10.433
  267   2HD2  LEU  61          2HD2      LEU  61  -3.928   4.646   9.769
  268   3HD2  LEU  61          3HD2      LEU  61  -4.107   2.977   9.189
  269    H    ASP  62           H        ASP  62   1.238   2.782   8.700
  270    HA   ASP  62           HA       ASP  62   1.838   5.581   8.553
  271   1HB   ASP  62          1HB       ASP  62   2.915   3.287  10.037
  272   2HB   ASP  62          2HB       ASP  62   4.196   4.361   9.471
  273    H    ILE  63           H        ILE  63   3.255   2.737   6.882
  274    HA   ILE  63           HA       ILE  63   5.373   4.262   5.667
  275    HB   ILE  63           HB       ILE  63   4.118   1.570   5.194
  276   1HG1  ILE  63          1HG1      ILE  63   7.020   2.487   5.439
  277   2HG1  ILE  63          2HG1      ILE  63   5.985   2.107   6.824
  278   1HG2  ILE  63          1HG2      ILE  63   5.871   2.929   3.122
  279   2HG2  ILE  63          2HG2      ILE  63   5.596   1.185   3.231
  280   3HG2  ILE  63          3HG2      ILE  63   4.236   2.243   2.910
  281   1HD1  ILE  63          1HD1      ILE  63   6.878   0.153   4.668
  282   2HD1  ILE  63          2HD1      ILE  63   7.349   0.193   6.368
  283   3HD1  ILE  63          3HD1      ILE  63   5.677  -0.212   5.932
  284    H    ILE  64           H        ILE  64   2.020   3.663   4.558
  285    HA   ILE  64           HA       ILE  64   2.299   4.985   2.028
  286    HB   ILE  64           HB       ILE  64  -0.076   4.681   3.907
  287   1HG1  ILE  64          1HG1      ILE  64   0.572   3.258   1.305
  288   2HG1  ILE  64          2HG1      ILE  64   1.053   2.614   2.869
  289   1HG2  ILE  64          1HG2      ILE  64   0.017   5.711   1.039
  290   2HG2  ILE  64          2HG2      ILE  64  -1.468   5.226   1.880
  291   3HG2  ILE  64          3HG2      ILE  64  -0.545   6.596   2.472
  292   1HD1  ILE  64          1HD1      ILE  64  -1.778   3.047   1.895
  293   2HD1  ILE  64          2HD1      ILE  64  -0.992   1.539   2.389
  294   3HD1  ILE  64          3HD1      ILE  64  -1.388   2.753   3.606
  295    H    LEU  65           H        LEU  65   1.266   6.200   5.241
  296    HA   LEU  65           HA       LEU  65   0.853   8.878   4.315
  297   1HB   LEU  65          1HB       LEU  65   1.369   7.768   7.076
  298   2HB   LEU  65          2HB       LEU  65   0.797   9.409   6.732
  299    HG   LEU  65           HG       LEU  65  -0.856   6.996   5.797
  300   1HD1  LEU  65          1HD1      LEU  65  -0.427   6.719   8.222
  301   2HD1  LEU  65          2HD1      LEU  65  -0.925   8.395   8.512
  302   3HD1  LEU  65          3HD1      LEU  65  -2.103   7.208   7.914
  303   1HD2  LEU  65          1HD2      LEU  65  -1.571   9.846   6.572
  304   2HD2  LEU  65          2HD2      LEU  65  -1.374   9.244   4.906
  305   3HD2  LEU  65          3HD2      LEU  65  -2.660   8.593   5.945
  306    H    ASN  66           H        ASN  66   3.682   7.245   5.651
  307    HA   ASN  66           HA       ASN  66   5.229   9.708   6.085
  308   1HB   ASN  66          1HB       ASN  66   5.745   6.747   6.595
  309   2HB   ASN  66          2HB       ASN  66   6.992   7.937   6.768
  310   1HD2  ASN  66          1HD2      ASN  66   3.721   7.171   7.889
  311   2HD2  ASN  66          2HD2      ASN  66   3.989   7.548   9.559
  312    H    GLY  67           H        GLY  67   5.554   6.702   4.137
  313   1HA   GLY  67          1HA       GLY  67   6.541   6.665   1.944
  314   2HA   GLY  67          2HA       GLY  67   7.594   8.013   2.388
  315    H    GLN  68           H        GLN  68   7.436   4.646   2.143
  316    HA   GLN  68           HA       GLN  68   9.391   3.815   4.082
  317   1HB   GLN  68          1HB       GLN  68   8.166   2.031   2.883
  318   2HB   GLN  68          2HB       GLN  68   8.505   2.824   1.358
  319   1HG   GLN  68          1HG       GLN  68   9.642   0.790   1.669
  320   2HG   GLN  68          2HG       GLN  68  10.798   2.109   1.395
  321   1HE2  GLN  68          1HE2      GLN  68  10.970  -0.734   2.495
  322   2HE2  GLN  68          2HE2      GLN  68  11.894  -0.445   3.956
  323    H    GLY  69           H        GLY  69  11.714   3.521   3.685
  324   1HA   GLY  69          1HA       GLY  69  13.083   5.768   2.629
  325   2HA   GLY  69          2HA       GLY  69  13.798   4.215   3.074
  326    H    GLY  70           H        GLY  70  12.271   5.996   0.518
  327   1HA   GLY  70          1HA       GLY  70  13.662   5.851  -1.689
  328   2HA   GLY  70          2HA       GLY  70  13.167   4.158  -1.659
  329    H    MET  71           H        MET  71  10.564   5.492  -0.256
  330    HA   MET  71           HA       MET  71   9.041   5.815  -2.769
  331   1HB   MET  71          1HB       MET  71   8.671   3.794  -1.473
  332   2HB   MET  71          2HB       MET  71   8.524   4.717   0.010
  333   1HG   MET  71          1HG       MET  71   6.479   5.724  -0.650
  334   2HG   MET  71          2HG       MET  71   6.493   4.946  -2.230
  335   1HE   MET  71          1HE       MET  71   3.949   4.650  -0.697
  336   2HE   MET  71          2HE       MET  71   3.834   3.460   0.623
  337   3HE   MET  71          3HE       MET  71   4.704   4.985   0.878
  338    HA   PRO  72           HA       PRO  72   8.099   9.830  -0.720
  339   1HB   PRO  72          1HB       PRO  72   6.268  10.802  -2.517
  340   2HB   PRO  72          2HB       PRO  72   8.034  10.854  -2.783
  341   1HG   PRO  72          1HG       PRO  72   6.035   8.947  -3.949
  342   2HG   PRO  72          2HG       PRO  72   7.465   9.663  -4.726
  343   1HD   PRO  72          1HD       PRO  72   7.320   7.095  -3.600
  344   2HD   PRO  72          2HD       PRO  72   8.852   7.988  -3.874
  345    H    GLY  73           H        GLY  73   6.503  10.156   0.871
  346   1HA   GLY  73          1HA       GLY  73   4.300   8.195   1.039
  347   2HA   GLY  73          2HA       GLY  73   4.905   9.281   2.294
  348    H    GLY  74           H        GLY  74   2.442   9.320   2.264
  349   1HA   GLY  74          1HA       GLY  74   0.628  10.765   2.280
  350   2HA   GLY  74          2HA       GLY  74   1.675  12.034   1.625
  351    H    ILE  75           H        ILE  75   1.665   9.168  -0.257
  352    HA   ILE  75           HA       ILE  75   0.482  10.297  -2.580
  353    HB   ILE  75           HB       ILE  75   1.109   7.464  -1.659
  354   1HG1  ILE  75          1HG1      ILE  75   2.435   9.364  -3.654
  355   2HG1  ILE  75          2HG1      ILE  75   3.012   9.003  -2.022
  356   1HG2  ILE  75          1HG2      ILE  75   0.116   8.307  -4.409
  357   2HG2  ILE  75          2HG2      ILE  75   0.787   6.711  -4.007
  358   3HG2  ILE  75          3HG2      ILE  75  -0.697   7.221  -3.249
  359   1HD1  ILE  75          1HD1      ILE  75   3.167   6.556  -2.722
  360   2HD1  ILE  75          2HD1      ILE  75   2.901   7.137  -4.392
  361   3HD1  ILE  75          3HD1      ILE  75   4.313   7.661  -3.495
  362    H    ALA  76           H        ALA  76  -0.859   8.665   0.234
  363    HA   ALA  76           HA       ALA  76  -3.524   9.313  -0.667
  364   1HB   ALA  76          1HB       ALA  76  -3.466   6.951  -1.286
  365   2HB   ALA  76          2HB       ALA  76  -2.583   6.527   0.197
  366   3HB   ALA  76          3HB       ALA  76  -4.274   7.015   0.297
  367    H    LYS  77           H        LYS  77  -4.838   9.828   1.261
  368    HA   LYS  77           HA       LYS  77  -3.434   9.539   3.872
  369   1HB   LYS  77          1HB       LYS  77  -4.401  12.150   2.638
  370   2HB   LYS  77          2HB       LYS  77  -4.114  11.910   4.349
  371   1HG   LYS  77          1HG       LYS  77  -1.709  11.007   3.391
  372   2HG   LYS  77          2HG       LYS  77  -2.160  12.098   2.086
  373   1HD   LYS  77          1HD       LYS  77  -0.883  13.418   3.565
  374   2HD   LYS  77          2HD       LYS  77  -2.558  13.867   3.939
  375   1HE   LYS  77          1HE       LYS  77  -2.476  12.175   5.870
  376   2HE   LYS  77          2HE       LYS  77  -0.777  11.881   5.468
  377   1HZ   LYS  77          1HZ       LYS  77  -1.904  14.451   6.353
  378   2HZ   LYS  77          2HZ       LYS  77  -1.015  13.413   7.264
  379   3HZ   LYS  77          3HZ       LYS  77  -0.320  14.174   5.986
  380    H    GLY  78           H        GLY  78  -4.664   9.785   5.738
  381   1HA   GLY  78          1HA       GLY  78  -6.464   9.348   7.056
  382   2HA   GLY  78          2HA       GLY  78  -7.421  10.291   5.898
  383    H    ALA  79           H        ALA  79  -9.212   8.982   5.808
  384    HA   ALA  79           HA       ALA  79  -9.662   6.354   5.800
  385   1HB   ALA  79          1HB       ALA  79 -10.948   8.306   3.867
  386   2HB   ALA  79          2HB       ALA  79 -11.606   6.734   4.375
  387   3HB   ALA  79          3HB       ALA  79 -11.409   8.033   5.565
  388    H    GLU  80           H        GLU  80  -8.265   8.090   3.045
  389    HA   GLU  80           HA       GLU  80  -8.387   6.080   1.047
  390   1HB   GLU  80          1HB       GLU  80  -7.723   8.647   1.063
  391   2HB   GLU  80          2HB       GLU  80  -6.115   8.030   1.419
  392   1HG   GLU  80          1HG       GLU  80  -6.259   6.740  -0.768
  393   2HG   GLU  80          2HG       GLU  80  -7.791   7.571  -1.073
  394    H    ALA  81           H        ALA  81  -5.686   6.923   3.372
  395    HA   ALA  81           HA       ALA  81  -4.089   4.665   2.535
  396   1HB   ALA  81          1HB       ALA  81  -3.135   6.811   3.337
  397   2HB   ALA  81          2HB       ALA  81  -3.831   6.510   4.944
  398   3HB   ALA  81          3HB       ALA  81  -2.586   5.420   4.284
  399    H    GLU  82           H        GLU  82  -6.325   5.409   5.234
  400    HA   GLU  82           HA       GLU  82  -5.816   3.133   6.867
  401   1HB   GLU  82          1HB       GLU  82  -8.388   4.656   6.352
  402   2HB   GLU  82          2HB       GLU  82  -8.138   3.548   7.694
  403   1HG   GLU  82          1HG       GLU  82  -6.601   4.970   8.780
  404   2HG   GLU  82          2HG       GLU  82  -6.278   5.929   7.338
  405    H    ALA  83           H        ALA  83  -8.191   3.619   4.206
  406    HA   ALA  83           HA       ALA  83  -9.269   1.009   4.206
  407   1HB   ALA  83          1HB       ALA  83  -8.891   2.898   1.840
  408   2HB   ALA  83          2HB       ALA  83  -9.995   1.509   1.938
  409   3HB   ALA  83          3HB       ALA  83 -10.258   2.910   2.981
  410    H    VAL  84           H        VAL  84  -6.466   2.381   2.342
  411    HA   VAL  84           HA       VAL  84  -5.715  -0.038   1.106
  412    HB   VAL  84           HB       VAL  84  -3.788   2.055   2.174
  413   1HG1  VAL  84          1HG1      VAL  84  -2.627  -0.060   1.789
  414   2HG1  VAL  84          2HG1      VAL  84  -3.520  -0.302   0.270
  415   3HG1  VAL  84          3HG1      VAL  84  -2.332   0.963   0.396
  416   1HG2  VAL  84          1HG2      VAL  84  -4.988   1.665  -0.593
  417   2HG2  VAL  84          2HG2      VAL  84  -5.162   3.095   0.441
  418   3HG2  VAL  84          3HG2      VAL  84  -3.571   2.682  -0.226
  419    H    ALA  85           H        ALA  85  -4.696   1.177   4.353
  420    HA   ALA  85           HA       ALA  85  -2.915  -0.814   5.033
  421   1HB   ALA  85          1HB       ALA  85  -4.921   0.442   6.964
  422   2HB   ALA  85          2HB       ALA  85  -3.316  -0.188   7.325
  423   3HB   ALA  85          3HB       ALA  85  -3.489   1.260   6.315
  424    H    ALA  86           H        ALA  86  -6.416  -0.830   5.793
  425    HA   ALA  86           HA       ALA  86  -6.543  -3.454   6.857
  426   1HB   ALA  86          1HB       ALA  86  -8.342  -1.815   7.118
  427   2HB   ALA  86          2HB       ALA  86  -8.682  -1.864   5.375
  428   3HB   ALA  86          3HB       ALA  86  -8.965  -3.304   6.378
  429    H    TRP  87           H        TRP  87  -7.239  -2.345   3.496
  430    HA   TRP  87           HA       TRP  87  -7.916  -4.906   2.484
  431   1HB   TRP  87          1HB       TRP  87  -8.630  -3.020   1.325
  432   2HB   TRP  87          2HB       TRP  87  -7.015  -2.304   1.356
  433    HD1  TRP  87           HD       TRP  87  -9.084  -4.628  -0.840
  434    HE1  TRP  87           1HE      TRP  87  -7.731  -5.227  -2.922
  435    HE3  TRP  87           3HE      TRP  87  -4.828  -2.114   0.288
  436    HZ2  TRP  87           2HZ      TRP  87  -4.915  -4.739  -3.897
  437    HZ3  TRP  87           3HZ      TRP  87  -2.984  -1.977  -1.350
  438    HH2  TRP  87           HH       TRP  87  -2.931  -3.520  -3.278
  439    H    LEU  88           H        LEU  88  -4.754  -3.221   2.402
  440    HA   LEU  88           HA       LEU  88  -3.420  -5.247   0.908
  441   1HB   LEU  88          1HB       LEU  88  -2.713  -2.709   1.931
  442   2HB   LEU  88          2HB       LEU  88  -1.540  -3.827   2.609
  443    HG   LEU  88           HG       LEU  88  -2.175  -3.915  -0.349
  444   1HD1  LEU  88          1HD1      LEU  88  -1.537  -1.558   0.395
  445   2HD1  LEU  88          2HD1      LEU  88   0.082  -2.239   0.603
  446   3HD1  LEU  88          3HD1      LEU  88  -0.779  -2.330  -0.974
  447   1HD2  LEU  88          1HD2      LEU  88  -0.983  -5.792   0.636
  448   2HD2  LEU  88          2HD2      LEU  88  -0.347  -4.944  -0.777
  449   3HD2  LEU  88          3HD2      LEU  88   0.369  -4.642   0.840
  450    H    ALA  89           H        ALA  89  -3.791  -4.635   4.405
  451    HA   ALA  89           HA       ALA  89  -2.323  -6.866   5.380
  452   1HB   ALA  89          1HB       ALA  89  -4.759  -5.540   6.571
  453   2HB   ALA  89          2HB       ALA  89  -3.693  -6.706   7.377
  454   3HB   ALA  89          3HB       ALA  89  -3.042  -5.147   6.836
  455    H    GLU  90           H        GLU  90  -5.713  -6.583   4.291
  456    HA   GLU  90           HA       GLU  90  -6.359  -9.345   4.743
  457   1HB   GLU  90          1HB       GLU  90  -7.898  -7.343   4.732
  458   2HB   GLU  90          2HB       GLU  90  -7.741  -7.292   2.973
  459   1HG   GLU  90          1HG       GLU  90  -8.778  -9.518   2.794
  460   2HG   GLU  90          2HG       GLU  90  -8.820  -9.660   4.562
  461    H    LYS  91           H        LYS  91  -4.411  -7.901   2.276
  462    HA   LYS  91           HA       LYS  91  -5.314  -9.566   0.093
  463   1HB   LYS  91          1HB       LYS  91  -3.973  -7.232   0.363
  464   2HB   LYS  91          2HB       LYS  91  -2.601  -8.253   0.045
  465   1HG   LYS  91          1HG       LYS  91  -5.033  -8.392  -1.790
  466   2HG   LYS  91          2HG       LYS  91  -4.106  -6.905  -1.768
  467   1HD   LYS  91          1HD       LYS  91  -3.421  -8.311  -3.614
  468   2HD   LYS  91          2HD       LYS  91  -2.088  -7.978  -2.500
  469   1HE   LYS  91          1HE       LYS  91  -2.181 -10.174  -1.557
  470   2HE   LYS  91          2HE       LYS  91  -3.750 -10.523  -2.338
  471   1HZ   LYS  91          1HZ       LYS  91  -2.117 -11.657  -3.474
  472   2HZ   LYS  91          2HZ       LYS  91  -2.392 -10.367  -4.464
  473   3HZ   LYS  91          3HZ       LYS  91  -1.051 -10.465  -3.498
  474    H    LYS  92           H        LYS  92  -3.373 -10.114   2.842
  475    HA   LYS  92           HA       LYS  92  -1.114 -11.329   1.814
  476   1HB   LYS  92          1HB       LYS  92  -0.706 -11.960   4.104
  477   2HB   LYS  92          2HB       LYS  92  -1.395 -10.331   3.976
  478   1HG   LYS  92          1HG       LYS  92  -3.657 -11.352   4.561
  479   2HG   LYS  92          2HG       LYS  92  -2.840 -12.885   4.848
  480   1HD   LYS  92          1HD       LYS  92  -1.532 -11.986   6.645
  481   2HD   LYS  92          2HD       LYS  92  -1.982 -10.321   6.226
  482   1HE   LYS  92          1HE       LYS  92  -4.309 -10.694   6.822
  483   2HE   LYS  92          2HE       LYS  92  -3.989 -12.392   7.202
  484   1HZ   LYS  92          1HZ       LYS  92  -4.030 -10.914   9.141
  485   2HZ   LYS  92          2HZ       LYS  92  -2.583 -11.683   8.982
  486   3HZ   LYS  92          3HZ       LYS  92  -2.722 -10.101   8.559
  487    HHA  HEC  93           HHA      HEC  93   8.649  -0.336   0.186
  488    HHB  HEC  93           HHB      HEC  93   2.251   0.069   0.785
  489    HHC  HEC  93           HHC      HEC  93   2.257   4.377  -3.993
  490    HHD  HEC  93           HHD      HEC  93   8.466   3.212  -5.071
  491   1HMA  HEC  93          1HMA      HEC  93   4.650  -1.542   3.401
  492   2HMA  HEC  93          2HMA      HEC  93   3.208  -0.719   2.815
  493   3HMA  HEC  93          3HMA      HEC  93   3.677  -2.289   2.117
  494   1HAA  HEC  93          1HAA      HEC  93   6.855  -1.853   3.045
  495   2HAA  HEC  93          2HAA      HEC  93   8.020  -0.726   2.442
  496   1HBA  HEC  93          1HBA      HEC  93   7.863  -2.328   0.301
  497   2HBA  HEC  93          2HBA      HEC  93   7.332  -3.499   1.493
  498   1HMB  HEC  93          1HMB      HEC  93  -0.656   2.011  -0.224
  499   2HMB  HEC  93          2HMB      HEC  93  -0.377   0.413  -0.959
  500   3HMB  HEC  93          3HMB      HEC  93   0.293   0.818   0.631
  501    HAB  HEC  93           HAB      HEC  93   0.282   3.950  -3.544
  502   1HBB  HEC  93          1HBB      HEC  93  -1.511   4.843  -2.439
  503   2HBB  HEC  93          2HBB      HEC  93  -1.507   3.666  -1.145
  504   3HBB  HEC  93          3HBB      HEC  93  -0.229   4.897  -1.218
  505   1HMC  HEC  93          1HMC      HEC  93   4.105   5.952  -6.794
  506   2HMC  HEC  93          2HMC      HEC  93   3.407   4.330  -6.947
  507   3HMC  HEC  93          3HMC      HEC  93   2.756   5.469  -5.779
  508    HAC  HEC  93           HAC      HEC  93   7.824   4.451  -6.609
  509   1HBC  HEC  93          1HBC      HEC  93   7.597   6.688  -5.843
  510   2HBC  HEC  93          2HBC      HEC  93   7.505   6.646  -7.605
  511   3HBC  HEC  93          3HBC      HEC  93   6.035   6.893  -6.646
  512   1HMD  HEC  93          1HMD      HEC  93  11.163   0.795  -4.255
  513   2HMD  HEC  93          2HMD      HEC  93  10.107   1.802  -5.227
  514   3HMD  HEC  93          3HMD      HEC  93  11.214   2.564  -4.053
  515   1HAD  HEC  93          1HAD      HEC  93  10.926  -0.622  -1.304
  516   2HAD  HEC  93          2HAD      HEC  93  10.571   0.561  -0.157
  517   1HBD  HEC  93          1HBD      HEC  93  12.648   1.249  -0.386
  518   2HBD  HEC  93          2HBD      HEC  93  11.783   2.335  -1.411
  Start of MODEL   25
    1   1H    VAL  22          1H        VAL  22 -14.511   4.279  -0.239
    2   2H    VAL  22          2H        VAL  22 -13.559   4.312   1.107
    3   3H    VAL  22          3H        VAL  22 -14.252   5.721   0.546
    4    HA   VAL  22           HA       VAL  22 -13.001   5.450  -1.503
    5    HB   VAL  22           HB       VAL  22 -11.395   5.634   1.079
    6   1HG1  VAL  22          1HG1      VAL  22  -9.793   4.951  -0.572
    7   2HG1  VAL  22          2HG1      VAL  22 -10.534   5.970  -1.830
    8   3HG1  VAL  22          3HG1      VAL  22  -9.688   6.717  -0.468
    9   1HG2  VAL  22          1HG2      VAL  22 -13.050   7.482   0.606
   10   2HG2  VAL  22          2HG2      VAL  22 -11.370   8.030   0.534
   11   3HG2  VAL  22          3HG2      VAL  22 -12.264   7.733  -0.968
   12    H    ASP  23           H        ASP  23 -12.820   3.760  -2.703
   13    HA   ASP  23           HA       ASP  23 -12.721   1.178  -1.869
   14   1HB   ASP  23          1HB       ASP  23 -12.224   2.414  -4.598
   15   2HB   ASP  23          2HB       ASP  23 -12.690   0.729  -4.309
   16    H    ALA  24           H        ALA  24 -11.034   0.421  -0.790
   17    HA   ALA  24           HA       ALA  24  -8.498   1.315  -0.734
   18   1HB   ALA  24          1HB       ALA  24  -7.889  -0.693   0.358
   19   2HB   ALA  24          2HB       ALA  24  -9.514  -0.233   0.906
   20   3HB   ALA  24          3HB       ALA  24  -9.330  -1.552  -0.266
   21    H    GLU  25           H        GLU  25  -9.522  -1.581  -2.641
   22    HA   GLU  25           HA       GLU  25  -6.926  -1.947  -3.745
   23   1HB   GLU  25          1HB       GLU  25  -7.761  -3.595  -5.076
   24   2HB   GLU  25          2HB       GLU  25  -8.903  -3.619  -3.731
   25   1HG   GLU  25          1HG       GLU  25 -10.480  -2.274  -5.105
   26   2HG   GLU  25          2HG       GLU  25  -9.308  -2.334  -6.478
   27    H    ALA  26           H        ALA  26  -9.761  -0.007  -4.853
   28    HA   ALA  26           HA       ALA  26  -8.780   0.638  -7.404
   29   1HB   ALA  26          1HB       ALA  26 -11.105   1.115  -6.527
   30   2HB   ALA  26          2HB       ALA  26 -10.398   2.548  -5.722
   31   3HB   ALA  26          3HB       ALA  26 -10.341   2.408  -7.478
   32    H    VAL  27           H        VAL  27  -8.338   2.383  -4.300
   33    HA   VAL  27           HA       VAL  27  -6.466   4.448  -5.126
   34    HB   VAL  27           HB       VAL  27  -6.545   2.771  -2.578
   35   1HG1  VAL  27          1HG1      VAL  27  -4.310   3.754  -2.877
   36   2HG1  VAL  27          2HG1      VAL  27  -5.039   5.338  -3.223
   37   3HG1  VAL  27          3HG1      VAL  27  -5.191   4.610  -1.618
   38   1HG2  VAL  27          1HG2      VAL  27  -7.624   4.703  -1.586
   39   2HG2  VAL  27          2HG2      VAL  27  -7.559   5.587  -3.129
   40   3HG2  VAL  27          3HG2      VAL  27  -8.596   4.155  -2.960
   41    H    VAL  28           H        VAL  28  -5.670   1.002  -4.057
   42    HA   VAL  28           HA       VAL  28  -3.023   1.734  -4.687
   43    HB   VAL  28           HB       VAL  28  -4.432  -0.851  -3.985
   44   1HG1  VAL  28          1HG1      VAL  28  -2.595  -1.653  -5.161
   45   2HG1  VAL  28          2HG1      VAL  28  -1.495  -0.466  -4.477
   46   3HG1  VAL  28          3HG1      VAL  28  -2.080  -1.737  -3.450
   47   1HG2  VAL  28          1HG2      VAL  28  -4.358   0.165  -1.985
   48   2HG2  VAL  28          2HG2      VAL  28  -2.578   0.003  -2.011
   49   3HG2  VAL  28          3HG2      VAL  28  -3.348   1.482  -2.547
   50    H    GLN  29           H        GLN  29  -5.331   0.023  -6.493
   51    HA   GLN  29           HA       GLN  29  -3.903  -0.625  -8.868
   52   1HB   GLN  29          1HB       GLN  29  -6.835  -0.248  -8.144
   53   2HB   GLN  29          2HB       GLN  29  -6.357  -0.825  -9.711
   54   1HG   GLN  29          1HG       GLN  29  -5.713  -2.219  -7.088
   55   2HG   GLN  29          2HG       GLN  29  -6.958  -2.684  -8.252
   56   1HE2  GLN  29          1HE2      GLN  29  -4.135  -3.801  -7.210
   57   2HE2  GLN  29          2HE2      GLN  29  -3.340  -4.225  -8.721
   58    H    GLN  30           H        GLN  30  -4.633   2.485  -7.661
   59    HA   GLN  30           HA       GLN  30  -3.789   3.458 -10.345
   60   1HB   GLN  30          1HB       GLN  30  -6.334   3.922  -9.212
   61   2HB   GLN  30          2HB       GLN  30  -5.443   5.412  -8.902
   62   1HG   GLN  30          1HG       GLN  30  -4.829   5.527 -11.320
   63   2HG   GLN  30          2HG       GLN  30  -5.672   3.993 -11.601
   64   1HE2  GLN  30          1HE2      GLN  30  -6.307   7.273 -10.206
   65   2HE2  GLN  30          2HE2      GLN  30  -7.936   7.371 -10.865
   66    H    LYS  31           H        LYS  31  -3.090   3.481  -7.009
   67    HA   LYS  31           HA       LYS  31  -1.481   5.984  -7.207
   68   1HB   LYS  31          1HB       LYS  31  -3.007   4.645  -4.930
   69   2HB   LYS  31          2HB       LYS  31  -1.834   5.845  -4.658
   70   1HG   LYS  31          1HG       LYS  31  -3.426   7.020  -6.676
   71   2HG   LYS  31          2HG       LYS  31  -4.557   6.223  -5.569
   72   1HD   LYS  31          1HD       LYS  31  -3.481   7.329  -3.644
   73   2HD   LYS  31          2HD       LYS  31  -2.282   8.082  -4.714
   74   1HE   LYS  31          1HE       LYS  31  -3.859   9.541  -5.704
   75   2HE   LYS  31          2HE       LYS  31  -5.239   8.645  -5.027
   76   1HZ   LYS  31          1HZ       LYS  31  -4.652  10.711  -3.784
   77   2HZ   LYS  31          2HZ       LYS  31  -4.754   9.318  -2.922
   78   3HZ   LYS  31          3HZ       LYS  31  -3.278   9.930  -3.246
   79    H    CYS  32           H        CYS  32  -1.266   2.503  -6.527
   80    HA   CYS  32           HA       CYS  32   1.564   2.953  -5.638
   81   1HB   CYS  32          1HB       CYS  32   0.176   0.405  -5.194
   82   2HB   CYS  32          2HB       CYS  32   1.421   1.128  -4.230
   83    H    ILE  33           H        ILE  33  -0.570   0.944  -7.693
   84    HA   ILE  33           HA       ILE  33   1.327  -0.738  -8.795
   85    HB   ILE  33           HB       ILE  33  -0.018  -0.760 -10.841
   86   1HG1  ILE  33          1HG1      ILE  33  -1.938   1.227  -9.606
   87   2HG1  ILE  33          2HG1      ILE  33  -0.694   1.728 -10.750
   88   1HG2  ILE  33          1HG2      ILE  33  -0.560  -2.153  -8.928
   89   2HG2  ILE  33          2HG2      ILE  33  -1.634  -0.919  -8.268
   90   3HG2  ILE  33          3HG2      ILE  33  -2.032  -1.712  -9.799
   91   1HD1  ILE  33          1HD1      ILE  33  -2.851  -0.309 -11.365
   92   2HD1  ILE  33          2HD1      ILE  33  -2.698   1.345 -11.994
   93   3HD1  ILE  33          3HD1      ILE  33  -1.500   0.122 -12.432
   94    H    SER  34           H        SER  34   0.888   2.664  -9.433
   95    HA   SER  34           HA       SER  34   2.326   3.175 -11.688
   96   1HB   SER  34          1HB       SER  34   1.168   4.839 -10.163
   97   2HB   SER  34          2HB       SER  34   2.606   4.791  -9.123
   98    HG   SER  34           HG       SER  34   3.753   5.315 -11.201
   99    H    CYS  35           H        CYS  35   3.697   2.079  -8.595
  100    HA   CYS  35           HA       CYS  35   6.346   1.887  -9.954
  101   1HB   CYS  35          1HB       CYS  35   6.177   2.238  -6.953
  102   2HB   CYS  35          2HB       CYS  35   7.545   2.417  -8.033
  103    H    HIS  36           H        HIS  36   4.123   0.517  -7.476
  104    HA   HIS  36           HA       HIS  36   5.687  -1.875  -7.151
  105   1HB   HIS  36          1HB       HIS  36   2.899  -1.088  -6.292
  106   2HB   HIS  36          2HB       HIS  36   3.642  -2.641  -5.892
  107    HD1  HIS  36           1HD      HIS  36   5.758  -2.622  -4.169
  108    HD2  HIS  36           2HD      HIS  36   3.736   1.041  -4.821
  109    HE1  HIS  36           1HE      HIS  36   6.388  -1.069  -2.267
  110    H    GLY  37           H        GLY  37   3.597  -1.026  -9.749
  111   1HA   GLY  37          1HA       GLY  37   4.126  -2.350 -11.641
  112   2HA   GLY  37          2HA       GLY  37   3.890  -3.840 -10.733
  113    H    GLY  38           H        GLY  38   1.687  -4.374 -10.085
  114   1HA   GLY  38          1HA       GLY  38  -0.616  -3.068 -11.358
  115   2HA   GLY  38          2HA       GLY  38  -0.086  -4.560 -12.151
  116    H    ASP  39           H        ASP  39   0.330  -6.444 -10.599
  117    HA   ASP  39           HA       ASP  39  -1.848  -6.808  -8.722
  118   1HB   ASP  39          1HB       ASP  39   0.484  -8.538  -9.607
  119   2HB   ASP  39          2HB       ASP  39  -0.773  -9.063  -8.468
  120    H    LEU  40           H        LEU  40   0.810  -5.005  -8.294
  121    HA   LEU  40           HA       LEU  40   2.145  -4.326  -6.635
  122   1HB   LEU  40          1HB       LEU  40   0.371  -5.784  -4.635
  123   2HB   LEU  40          2HB       LEU  40   1.522  -4.490  -4.361
  124    HG   LEU  40           HG       LEU  40  -0.535  -3.457  -4.213
  125   1HD1  LEU  40          1HD1      LEU  40   1.012  -2.145  -5.559
  126   2HD1  LEU  40          2HD1      LEU  40   0.453  -2.927  -7.053
  127   3HD1  LEU  40          3HD1      LEU  40  -0.629  -1.881  -6.159
  128   1HD2  LEU  40          1HD2      LEU  40  -2.434  -3.745  -5.509
  129   2HD2  LEU  40          2HD2      LEU  40  -1.567  -4.532  -6.822
  130   3HD2  LEU  40          3HD2      LEU  40  -1.794  -5.361  -5.256
  131    H    THR  41           H        THR  41   2.539  -6.855  -8.030
  132    HA   THR  41           HA       THR  41   3.919  -8.688  -6.325
  133    HB   THR  41           HB       THR  41   4.604  -9.393  -8.786
  134    HG1  THR  41           1HG      THR  41   3.085  -8.469 -10.280
  135   1HG2  THR  41          1HG2      THR  41   2.918 -10.593  -7.464
  136   2HG2  THR  41          2HG2      THR  41   1.712  -9.337  -7.780
  137   3HG2  THR  41          3HG2      THR  41   2.298 -10.360  -9.109
  138    H    GLY  42           H        GLY  42   4.750  -5.555  -7.656
  139   1HA   GLY  42          1HA       GLY  42   6.550  -4.442  -6.755
  140   2HA   GLY  42          2HA       GLY  42   7.429  -5.949  -6.468
  141    H    ALA  43           H        ALA  43   6.613  -3.509  -8.851
  142    HA   ALA  43           HA       ALA  43   8.404  -4.732 -10.891
  143   1HB   ALA  43          1HB       ALA  43   6.516  -2.353 -11.020
  144   2HB   ALA  43          2HB       ALA  43   7.542  -2.933 -12.349
  145   3HB   ALA  43          3HB       ALA  43   6.268  -3.975 -11.687
  146    H    SER  44           H        SER  44   7.969  -1.314  -9.916
  147    HA   SER  44           HA       SER  44  10.905  -0.883 -10.046
  148   1HB   SER  44          1HB       SER  44   9.331   0.597 -11.340
  149   2HB   SER  44          2HB       SER  44   8.648   1.137  -9.791
  150    HG   SER  44           HG       SER  44  10.887   1.674  -9.228
  151    H    ALA  45           H        ALA  45   8.881  -1.975  -7.740
  152    HA   ALA  45           HA       ALA  45  10.244  -0.762  -5.437
  153   1HB   ALA  45          1HB       ALA  45   8.028  -0.310  -4.394
  154   2HB   ALA  45          2HB       ALA  45   8.237   0.672  -5.858
  155   3HB   ALA  45          3HB       ALA  45   7.224  -0.772  -5.903
  156    HA   PRO  46           HA       PRO  46   9.921  -5.066  -4.434
  157   1HB   PRO  46          1HB       PRO  46   9.431  -5.145  -1.704
  158   2HB   PRO  46          2HB       PRO  46  11.011  -4.740  -2.435
  159   1HG   PRO  46          1HG       PRO  46   8.856  -2.838  -1.503
  160   2HG   PRO  46          2HG       PRO  46  10.604  -2.791  -1.115
  161   1HD   PRO  46          1HD       PRO  46   9.537  -1.252  -3.085
  162   2HD   PRO  46          2HD       PRO  46  11.121  -2.033  -3.344
  163    H    ALA  47           H        ALA  47   8.461  -6.760  -3.691
  164    HA   ALA  47           HA       ALA  47   5.779  -6.374  -4.578
  165   1HB   ALA  47          1HB       ALA  47   5.451  -8.679  -3.857
  166   2HB   ALA  47          2HB       ALA  47   7.054  -8.562  -4.615
  167   3HB   ALA  47          3HB       ALA  47   6.914  -8.624  -2.852
  168    H    ILE  48           H        ILE  48   4.063  -5.593  -3.455
  169    HA   ILE  48           HA       ILE  48   4.145  -5.838  -0.482
  170    HB   ILE  48           HB       ILE  48   2.961  -3.770  -0.153
  171   1HG1  ILE  48          1HG1      ILE  48   3.185  -2.037  -2.075
  172   2HG1  ILE  48          2HG1      ILE  48   3.250  -3.415  -3.144
  173   1HG2  ILE  48          1HG2      ILE  48   5.581  -3.482  -1.669
  174   2HG2  ILE  48          2HG2      ILE  48   4.884  -2.311  -0.550
  175   3HG2  ILE  48          3HG2      ILE  48   5.392  -3.895   0.047
  176   1HD1  ILE  48          1HD1      ILE  48   1.059  -2.672  -1.104
  177   2HD1  ILE  48          2HD1      ILE  48   0.962  -2.402  -2.846
  178   3HD1  ILE  48          3HD1      ILE  48   0.939  -4.061  -2.199
  179    H    ASP  49           H        ASP  49   2.629  -6.951  -3.259
  180    HA   ASP  49           HA       ASP  49   0.021  -7.382  -2.565
  181   1HB   ASP  49          1HB       ASP  49   1.160  -8.333  -4.539
  182   2HB   ASP  49          2HB       ASP  49   2.032  -9.482  -3.510
  183    H    LYS  50           H        LYS  50   2.847  -8.970  -1.092
  184    HA   LYS  50           HA       LYS  50   1.105 -10.418   0.849
  185   1HB   LYS  50          1HB       LYS  50   3.722 -11.027  -0.418
  186   2HB   LYS  50          2HB       LYS  50   3.631 -11.375   1.307
  187   1HG   LYS  50          1HG       LYS  50   2.963 -13.329   0.039
  188   2HG   LYS  50          2HG       LYS  50   1.605 -12.727   1.005
  189   1HD   LYS  50          1HD       LYS  50   0.678 -11.597  -1.029
  190   2HD   LYS  50          2HD       LYS  50   2.066 -12.147  -1.958
  191   1HE   LYS  50          1HE       LYS  50   0.510 -13.698  -2.573
  192   2HE   LYS  50          2HE       LYS  50   1.256 -14.567  -1.222
  193   1HZ   LYS  50          1HZ       LYS  50  -1.145 -14.635  -1.106
  194   2HZ   LYS  50          2HZ       LYS  50  -0.690 -13.724   0.151
  195   3HZ   LYS  50          3HZ       LYS  50  -1.261 -13.004  -1.189
  196    H    ALA  51           H        ALA  51   2.268  -7.420   0.795
  197    HA   ALA  51           HA       ALA  51   3.794  -7.173   3.145
  198   1HB   ALA  51          1HB       ALA  51   3.499  -5.344   1.596
  199   2HB   ALA  51          2HB       ALA  51   1.771  -5.240   1.985
  200   3HB   ALA  51          3HB       ALA  51   2.977  -4.858   3.221
  201    H    GLY  52           H        GLY  52   0.184  -7.613   2.789
  202   1HA   GLY  52          1HA       GLY  52  -0.375  -7.184   5.538
  203   2HA   GLY  52          2HA       GLY  52  -1.314  -8.176   4.408
  204    H    ALA  53           H        ALA  53   1.029 -10.021   3.898
  205    HA   ALA  53           HA       ALA  53   0.756 -11.757   6.261
  206   1HB   ALA  53          1HB       ALA  53   2.317 -13.240   5.083
  207   2HB   ALA  53          2HB       ALA  53   0.952 -12.835   4.048
  208   3HB   ALA  53          3HB       ALA  53   2.523 -12.053   3.790
  209    H    ASN  54           H        ASN  54   3.262  -9.737   4.709
  210    HA   ASN  54           HA       ASN  54   5.351 -10.586   6.514
  211   1HB   ASN  54          1HB       ASN  54   5.205  -8.092   4.758
  212   2HB   ASN  54          2HB       ASN  54   6.659  -8.729   5.524
  213   1HD2  ASN  54          1HD2      ASN  54   6.912 -11.292   5.028
  214   2HD2  ASN  54          2HD2      ASN  54   6.812 -11.623   3.308
  215    H    TYR  55           H        TYR  55   3.136  -7.851   6.476
  216    HA   TYR  55           HA       TYR  55   4.207  -6.721   9.019
  217   1HB   TYR  55          1HB       TYR  55   3.331  -5.094   6.622
  218   2HB   TYR  55          2HB       TYR  55   4.148  -4.538   8.081
  219    HD1  TYR  55           1HD      TYR  55   4.743  -4.316   4.908
  220    HD2  TYR  55           2HD      TYR  55   6.486  -6.422   8.244
  221    HE1  TYR  55           1HE      TYR  55   6.966  -4.200   3.827
  222    HE2  TYR  55           2HE      TYR  55   8.688  -6.353   7.127
  223    HH   TYR  55           HH       TYR  55   9.254  -4.634   4.039
  224    H    SER  56           H        SER  56   2.437  -5.056   9.804
  225    HA   SER  56           HA       SER  56  -0.286  -6.218   9.279
  226   1HB   SER  56          1HB       SER  56   0.740  -4.892  11.807
  227   2HB   SER  56          2HB       SER  56  -0.877  -5.570  11.536
  228    HG   SER  56           HG       SER  56   1.500  -7.091  11.217
  229    H    GLU  57           H        GLU  57  -2.067  -4.552   9.688
  230    HA   GLU  57           HA       GLU  57  -1.818  -2.593   7.741
  231   1HB   GLU  57          1HB       GLU  57  -3.887  -1.597   8.754
  232   2HB   GLU  57          2HB       GLU  57  -4.009  -3.265   8.224
  233   1HG   GLU  57          1HG       GLU  57  -3.365  -2.755  11.136
  234   2HG   GLU  57          2HG       GLU  57  -4.998  -2.470  10.534
  235    H    GLU  58           H        GLU  58  -1.203  -2.195  11.296
  236    HA   GLU  58           HA       GLU  58  -0.927   0.599  11.274
  237   1HB   GLU  58          1HB       GLU  58   0.704   0.248  13.152
  238   2HB   GLU  58          2HB       GLU  58  -0.908  -0.430  13.374
  239   1HG   GLU  58          1HG       GLU  58   1.244  -2.282  12.345
  240   2HG   GLU  58          2HG       GLU  58   1.290  -1.774  14.023
  241    H    GLU  59           H        GLU  59   1.571  -1.833  10.459
  242    HA   GLU  59           HA       GLU  59   3.739  -0.002  10.142
  243   1HB   GLU  59          1HB       GLU  59   3.189  -2.720   8.875
  244   2HB   GLU  59          2HB       GLU  59   4.767  -1.932   8.896
  245   1HG   GLU  59          1HG       GLU  59   3.266  -2.768  11.425
  246   2HG   GLU  59          2HG       GLU  59   4.495  -3.732  10.608
  247    H    ILE  60           H        ILE  60   1.491  -1.533   7.860
  248    HA   ILE  60           HA       ILE  60   2.677  -0.436   5.487
  249    HB   ILE  60           HB       ILE  60  -0.149  -1.414   5.926
  250   1HG1  ILE  60          1HG1      ILE  60   2.129  -3.059   4.776
  251   2HG1  ILE  60          2HG1      ILE  60   1.773  -3.074   6.500
  252   1HG2  ILE  60          1HG2      ILE  60   1.044  -0.258   3.592
  253   2HG2  ILE  60          2HG2      ILE  60   0.851  -1.977   3.261
  254   3HG2  ILE  60          3HG2      ILE  60  -0.547  -1.024   3.758
  255   1HD1  ILE  60          1HD1      ILE  60  -0.241  -3.840   4.374
  256   2HD1  ILE  60          2HD1      ILE  60   0.698  -4.948   5.395
  257   3HD1  ILE  60          3HD1      ILE  60  -0.488  -3.862   6.132
  258    H    LEU  61           H        LEU  61  -0.112   0.495   7.503
  259    HA   LEU  61           HA       LEU  61  -1.025   2.762   6.144
  260   1HB   LEU  61          1HB       LEU  61  -2.060   1.639   8.154
  261   2HB   LEU  61          2HB       LEU  61  -0.830   2.370   9.168
  262    HG   LEU  61           HG       LEU  61  -1.637   4.636   8.318
  263   1HD1  LEU  61          1HD1      LEU  61  -3.964   4.691   7.433
  264   2HD1  LEU  61          2HD1      LEU  61  -2.864   3.869   6.319
  265   3HD1  LEU  61          3HD1      LEU  61  -3.937   2.915   7.350
  266   1HD2  LEU  61          1HD2      LEU  61  -2.217   3.803  10.550
  267   2HD2  LEU  61          2HD2      LEU  61  -3.592   4.668   9.835
  268   3HD2  LEU  61          3HD2      LEU  61  -3.586   2.890   9.872
  269    H    ASP  62           H        ASP  62   1.431   2.512   8.768
  270    HA   ASP  62           HA       ASP  62   1.980   5.266   8.796
  271   1HB   ASP  62          1HB       ASP  62   2.807   3.249  10.366
  272   2HB   ASP  62          2HB       ASP  62   4.220   3.291   9.316
  273    H    ILE  63           H        ILE  63   3.404   2.605   6.877
  274    HA   ILE  63           HA       ILE  63   5.400   4.228   5.577
  275    HB   ILE  63           HB       ILE  63   4.093   1.561   5.015
  276   1HG1  ILE  63          1HG1      ILE  63   7.045   2.179   5.183
  277   2HG1  ILE  63          2HG1      ILE  63   6.076   2.136   6.665
  278   1HG2  ILE  63          1HG2      ILE  63   4.268   2.245   2.784
  279   2HG2  ILE  63          2HG2      ILE  63   5.815   3.102   3.052
  280   3HG2  ILE  63          3HG2      ILE  63   5.753   1.342   3.091
  281   1HD1  ILE  63          1HD1      ILE  63   7.126  -0.051   6.200
  282   2HD1  ILE  63          2HD1      ILE  63   5.355  -0.145   6.234
  283   3HD1  ILE  63          3HD1      ILE  63   6.214  -0.168   4.685
  284    H    ILE  64           H        ILE  64   2.030   3.460   4.599
  285    HA   ILE  64           HA       ILE  64   2.109   4.858   2.110
  286    HB   ILE  64           HB       ILE  64  -0.160   4.307   4.055
  287   1HG1  ILE  64          1HG1      ILE  64   0.332   2.914   1.422
  288   2HG1  ILE  64          2HG1      ILE  64   1.274   2.406   2.822
  289   1HG2  ILE  64          1HG2      ILE  64  -0.257   5.256   1.159
  290   2HG2  ILE  64          2HG2      ILE  64  -1.653   4.637   2.061
  291   3HG2  ILE  64          3HG2      ILE  64  -0.863   6.123   2.585
  292   1HD1  ILE  64          1HD1      ILE  64  -0.749   1.943   4.113
  293   2HD1  ILE  64          2HD1      ILE  64  -1.760   2.491   2.779
  294   3HD1  ILE  64          3HD1      ILE  64  -0.735   1.045   2.601
  295    H    LEU  65           H        LEU  65   1.223   5.925   5.402
  296    HA   LEU  65           HA       LEU  65   0.624   8.626   4.632
  297   1HB   LEU  65          1HB       LEU  65   1.259   7.327   7.294
  298   2HB   LEU  65          2HB       LEU  65   0.692   8.992   7.117
  299    HG   LEU  65           HG       LEU  65  -0.994   6.603   6.191
  300   1HD1  LEU  65          1HD1      LEU  65  -0.508   6.557   8.677
  301   2HD1  LEU  65          2HD1      LEU  65  -1.102   8.220   8.793
  302   3HD1  LEU  65          3HD1      LEU  65  -2.210   6.922   8.310
  303   1HD2  LEU  65          1HD2      LEU  65  -2.788   8.262   6.335
  304   2HD2  LEU  65          2HD2      LEU  65  -1.603   9.528   6.713
  305   3HD2  LEU  65          3HD2      LEU  65  -1.535   8.680   5.145
  306    H    ASN  66           H        ASN  66   3.616   7.035   5.510
  307    HA   ASN  66           HA       ASN  66   5.035   9.597   6.064
  308   1HB   ASN  66          1HB       ASN  66   5.685   6.672   6.618
  309   2HB   ASN  66          2HB       ASN  66   6.868   7.935   6.755
  310   1HD2  ASN  66          1HD2      ASN  66   3.594   7.165   7.848
  311   2HD2  ASN  66          2HD2      ASN  66   3.876   7.464   9.524
  312    H    GLY  67           H        GLY  67   5.631   6.515   4.306
  313   1HA   GLY  67          1HA       GLY  67   6.481   6.825   1.925
  314   2HA   GLY  67          2HA       GLY  67   7.767   7.785   2.689
  315    H    GLN  68           H        GLN  68   8.935   5.974   1.546
  316    HA   GLN  68           HA       GLN  68  10.067   4.276   3.525
  317   1HB   GLN  68          1HB       GLN  68   8.348   2.531   2.543
  318   2HB   GLN  68          2HB       GLN  68   8.952   2.990   0.966
  319   1HG   GLN  68          1HG       GLN  68   9.759   0.869   1.873
  320   2HG   GLN  68          2HG       GLN  68  11.081   1.958   1.432
  321   1HE2  GLN  68          1HE2      GLN  68  10.184  -0.332   3.565
  322   2HE2  GLN  68          2HE2      GLN  68  11.089   0.230   4.963
  323    H    GLY  69           H        GLY  69  12.249   3.593   2.531
  324   1HA   GLY  69          1HA       GLY  69  14.077   4.959   1.625
  325   2HA   GLY  69          2HA       GLY  69  13.718   3.599   0.563
  326    H    GLY  70           H        GLY  70  12.854   4.036  -1.591
  327   1HA   GLY  70          1HA       GLY  70  13.146   6.815  -2.538
  328   2HA   GLY  70          2HA       GLY  70  12.977   5.330  -3.474
  329    H    MET  71           H        MET  71  10.617   5.585  -1.010
  330    HA   MET  71           HA       MET  71   8.486   6.056  -3.003
  331   1HB   MET  71          1HB       MET  71   8.496   4.030  -1.615
  332   2HB   MET  71          2HB       MET  71   8.474   4.985  -0.170
  333   1HG   MET  71          1HG       MET  71   6.334   5.879  -0.585
  334   2HG   MET  71          2HG       MET  71   6.211   5.131  -2.177
  335   1HE   MET  71          1HE       MET  71   3.749   3.483   0.664
  336   2HE   MET  71          2HE       MET  71   4.543   5.048   0.927
  337   3HE   MET  71          3HE       MET  71   3.804   4.678  -0.650
  338    HA   PRO  72           HA       PRO  72   8.628  10.181  -1.251
  339   1HB   PRO  72          1HB       PRO  72   6.386  11.329  -2.387
  340   2HB   PRO  72          2HB       PRO  72   7.906  11.007  -3.271
  341   1HG   PRO  72          1HG       PRO  72   5.427   9.294  -3.172
  342   2HG   PRO  72          2HG       PRO  72   6.351   9.782  -4.620
  343   1HD   PRO  72          1HD       PRO  72   6.735   7.359  -3.492
  344   2HD   PRO  72          2HD       PRO  72   8.148   8.298  -4.078
  345    H    GLY  73           H        GLY  73   5.587   8.358  -1.057
  346   1HA   GLY  73          1HA       GLY  73   4.341   7.885   0.832
  347   2HA   GLY  73          2HA       GLY  73   5.411   8.921   1.790
  348    H    GLY  74           H        GLY  74   2.710   8.898   2.171
  349   1HA   GLY  74          1HA       GLY  74   0.937  10.302   2.461
  350   2HA   GLY  74          2HA       GLY  74   1.937  11.686   1.954
  351    H    ILE  75           H        ILE  75   1.785   8.981  -0.170
  352    HA   ILE  75           HA       ILE  75   0.492  10.243  -2.356
  353    HB   ILE  75           HB       ILE  75   1.120   7.382  -1.552
  354   1HG1  ILE  75          1HG1      ILE  75   2.321   8.865  -3.894
  355   2HG1  ILE  75          2HG1      ILE  75   2.896   9.273  -2.277
  356   1HG2  ILE  75          1HG2      ILE  75  -0.775   7.188  -3.046
  357   2HG2  ILE  75          2HG2      ILE  75  -0.036   8.334  -4.198
  358   3HG2  ILE  75          3HG2      ILE  75   0.678   6.735  -3.933
  359   1HD1  ILE  75          1HD1      ILE  75   2.782   6.399  -3.198
  360   2HD1  ILE  75          2HD1      ILE  75   4.183   7.424  -3.512
  361   3HD1  ILE  75          3HD1      ILE  75   3.682   7.084  -1.839
  362    H    ALA  76           H        ALA  76  -0.724   8.493   0.500
  363    HA   ALA  76           HA       ALA  76  -3.467   9.180  -0.247
  364   1HB   ALA  76          1HB       ALA  76  -2.414   6.381   0.407
  365   2HB   ALA  76          2HB       ALA  76  -4.109   6.826   0.617
  366   3HB   ALA  76          3HB       ALA  76  -3.372   6.863  -1.004
  367    H    LYS  77           H        LYS  77  -4.608   9.810   1.673
  368    HA   LYS  77           HA       LYS  77  -3.389   9.214   4.263
  369   1HB   LYS  77          1HB       LYS  77  -3.925  12.021   3.188
  370   2HB   LYS  77          2HB       LYS  77  -3.757  11.632   4.891
  371   1HG   LYS  77          1HG       LYS  77  -1.510  10.449   3.729
  372   2HG   LYS  77          2HG       LYS  77  -1.664  11.952   2.837
  373   1HD   LYS  77          1HD       LYS  77  -1.508  13.212   4.981
  374   2HD   LYS  77          2HD       LYS  77  -1.583  11.685   5.885
  375   1HE   LYS  77          1HE       LYS  77   0.476  10.969   4.463
  376   2HE   LYS  77          2HE       LYS  77   0.685  12.679   4.078
  377   1HZ   LYS  77          1HZ       LYS  77   1.293  13.034   6.296
  378   2HZ   LYS  77          2HZ       LYS  77   0.550  11.661   6.845
  379   3HZ   LYS  77          3HZ       LYS  77   1.909  11.531   5.944
  380    H    GLY  78           H        GLY  78  -4.746   9.756   6.084
  381   1HA   GLY  78          1HA       GLY  78  -6.696   9.453   7.236
  382   2HA   GLY  78          2HA       GLY  78  -7.478  10.380   5.940
  383    H    ALA  79           H        ALA  79  -9.308   9.166   5.716
  384    HA   ALA  79           HA       ALA  79  -9.838   6.526   5.791
  385   1HB   ALA  79          1HB       ALA  79 -11.530   8.248   5.361
  386   2HB   ALA  79          2HB       ALA  79 -10.909   8.470   3.707
  387   3HB   ALA  79          3HB       ALA  79 -11.656   6.930   4.182
  388    H    GLU  80           H        GLU  80  -8.173   8.177   3.105
  389    HA   GLU  80           HA       GLU  80  -8.296   6.035   1.226
  390   1HB   GLU  80          1HB       GLU  80  -7.664   8.554   0.913
  391   2HB   GLU  80          2HB       GLU  80  -6.050   8.067   1.438
  392   1HG   GLU  80          1HG       GLU  80  -6.049   6.364  -0.427
  393   2HG   GLU  80          2HG       GLU  80  -7.596   7.019  -0.964
  394    H    ALA  81           H        ALA  81  -5.709   6.986   3.612
  395    HA   ALA  81           HA       ALA  81  -4.033   4.754   2.881
  396   1HB   ALA  81          1HB       ALA  81  -3.992   6.506   5.364
  397   2HB   ALA  81          2HB       ALA  81  -2.675   5.470   4.758
  398   3HB   ALA  81          3HB       ALA  81  -3.179   6.878   3.825
  399    H    GLU  82           H        GLU  82  -6.409   5.440   5.488
  400    HA   GLU  82           HA       GLU  82  -6.083   3.078   7.026
  401   1HB   GLU  82          1HB       GLU  82  -8.523   4.781   6.436
  402   2HB   GLU  82          2HB       GLU  82  -8.475   3.510   7.661
  403   1HG   GLU  82          1HG       GLU  82  -6.778   4.645   8.929
  404   2HG   GLU  82          2HG       GLU  82  -6.495   5.836   7.653
  405    H    ALA  83           H        ALA  83  -8.335   3.717   4.308
  406    HA   ALA  83           HA       ALA  83  -9.408   1.139   4.051
  407   1HB   ALA  83          1HB       ALA  83  -8.850   3.186   1.855
  408   2HB   ALA  83          2HB       ALA  83  -9.941   1.797   1.740
  409   3HB   ALA  83          3HB       ALA  83 -10.305   3.098   2.875
  410    H    VAL  84           H        VAL  84  -6.537   2.558   2.325
  411    HA   VAL  84           HA       VAL  84  -5.751   0.242   0.989
  412    HB   VAL  84           HB       VAL  84  -3.939   2.342   2.229
  413   1HG1  VAL  84          1HG1      VAL  84  -2.667   0.208   1.884
  414   2HG1  VAL  84          2HG1      VAL  84  -3.314   0.104   0.247
  415   3HG1  VAL  84          3HG1      VAL  84  -2.227   1.429   0.700
  416   1HG2  VAL  84          1HG2      VAL  84  -5.278   3.258   0.371
  417   2HG2  VAL  84          2HG2      VAL  84  -3.578   3.043  -0.100
  418   3HG2  VAL  84          3HG2      VAL  84  -4.814   1.891  -0.645
  419    H    ALA  85           H        ALA  85  -4.412   1.275   4.194
  420    HA   ALA  85           HA       ALA  85  -2.784  -0.964   4.568
  421   1HB   ALA  85          1HB       ALA  85  -2.688   1.132   5.848
  422   2HB   ALA  85          2HB       ALA  85  -4.179   0.675   6.712
  423   3HB   ALA  85          3HB       ALA  85  -2.712  -0.313   6.881
  424    H    ALA  86           H        ALA  86  -6.183  -0.500   5.715
  425    HA   ALA  86           HA       ALA  86  -6.412  -2.989   7.078
  426   1HB   ALA  86          1HB       ALA  86  -8.852  -2.662   6.753
  427   2HB   ALA  86          2HB       ALA  86  -8.049  -1.181   7.316
  428   3HB   ALA  86          3HB       ALA  86  -8.524  -1.340   5.613
  429    H    TRP  87           H        TRP  87  -7.449  -2.119   3.741
  430    HA   TRP  87           HA       TRP  87  -8.238  -4.697   2.885
  431   1HB   TRP  87          1HB       TRP  87  -8.866  -2.818   1.627
  432   2HB   TRP  87          2HB       TRP  87  -7.203  -2.209   1.623
  433    HD1  TRP  87           HD       TRP  87  -9.296  -4.720  -0.365
  434    HE1  TRP  87           1HE      TRP  87  -7.919  -5.504  -2.366
  435    HE3  TRP  87           3HE      TRP  87  -5.220  -1.782   0.341
  436    HZ2  TRP  87           2HZ      TRP  87  -5.013  -5.039  -3.286
  437    HZ3  TRP  87           3HZ      TRP  87  -3.355  -1.816  -1.238
  438    HH2  TRP  87           HH       TRP  87  -3.410  -3.337  -3.221
  439    H    LEU  88           H        LEU  88  -5.032  -3.139   2.822
  440    HA   LEU  88           HA       LEU  88  -3.844  -5.282   1.350
  441   1HB   LEU  88          1HB       LEU  88  -3.150  -2.702   1.730
  442   2HB   LEU  88          2HB       LEU  88  -2.080  -3.435   2.884
  443    HG   LEU  88           HG       LEU  88  -1.355  -2.903   0.474
  444   1HD1  LEU  88          1HD1      LEU  88  -0.206  -4.462   2.125
  445   2HD1  LEU  88          2HD1      LEU  88  -0.918  -5.802   1.165
  446   3HD1  LEU  88          3HD1      LEU  88   0.135  -4.594   0.370
  447   1HD2  LEU  88          1HD2      LEU  88  -1.923  -3.987  -1.363
  448   2HD2  LEU  88          2HD2      LEU  88  -2.052  -5.562  -0.601
  449   3HD2  LEU  88          3HD2      LEU  88  -3.404  -4.469  -0.486
  450    H    ALA  89           H        ALA  89  -4.005  -4.550   4.816
  451    HA   ALA  89           HA       ALA  89  -2.560  -6.838   5.736
  452   1HB   ALA  89          1HB       ALA  89  -3.154  -5.099   7.249
  453   2HB   ALA  89          2HB       ALA  89  -4.895  -5.381   6.999
  454   3HB   ALA  89          3HB       ALA  89  -3.892  -6.619   7.775
  455    H    GLU  90           H        GLU  90  -5.939  -6.404   4.635
  456    HA   GLU  90           HA       GLU  90  -6.661  -9.142   5.169
  457   1HB   GLU  90          1HB       GLU  90  -8.702  -8.330   4.965
  458   2HB   GLU  90          2HB       GLU  90  -8.003  -6.753   4.679
  459   1HG   GLU  90          1HG       GLU  90  -8.045  -7.395   2.148
  460   2HG   GLU  90          2HG       GLU  90  -9.034  -8.767   2.640
  461    H    LYS  91           H        LYS  91  -4.785  -7.799   2.636
  462    HA   LYS  91           HA       LYS  91  -5.890  -9.211   0.407
  463   1HB   LYS  91          1HB       LYS  91  -4.746  -7.000   0.568
  464   2HB   LYS  91          2HB       LYS  91  -3.192  -7.814   0.750
  465   1HG   LYS  91          1HG       LYS  91  -5.065  -8.017  -1.652
  466   2HG   LYS  91          2HG       LYS  91  -3.804  -6.800  -1.472
  467   1HD   LYS  91          1HD       LYS  91  -2.222  -8.199  -2.246
  468   2HD   LYS  91          2HD       LYS  91  -2.507  -9.228  -0.858
  469   1HE   LYS  91          1HE       LYS  91  -2.861 -10.717  -2.449
  470   2HE   LYS  91          2HE       LYS  91  -4.522 -10.185  -2.174
  471   1HZ   LYS  91          1HZ       LYS  91  -4.112 -10.173  -4.544
  472   2HZ   LYS  91          2HZ       LYS  91  -4.179  -8.589  -4.063
  473   3HZ   LYS  91          3HZ       LYS  91  -2.729  -9.317  -4.333
  474    H    LYS  92           H        LYS  92  -3.713 -10.064   2.840
  475    HA   LYS  92           HA       LYS  92  -1.600 -11.237   1.507
  476   1HB   LYS  92          1HB       LYS  92  -0.886 -11.833   3.654
  477   2HB   LYS  92          2HB       LYS  92  -1.480 -10.184   3.381
  478   1HG   LYS  92          1HG       LYS  92  -2.257 -10.711   5.587
  479   2HG   LYS  92          2HG       LYS  92  -3.653 -10.868   4.554
  480   1HD   LYS  92          1HD       LYS  92  -2.501 -13.454   4.642
  481   2HD   LYS  92          2HD       LYS  92  -2.430 -12.815   6.289
  482   1HE   LYS  92          1HE       LYS  92  -4.841 -12.261   6.227
  483   2HE   LYS  92          2HE       LYS  92  -4.943 -12.746   4.526
  484   1HZ   LYS  92          1HZ       LYS  92  -5.756 -14.444   5.943
  485   2HZ   LYS  92          2HZ       LYS  92  -4.423 -14.949   5.120
  486   3HZ   LYS  92          3HZ       LYS  92  -4.313 -14.569   6.731
  487    HHA  HEC  93           HHA      HEC  93   8.573  -0.099   0.346
  488    HHB  HEC  93           HHB      HEC  93   2.160   0.069   0.729
  489    HHC  HEC  93           HHC      HEC  93   2.207   4.353  -4.065
  490    HHD  HEC  93           HHD      HEC  93   8.453   3.320  -4.998
  491   1HMA  HEC  93          1HMA      HEC  93   4.592  -1.972   3.101
  492   2HMA  HEC  93          2HMA      HEC  93   3.464  -0.605   3.135
  493   3HMA  HEC  93          3HMA      HEC  93   3.224  -1.944   1.982
  494   1HAA  HEC  93          1HAA      HEC  93   6.822  -1.693   3.109
  495   2HAA  HEC  93          2HAA      HEC  93   7.919  -0.501   2.525
  496   1HBA  HEC  93          1HBA      HEC  93   7.930  -2.088   0.417
  497   2HBA  HEC  93          2HBA      HEC  93   7.310  -3.296   1.538
  498   1HMB  HEC  93          1HMB      HEC  93  -0.913   1.242  -1.038
  499   2HMB  HEC  93          2HMB      HEC  93   0.152  -0.153  -1.024
  500   3HMB  HEC  93          3HMB      HEC  93   0.016   0.860   0.419
  501    HAB  HEC  93           HAB      HEC  93   0.244   4.072  -3.487
  502   1HBB  HEC  93          1HBB      HEC  93  -0.500   4.891  -1.351
  503   2HBB  HEC  93          2HBB      HEC  93  -1.876   4.330  -2.317
  504   3HBB  HEC  93          3HBB      HEC  93  -1.281   3.358  -0.961
  505   1HMC  HEC  93          1HMC      HEC  93   3.021   6.019  -5.547
  506   2HMC  HEC  93          2HMC      HEC  93   4.170   5.935  -6.880
  507   3HMC  HEC  93          3HMC      HEC  93   3.037   4.611  -6.629
  508    HAC  HEC  93           HAC      HEC  93   7.817   4.564  -6.541
  509   1HBC  HEC  93          1HBC      HEC  93   6.021   6.997  -6.459
  510   2HBC  HEC  93          2HBC      HEC  93   7.616   6.755  -5.733
  511   3HBC  HEC  93          3HBC      HEC  93   7.452   6.801  -7.491
  512   1HMD  HEC  93          1HMD      HEC  93  11.155   2.757  -3.946
  513   2HMD  HEC  93          2HMD      HEC  93  11.195   0.978  -4.079
  514   3HMD  HEC  93          3HMD      HEC  93  10.109   1.899  -5.101
  515   1HAD  HEC  93          1HAD      HEC  93  10.887  -0.502  -1.314
  516   2HAD  HEC  93          2HAD      HEC  93  10.472   0.462  -0.045
  517   1HBD  HEC  93          1HBD      HEC  93  12.624   0.966  -0.140
  518   2HBD  HEC  93          2HBD      HEC  93  11.727   2.399  -0.627
  Start of MODEL   26
    1   1H    VAL  22          1H        VAL  22 -14.722   4.411  -0.309
    2   2H    VAL  22          2H        VAL  22 -13.875   4.476   1.106
    3   3H    VAL  22          3H        VAL  22 -14.395   5.882   0.383
    4    HA   VAL  22           HA       VAL  22 -13.000   5.411  -1.508
    5    HB   VAL  22           HB       VAL  22 -11.550   5.500   1.173
    6   1HG1  VAL  22          1HG1      VAL  22  -9.683   6.448  -0.237
    7   2HG1  VAL  22          2HG1      VAL  22  -9.958   4.724  -0.490
    8   3HG1  VAL  22          3HG1      VAL  22 -10.545   5.909  -1.682
    9   1HG2  VAL  22          1HG2      VAL  22 -11.333   7.910   0.626
   10   2HG2  VAL  22          2HG2      VAL  22 -12.292   7.674  -0.844
   11   3HG2  VAL  22          3HG2      VAL  22 -13.036   7.455   0.756
   12    H    ASP  23           H        ASP  23 -13.014   3.586  -2.618
   13    HA   ASP  23           HA       ASP  23 -12.909   1.033  -1.553
   14   1HB   ASP  23          1HB       ASP  23 -12.561   1.980  -4.421
   15   2HB   ASP  23          2HB       ASP  23 -13.119   0.387  -3.892
   16    H    ALA  24           H        ALA  24 -11.101   0.486  -0.494
   17    HA   ALA  24           HA       ALA  24  -8.600   1.338  -0.634
   18   1HB   ALA  24          1HB       ALA  24  -7.869  -0.713   0.387
   19   2HB   ALA  24          2HB       ALA  24  -9.434  -0.212   1.058
   20   3HB   ALA  24          3HB       ALA  24  -9.373  -1.531  -0.128
   21    H    GLU  25           H        GLU  25  -9.626  -1.572  -2.533
   22    HA   GLU  25           HA       GLU  25  -7.051  -1.826  -3.717
   23   1HB   GLU  25          1HB       GLU  25  -7.830  -3.576  -4.930
   24   2HB   GLU  25          2HB       GLU  25  -8.951  -3.572  -3.566
   25   1HG   GLU  25          1HG       GLU  25 -10.599  -2.363  -4.982
   26   2HG   GLU  25          2HG       GLU  25  -9.454  -2.483  -6.374
   27    H    ALA  26           H        ALA  26  -9.932   0.104  -4.693
   28    HA   ALA  26           HA       ALA  26  -9.063   0.670  -7.345
   29   1HB   ALA  26          1HB       ALA  26 -11.348   1.186  -6.446
   30   2HB   ALA  26          2HB       ALA  26 -10.635   2.551  -5.546
   31   3HB   ALA  26          3HB       ALA  26 -10.575   2.529  -7.310
   32    H    VAL  27           H        VAL  27  -8.399   2.268  -4.214
   33    HA   VAL  27           HA       VAL  27  -6.630   4.320  -5.174
   34    HB   VAL  27           HB       VAL  27  -6.375   2.737  -2.569
   35   1HG1  VAL  27          1HG1      VAL  27  -5.432   5.533  -3.258
   36   2HG1  VAL  27          2HG1      VAL  27  -5.239   4.696  -1.709
   37   3HG1  VAL  27          3HG1      VAL  27  -4.380   4.104  -3.134
   38   1HG2  VAL  27          1HG2      VAL  27  -7.933   5.301  -3.095
   39   2HG2  VAL  27          2HG2      VAL  27  -8.654   3.718  -2.742
   40   3HG2  VAL  27          3HG2      VAL  27  -7.676   4.520  -1.520
   41    H    VAL  28           H        VAL  28  -5.825   0.948  -4.039
   42    HA   VAL  28           HA       VAL  28  -3.123   1.380  -5.013
   43    HB   VAL  28           HB       VAL  28  -4.452  -0.964  -3.777
   44   1HG1  VAL  28          1HG1      VAL  28  -2.156  -1.596  -2.883
   45   2HG1  VAL  28          2HG1      VAL  28  -2.295  -1.705  -4.622
   46   3HG1  VAL  28          3HG1      VAL  28  -1.458  -0.336  -3.877
   47   1HG2  VAL  28          1HG2      VAL  28  -4.686   0.458  -2.053
   48   2HG2  VAL  28          2HG2      VAL  28  -2.942   0.249  -1.782
   49   3HG2  VAL  28          3HG2      VAL  28  -3.512   1.640  -2.683
   50    H    GLN  29           H        GLN  29  -5.775   0.615  -6.694
   51    HA   GLN  29           HA       GLN  29  -4.200  -0.720  -8.829
   52   1HB   GLN  29          1HB       GLN  29  -7.159  -0.429  -8.275
   53   2HB   GLN  29          2HB       GLN  29  -6.568  -1.129  -9.756
   54   1HG   GLN  29          1HG       GLN  29  -5.964  -2.242  -6.978
   55   2HG   GLN  29          2HG       GLN  29  -7.122  -2.868  -8.145
   56   1HE2  GLN  29          1HE2      GLN  29  -3.589  -2.361  -7.516
   57   2HE2  GLN  29          2HE2      GLN  29  -3.098  -3.637  -8.625
   58    H    GLN  30           H        GLN  30  -4.674   2.357  -7.791
   59    HA   GLN  30           HA       GLN  30  -4.072   3.251 -10.581
   60   1HB   GLN  30          1HB       GLN  30  -6.358   3.971  -9.278
   61   2HB   GLN  30          2HB       GLN  30  -5.271   5.230  -8.687
   62   1HG   GLN  30          1HG       GLN  30  -4.573   5.640 -11.109
   63   2HG   GLN  30          2HG       GLN  30  -5.851   4.517 -11.600
   64   1HE2  GLN  30          1HE2      GLN  30  -7.977   5.206  -9.931
   65   2HE2  GLN  30          2HE2      GLN  30  -8.431   6.870 -10.265
   66    H    LYS  31           H        LYS  31  -3.439   3.761  -7.122
   67    HA   LYS  31           HA       LYS  31  -1.679   6.043  -7.713
   68   1HB   LYS  31          1HB       LYS  31  -3.606   5.300  -5.670
   69   2HB   LYS  31          2HB       LYS  31  -2.066   5.573  -4.893
   70   1HG   LYS  31          1HG       LYS  31  -1.942   7.808  -5.977
   71   2HG   LYS  31          2HG       LYS  31  -3.490   7.488  -6.797
   72   1HD   LYS  31          1HD       LYS  31  -4.626   7.251  -4.607
   73   2HD   LYS  31          2HD       LYS  31  -3.086   7.499  -3.771
   74   1HE   LYS  31          1HE       LYS  31  -2.982   9.796  -4.938
   75   2HE   LYS  31          2HE       LYS  31  -4.663   9.506  -5.436
   76   1HZ   LYS  31          1HZ       LYS  31  -5.197   9.261  -3.072
   77   2HZ   LYS  31          2HZ       LYS  31  -3.631   9.607  -2.677
   78   3HZ   LYS  31          3HZ       LYS  31  -4.592  10.743  -3.394
   79    H    CYS  32           H        CYS  32  -1.363   2.742  -6.972
   80    HA   CYS  32           HA       CYS  32   1.371   3.068  -5.823
   81   1HB   CYS  32          1HB       CYS  32  -0.492   0.743  -5.510
   82   2HB   CYS  32          2HB       CYS  32   0.903   1.118  -4.502
   83    H    ILE  33           H        ILE  33  -0.647   1.243  -8.076
   84    HA   ILE  33           HA       ILE  33   1.140  -0.710  -8.893
   85    HB   ILE  33           HB       ILE  33  -0.053  -0.754 -11.036
   86   1HG1  ILE  33          1HG1      ILE  33  -1.713   1.617 -10.069
   87   2HG1  ILE  33          2HG1      ILE  33  -0.410   1.783 -11.249
   88   1HG2  ILE  33          1HG2      ILE  33  -0.959  -1.763  -8.879
   89   2HG2  ILE  33          2HG2      ILE  33  -1.963  -0.306  -8.751
   90   3HG2  ILE  33          3HG2      ILE  33  -2.196  -1.426 -10.097
   91   1HD1  ILE  33          1HD1      ILE  33  -2.554   1.604 -12.376
   92   2HD1  ILE  33          2HD1      ILE  33  -1.498   0.238 -12.784
   93   3HD1  ILE  33          3HD1      ILE  33  -2.846   0.016 -11.655
   94    H    SER  34           H        SER  34   1.166   2.704  -9.697
   95    HA   SER  34           HA       SER  34   2.743   3.077 -11.823
   96   1HB   SER  34          1HB       SER  34   3.286   4.443  -9.176
   97   2HB   SER  34          2HB       SER  34   3.216   5.163 -10.793
   98    HG   SER  34           HG       SER  34   0.935   4.775 -10.740
   99    H    CYS  35           H        CYS  35   3.870   1.961  -8.596
  100    HA   CYS  35           HA       CYS  35   6.590   1.494  -9.773
  101   1HB   CYS  35          1HB       CYS  35   6.142   2.176  -6.871
  102   2HB   CYS  35          2HB       CYS  35   7.636   2.179  -7.788
  103    H    HIS  36           H        HIS  36   4.061   0.327  -7.481
  104    HA   HIS  36           HA       HIS  36   5.606  -2.105  -6.961
  105   1HB   HIS  36          1HB       HIS  36   2.813  -1.267  -6.161
  106   2HB   HIS  36          2HB       HIS  36   3.598  -2.776  -5.685
  107    HD1  HIS  36           1HD      HIS  36   5.800  -2.583  -4.051
  108    HD2  HIS  36           2HD      HIS  36   3.609   0.955  -4.834
  109    HE1  HIS  36           1HE      HIS  36   6.464  -0.872  -2.280
  110    H    GLY  37           H        GLY  37   3.657  -1.169  -9.632
  111   1HA   GLY  37          1HA       GLY  37   3.299  -2.434 -11.513
  112   2HA   GLY  37          2HA       GLY  37   3.755  -3.921 -10.668
  113    H    GLY  38           H        GLY  38   1.465  -3.649 -12.353
  114   1HA   GLY  38          1HA       GLY  38  -0.991  -2.965 -11.421
  115   2HA   GLY  38          2HA       GLY  38  -0.702  -4.405 -12.401
  116    H    ASP  39           H        ASP  39   0.266  -6.312 -11.041
  117    HA   ASP  39           HA       ASP  39  -1.686  -7.075  -9.144
  118   1HB   ASP  39          1HB       ASP  39   0.961  -8.403  -9.820
  119   2HB   ASP  39          2HB       ASP  39  -0.484  -9.183  -9.159
  120    H    LEU  40           H        LEU  40   0.948  -5.065  -8.583
  121    HA   LEU  40           HA       LEU  40   2.043  -4.330  -6.780
  122   1HB   LEU  40          1HB       LEU  40   0.172  -5.994  -5.085
  123   2HB   LEU  40          2HB       LEU  40   1.102  -4.588  -4.596
  124    HG   LEU  40           HG       LEU  40  -0.937  -4.363  -6.862
  125   1HD1  LEU  40          1HD1      LEU  40  -2.645  -3.768  -5.340
  126   2HD1  LEU  40          2HD1      LEU  40  -2.072  -5.386  -4.949
  127   3HD1  LEU  40          3HD1      LEU  40  -1.568  -4.016  -3.932
  128   1HD2  LEU  40          1HD2      LEU  40   0.105  -2.302  -4.899
  129   2HD2  LEU  40          2HD2      LEU  40   0.759  -2.549  -6.528
  130   3HD2  LEU  40          3HD2      LEU  40  -0.904  -2.041  -6.337
  131    H    THR  41           H        THR  41   2.718  -6.888  -8.171
  132    HA   THR  41           HA       THR  41   4.130  -8.573  -6.313
  133    HB   THR  41           HB       THR  41   4.831  -9.475  -8.685
  134    HG1  THR  41           1HG      THR  41   3.324  -8.674 -10.282
  135   1HG2  THR  41          1HG2      THR  41   2.574 -10.505  -8.986
  136   2HG2  THR  41          2HG2      THR  41   3.106 -10.555  -7.296
  137   3HG2  THR  41          3HG2      THR  41   1.900  -9.362  -7.806
  138    H    GLY  42           H        GLY  42   4.839  -5.494  -7.602
  139   1HA   GLY  42          1HA       GLY  42   6.663  -4.342  -6.833
  140   2HA   GLY  42          2HA       GLY  42   7.597  -5.826  -6.626
  141    H    ALA  43           H        ALA  43   6.990  -3.163  -8.756
  142    HA   ALA  43           HA       ALA  43   8.512  -4.477 -10.980
  143   1HB   ALA  43          1HB       ALA  43   7.675  -2.643 -12.369
  144   2HB   ALA  43          2HB       ALA  43   6.364  -3.604 -11.660
  145   3HB   ALA  43          3HB       ALA  43   6.740  -2.005 -11.003
  146    H    SER  44           H        SER  44   8.220  -1.165  -9.677
  147    HA   SER  44           HA       SER  44  11.181  -0.803  -9.822
  148   1HB   SER  44          1HB       SER  44   9.734   0.807 -11.095
  149   2HB   SER  44          2HB       SER  44   8.990   1.287  -9.555
  150    HG   SER  44           HG       SER  44  11.220   1.708  -8.855
  151    H    ALA  45           H        ALA  45   9.038  -1.942  -7.654
  152    HA   ALA  45           HA       ALA  45  10.324  -0.846  -5.249
  153   1HB   ALA  45          1HB       ALA  45   8.091  -0.361  -4.291
  154   2HB   ALA  45          2HB       ALA  45   8.314   0.597  -5.759
  155   3HB   ALA  45          3HB       ALA  45   7.315  -0.861  -5.806
  156    HA   PRO  46           HA       PRO  46   9.901  -5.172  -4.389
  157   1HB   PRO  46          1HB       PRO  46   9.279  -5.379  -1.708
  158   2HB   PRO  46          2HB       PRO  46  10.881  -4.874  -2.316
  159   1HG   PRO  46          1HG       PRO  46   8.587  -3.097  -1.458
  160   2HG   PRO  46          2HG       PRO  46  10.293  -3.004  -0.924
  161   1HD   PRO  46          1HD       PRO  46   9.371  -1.413  -2.900
  162   2HD   PRO  46          2HD       PRO  46  10.983  -2.161  -3.069
  163    H    ALA  47           H        ALA  47   8.402  -6.885  -3.797
  164    HA   ALA  47           HA       ALA  47   5.741  -6.448  -4.723
  165   1HB   ALA  47          1HB       ALA  47   6.864  -8.794  -3.108
  166   2HB   ALA  47          2HB       ALA  47   5.389  -8.790  -4.095
  167   3HB   ALA  47          3HB       ALA  47   6.987  -8.650  -4.863
  168    H    ILE  48           H        ILE  48   4.202  -5.410  -3.568
  169    HA   ILE  48           HA       ILE  48   4.168  -5.841  -0.610
  170    HB   ILE  48           HB       ILE  48   3.100  -3.760  -0.201
  171   1HG1  ILE  48          1HG1      ILE  48   3.259  -1.935  -1.935
  172   2HG1  ILE  48          2HG1      ILE  48   3.375  -3.202  -3.155
  173   1HG2  ILE  48          1HG2      ILE  48   5.579  -4.024  -0.192
  174   2HG2  ILE  48          2HG2      ILE  48   5.610  -3.412  -1.859
  175   3HG2  ILE  48          3HG2      ILE  48   5.053  -2.368  -0.540
  176   1HD1  ILE  48          1HD1      ILE  48   1.054  -2.264  -2.803
  177   2HD1  ILE  48          2HD1      ILE  48   1.081  -3.995  -2.420
  178   3HD1  ILE  48          3HD1      ILE  48   1.106  -2.793  -1.117
  179    H    ASP  49           H        ASP  49   2.771  -6.900  -3.409
  180    HA   ASP  49           HA       ASP  49   0.141  -7.228  -2.808
  181   1HB   ASP  49          1HB       ASP  49   0.428  -8.384  -4.704
  182   2HB   ASP  49          2HB       ASP  49   2.137  -8.608  -4.403
  183    H    LYS  50           H        LYS  50   2.813  -8.934  -1.224
  184    HA   LYS  50           HA       LYS  50   0.918 -10.287   0.639
  185   1HB   LYS  50          1HB       LYS  50   3.555 -11.074  -0.466
  186   2HB   LYS  50          2HB       LYS  50   3.382 -11.325   1.267
  187   1HG   LYS  50          1HG       LYS  50   2.651 -13.330   0.230
  188   2HG   LYS  50          2HG       LYS  50   1.215 -12.532   0.884
  189   1HD   LYS  50          1HD       LYS  50   0.909 -11.518  -1.468
  190   2HD   LYS  50          2HD       LYS  50   2.219 -12.566  -2.000
  191   1HE   LYS  50          1HE       LYS  50   0.231 -13.621  -2.655
  192   2HE   LYS  50          2HE       LYS  50   0.765 -14.541  -1.233
  193   1HZ   LYS  50          1HZ       LYS  50  -0.857 -13.306   0.065
  194   2HZ   LYS  50          2HZ       LYS  50  -1.270 -12.389  -1.231
  195   3HZ   LYS  50          3HZ       LYS  50  -1.613 -13.997  -1.195
  196    H    ALA  51           H        ALA  51   2.156  -7.346   0.572
  197    HA   ALA  51           HA       ALA  51   3.723  -7.066   2.866
  198   1HB   ALA  51          1HB       ALA  51   1.769  -5.126   1.623
  199   2HB   ALA  51          2HB       ALA  51   2.842  -4.727   2.965
  200   3HB   ALA  51          3HB       ALA  51   3.535  -5.244   1.423
  201    H    GLY  52           H        GLY  52   0.023  -7.341   2.744
  202   1HA   GLY  52          1HA       GLY  52  -0.346  -6.798   5.471
  203   2HA   GLY  52          2HA       GLY  52  -1.296  -7.864   4.434
  204    H    ALA  53           H        ALA  53   0.910  -9.777   3.904
  205    HA   ALA  53           HA       ALA  53   0.796 -11.351   6.397
  206   1HB   ALA  53          1HB       ALA  53   0.720 -12.526   4.221
  207   2HB   ALA  53          2HB       ALA  53   2.317 -11.867   3.801
  208   3HB   ALA  53          3HB       ALA  53   2.144 -12.981   5.161
  209    H    ASN  54           H        ASN  54   3.184  -9.485   4.558
  210    HA   ASN  54           HA       ASN  54   5.401 -10.294   6.211
  211   1HB   ASN  54          1HB       ASN  54   5.177  -7.846   4.432
  212   2HB   ASN  54          2HB       ASN  54   6.667  -8.570   5.043
  213   1HD2  ASN  54          1HD2      ASN  54   6.232  -8.119   2.279
  214   2HD2  ASN  54          2HD2      ASN  54   6.110  -9.686   1.500
  215    H    TYR  55           H        TYR  55   3.114  -7.589   6.372
  216    HA   TYR  55           HA       TYR  55   4.355  -6.532   8.851
  217   1HB   TYR  55          1HB       TYR  55   3.442  -4.683   6.651
  218   2HB   TYR  55          2HB       TYR  55   4.510  -4.346   8.008
  219    HD1  TYR  55           1HD      TYR  55   4.433  -4.594   4.564
  220    HD2  TYR  55           2HD      TYR  55   6.791  -5.892   7.925
  221    HE1  TYR  55           1HE      TYR  55   6.370  -4.957   3.057
  222    HE2  TYR  55           2HE      TYR  55   8.703  -6.333   6.399
  223    HH   TYR  55           HH       TYR  55   8.870  -5.191   3.184
  224    H    SER  56           H        SER  56   2.811  -5.232  10.076
  225    HA   SER  56           HA       SER  56   0.061  -6.214   9.738
  226   1HB   SER  56          1HB       SER  56   1.282  -6.045  11.961
  227   2HB   SER  56          2HB       SER  56   1.155  -4.287  11.820
  228    HG   SER  56           HG       SER  56  -0.911  -6.220  12.060
  229    H    GLU  57           H        GLU  57  -1.771  -4.610  10.010
  230    HA   GLU  57           HA       GLU  57  -1.783  -2.831   7.798
  231   1HB   GLU  57          1HB       GLU  57  -3.905  -1.926   8.740
  232   2HB   GLU  57          2HB       GLU  57  -3.924  -3.650   8.476
  233   1HG   GLU  57          1HG       GLU  57  -3.682  -4.092  10.865
  234   2HG   GLU  57          2HG       GLU  57  -3.444  -2.365  11.200
  235    H    GLU  58           H        GLU  58  -1.273  -2.172  11.294
  236    HA   GLU  58           HA       GLU  58  -1.062   0.614  11.136
  237   1HB   GLU  58          1HB       GLU  58   0.365   0.403  13.193
  238   2HB   GLU  58          2HB       GLU  58  -1.220  -0.371  13.262
  239   1HG   GLU  58          1HG       GLU  58  -0.206  -2.593  12.940
  240   2HG   GLU  58          2HG       GLU  58   1.400  -1.847  12.775
  241    H    GLU  59           H        GLU  59   1.508  -1.809  10.521
  242    HA   GLU  59           HA       GLU  59   3.652   0.068  10.231
  243   1HB   GLU  59          1HB       GLU  59   3.225  -2.720   9.062
  244   2HB   GLU  59          2HB       GLU  59   4.757  -1.851   9.040
  245   1HG   GLU  59          1HG       GLU  59   4.812  -1.810  11.502
  246   2HG   GLU  59          2HG       GLU  59   3.264  -2.665  11.572
  247    H    ILE  60           H        ILE  60   1.443  -1.479   7.913
  248    HA   ILE  60           HA       ILE  60   2.652  -0.336   5.553
  249    HB   ILE  60           HB       ILE  60  -0.181  -1.325   5.933
  250   1HG1  ILE  60          1HG1      ILE  60   2.270  -2.871   4.956
  251   2HG1  ILE  60          2HG1      ILE  60   1.552  -3.052   6.550
  252   1HG2  ILE  60          1HG2      ILE  60   1.256  -1.594   3.312
  253   2HG2  ILE  60          2HG2      ILE  60  -0.463  -1.355   3.648
  254   3HG2  ILE  60          3HG2      ILE  60   0.670   0.004   3.751
  255   1HD1  ILE  60          1HD1      ILE  60  -0.602  -3.751   5.514
  256   2HD1  ILE  60          2HD1      ILE  60   0.214  -3.746   3.928
  257   3HD1  ILE  60          3HD1      ILE  60   0.770  -4.831   5.213
  258    H    LEU  61           H        LEU  61  -0.171   0.516   7.552
  259    HA   LEU  61           HA       LEU  61  -1.120   2.809   6.312
  260   1HB   LEU  61          1HB       LEU  61  -2.088   1.632   8.292
  261   2HB   LEU  61          2HB       LEU  61  -0.809   2.254   9.301
  262    HG   LEU  61           HG       LEU  61  -1.559   4.586   8.818
  263   1HD1  LEU  61          1HD1      LEU  61  -3.895   3.122   7.533
  264   2HD1  LEU  61          2HD1      LEU  61  -3.899   4.854   7.942
  265   3HD1  LEU  61          3HD1      LEU  61  -2.779   4.233   6.721
  266   1HD2  LEU  61          1HD2      LEU  61  -3.503   4.475  10.325
  267   2HD2  LEU  61          2HD2      LEU  61  -3.610   2.720  10.068
  268   3HD2  LEU  61          3HD2      LEU  61  -2.192   3.419  10.881
  269    H    ASP  62           H        ASP  62   1.377   2.568   8.917
  270    HA   ASP  62           HA       ASP  62   1.943   5.352   8.966
  271   1HB   ASP  62          1HB       ASP  62   2.732   3.802  10.719
  272   2HB   ASP  62          2HB       ASP  62   3.862   3.065   9.569
  273    H    ILE  63           H        ILE  63   3.384   2.681   7.082
  274    HA   ILE  63           HA       ILE  63   5.450   4.281   5.883
  275    HB   ILE  63           HB       ILE  63   4.126   1.628   5.283
  276   1HG1  ILE  63          1HG1      ILE  63   7.045   2.323   5.782
  277   2HG1  ILE  63          2HG1      ILE  63   5.887   2.047   7.089
  278   1HG2  ILE  63          1HG2      ILE  63   5.816   1.295   3.454
  279   2HG2  ILE  63          2HG2      ILE  63   4.474   2.356   3.054
  280   3HG2  ILE  63          3HG2      ILE  63   6.081   3.044   3.438
  281   1HD1  ILE  63          1HD1      ILE  63   5.397  -0.226   6.168
  282   2HD1  ILE  63          2HD1      ILE  63   6.709   0.006   4.991
  283   3HD1  ILE  63          3HD1      ILE  63   7.067  -0.004   6.718
  284    H    ILE  64           H        ILE  64   2.131   3.534   4.793
  285    HA   ILE  64           HA       ILE  64   2.280   4.904   2.286
  286    HB   ILE  64           HB       ILE  64  -0.025   4.311   4.183
  287   1HG1  ILE  64          1HG1      ILE  64   0.588   3.031   1.505
  288   2HG1  ILE  64          2HG1      ILE  64   1.368   2.434   2.969
  289   1HG2  ILE  64          1HG2      ILE  64  -0.085   5.388   1.332
  290   2HG2  ILE  64          2HG2      ILE  64  -1.487   4.733   2.202
  291   3HG2  ILE  64          3HG2      ILE  64  -0.707   6.194   2.790
  292   1HD1  ILE  64          1HD1      ILE  64  -1.654   2.629   2.626
  293   2HD1  ILE  64          2HD1      ILE  64  -0.670   1.167   2.479
  294   3HD1  ILE  64          3HD1      ILE  64  -0.797   2.003   4.037
  295    H    LEU  65           H        LEU  65   1.208   5.971   5.545
  296    HA   LEU  65           HA       LEU  65   0.593   8.644   4.769
  297   1HB   LEU  65          1HB       LEU  65   1.411   7.462   7.437
  298   2HB   LEU  65          2HB       LEU  65   0.782   9.096   7.226
  299    HG   LEU  65           HG       LEU  65  -0.897   6.657   6.427
  300   1HD1  LEU  65          1HD1      LEU  65  -1.970   6.918   8.649
  301   2HD1  LEU  65          2HD1      LEU  65  -0.254   6.504   8.854
  302   3HD1  LEU  65          3HD1      LEU  65  -0.798   8.174   9.089
  303   1HD2  LEU  65          1HD2      LEU  65  -1.531   8.746   5.505
  304   2HD2  LEU  65          2HD2      LEU  65  -2.729   8.205   6.698
  305   3HD2  LEU  65          3HD2      LEU  65  -1.607   9.513   7.124
  306    H    ASN  66           H        ASN  66   3.614   7.121   5.758
  307    HA   ASN  66           HA       ASN  66   5.030   9.687   6.129
  308   1HB   ASN  66          1HB       ASN  66   5.640   6.797   6.875
  309   2HB   ASN  66          2HB       ASN  66   6.836   8.050   6.973
  310   1HD2  ASN  66          1HD2      ASN  66   3.637   7.178   8.111
  311   2HD2  ASN  66          2HD2      ASN  66   3.980   7.557   9.755
  312    H    GLY  67           H        GLY  67   5.832   6.502   4.587
  313   1HA   GLY  67          1HA       GLY  67   6.830   6.858   2.236
  314   2HA   GLY  67          2HA       GLY  67   8.059   7.784   3.117
  315    H    GLN  68           H        GLN  68   9.228   5.969   1.920
  316    HA   GLN  68           HA       GLN  68  10.469   4.285   3.852
  317   1HB   GLN  68          1HB       GLN  68   8.769   2.482   3.153
  318   2HB   GLN  68          2HB       GLN  68   9.035   2.915   1.509
  319   1HG   GLN  68          1HG       GLN  68   9.968   0.855   2.033
  320   2HG   GLN  68          2HG       GLN  68  11.216   1.969   1.482
  321   1HE2  GLN  68          1HE2      GLN  68  10.800  -0.564   3.412
  322   2HE2  GLN  68          2HE2      GLN  68  11.934  -0.139   4.691
  323    H    GLY  69           H        GLY  69  12.527   3.436   2.631
  324   1HA   GLY  69          1HA       GLY  69  14.335   4.853   1.670
  325   2HA   GLY  69          2HA       GLY  69  13.932   3.457   0.670
  326    H    GLY  70           H        GLY  70  13.034   3.819  -1.479
  327   1HA   GLY  70          1HA       GLY  70  12.825   6.649  -2.400
  328   2HA   GLY  70          2HA       GLY  70  13.021   5.188  -3.374
  329    H    MET  71           H        MET  71  10.752   5.766  -0.686
  330    HA   MET  71           HA       MET  71   8.413   5.223  -2.472
  331   1HB   MET  71          1HB       MET  71   8.933   3.474  -0.912
  332   2HB   MET  71          2HB       MET  71   9.112   4.619   0.341
  333   1HG   MET  71          1HG       MET  71   7.049   3.316   0.677
  334   2HG   MET  71          2HG       MET  71   6.935   5.065   0.655
  335   1HE   MET  71          1HE       MET  71   3.403   4.385  -0.378
  336   2HE   MET  71          2HE       MET  71   4.364   3.491   0.818
  337   3HE   MET  71          3HE       MET  71   4.500   5.260   0.707
  338    HA   PRO  72           HA       PRO  72   8.504   9.566  -1.513
  339   1HB   PRO  72          1HB       PRO  72   6.145  10.431  -2.714
  340   2HB   PRO  72          2HB       PRO  72   7.655  10.035  -3.583
  341   1HG   PRO  72          1HG       PRO  72   5.287   8.215  -3.084
  342   2HG   PRO  72          2HG       PRO  72   6.116   8.522  -4.642
  343   1HD   PRO  72          1HD       PRO  72   6.676   6.352  -3.185
  344   2HD   PRO  72          2HD       PRO  72   8.049   7.265  -3.891
  345    H    GLY  73           H        GLY  73   5.544   7.777  -0.755
  346   1HA   GLY  73          1HA       GLY  73   4.389   7.723   1.248
  347   2HA   GLY  73          2HA       GLY  73   5.500   8.928   1.908
  348    H    GLY  74           H        GLY  74   2.754   8.936   2.353
  349   1HA   GLY  74          1HA       GLY  74   1.020  10.408   2.498
  350   2HA   GLY  74          2HA       GLY  74   2.038  11.662   1.748
  351    H    ILE  75           H        ILE  75   1.751   8.762  -0.093
  352    HA   ILE  75           HA       ILE  75   0.351   9.948  -2.279
  353    HB   ILE  75           HB       ILE  75   0.835   7.047  -1.471
  354   1HG1  ILE  75          1HG1      ILE  75   2.939   8.236  -1.851
  355   2HG1  ILE  75          2HG1      ILE  75   2.632   7.043  -3.108
  356   1HG2  ILE  75          1HG2      ILE  75  -0.300   8.191  -4.040
  357   2HG2  ILE  75          2HG2      ILE  75   0.477   6.599  -3.958
  358   3HG2  ILE  75          3HG2      ILE  75  -0.962   6.927  -2.989
  359   1HD1  ILE  75          1HD1      ILE  75   1.780   8.927  -4.595
  360   2HD1  ILE  75          2HD1      ILE  75   2.333  10.067  -3.343
  361   3HD1  ILE  75          3HD1      ILE  75   3.486   9.023  -4.176
  362    H    ALA  76           H        ALA  76  -0.697   8.300   0.661
  363    HA   ALA  76           HA       ALA  76  -3.501   8.958   0.043
  364   1HB   ALA  76          1HB       ALA  76  -2.400   6.258   0.928
  365   2HB   ALA  76          2HB       ALA  76  -4.099   6.699   1.067
  366   3HB   ALA  76          3HB       ALA  76  -3.327   6.588  -0.531
  367    H    LYS  77           H        LYS  77  -4.508   9.718   1.934
  368    HA   LYS  77           HA       LYS  77  -3.107   9.610   4.500
  369   1HB   LYS  77          1HB       LYS  77  -3.784  12.092   2.913
  370   2HB   LYS  77          2HB       LYS  77  -3.775  12.141   4.665
  371   1HG   LYS  77          1HG       LYS  77  -1.324  11.218   3.095
  372   2HG   LYS  77          2HG       LYS  77  -1.697  12.921   3.365
  373   1HD   LYS  77          1HD       LYS  77  -1.893  12.212   5.905
  374   2HD   LYS  77          2HD       LYS  77  -0.893  10.850   5.414
  375   1HE   LYS  77          1HE       LYS  77  -0.166  13.784   5.006
  376   2HE   LYS  77          2HE       LYS  77   0.322  12.823   6.400
  377   1HZ   LYS  77          1HZ       LYS  77   1.086  12.220   3.631
  378   2HZ   LYS  77          2HZ       LYS  77   2.040  12.931   4.754
  379   3HZ   LYS  77          3HZ       LYS  77   1.592  11.383   4.952
  380    H    GLY  78           H        GLY  78  -4.568   9.958   6.252
  381   1HA   GLY  78          1HA       GLY  78  -6.530   9.554   7.337
  382   2HA   GLY  78          2HA       GLY  78  -7.304  10.522   6.071
  383    H    ALA  79           H        ALA  79  -9.111   9.292   5.800
  384    HA   ALA  79           HA       ALA  79  -9.721   6.710   5.785
  385   1HB   ALA  79          1HB       ALA  79 -11.436   7.163   4.088
  386   2HB   ALA  79          2HB       ALA  79 -11.317   8.486   5.263
  387   3HB   ALA  79          3HB       ALA  79 -10.613   8.670   3.638
  388    H    GLU  80           H        GLU  80  -8.001   8.286   3.098
  389    HA   GLU  80           HA       GLU  80  -8.084   6.139   1.256
  390   1HB   GLU  80          1HB       GLU  80  -7.426   8.654   1.007
  391   2HB   GLU  80          2HB       GLU  80  -5.828   8.148   1.514
  392   1HG   GLU  80          1HG       GLU  80  -5.385   7.588  -0.634
  393   2HG   GLU  80          2HG       GLU  80  -6.639   6.352  -0.582
  394    H    ALA  81           H        ALA  81  -5.573   6.998   3.756
  395    HA   ALA  81           HA       ALA  81  -3.910   4.731   3.051
  396   1HB   ALA  81          1HB       ALA  81  -3.066   6.902   3.985
  397   2HB   ALA  81          2HB       ALA  81  -3.852   6.493   5.525
  398   3HB   ALA  81          3HB       ALA  81  -2.538   5.475   4.880
  399    H    GLU  82           H        GLU  82  -6.320   5.540   5.572
  400    HA   GLU  82           HA       GLU  82  -6.102   3.264   7.236
  401   1HB   GLU  82          1HB       GLU  82  -8.540   4.874   6.410
  402   2HB   GLU  82          2HB       GLU  82  -8.498   3.756   7.767
  403   1HG   GLU  82          1HG       GLU  82  -7.035   5.119   9.026
  404   2HG   GLU  82          2HG       GLU  82  -6.511   6.060   7.631
  405    H    ALA  83           H        ALA  83  -8.278   3.790   4.446
  406    HA   ALA  83           HA       ALA  83  -9.401   1.222   4.298
  407   1HB   ALA  83          1HB       ALA  83  -8.846   3.200   2.038
  408   2HB   ALA  83          2HB       ALA  83  -9.981   1.837   1.982
  409   3HB   ALA  83          3HB       ALA  83 -10.278   3.180   3.090
  410    H    VAL  84           H        VAL  84  -6.547   2.562   2.499
  411    HA   VAL  84           HA       VAL  84  -5.805   0.241   1.143
  412    HB   VAL  84           HB       VAL  84  -3.974   2.293   2.432
  413   1HG1  VAL  84          1HG1      VAL  84  -3.438   0.045   0.445
  414   2HG1  VAL  84          2HG1      VAL  84  -2.339   1.412   0.700
  415   3HG1  VAL  84          3HG1      VAL  84  -2.669   0.274   2.017
  416   1HG2  VAL  84          1HG2      VAL  84  -5.658   2.809   0.332
  417   2HG2  VAL  84          2HG2      VAL  84  -4.047   3.547   0.559
  418   3HG2  VAL  84          3HG2      VAL  84  -4.243   2.170  -0.513
  419    H    ALA  85           H        ALA  85  -4.549   1.247   4.383
  420    HA   ALA  85           HA       ALA  85  -2.876  -0.924   4.829
  421   1HB   ALA  85          1HB       ALA  85  -4.503   0.667   6.859
  422   2HB   ALA  85          2HB       ALA  85  -3.073  -0.326   7.201
  423   3HB   ALA  85          3HB       ALA  85  -2.926   1.110   6.166
  424    H    ALA  86           H        ALA  86  -6.275  -0.622   6.000
  425    HA   ALA  86           HA       ALA  86  -6.393  -3.169   7.241
  426   1HB   ALA  86          1HB       ALA  86  -8.848  -2.868   7.107
  427   2HB   ALA  86          2HB       ALA  86  -8.027  -1.394   7.657
  428   3HB   ALA  86          3HB       ALA  86  -8.623  -1.506   5.985
  429    H    TRP  87           H        TRP  87  -7.491  -2.173   3.964
  430    HA   TRP  87           HA       TRP  87  -8.367  -4.719   3.052
  431   1HB   TRP  87          1HB       TRP  87  -8.952  -2.746   1.859
  432   2HB   TRP  87          2HB       TRP  87  -7.242  -2.256   1.797
  433    HD1  TRP  87           HD       TRP  87  -9.545  -4.674  -0.143
  434    HE1  TRP  87           1HE      TRP  87  -8.250  -5.466  -2.198
  435    HE3  TRP  87           3HE      TRP  87  -5.292  -1.906   0.494
  436    HZ2  TRP  87           2HZ      TRP  87  -5.197  -5.007  -3.078
  437    HZ3  TRP  87           3HZ      TRP  87  -3.900  -1.521  -1.411
  438    HH2  TRP  87           HH       TRP  87  -3.887  -3.118  -3.309
  439    H    LEU  88           H        LEU  88  -5.110  -3.189   2.916
  440    HA   LEU  88           HA       LEU  88  -3.940  -5.296   1.426
  441   1HB   LEU  88          1HB       LEU  88  -3.120  -2.790   2.305
  442   2HB   LEU  88          2HB       LEU  88  -2.097  -3.865   3.235
  443    HG   LEU  88           HG       LEU  88  -1.288  -3.067   0.996
  444   1HD1  LEU  88          1HD1      LEU  88  -0.248  -5.091   0.341
  445   2HD1  LEU  88          2HD1      LEU  88  -0.469  -5.266   2.096
  446   3HD1  LEU  88          3HD1      LEU  88  -1.562  -6.106   0.964
  447   1HD2  LEU  88          1HD2      LEU  88  -2.904  -2.802  -0.133
  448   2HD2  LEU  88          2HD2      LEU  88  -1.808  -3.824  -1.055
  449   3HD2  LEU  88          3HD2      LEU  88  -3.332  -4.522  -0.437
  450    H    ALA  89           H        ALA  89  -4.089  -4.741   4.903
  451    HA   ALA  89           HA       ALA  89  -2.691  -7.053   5.826
  452   1HB   ALA  89          1HB       ALA  89  -3.222  -5.308   7.298
  453   2HB   ALA  89          2HB       ALA  89  -4.978  -5.542   7.088
  454   3HB   ALA  89          3HB       ALA  89  -3.994  -6.794   7.878
  455    H    GLU  90           H        GLU  90  -5.965  -6.651   4.544
  456    HA   GLU  90           HA       GLU  90  -6.726  -9.412   5.096
  457   1HB   GLU  90          1HB       GLU  90  -8.228  -7.548   5.278
  458   2HB   GLU  90          2HB       GLU  90  -8.056  -7.129   3.590
  459   1HG   GLU  90          1HG       GLU  90  -8.977  -9.934   4.239
  460   2HG   GLU  90          2HG       GLU  90 -10.100  -8.587   4.468
  461    H    LYS  91           H        LYS  91  -5.023  -7.748   2.490
  462    HA   LYS  91           HA       LYS  91  -6.102  -9.234   0.288
  463   1HB   LYS  91          1HB       LYS  91  -5.068  -6.899   0.456
  464   2HB   LYS  91          2HB       LYS  91  -3.484  -7.661   0.505
  465   1HG   LYS  91          1HG       LYS  91  -5.542  -7.759  -1.749
  466   2HG   LYS  91          2HG       LYS  91  -4.107  -6.740  -1.641
  467   1HD   LYS  91          1HD       LYS  91  -3.030  -9.323  -1.368
  468   2HD   LYS  91          2HD       LYS  91  -4.351  -9.543  -2.541
  469   1HE   LYS  91          1HE       LYS  91  -3.202  -7.342  -3.591
  470   2HE   LYS  91          2HE       LYS  91  -1.899  -7.820  -2.462
  471   1HZ   LYS  91          1HZ       LYS  91  -1.650  -9.838  -3.689
  472   2HZ   LYS  91          2HZ       LYS  91  -3.007  -9.579  -4.592
  473   3HZ   LYS  91          3HZ       LYS  91  -1.663  -8.655  -4.795
  474    H    LYS  92           H        LYS  92  -3.432  -9.488   2.381
  475    HA   LYS  92           HA       LYS  92  -1.394 -10.765   1.030
  476   1HB   LYS  92          1HB       LYS  92  -0.477 -10.978   3.114
  477   2HB   LYS  92          2HB       LYS  92  -1.263  -9.416   2.786
  478   1HG   LYS  92          1HG       LYS  92  -2.100  -9.817   5.013
  479   2HG   LYS  92          2HG       LYS  92  -3.353 -10.544   4.084
  480   1HD   LYS  92          1HD       LYS  92  -1.676 -12.725   4.484
  481   2HD   LYS  92          2HD       LYS  92  -1.364 -11.728   5.909
  482   1HE   LYS  92          1HE       LYS  92  -3.199 -13.109   6.540
  483   2HE   LYS  92          2HE       LYS  92  -3.892 -11.517   6.208
  484   1HZ   LYS  92          1HZ       LYS  92  -3.999 -13.928   4.531
  485   2HZ   LYS  92          2HZ       LYS  92  -5.270 -12.994   5.045
  486   3HZ   LYS  92          3HZ       LYS  92  -4.218 -12.522   3.848
  487    HHA  HEC  93           HHA      HEC  93   8.476   0.215   0.398
  488    HHB  HEC  93           HHB      HEC  93   2.086   0.314   0.571
  489    HHC  HEC  93           HHC      HEC  93   2.186   4.444  -4.379
  490    HHD  HEC  93           HHD      HEC  93   8.517   3.534  -4.996
  491   1HMA  HEC  93          1HMA      HEC  93   3.397  -1.811   2.009
  492   2HMA  HEC  93          2HMA      HEC  93   4.445  -1.222   3.314
  493   3HMA  HEC  93          3HMA      HEC  93   3.076  -0.240   2.795
  494   1HAA  HEC  93          1HAA      HEC  93   6.651  -1.407   3.078
  495   2HAA  HEC  93          2HAA      HEC  93   7.817  -0.240   2.555
  496   1HBA  HEC  93          1HBA      HEC  93   7.998  -1.782   0.463
  497   2HBA  HEC  93          2HBA      HEC  93   7.097  -2.960   1.409
  498   1HMB  HEC  93          1HMB      HEC  93   0.113  -0.005  -0.991
  499   2HMB  HEC  93          2HMB      HEC  93  -0.159   1.302   0.177
  500   3HMB  HEC  93          3HMB      HEC  93  -0.976   1.312  -1.400
  501    HAB  HEC  93           HAB      HEC  93   0.231   4.342  -3.608
  502   1HBB  HEC  93          1HBB      HEC  93  -1.766   4.733  -2.306
  503   2HBB  HEC  93          2HBB      HEC  93  -1.339   3.461  -1.159
  504   3HBB  HEC  93          3HBB      HEC  93  -0.324   4.901  -1.280
  505   1HMC  HEC  93          1HMC      HEC  93   4.188   5.734  -7.315
  506   2HMC  HEC  93          2HMC      HEC  93   2.862   4.795  -6.663
  507   3HMC  HEC  93          3HMC      HEC  93   3.330   6.315  -5.873
  508    HAC  HEC  93           HAC      HEC  93   7.898   4.655  -6.643
  509   1HBC  HEC  93          1HBC      HEC  93   5.944   6.937  -7.043
  510   2HBC  HEC  93          2HBC      HEC  93   7.436   6.925  -6.098
  511   3HBC  HEC  93          3HBC      HEC  93   7.506   6.727  -7.853
  512   1HMD  HEC  93          1HMD      HEC  93  10.126   2.020  -5.137
  513   2HMD  HEC  93          2HMD      HEC  93  11.210   2.790  -3.954
  514   3HMD  HEC  93          3HMD      HEC  93  11.146   1.019  -4.121
  515   1HAD  HEC  93          1HAD      HEC  93  10.779  -0.446  -1.310
  516   2HAD  HEC  93          2HAD      HEC  93  10.377   0.600  -0.070
  517   1HBD  HEC  93          1HBD      HEC  93  12.534   1.009  -0.155
  518   2HBD  HEC  93          2HBD      HEC  93  11.702   2.445  -0.742
  Start of MODEL   27
    1   1H    VAL  22          1H        VAL  22 -13.074   3.682   1.427
    2   2H    VAL  22          2H        VAL  22 -11.757   4.458   2.040
    3   3H    VAL  22          3H        VAL  22 -13.233   5.285   1.926
    4    HA   VAL  22           HA       VAL  22 -13.232   5.149  -0.341
    5    HB   VAL  22           HB       VAL  22 -10.295   5.528   0.371
    6   1HG1  VAL  22          1HG1      VAL  22 -11.967   6.461  -2.009
    7   2HG1  VAL  22          2HG1      VAL  22 -10.329   7.043  -1.659
    8   3HG1  VAL  22          3HG1      VAL  22 -10.588   5.343  -2.050
    9   1HG2  VAL  22          1HG2      VAL  22 -11.791   7.056   1.707
   10   2HG2  VAL  22          2HG2      VAL  22 -10.750   7.916   0.570
   11   3HG2  VAL  22          3HG2      VAL  22 -12.465   7.667   0.182
   12    H    ASP  23           H        ASP  23 -12.748   3.971  -1.969
   13    HA   ASP  23           HA       ASP  23 -12.569   1.221  -1.716
   14   1HB   ASP  23          1HB       ASP  23 -12.184   2.919  -4.208
   15   2HB   ASP  23          2HB       ASP  23 -12.459   1.162  -4.230
   16    H    ALA  24           H        ALA  24 -10.814   0.551  -0.662
   17    HA   ALA  24           HA       ALA  24  -8.254   1.367  -0.727
   18   1HB   ALA  24          1HB       ALA  24  -7.636  -0.789   0.181
   19   2HB   ALA  24          2HB       ALA  24  -9.170  -0.260   0.898
   20   3HB   ALA  24          3HB       ALA  24  -9.180  -1.502  -0.360
   21    H    GLU  25           H        GLU  25  -9.507  -1.419  -2.641
   22    HA   GLU  25           HA       GLU  25  -7.007  -1.806  -3.929
   23   1HB   GLU  25          1HB       GLU  25  -7.897  -3.543  -5.040
   24   2HB   GLU  25          2HB       GLU  25  -9.107  -3.416  -3.754
   25   1HG   GLU  25          1HG       GLU  25 -10.548  -2.132  -5.249
   26   2HG   GLU  25          2HG       GLU  25  -9.333  -2.311  -6.582
   27    H    ALA  26           H        ALA  26  -9.885   0.154  -4.858
   28    HA   ALA  26           HA       ALA  26  -9.012   0.769  -7.466
   29   1HB   ALA  26          1HB       ALA  26 -10.513   2.650  -7.405
   30   2HB   ALA  26          2HB       ALA  26 -11.284   1.290  -6.558
   31   3HB   ALA  26          3HB       ALA  26 -10.551   2.633  -5.639
   32    H    VAL  27           H        VAL  27  -8.440   2.560  -4.409
   33    HA   VAL  27           HA       VAL  27  -6.505   4.524  -5.339
   34    HB   VAL  27           HB       VAL  27  -6.707   2.944  -2.726
   35   1HG1  VAL  27          1HG1      VAL  27  -5.264   4.616  -1.725
   36   2HG1  VAL  27          2HG1      VAL  27  -4.391   3.858  -3.054
   37   3HG1  VAL  27          3HG1      VAL  27  -5.102   5.472  -3.263
   38   1HG2  VAL  27          1HG2      VAL  27  -8.661   4.428  -3.212
   39   2HG2  VAL  27          2HG2      VAL  27  -7.715   4.973  -1.819
   40   3HG2  VAL  27          3HG2      VAL  27  -7.548   5.796  -3.385
   41    H    VAL  28           H        VAL  28  -5.818   1.049  -4.148
   42    HA   VAL  28           HA       VAL  28  -3.166   1.824  -4.671
   43    HB   VAL  28           HB       VAL  28  -4.557  -0.697  -3.902
   44   1HG1  VAL  28          1HG1      VAL  28  -1.954  -1.027  -2.917
   45   2HG1  VAL  28          2HG1      VAL  28  -2.607  -1.815  -4.367
   46   3HG1  VAL  28          3HG1      VAL  28  -1.699  -0.342  -4.510
   47   1HG2  VAL  28          1HG2      VAL  28  -4.100   0.021  -1.646
   48   2HG2  VAL  28          2HG2      VAL  28  -2.822   1.107  -2.169
   49   3HG2  VAL  28          3HG2      VAL  28  -4.503   1.496  -2.451
   50    H    GLN  29           H        GLN  29  -5.464   0.158  -6.542
   51    HA   GLN  29           HA       GLN  29  -3.959  -0.743  -8.796
   52   1HB   GLN  29          1HB       GLN  29  -6.908  -0.168  -8.271
   53   2HB   GLN  29          2HB       GLN  29  -6.356  -0.778  -9.797
   54   1HG   GLN  29          1HG       GLN  29  -5.931  -2.229  -7.171
   55   2HG   GLN  29          2HG       GLN  29  -7.155  -2.585  -8.392
   56   1HE2  GLN  29          1HE2      GLN  29  -3.995  -3.310  -7.355
   57   2HE2  GLN  29          2HE2      GLN  29  -3.387  -4.037  -8.830
   58    H    GLN  30           H        GLN  30  -4.516   2.441  -7.768
   59    HA   GLN  30           HA       GLN  30  -3.578   3.296 -10.464
   60   1HB   GLN  30          1HB       GLN  30  -6.153   3.829  -9.393
   61   2HB   GLN  30          2HB       GLN  30  -5.269   5.337  -9.201
   62   1HG   GLN  30          1HG       GLN  30  -4.642   5.265 -11.621
   63   2HG   GLN  30          2HG       GLN  30  -5.403   3.673 -11.775
   64   1HE2  GLN  30          1HE2      GLN  30  -6.161   7.113 -11.020
   65   2HE2  GLN  30          2HE2      GLN  30  -7.805   7.005 -11.634
   66    H    LYS  31           H        LYS  31  -3.196   3.656  -7.046
   67    HA   LYS  31           HA       LYS  31  -1.518   6.082  -7.301
   68   1HB   LYS  31          1HB       LYS  31  -3.116   4.712  -5.125
   69   2HB   LYS  31          2HB       LYS  31  -1.873   5.782  -4.667
   70   1HG   LYS  31          1HG       LYS  31  -3.790   6.825  -6.740
   71   2HG   LYS  31          2HG       LYS  31  -4.369   6.610  -5.085
   72   1HD   LYS  31          1HD       LYS  31  -2.440   7.898  -4.218
   73   2HD   LYS  31          2HD       LYS  31  -1.935   8.271  -5.880
   74   1HE   LYS  31          1HE       LYS  31  -3.984   9.564  -6.236
   75   2HE   LYS  31          2HE       LYS  31  -4.706   8.916  -4.753
   76   1HZ   LYS  31          1HZ       LYS  31  -2.439  10.772  -4.851
   77   2HZ   LYS  31          2HZ       LYS  31  -3.966  11.061  -4.281
   78   3HZ   LYS  31          3HZ       LYS  31  -2.965  10.023  -3.494
   79    H    CYS  32           H        CYS  32  -1.311   2.589  -6.686
   80    HA   CYS  32           HA       CYS  32   1.509   2.966  -5.763
   81   1HB   CYS  32          1HB       CYS  32  -0.061   0.515  -5.327
   82   2HB   CYS  32          2HB       CYS  32   1.270   1.100  -4.372
   83    H    ILE  33           H        ILE  33  -0.629   0.933  -7.830
   84    HA   ILE  33           HA       ILE  33   1.280  -0.803  -8.803
   85    HB   ILE  33           HB       ILE  33   0.035  -0.967 -10.867
   86   1HG1  ILE  33          1HG1      ILE  33  -1.825   1.246  -9.944
   87   2HG1  ILE  33          2HG1      ILE  33  -0.533   1.514 -11.116
   88   1HG2  ILE  33          1HG2      ILE  33  -2.065  -1.771  -9.896
   89   2HG2  ILE  33          2HG2      ILE  33  -0.717  -2.127  -8.814
   90   3HG2  ILE  33          3HG2      ILE  33  -1.787  -0.790  -8.454
   91   1HD1  ILE  33          1HD1      ILE  33  -2.797  -0.447 -11.545
   92   2HD1  ILE  33          2HD1      ILE  33  -2.567   1.131 -12.319
   93   3HD1  ILE  33          3HD1      ILE  33  -1.418  -0.180 -12.629
   94    H    SER  34           H        SER  34   0.899   2.552  -9.580
   95    HA   SER  34           HA       SER  34   2.390   3.136 -11.749
   96   1HB   SER  34          1HB       SER  34   1.287   4.708 -10.104
   97   2HB   SER  34          2HB       SER  34   2.717   4.537  -9.061
   98    HG   SER  34           HG       SER  34   2.761   6.366 -10.515
   99    H    CYS  35           H        CYS  35   3.737   2.122  -8.569
  100    HA   CYS  35           HA       CYS  35   6.381   1.732  -9.915
  101   1HB   CYS  35          1HB       CYS  35   6.178   2.134  -6.928
  102   2HB   CYS  35          2HB       CYS  35   7.555   2.255  -7.999
  103    H    HIS  36           H        HIS  36   4.050   0.406  -7.500
  104    HA   HIS  36           HA       HIS  36   5.642  -1.973  -7.119
  105   1HB   HIS  36          1HB       HIS  36   2.858  -1.168  -6.268
  106   2HB   HIS  36          2HB       HIS  36   3.580  -2.732  -5.866
  107    HD1  HIS  36           1HD      HIS  36   5.834  -2.681  -4.287
  108    HD2  HIS  36           2HD      HIS  36   3.661   0.916  -4.754
  109    HE1  HIS  36           1HE      HIS  36   6.580  -1.107  -2.430
  110    H    GLY  37           H        GLY  37   3.472  -1.184  -9.688
  111   1HA   GLY  37          1HA       GLY  37   3.143  -2.460 -11.573
  112   2HA   GLY  37          2HA       GLY  37   3.734  -3.919 -10.761
  113    H    GLY  38           H        GLY  38   1.348  -3.699 -12.371
  114   1HA   GLY  38          1HA       GLY  38  -1.092  -3.163 -11.461
  115   2HA   GLY  38          2HA       GLY  38  -0.753  -4.631 -12.370
  116    H    ASP  39           H        ASP  39   0.065  -6.533 -11.015
  117    HA   ASP  39           HA       ASP  39  -1.836  -7.216  -9.076
  118   1HB   ASP  39          1HB       ASP  39   0.821  -8.518  -9.782
  119   2HB   ASP  39          2HB       ASP  39  -0.563  -9.318  -9.011
  120    H    LEU  40           H        LEU  40   0.872  -5.277  -8.595
  121    HA   LEU  40           HA       LEU  40   2.010  -4.473  -6.874
  122   1HB   LEU  40          1HB       LEU  40   0.040  -5.914  -5.076
  123   2HB   LEU  40          2HB       LEU  40   1.106  -4.596  -4.623
  124    HG   LEU  40           HG       LEU  40  -0.619  -4.010  -7.018
  125   1HD1  LEU  40          1HD1      LEU  40  -1.884  -4.274  -4.282
  126   2HD1  LEU  40          2HD1      LEU  40  -2.615  -3.594  -5.760
  127   3HD1  LEU  40          3HD1      LEU  40  -2.200  -5.308  -5.698
  128   1HD2  LEU  40          1HD2      LEU  40  -0.735  -1.853  -6.098
  129   2HD2  LEU  40          2HD2      LEU  40  -0.154  -2.410  -4.514
  130   3HD2  LEU  40          3HD2      LEU  40   0.939  -2.397  -5.913
  131    H    THR  41           H        THR  41   2.596  -7.022  -8.162
  132    HA   THR  41           HA       THR  41   3.988  -8.762  -6.356
  133    HB   THR  41           HB       THR  41   4.731  -9.577  -8.751
  134    HG1  THR  41           1HG      THR  41   4.265  -7.756  -9.939
  135   1HG2  THR  41          1HG2      THR  41   2.447 -10.511  -9.191
  136   2HG2  THR  41          2HG2      THR  41   2.987 -10.735  -7.514
  137   3HG2  THR  41          3HG2      THR  41   1.801  -9.476  -7.899
  138    H    GLY  42           H        GLY  42   4.772  -5.631  -7.620
  139   1HA   GLY  42          1HA       GLY  42   6.594  -4.541  -6.804
  140   2HA   GLY  42          2HA       GLY  42   7.493  -6.050  -6.573
  141    H    ALA  43           H        ALA  43   6.371  -3.743  -9.017
  142    HA   ALA  43           HA       ALA  43   8.203  -4.809 -11.066
  143   1HB   ALA  43          1HB       ALA  43   6.324  -2.417 -11.059
  144   2HB   ALA  43          2HB       ALA  43   7.332  -2.925 -12.432
  145   3HB   ALA  43          3HB       ALA  43   6.073  -4.004 -11.802
  146    H    SER  44           H        SER  44   7.863  -1.412 -10.014
  147    HA   SER  44           HA       SER  44  10.798  -1.025 -10.231
  148   1HB   SER  44          1HB       SER  44   9.167   0.463 -11.493
  149   2HB   SER  44          2HB       SER  44   8.613   1.058  -9.913
  150    HG   SER  44           HG       SER  44  10.889   1.530  -9.507
  151    H    ALA  45           H        ALA  45   8.805  -2.033  -7.863
  152    HA   ALA  45           HA       ALA  45  10.253  -0.849  -5.602
  153   1HB   ALA  45          1HB       ALA  45   8.080  -0.281  -4.521
  154   2HB   ALA  45          2HB       ALA  45   8.295   0.657  -6.002
  155   3HB   ALA  45          3HB       ALA  45   7.222  -0.745  -5.999
  156    HA   PRO  46           HA       PRO  46   9.879  -5.118  -4.588
  157   1HB   PRO  46          1HB       PRO  46   9.341  -5.276  -1.873
  158   2HB   PRO  46          2HB       PRO  46  10.916  -4.778  -2.558
  159   1HG   PRO  46          1HG       PRO  46   8.640  -2.993  -1.673
  160   2HG   PRO  46          2HG       PRO  46  10.362  -2.889  -1.189
  161   1HD   PRO  46          1HD       PRO  46   9.390  -1.334  -3.165
  162   2HD   PRO  46          2HD       PRO  46  10.978  -2.115  -3.394
  163    H    ALA  47           H        ALA  47   8.454  -6.871  -3.783
  164    HA   ALA  47           HA       ALA  47   5.755  -6.551  -4.728
  165   1HB   ALA  47          1HB       ALA  47   7.149  -8.678  -4.850
  166   2HB   ALA  47          2HB       ALA  47   6.948  -8.844  -3.102
  167   3HB   ALA  47          3HB       ALA  47   5.526  -8.887  -4.163
  168    H    ILE  48           H        ILE  48   4.169  -5.586  -3.575
  169    HA   ILE  48           HA       ILE  48   4.293  -5.830  -0.596
  170    HB   ILE  48           HB       ILE  48   3.229  -3.754  -0.260
  171   1HG1  ILE  48          1HG1      ILE  48   3.261  -2.064  -2.209
  172   2HG1  ILE  48          2HG1      ILE  48   3.166  -3.466  -3.277
  173   1HG2  ILE  48          1HG2      ILE  48   5.097  -2.325  -0.836
  174   2HG2  ILE  48          2HG2      ILE  48   5.671  -3.918  -0.324
  175   3HG2  ILE  48          3HG2      ILE  48   5.654  -3.492  -2.046
  176   1HD1  ILE  48          1HD1      ILE  48   1.236  -2.842  -0.969
  177   2HD1  ILE  48          2HD1      ILE  48   0.970  -2.337  -2.635
  178   3HD1  ILE  48          3HD1      ILE  48   0.989  -4.067  -2.237
  179    H    ASP  49           H        ASP  49   2.670  -6.980  -3.286
  180    HA   ASP  49           HA       ASP  49   0.059  -7.334  -2.538
  181   1HB   ASP  49          1HB       ASP  49   0.252  -9.603  -3.488
  182   2HB   ASP  49          2HB       ASP  49   1.109  -8.421  -4.512
  183    H    LYS  50           H        LYS  50   2.846  -8.988  -1.182
  184    HA   LYS  50           HA       LYS  50   1.233 -10.356   0.910
  185   1HB   LYS  50          1HB       LYS  50   3.993 -10.749  -0.250
  186   2HB   LYS  50          2HB       LYS  50   3.487 -11.584   1.231
  187   1HG   LYS  50          1HG       LYS  50   1.895 -12.883   0.183
  188   2HG   LYS  50          2HG       LYS  50   1.524 -11.650  -1.025
  189   1HD   LYS  50          1HD       LYS  50   3.611 -12.033  -2.202
  190   2HD   LYS  50          2HD       LYS  50   4.067 -13.323  -1.087
  191   1HE   LYS  50          1HE       LYS  50   1.311 -13.526  -2.314
  192   2HE   LYS  50          2HE       LYS  50   2.636 -13.623  -3.469
  193   1HZ   LYS  50          1HZ       LYS  50   1.961 -15.769  -2.599
  194   2HZ   LYS  50          2HZ       LYS  50   3.535 -15.445  -2.247
  195   3HZ   LYS  50          3HZ       LYS  50   2.378 -15.318  -1.073
  196    H    ALA  51           H        ALA  51   2.446  -7.368   0.776
  197    HA   ALA  51           HA       ALA  51   3.977  -7.073   3.135
  198   1HB   ALA  51          1HB       ALA  51   3.210  -4.779   3.116
  199   2HB   ALA  51          2HB       ALA  51   3.585  -5.326   1.464
  200   3HB   ALA  51          3HB       ALA  51   1.895  -5.186   1.997
  201    H    GLY  52           H        GLY  52   0.401  -7.620   2.679
  202   1HA   GLY  52          1HA       GLY  52  -0.251  -7.169   5.405
  203   2HA   GLY  52          2HA       GLY  52  -1.141  -8.173   4.237
  204    H    ALA  53           H        ALA  53   1.323  -9.946   3.858
  205    HA   ALA  53           HA       ALA  53   0.957 -11.696   6.212
  206   1HB   ALA  53          1HB       ALA  53   2.524 -13.186   5.061
  207   2HB   ALA  53          2HB       ALA  53   1.192 -12.761   3.987
  208   3HB   ALA  53          3HB       ALA  53   2.776 -11.995   3.780
  209    H    ASN  54           H        ASN  54   3.494  -9.754   4.646
  210    HA   ASN  54           HA       ASN  54   5.556 -10.559   6.478
  211   1HB   ASN  54          1HB       ASN  54   5.444  -8.160   4.603
  212   2HB   ASN  54          2HB       ASN  54   6.899  -8.798   5.375
  213   1HD2  ASN  54          1HD2      ASN  54   6.498  -8.491   2.509
  214   2HD2  ASN  54          2HD2      ASN  54   6.578 -10.108   1.836
  215    H    TYR  55           H        TYR  55   3.469  -7.720   6.290
  216    HA   TYR  55           HA       TYR  55   4.440  -6.605   8.881
  217   1HB   TYR  55          1HB       TYR  55   3.623  -5.051   6.403
  218   2HB   TYR  55          2HB       TYR  55   4.204  -4.390   7.929
  219    HD1  TYR  55           1HD      TYR  55   5.234  -3.880   5.038
  220    HD2  TYR  55           2HD      TYR  55   6.607  -6.306   8.334
  221    HE1  TYR  55           1HE      TYR  55   7.579  -3.710   4.219
  222    HE2  TYR  55           2HE      TYR  55   8.901  -6.189   7.472
  223    HH   TYR  55           HH       TYR  55  10.308  -5.283   5.886
  224    H    SER  56           H        SER  56   2.624  -4.813   9.422
  225    HA   SER  56           HA       SER  56  -0.039  -6.155   9.122
  226   1HB   SER  56          1HB       SER  56   1.086  -4.712  11.544
  227   2HB   SER  56          2HB       SER  56  -0.509  -5.488  11.408
  228    HG   SER  56           HG       SER  56   1.028  -6.825  12.425
  229    H    GLU  57           H        GLU  57  -1.842  -4.517   9.774
  230    HA   GLU  57           HA       GLU  57  -1.851  -2.687   7.646
  231   1HB   GLU  57          1HB       GLU  57  -4.036  -2.080   8.331
  232   2HB   GLU  57          2HB       GLU  57  -3.849  -3.798   8.553
  233   1HG   GLU  57          1HG       GLU  57  -4.760  -3.483  10.566
  234   2HG   GLU  57          2HG       GLU  57  -3.219  -2.813  11.096
  235    H    GLU  58           H        GLU  58  -1.180  -2.170  11.125
  236    HA   GLU  58           HA       GLU  58  -0.986   0.606  11.131
  237   1HB   GLU  58          1HB       GLU  58   0.583   0.286  13.030
  238   2HB   GLU  58          2HB       GLU  58  -0.973  -0.525  13.190
  239   1HG   GLU  58          1HG       GLU  58   1.452  -2.120  12.284
  240   2HG   GLU  58          2HG       GLU  58   1.220  -1.691  13.961
  241    H    GLU  59           H        GLU  59   1.624  -1.722  10.394
  242    HA   GLU  59           HA       GLU  59   3.712   0.168   9.963
  243   1HB   GLU  59          1HB       GLU  59   3.194  -2.623   8.856
  244   2HB   GLU  59          2HB       GLU  59   4.730  -1.784   8.654
  245   1HG   GLU  59          1HG       GLU  59   3.550  -2.417  11.396
  246   2HG   GLU  59          2HG       GLU  59   4.688  -3.454  10.530
  247    H    ILE  60           H        ILE  60   1.394  -1.408   7.779
  248    HA   ILE  60           HA       ILE  60   2.489  -0.357   5.339
  249    HB   ILE  60           HB       ILE  60  -0.243  -1.482   6.039
  250   1HG1  ILE  60          1HG1      ILE  60   2.063  -2.758   4.505
  251   2HG1  ILE  60          2HG1      ILE  60   1.840  -2.953   6.243
  252   1HG2  ILE  60          1HG2      ILE  60  -0.597  -0.159   4.084
  253   2HG2  ILE  60          2HG2      ILE  60   0.914  -0.713   3.333
  254   3HG2  ILE  60          3HG2      ILE  60  -0.458  -1.820   3.522
  255   1HD1  ILE  60          1HD1      ILE  60   0.881  -4.865   5.332
  256   2HD1  ILE  60          2HD1      ILE  60  -0.501  -3.846   5.757
  257   3HD1  ILE  60          3HD1      ILE  60   0.031  -3.975   4.062
  258    H    LEU  61           H        LEU  61  -0.312   0.599   7.330
  259    HA   LEU  61           HA       LEU  61  -1.221   2.834   5.969
  260   1HB   LEU  61          1HB       LEU  61  -2.228   1.767   7.980
  261   2HB   LEU  61          2HB       LEU  61  -0.974   2.401   8.998
  262    HG   LEU  61           HG       LEU  61  -1.702   4.651   8.746
  263   1HD1  LEU  61          1HD1      LEU  61  -3.725   5.212   7.305
  264   2HD1  LEU  61          2HD1      LEU  61  -2.259   4.813   6.403
  265   3HD1  LEU  61          3HD1      LEU  61  -3.548   3.602   6.578
  266   1HD2  LEU  61          1HD2      LEU  61  -4.148   2.851   9.011
  267   2HD2  LEU  61          2HD2      LEU  61  -3.000   3.244  10.309
  268   3HD2  LEU  61          3HD2      LEU  61  -4.008   4.521   9.599
  269    H    ASP  62           H        ASP  62   1.203   2.662   8.632
  270    HA   ASP  62           HA       ASP  62   1.680   5.462   8.564
  271   1HB   ASP  62          1HB       ASP  62   2.217   3.875  10.466
  272   2HB   ASP  62          2HB       ASP  62   3.665   3.395   9.565
  273    H    ILE  63           H        ILE  63   3.259   2.730   6.880
  274    HA   ILE  63           HA       ILE  63   5.353   4.329   5.703
  275    HB   ILE  63           HB       ILE  63   4.193   1.600   5.261
  276   1HG1  ILE  63          1HG1      ILE  63   7.068   2.612   5.249
  277   2HG1  ILE  63          2HG1      ILE  63   6.167   2.272   6.736
  278   1HG2  ILE  63          1HG2      ILE  63   5.766   2.991   3.060
  279   2HG2  ILE  63          2HG2      ILE  63   5.530   1.247   3.193
  280   3HG2  ILE  63          3HG2      ILE  63   4.134   2.275   2.955
  281   1HD1  ILE  63          1HD1      ILE  63   7.569   0.377   6.187
  282   2HD1  ILE  63          2HD1      ILE  63   5.860  -0.080   6.044
  283   3HD1  ILE  63          3HD1      ILE  63   6.840   0.217   4.588
  284    H    ILE  64           H        ILE  64   2.011   3.636   4.568
  285    HA   ILE  64           HA       ILE  64   2.339   4.972   2.043
  286    HB   ILE  64           HB       ILE  64  -0.098   4.580   3.809
  287   1HG1  ILE  64          1HG1      ILE  64   0.661   3.148   1.231
  288   2HG1  ILE  64          2HG1      ILE  64   1.187   2.559   2.804
  289   1HG2  ILE  64          1HG2      ILE  64  -1.394   5.035   1.685
  290   2HG2  ILE  64          2HG2      ILE  64  -0.594   6.447   2.361
  291   3HG2  ILE  64          3HG2      ILE  64   0.118   5.627   0.960
  292   1HD1  ILE  64          1HD1      ILE  64  -1.263   2.608   3.552
  293   2HD1  ILE  64          2HD1      ILE  64  -1.659   2.834   1.832
  294   3HD1  ILE  64          3HD1      ILE  64  -0.798   1.380   2.376
  295    H    LEU  65           H        LEU  65   1.180   6.124   5.220
  296    HA   LEU  65           HA       LEU  65   0.713   8.811   4.383
  297   1HB   LEU  65          1HB       LEU  65   1.306   7.626   7.106
  298   2HB   LEU  65          2HB       LEU  65   0.705   9.265   6.846
  299    HG   LEU  65           HG       LEU  65  -0.913   6.856   5.841
  300   1HD1  LEU  65          1HD1      LEU  65  -0.981   8.213   8.584
  301   2HD1  LEU  65          2HD1      LEU  65  -2.145   7.011   7.991
  302   3HD1  LEU  65          3HD1      LEU  65  -0.454   6.551   8.269
  303   1HD2  LEU  65          1HD2      LEU  65  -1.697   9.667   6.651
  304   2HD2  LEU  65          2HD2      LEU  65  -1.512   9.045   4.984
  305   3HD2  LEU  65          3HD2      LEU  65  -2.765   8.383   6.050
  306    H    ASN  66           H        ASN  66   3.599   7.230   5.707
  307    HA   ASN  66           HA       ASN  66   5.071   9.750   6.080
  308   1HB   ASN  66          1HB       ASN  66   5.671   6.824   6.681
  309   2HB   ASN  66          2HB       ASN  66   6.895   8.045   6.794
  310   1HD2  ASN  66          1HD2      ASN  66   3.661   7.254   7.943
  311   2HD2  ASN  66          2HD2      ASN  66   3.869   7.750   9.577
  312    H    GLY  67           H        GLY  67   5.506   6.721   4.212
  313   1HA   GLY  67          1HA       GLY  67   6.552   6.661   2.035
  314   2HA   GLY  67          2HA       GLY  67   7.580   8.024   2.489
  315    H    GLN  68           H        GLN  68   7.375   4.639   2.368
  316    HA   GLN  68           HA       GLN  68   9.559   3.888   4.098
  317   1HB   GLN  68          1HB       GLN  68   8.280   2.079   2.902
  318   2HB   GLN  68          2HB       GLN  68   8.527   2.940   1.396
  319   1HG   GLN  68          1HG       GLN  68   9.755   0.937   1.643
  320   2HG   GLN  68          2HG       GLN  68  10.838   2.304   1.307
  321   1HE2  GLN  68          1HE2      GLN  68  10.879  -0.596   2.666
  322   2HE2  GLN  68          2HE2      GLN  68  11.891  -0.257   4.057
  323    H    GLY  69           H        GLY  69  11.866   3.896   3.465
  324   1HA   GLY  69          1HA       GLY  69  12.982   6.228   2.900
  325   2HA   GLY  69          2HA       GLY  69  13.776   4.728   2.413
  326    H    GLY  70           H        GLY  70  12.644   3.889   0.140
  327   1HA   GLY  70          1HA       GLY  70  13.416   5.981  -1.777
  328   2HA   GLY  70          2HA       GLY  70  13.104   4.279  -2.103
  329    H    MET  71           H        MET  71  10.578   5.759  -0.295
  330    HA   MET  71           HA       MET  71   8.832   5.913  -2.705
  331   1HB   MET  71          1HB       MET  71   8.573   3.933  -1.256
  332   2HB   MET  71          2HB       MET  71   8.326   4.971   0.139
  333   1HG   MET  71          1HG       MET  71   6.272   5.791  -0.647
  334   2HG   MET  71          2HG       MET  71   6.414   4.966  -2.202
  335   1HE   MET  71          1HE       MET  71   3.800   4.503  -0.689
  336   2HE   MET  71          2HE       MET  71   3.774   3.335   0.648
  337   3HE   MET  71          3HE       MET  71   4.530   4.924   0.880
  338    HA   PRO  72           HA       PRO  72   8.718  10.092  -1.332
  339   1HB   PRO  72          1HB       PRO  72   6.447  11.108  -2.553
  340   2HB   PRO  72          2HB       PRO  72   7.984  10.749  -3.390
  341   1HG   PRO  72          1HG       PRO  72   5.534   9.001  -3.192
  342   2HG   PRO  72          2HG       PRO  72   6.486   9.379  -4.653
  343   1HD   PRO  72          1HD       PRO  72   6.890   7.057  -3.324
  344   2HD   PRO  72          2HD       PRO  72   8.294   7.981  -3.940
  345    H    GLY  73           H        GLY  73   5.681   8.305  -0.889
  346   1HA   GLY  73          1HA       GLY  73   4.474   8.061   1.076
  347   2HA   GLY  73          2HA       GLY  73   5.534   9.235   1.874
  348    H    GLY  74           H        GLY  74   2.808   9.215   2.249
  349   1HA   GLY  74          1HA       GLY  74   1.023  10.679   2.369
  350   2HA   GLY  74          2HA       GLY  74   2.046  11.952   1.678
  351    H    ILE  75           H        ILE  75   1.872   8.990  -0.083
  352    HA   ILE  75           HA       ILE  75   0.834  10.114  -2.477
  353    HB   ILE  75           HB       ILE  75   1.178   7.286  -1.419
  354   1HG1  ILE  75          1HG1      ILE  75   2.770   8.448  -3.699
  355   2HG1  ILE  75          2HG1      ILE  75   3.158   9.020  -2.073
  356   1HG2  ILE  75          1HG2      ILE  75   0.989   6.549  -3.834
  357   2HG2  ILE  75          2HG2      ILE  75  -0.523   7.063  -3.091
  358   3HG2  ILE  75          3HG2      ILE  75   0.333   8.153  -4.211
  359   1HD1  ILE  75          1HD1      ILE  75   4.495   6.997  -2.789
  360   2HD1  ILE  75          2HD1      ILE  75   3.602   6.812  -1.264
  361   3HD1  ILE  75          3HD1      ILE  75   2.986   6.076  -2.755
  362    H    ALA  76           H        ALA  76  -0.634   8.436   0.292
  363    HA   ALA  76           HA       ALA  76  -3.270   9.264  -0.619
  364   1HB   ALA  76          1HB       ALA  76  -3.322   6.950  -1.312
  365   2HB   ALA  76          2HB       ALA  76  -2.427   6.424   0.128
  366   3HB   ALA  76          3HB       ALA  76  -4.100   6.959   0.289
  367    H    LYS  77           H        LYS  77  -4.633   9.753   1.212
  368    HA   LYS  77           HA       LYS  77  -3.355   9.552   3.904
  369   1HB   LYS  77          1HB       LYS  77  -4.002  12.046   2.352
  370   2HB   LYS  77          2HB       LYS  77  -4.159  12.081   4.094
  371   1HG   LYS  77          1HG       LYS  77  -1.562  11.068   2.894
  372   2HG   LYS  77          2HG       LYS  77  -1.916  12.777   2.829
  373   1HD   LYS  77          1HD       LYS  77  -2.448  11.948   5.537
  374   2HD   LYS  77          2HD       LYS  77  -0.911  11.213   5.043
  375   1HE   LYS  77          1HE       LYS  77  -0.006  13.371   4.364
  376   2HE   LYS  77          2HE       LYS  77  -1.541  14.177   4.743
  377   1HZ   LYS  77          1HZ       LYS  77  -1.217  13.601   7.041
  378   2HZ   LYS  77          2HZ       LYS  77   0.191  12.814   6.703
  379   3HZ   LYS  77          3HZ       LYS  77   0.081  14.436   6.480
  380    H    GLY  78           H        GLY  78  -4.718   9.762   5.681
  381   1HA   GLY  78          1HA       GLY  78  -6.648   9.474   6.859
  382   2HA   GLY  78          2HA       GLY  78  -7.477  10.387   5.585
  383    H    ALA  79           H        ALA  79  -9.291   9.079   5.509
  384    HA   ALA  79           HA       ALA  79  -9.730   6.447   5.575
  385   1HB   ALA  79          1HB       ALA  79 -11.028   8.365   3.618
  386   2HB   ALA  79          2HB       ALA  79 -11.684   6.797   4.151
  387   3HB   ALA  79          3HB       ALA  79 -11.476   8.111   5.320
  388    H    GLU  80           H        GLU  80  -8.247   8.101   2.851
  389    HA   GLU  80           HA       GLU  80  -8.262   6.078   0.853
  390   1HB   GLU  80          1HB       GLU  80  -7.602   8.643   0.892
  391   2HB   GLU  80          2HB       GLU  80  -6.023   8.028   1.353
  392   1HG   GLU  80          1HG       GLU  80  -6.045   6.711  -0.830
  393   2HG   GLU  80          2HG       GLU  80  -7.543   7.560  -1.234
  394    H    ALA  81           H        ALA  81  -5.635   6.940   3.230
  395    HA   ALA  81           HA       ALA  81  -4.065   4.633   2.508
  396   1HB   ALA  81          1HB       ALA  81  -2.582   5.423   4.241
  397   2HB   ALA  81          2HB       ALA  81  -3.138   6.810   3.296
  398   3HB   ALA  81          3HB       ALA  81  -3.839   6.502   4.899
  399    H    GLU  82           H        GLU  82  -6.334   5.504   5.133
  400    HA   GLU  82           HA       GLU  82  -5.900   3.298   6.871
  401   1HB   GLU  82          1HB       GLU  82  -8.447   4.811   6.204
  402   2HB   GLU  82          2HB       GLU  82  -8.265   3.731   7.579
  403   1HG   GLU  82          1HG       GLU  82  -6.715   5.161   8.672
  404   2HG   GLU  82          2HG       GLU  82  -6.427   6.135   7.230
  405    H    ALA  83           H        ALA  83  -8.216   3.682   4.118
  406    HA   ALA  83           HA       ALA  83  -9.256   1.054   4.251
  407   1HB   ALA  83          1HB       ALA  83 -10.014   1.422   1.995
  408   2HB   ALA  83          2HB       ALA  83 -10.271   2.882   2.951
  409   3HB   ALA  83          3HB       ALA  83  -8.922   2.813   1.786
  410    H    VAL  84           H        VAL  84  -6.424   2.367   2.393
  411    HA   VAL  84           HA       VAL  84  -5.675  -0.069   1.193
  412    HB   VAL  84           HB       VAL  84  -3.704   1.961   2.317
  413   1HG1  VAL  84          1HG1      VAL  84  -2.568  -0.117   1.944
  414   2HG1  VAL  84          2HG1      VAL  84  -3.462  -0.426   0.450
  415   3HG1  VAL  84          3HG1      VAL  84  -2.263   0.866   0.516
  416   1HG2  VAL  84          1HG2      VAL  84  -3.525   2.547  -0.177
  417   2HG2  VAL  84          2HG2      VAL  84  -5.132   1.773  -0.336
  418   3HG2  VAL  84          3HG2      VAL  84  -4.909   3.184   0.707
  419    H    ALA  85           H        ALA  85  -4.604   1.168   4.412
  420    HA   ALA  85           HA       ALA  85  -2.909  -0.839   5.174
  421   1HB   ALA  85          1HB       ALA  85  -3.367  -0.156   7.435
  422   2HB   ALA  85          2HB       ALA  85  -3.605   1.264   6.396
  423   3HB   ALA  85          3HB       ALA  85  -4.998   0.390   7.043
  424    H    ALA  86           H        ALA  86  -6.419  -0.864   5.911
  425    HA   ALA  86           HA       ALA  86  -6.491  -3.484   7.007
  426   1HB   ALA  86          1HB       ALA  86  -8.695  -1.873   5.647
  427   2HB   ALA  86          2HB       ALA  86  -8.938  -3.310   6.664
  428   3HB   ALA  86          3HB       ALA  86  -8.259  -1.829   7.369
  429    H    TRP  87           H        TRP  87  -7.360  -2.359   3.694
  430    HA   TRP  87           HA       TRP  87  -8.143  -4.882   2.656
  431   1HB   TRP  87          1HB       TRP  87  -8.712  -2.817   1.586
  432   2HB   TRP  87          2HB       TRP  87  -6.992  -2.377   1.484
  433    HD1  TRP  87           HD       TRP  87  -9.543  -4.554  -0.410
  434    HE1  TRP  87           1HE      TRP  87  -8.487  -5.339  -2.577
  435    HE3  TRP  87           3HE      TRP  87  -4.997  -2.245   0.045
  436    HZ2  TRP  87           2HZ      TRP  87  -4.955  -4.963  -2.872
  437    HZ3  TRP  87           3HZ      TRP  87  -3.696  -1.949  -2.049
  438    HH2  TRP  87           HH       TRP  87  -4.401  -3.040  -4.150
  439    H    LEU  88           H        LEU  88  -4.968  -3.271   2.667
  440    HA   LEU  88           HA       LEU  88  -3.627  -5.205   1.092
  441   1HB   LEU  88          1HB       LEU  88  -3.009  -2.690   1.909
  442   2HB   LEU  88          2HB       LEU  88  -2.015  -3.618   3.007
  443    HG   LEU  88           HG       LEU  88  -1.003  -2.858   0.904
  444   1HD1  LEU  88          1HD1      LEU  88   0.283  -4.655   0.523
  445   2HD1  LEU  88          2HD1      LEU  88  -0.400  -5.156   2.083
  446   3HD1  LEU  88          3HD1      LEU  88  -1.040  -5.853   0.572
  447   1HD2  LEU  88          1HD2      LEU  88  -2.861  -4.454  -0.739
  448   2HD2  LEU  88          2HD2      LEU  88  -2.595  -2.693  -0.500
  449   3HD2  LEU  88          3HD2      LEU  88  -1.341  -3.683  -1.245
  450    H    ALA  89           H        ALA  89  -3.891  -4.688   4.617
  451    HA   ALA  89           HA       ALA  89  -2.415  -6.924   5.526
  452   1HB   ALA  89          1HB       ALA  89  -3.757  -6.783   7.549
  453   2HB   ALA  89          2HB       ALA  89  -3.149  -5.212   6.998
  454   3HB   ALA  89          3HB       ALA  89  -4.858  -5.640   6.754
  455    H    GLU  90           H        GLU  90  -5.767  -6.664   4.399
  456    HA   GLU  90           HA       GLU  90  -6.423  -9.440   4.794
  457   1HB   GLU  90          1HB       GLU  90  -7.981  -7.625   4.984
  458   2HB   GLU  90          2HB       GLU  90  -7.773  -7.153   3.312
  459   1HG   GLU  90          1HG       GLU  90  -8.703  -9.973   3.882
  460   2HG   GLU  90          2HG       GLU  90  -9.824  -8.632   4.142
  461    H    LYS  91           H        LYS  91  -4.553  -7.893   2.309
  462    HA   LYS  91           HA       LYS  91  -5.591  -9.410   0.079
  463   1HB   LYS  91          1HB       LYS  91  -4.319  -7.045   0.477
  464   2HB   LYS  91          2HB       LYS  91  -2.947  -7.973  -0.078
  465   1HG   LYS  91          1HG       LYS  91  -5.655  -7.584  -1.466
  466   2HG   LYS  91          2HG       LYS  91  -4.205  -6.621  -1.746
  467   1HD   LYS  91          1HD       LYS  91  -4.453  -9.589  -2.395
  468   2HD   LYS  91          2HD       LYS  91  -4.583  -8.237  -3.526
  469   1HE   LYS  91          1HE       LYS  91  -2.231  -7.523  -2.598
  470   2HE   LYS  91          2HE       LYS  91  -2.108  -9.174  -1.990
  471   1HZ   LYS  91          1HZ       LYS  91  -2.231  -9.964  -4.215
  472   2HZ   LYS  91          2HZ       LYS  91  -2.720  -8.515  -4.828
  473   3HZ   LYS  91          3HZ       LYS  91  -1.195  -8.691  -4.297
  474    H    LYS  92           H        LYS  92  -3.615 -10.333   2.506
  475    HA   LYS  92           HA       LYS  92  -1.161 -10.974   1.340
  476   1HB   LYS  92          1HB       LYS  92  -0.697 -11.849   3.509
  477   2HB   LYS  92          2HB       LYS  92  -1.520 -10.274   3.516
  478   1HG   LYS  92          1HG       LYS  92  -3.653 -11.338   4.187
  479   2HG   LYS  92          2HG       LYS  92  -2.945 -12.943   3.981
  480   1HD   LYS  92          1HD       LYS  92  -1.353 -12.468   5.812
  481   2HD   LYS  92          2HD       LYS  92  -2.086 -10.858   6.025
  482   1HE   LYS  92          1HE       LYS  92  -4.214 -11.786   6.658
  483   2HE   LYS  92          2HE       LYS  92  -3.712 -13.430   6.218
  484   1HZ   LYS  92          1HZ       LYS  92  -2.541 -11.835   8.398
  485   2HZ   LYS  92          2HZ       LYS  92  -3.623 -13.066   8.582
  486   3HZ   LYS  92          3HZ       LYS  92  -2.119 -13.374   7.990
  487    HHA  HEC  93           HHA      HEC  93   8.692  -0.280   0.213
  488    HHB  HEC  93           HHB      HEC  93   2.263  -0.036   0.673
  489    HHC  HEC  93           HHC      HEC  93   2.275   4.214  -4.163
  490    HHD  HEC  93           HHD      HEC  93   8.559   3.364  -4.961
  491   1HMA  HEC  93          1HMA      HEC  93   3.940  -2.429   2.148
  492   2HMA  HEC  93          2HMA      HEC  93   4.636  -1.408   3.426
  493   3HMA  HEC  93          3HMA      HEC  93   3.141  -0.915   2.635
  494   1HAA  HEC  93          1HAA      HEC  93   6.893  -1.792   3.064
  495   2HAA  HEC  93          2HAA      HEC  93   8.065  -0.670   2.457
  496   1HBA  HEC  93          1HBA      HEC  93   7.839  -2.282   0.324
  497   2HBA  HEC  93          2HBA      HEC  93   7.385  -3.460   1.557
  498   1HMB  HEC  93          1HMB      HEC  93  -0.805   1.022  -1.238
  499   2HMB  HEC  93          2HMB      HEC  93   0.298  -0.284  -0.841
  500   3HMB  HEC  93          3HMB      HEC  93   0.005   0.998   0.344
  501    HAB  HEC  93           HAB      HEC  93   0.355   4.126  -3.384
  502   1HBB  HEC  93          1HBB      HEC  93  -1.189   3.191  -0.950
  503   2HBB  HEC  93          2HBB      HEC  93  -0.259   4.685  -1.117
  504   3HBB  HEC  93          3HBB      HEC  93  -1.688   4.414  -2.129
  505   1HMC  HEC  93          1HMC      HEC  93   3.171   6.020  -5.536
  506   2HMC  HEC  93          2HMC      HEC  93   4.247   5.851  -6.928
  507   3HMC  HEC  93          3HMC      HEC  93   3.053   4.602  -6.600
  508    HAC  HEC  93           HAC      HEC  93   7.890   4.458  -6.589
  509   1HBC  HEC  93          1HBC      HEC  93   7.645   6.687  -5.782
  510   2HBC  HEC  93          2HBC      HEC  93   7.622   6.666  -7.551
  511   3HBC  HEC  93          3HBC      HEC  93   6.118   6.913  -6.644
  512   1HMD  HEC  93          1HMD      HEC  93  10.160   1.903  -5.152
  513   2HMD  HEC  93          2HMD      HEC  93  11.294   2.649  -3.989
  514   3HMD  HEC  93          3HMD      HEC  93  11.207   0.880  -4.190
  515   1HAD  HEC  93          1HAD      HEC  93  10.915  -0.626  -1.346
  516   2HAD  HEC  93          2HAD      HEC  93  10.654   0.510  -0.134
  517   1HBD  HEC  93          1HBD      HEC  93  12.724   1.105  -0.380
  518   2HBD  HEC  93          2HBD      HEC  93  11.943   2.275  -1.412
  Start of MODEL   28
    1   1H    VAL  22          1H        VAL  22 -14.424   4.311  -0.216
    2   2H    VAL  22          2H        VAL  22 -13.391   4.474   1.062
    3   3H    VAL  22          3H        VAL  22 -14.174   5.813   0.447
    4    HA   VAL  22           HA       VAL  22 -13.055   5.473  -1.640
    5    HB   VAL  22           HB       VAL  22 -10.939   5.593   0.549
    6   1HG1  VAL  22          1HG1      VAL  22 -11.260   6.954  -2.173
    7   2HG1  VAL  22          2HG1      VAL  22  -9.891   7.148  -1.068
    8   3HG1  VAL  22          3HG1      VAL  22 -10.204   5.574  -1.824
    9   1HG2  VAL  22          1HG2      VAL  22 -12.819   7.831  -0.324
   10   2HG2  VAL  22          2HG2      VAL  22 -12.685   7.130   1.311
   11   3HG2  VAL  22          3HG2      VAL  22 -11.337   8.040   0.630
   12    H    ASP  23           H        ASP  23 -12.927   3.640  -2.752
   13    HA   ASP  23           HA       ASP  23 -12.718   1.183  -1.615
   14   1HB   ASP  23          1HB       ASP  23 -12.473   2.009  -4.529
   15   2HB   ASP  23          2HB       ASP  23 -12.909   0.396  -3.943
   16    H    ALA  24           H        ALA  24 -10.994   0.302  -0.743
   17    HA   ALA  24           HA       ALA  24  -8.498   1.337  -0.838
   18   1HB   ALA  24          1HB       ALA  24  -9.227  -1.533  -0.211
   19   2HB   ALA  24          2HB       ALA  24  -7.749  -0.662   0.291
   20   3HB   ALA  24          3HB       ALA  24  -9.336  -0.171   0.921
   21    H    GLU  25           H        GLU  25  -9.540  -1.618  -2.632
   22    HA   GLU  25           HA       GLU  25  -6.996  -1.998  -3.836
   23   1HB   GLU  25          1HB       GLU  25  -7.861  -3.694  -5.021
   24   2HB   GLU  25          2HB       GLU  25  -9.095  -3.606  -3.764
   25   1HG   GLU  25          1HG       GLU  25 -10.494  -2.241  -5.352
   26   2HG   GLU  25          2HG       GLU  25  -9.237  -2.479  -6.612
   27    H    ALA  26           H        ALA  26  -9.821   0.016  -4.790
   28    HA   ALA  26           HA       ALA  26  -8.900   0.615  -7.409
   29   1HB   ALA  26          1HB       ALA  26 -10.609   2.429  -5.682
   30   2HB   ALA  26          2HB       ALA  26 -10.515   2.372  -7.444
   31   3HB   ALA  26          3HB       ALA  26 -11.235   1.008  -6.562
   32    H    VAL  27           H        VAL  27  -8.493   2.364  -4.303
   33    HA   VAL  27           HA       VAL  27  -6.703   4.475  -5.125
   34    HB   VAL  27           HB       VAL  27  -6.690   2.757  -2.601
   35   1HG1  VAL  27          1HG1      VAL  27  -5.376   4.565  -1.592
   36   2HG1  VAL  27          2HG1      VAL  27  -4.480   3.826  -2.914
   37   3HG1  VAL  27          3HG1      VAL  27  -5.277   5.394  -3.156
   38   1HG2  VAL  27          1HG2      VAL  27  -8.778   4.090  -2.980
   39   2HG2  VAL  27          2HG2      VAL  27  -7.851   4.588  -1.560
   40   3HG2  VAL  27          3HG2      VAL  27  -7.781   5.557  -3.051
   41    H    VAL  28           H        VAL  28  -5.855   1.120  -4.002
   42    HA   VAL  28           HA       VAL  28  -3.195   1.724  -4.557
   43    HB   VAL  28           HB       VAL  28  -4.711  -0.834  -3.983
   44   1HG1  VAL  28          1HG1      VAL  28  -2.963  -1.870  -4.961
   45   2HG1  VAL  28          2HG1      VAL  28  -1.844  -0.533  -4.689
   46   3HG1  VAL  28          3HG1      VAL  28  -2.219  -1.608  -3.363
   47   1HG2  VAL  28          1HG2      VAL  28  -2.772   0.049  -1.994
   48   2HG2  VAL  28          2HG2      VAL  28  -3.818   1.395  -2.423
   49   3HG2  VAL  28          3HG2      VAL  28  -4.539  -0.110  -1.873
   50    H    GLN  29           H        GLN  29  -5.468   0.090  -6.526
   51    HA   GLN  29           HA       GLN  29  -3.857  -0.552  -8.792
   52   1HB   GLN  29          1HB       GLN  29  -6.840  -0.317  -8.253
   53   2HB   GLN  29          2HB       GLN  29  -6.264  -0.847  -9.797
   54   1HG   GLN  29          1HG       GLN  29  -5.620  -2.249  -7.181
   55   2HG   GLN  29          2HG       GLN  29  -6.806  -2.767  -8.387
   56   1HE2  GLN  29          1HE2      GLN  29  -4.260  -4.115  -7.365
   57   2HE2  GLN  29          2HE2      GLN  29  -3.263  -4.330  -8.801
   58    H    GLN  30           H        GLN  30  -4.685   2.521  -7.675
   59    HA   GLN  30           HA       GLN  30  -3.893   3.504 -10.383
   60   1HB   GLN  30          1HB       GLN  30  -6.350   3.999  -9.144
   61   2HB   GLN  30          2HB       GLN  30  -5.423   5.453  -8.777
   62   1HG   GLN  30          1HG       GLN  30  -5.805   4.193 -11.544
   63   2HG   GLN  30          2HG       GLN  30  -6.757   5.540 -10.916
   64   1HE2  GLN  30          1HE2      GLN  30  -5.360   7.491 -10.106
   65   2HE2  GLN  30          2HE2      GLN  30  -4.016   7.910 -11.159
   66    H    LYS  31           H        LYS  31  -3.246   3.623  -6.951
   67    HA   LYS  31           HA       LYS  31  -1.437   5.959  -7.309
   68   1HB   LYS  31          1HB       LYS  31  -3.551   5.244  -5.405
   69   2HB   LYS  31          2HB       LYS  31  -2.082   5.619  -4.570
   70   1HG   LYS  31          1HG       LYS  31  -1.974   7.806  -5.639
   71   2HG   LYS  31          2HG       LYS  31  -3.278   7.363  -6.766
   72   1HD   LYS  31          1HD       LYS  31  -4.883   7.165  -4.934
   73   2HD   LYS  31          2HD       LYS  31  -3.623   7.487  -3.732
   74   1HE   LYS  31          1HE       LYS  31  -3.317   9.751  -4.519
   75   2HE   LYS  31          2HE       LYS  31  -4.387   9.484  -5.914
   76   1HZ   LYS  31          1HZ       LYS  31  -5.437  10.633  -3.960
   77   2HZ   LYS  31          2HZ       LYS  31  -6.220   9.256  -4.442
   78   3HZ   LYS  31          3HZ       LYS  31  -5.320   9.201  -3.131
   79    H    CYS  32           H        CYS  32  -1.370   2.539  -6.505
   80    HA   CYS  32           HA       CYS  32   1.424   2.925  -5.484
   81   1HB   CYS  32          1HB       CYS  32  -0.076   0.402  -5.123
   82   2HB   CYS  32          2HB       CYS  32   1.221   1.039  -4.156
   83    H    ILE  33           H        ILE  33  -0.646   0.918  -7.600
   84    HA   ILE  33           HA       ILE  33   1.343  -0.753  -8.583
   85    HB   ILE  33           HB       ILE  33   0.021  -1.011 -10.593
   86   1HG1  ILE  33          1HG1      ILE  33  -1.942   1.066  -9.587
   87   2HG1  ILE  33          2HG1      ILE  33  -0.720   1.410 -10.814
   88   1HG2  ILE  33          1HG2      ILE  33  -1.659  -0.978  -8.065
   89   2HG2  ILE  33          2HG2      ILE  33  -1.969  -1.943  -9.513
   90   3HG2  ILE  33          3HG2      ILE  33  -0.516  -2.243  -8.555
   91   1HD1  ILE  33          1HD1      ILE  33  -2.921  -0.653 -11.101
   92   2HD1  ILE  33          2HD1      ILE  33  -2.706   0.865 -11.993
   93   3HD1  ILE  33          3HD1      ILE  33  -1.558  -0.458 -12.223
   94    H    SER  34           H        SER  34   0.791   2.596  -9.366
   95    HA   SER  34           HA       SER  34   2.245   3.182 -11.590
   96   1HB   SER  34          1HB       SER  34   2.261   4.532  -8.862
   97   2HB   SER  34          2HB       SER  34   3.030   5.231 -10.294
   98    HG   SER  34           HG       SER  34   0.307   4.423 -10.339
   99    H    CYS  35           H        CYS  35   3.668   2.159  -8.449
  100    HA   CYS  35           HA       CYS  35   6.295   1.877  -9.866
  101   1HB   CYS  35          1HB       CYS  35   6.118   2.237  -6.874
  102   2HB   CYS  35          2HB       CYS  35   7.494   2.390  -7.948
  103    H    HIS  36           H        HIS  36   4.032   0.471  -7.440
  104    HA   HIS  36           HA       HIS  36   5.671  -1.863  -7.081
  105   1HB   HIS  36          1HB       HIS  36   2.823  -1.236  -6.253
  106   2HB   HIS  36          2HB       HIS  36   3.671  -2.729  -5.863
  107    HD1  HIS  36           1HD      HIS  36   5.759  -2.632  -4.160
  108    HD2  HIS  36           2HD      HIS  36   3.638   0.979  -4.772
  109    HE1  HIS  36           1HE      HIS  36   6.407  -1.055  -2.279
  110    H    GLY  37           H        GLY  37   3.470  -1.117  -9.656
  111   1HA   GLY  37          1HA       GLY  37   4.146  -2.386 -11.584
  112   2HA   GLY  37          2HA       GLY  37   3.902  -3.898 -10.708
  113    H    GLY  38           H        GLY  38   1.750  -4.573 -10.261
  114   1HA   GLY  38          1HA       GLY  38  -0.594  -3.147 -11.330
  115   2HA   GLY  38          2HA       GLY  38  -0.101  -4.580 -12.249
  116    H    ASP  39           H        ASP  39   0.319  -6.589 -10.888
  117    HA   ASP  39           HA       ASP  39  -1.712  -7.088  -8.901
  118   1HB   ASP  39          1HB       ASP  39   0.678  -8.712  -9.852
  119   2HB   ASP  39          2HB       ASP  39  -0.583  -9.298  -8.753
  120    H    LEU  40           H        LEU  40   0.926  -5.193  -8.554
  121    HA   LEU  40           HA       LEU  40   2.100  -4.363  -6.766
  122   1HB   LEU  40          1HB       LEU  40   0.352  -6.082  -5.006
  123   2HB   LEU  40          2HB       LEU  40   1.204  -4.612  -4.586
  124    HG   LEU  40           HG       LEU  40  -0.869  -4.453  -6.814
  125   1HD1  LEU  40          1HD1      LEU  40  -2.625  -4.110  -5.123
  126   2HD1  LEU  40          2HD1      LEU  40  -2.005  -5.766  -5.145
  127   3HD1  LEU  40          3HD1      LEU  40  -1.475  -4.658  -3.866
  128   1HD2  LEU  40          1HD2      LEU  40  -0.329  -2.507  -4.610
  129   2HD2  LEU  40          2HD2      LEU  40   0.669  -2.537  -6.085
  130   3HD2  LEU  40          3HD2      LEU  40  -1.072  -2.244  -6.191
  131    H    THR  41           H        THR  41   2.722  -6.990  -8.153
  132    HA   THR  41           HA       THR  41   4.081  -8.687  -6.310
  133    HB   THR  41           HB       THR  41   4.824  -9.546  -8.701
  134    HG1  THR  41           1HG      THR  41   3.349  -8.717 -10.292
  135   1HG2  THR  41          1HG2      THR  41   3.080 -10.638  -7.333
  136   2HG2  THR  41          2HG2      THR  41   1.890  -9.426  -7.833
  137   3HG2  THR  41          3HG2      THR  41   2.558 -10.558  -9.026
  138    H    GLY  42           H        GLY  42   4.929  -5.619  -7.702
  139   1HA   GLY  42          1HA       GLY  42   6.662  -4.517  -6.700
  140   2HA   GLY  42          2HA       GLY  42   7.581  -6.007  -6.451
  141    H    ALA  43           H        ALA  43   6.414  -3.807  -9.003
  142    HA   ALA  43           HA       ALA  43   8.399  -4.741 -10.938
  143   1HB   ALA  43          1HB       ALA  43   7.539  -2.899 -12.342
  144   2HB   ALA  43          2HB       ALA  43   6.260  -3.961 -11.724
  145   3HB   ALA  43          3HB       ALA  43   6.509  -2.360 -11.000
  146    H    SER  44           H        SER  44   7.934  -1.362  -9.811
  147    HA   SER  44           HA       SER  44  10.871  -0.909  -9.988
  148   1HB   SER  44          1HB       SER  44   9.301   0.554 -11.295
  149   2HB   SER  44          2HB       SER  44   8.602   1.099  -9.755
  150    HG   SER  44           HG       SER  44  10.836   1.656  -9.181
  151    H    ALA  45           H        ALA  45   8.867  -1.999  -7.676
  152    HA   ALA  45           HA       ALA  45  10.222  -0.770  -5.383
  153   1HB   ALA  45          1HB       ALA  45   7.999  -0.294  -4.353
  154   2HB   ALA  45          2HB       ALA  45   8.216   0.663  -5.826
  155   3HB   ALA  45          3HB       ALA  45   7.202  -0.778  -5.856
  156    HA   PRO  46           HA       PRO  46   9.872  -5.067  -4.358
  157   1HB   PRO  46          1HB       PRO  46   9.360  -5.195  -1.650
  158   2HB   PRO  46          2HB       PRO  46  10.929  -4.677  -2.334
  159   1HG   PRO  46          1HG       PRO  46   8.610  -2.922  -1.504
  160   2HG   PRO  46          2HG       PRO  46  10.315  -2.785  -0.966
  161   1HD   PRO  46          1HD       PRO  46   9.376  -1.264  -2.988
  162   2HD   PRO  46          2HD       PRO  46  10.979  -2.027  -3.176
  163    H    ALA  47           H        ALA  47   8.427  -6.768  -3.580
  164    HA   ALA  47           HA       ALA  47   5.808  -6.418  -4.639
  165   1HB   ALA  47          1HB       ALA  47   5.568  -8.748  -4.217
  166   2HB   ALA  47          2HB       ALA  47   7.272  -8.523  -4.635
  167   3HB   ALA  47          3HB       ALA  47   6.812  -8.736  -2.940
  168    H    ILE  48           H        ILE  48   4.132  -5.472  -3.597
  169    HA   ILE  48           HA       ILE  48   3.939  -5.835  -0.644
  170    HB   ILE  48           HB       ILE  48   2.680  -3.770  -0.391
  171   1HG1  ILE  48          1HG1      ILE  48   3.332  -1.947  -2.138
  172   2HG1  ILE  48          2HG1      ILE  48   3.394  -3.285  -3.288
  173   1HG2  ILE  48          1HG2      ILE  48   5.429  -3.452  -1.582
  174   2HG2  ILE  48          2HG2      ILE  48   4.612  -2.382  -0.417
  175   3HG2  ILE  48          3HG2      ILE  48   5.073  -4.014   0.083
  176   1HD1  ILE  48          1HD1      ILE  48   1.101  -2.234  -1.561
  177   2HD1  ILE  48          2HD1      ILE  48   1.275  -2.086  -3.301
  178   3HD1  ILE  48          3HD1      ILE  48   0.925  -3.689  -2.573
  179    H    ASP  49           H        ASP  49   2.708  -6.932  -3.465
  180    HA   ASP  49           HA       ASP  49   0.067  -7.560  -3.204
  181   1HB   ASP  49          1HB       ASP  49   0.694  -9.785  -4.021
  182   2HB   ASP  49          2HB       ASP  49   1.658  -8.563  -4.842
  183    H    LYS  50           H        LYS  50   2.690  -8.879  -1.293
  184    HA   LYS  50           HA       LYS  50   0.838 -10.365   0.499
  185   1HB   LYS  50          1HB       LYS  50   2.674 -11.804   0.947
  186   2HB   LYS  50          2HB       LYS  50   2.581 -11.566  -0.805
  187   1HG   LYS  50          1HG       LYS  50   4.425  -9.775  -0.528
  188   2HG   LYS  50          2HG       LYS  50   4.506 -10.251   1.144
  189   1HD   LYS  50          1HD       LYS  50   5.878 -11.928   0.675
  190   2HD   LYS  50          2HD       LYS  50   4.634 -12.707  -0.293
  191   1HE   LYS  50          1HE       LYS  50   6.735 -10.710  -1.231
  192   2HE   LYS  50          2HE       LYS  50   6.651 -12.429  -1.628
  193   1HZ   LYS  50          1HZ       LYS  50   5.801 -11.166  -3.458
  194   2HZ   LYS  50          2HZ       LYS  50   4.441 -11.800  -2.805
  195   3HZ   LYS  50          3HZ       LYS  50   4.809 -10.296  -2.520
  196    H    ALA  51           H        ALA  51   2.003  -7.340   0.588
  197    HA   ALA  51           HA       ALA  51   3.689  -7.091   2.791
  198   1HB   ALA  51          1HB       ALA  51   1.487  -5.259   1.787
  199   2HB   ALA  51          2HB       ALA  51   2.675  -4.793   3.020
  200   3HB   ALA  51          3HB       ALA  51   3.214  -5.218   1.386
  201    H    GLY  52           H        GLY  52   0.080  -7.521   2.815
  202   1HA   GLY  52          1HA       GLY  52  -0.343  -7.120   5.548
  203   2HA   GLY  52          2HA       GLY  52  -1.241  -8.239   4.489
  204    H    ALA  53           H        ALA  53   1.113  -9.958   3.949
  205    HA   ALA  53           HA       ALA  53   1.006 -11.647   6.332
  206   1HB   ALA  53          1HB       ALA  53   2.481 -13.125   5.081
  207   2HB   ALA  53          2HB       ALA  53   1.129 -12.632   4.051
  208   3HB   ALA  53          3HB       ALA  53   2.731 -11.899   3.830
  209    H    ASN  54           H        ASN  54   3.428  -9.577   4.693
  210    HA   ASN  54           HA       ASN  54   5.555 -10.305   6.538
  211   1HB   ASN  54          1HB       ASN  54   5.292  -8.135   4.426
  212   2HB   ASN  54          2HB       ASN  54   6.722  -8.307   5.446
  213   1HD2  ASN  54          1HD2      ASN  54   8.080 -10.207   5.275
  214   2HD2  ASN  54          2HD2      ASN  54   7.978 -11.190   3.822
  215    H    TYR  55           H        TYR  55   3.193  -7.674   6.423
  216    HA   TYR  55           HA       TYR  55   4.351  -6.420   8.860
  217   1HB   TYR  55          1HB       TYR  55   3.408  -4.852   6.444
  218   2HB   TYR  55          2HB       TYR  55   4.305  -4.269   7.842
  219    HD1  TYR  55           1HD      TYR  55   4.640  -4.783   4.463
  220    HD2  TYR  55           2HD      TYR  55   6.676  -5.712   8.149
  221    HE1  TYR  55           1HE      TYR  55   6.777  -4.998   3.227
  222    HE2  TYR  55           2HE      TYR  55   8.796  -6.006   6.890
  223    HH   TYR  55           HH       TYR  55   9.160  -5.137   3.498
  224    H    SER  56           H        SER  56   2.802  -5.178  10.030
  225    HA   SER  56           HA       SER  56   0.048  -6.206   9.746
  226   1HB   SER  56          1HB       SER  56   1.415  -4.566  11.922
  227   2HB   SER  56          2HB       SER  56  -0.216  -5.255  12.026
  228    HG   SER  56           HG       SER  56   2.256  -6.619  11.677
  229    H    GLU  57           H        GLU  57  -1.797  -4.717   9.941
  230    HA   GLU  57           HA       GLU  57  -1.801  -2.925   7.838
  231   1HB   GLU  57          1HB       GLU  57  -4.024  -2.298   8.485
  232   2HB   GLU  57          2HB       GLU  57  -3.809  -4.011   8.722
  233   1HG   GLU  57          1HG       GLU  57  -4.791  -3.690  10.682
  234   2HG   GLU  57          2HG       GLU  57  -3.229  -3.122  11.269
  235    H    GLU  58           H        GLU  58  -1.429  -2.124  11.290
  236    HA   GLU  58           HA       GLU  58  -1.164   0.613  11.218
  237   1HB   GLU  58          1HB       GLU  58   0.180   0.301  13.288
  238   2HB   GLU  58          2HB       GLU  58  -1.259  -0.718  13.222
  239   1HG   GLU  58          1HG       GLU  58   0.431  -2.542  12.244
  240   2HG   GLU  58          2HG       GLU  58   1.640  -1.520  13.034
  241    H    GLU  59           H        GLU  59   1.434  -1.771  10.514
  242    HA   GLU  59           HA       GLU  59   3.554   0.151  10.238
  243   1HB   GLU  59          1HB       GLU  59   3.217  -2.655   9.076
  244   2HB   GLU  59          2HB       GLU  59   4.728  -1.754   9.127
  245   1HG   GLU  59          1HG       GLU  59   4.657  -1.738  11.601
  246   2HG   GLU  59          2HG       GLU  59   3.138  -2.649  11.573
  247    H    ILE  60           H        ILE  60   1.316  -1.441   8.000
  248    HA   ILE  60           HA       ILE  60   2.479  -0.400   5.576
  249    HB   ILE  60           HB       ILE  60  -0.323  -1.427   6.114
  250   1HG1  ILE  60          1HG1      ILE  60   2.105  -2.885   4.967
  251   2HG1  ILE  60          2HG1      ILE  60   1.529  -3.063   6.623
  252   1HG2  ILE  60          1HG2      ILE  60  -0.509  -1.781   3.705
  253   2HG2  ILE  60          2HG2      ILE  60  -0.159  -0.093   4.033
  254   3HG2  ILE  60          3HG2      ILE  60   1.137  -1.157   3.455
  255   1HD1  ILE  60          1HD1      ILE  60  -0.686  -3.861   5.739
  256   2HD1  ILE  60          2HD1      ILE  60   0.064  -3.933   4.124
  257   3HD1  ILE  60          3HD1      ILE  60   0.705  -4.919   5.443
  258    H    LEU  61           H        LEU  61  -0.316   0.567   7.562
  259    HA   LEU  61           HA       LEU  61  -1.229   2.847   6.287
  260   1HB   LEU  61          1HB       LEU  61  -2.213   1.761   8.291
  261   2HB   LEU  61          2HB       LEU  61  -0.892   2.306   9.278
  262    HG   LEU  61           HG       LEU  61  -1.502   4.640   9.011
  263   1HD1  LEU  61          1HD1      LEU  61  -2.443   4.698   6.789
  264   2HD1  LEU  61          2HD1      LEU  61  -3.718   3.548   7.248
  265   3HD1  LEU  61          3HD1      LEU  61  -3.713   5.196   7.913
  266   1HD2  LEU  61          1HD2      LEU  61  -2.504   3.310  10.829
  267   2HD2  LEU  61          2HD2      LEU  61  -3.623   4.563  10.260
  268   3HD2  LEU  61          3HD2      LEU  61  -3.863   2.871   9.772
  269    H    ASP  62           H        ASP  62   1.266   2.626   8.882
  270    HA   ASP  62           HA       ASP  62   1.893   5.396   8.857
  271   1HB   ASP  62          1HB       ASP  62   2.583   3.867  10.670
  272   2HB   ASP  62          2HB       ASP  62   3.738   3.085   9.576
  273    H    ILE  63           H        ILE  63   3.257   2.650   7.029
  274    HA   ILE  63           HA       ILE  63   5.361   4.208   5.814
  275    HB   ILE  63           HB       ILE  63   4.133   1.500   5.361
  276   1HG1  ILE  63          1HG1      ILE  63   6.978   2.547   5.744
  277   2HG1  ILE  63          2HG1      ILE  63   5.916   1.915   7.011
  278   1HG2  ILE  63          1HG2      ILE  63   5.585   1.108   3.404
  279   2HG2  ILE  63          2HG2      ILE  63   4.260   2.199   3.067
  280   3HG2  ILE  63          3HG2      ILE  63   5.911   2.846   3.294
  281   1HD1  ILE  63          1HD1      ILE  63   7.427   0.169   6.457
  282   2HD1  ILE  63          2HD1      ILE  63   5.875  -0.291   5.726
  283   3HD1  ILE  63          3HD1      ILE  63   7.190   0.378   4.722
  284    H    ILE  64           H        ILE  64   2.017   3.506   4.725
  285    HA   ILE  64           HA       ILE  64   2.241   4.826   2.194
  286    HB   ILE  64           HB       ILE  64  -0.106   4.500   4.096
  287   1HG1  ILE  64          1HG1      ILE  64   0.469   3.072   1.474
  288   2HG1  ILE  64          2HG1      ILE  64   1.094   2.456   3.003
  289   1HG2  ILE  64          1HG2      ILE  64  -1.542   5.017   2.128
  290   2HG2  ILE  64          2HG2      ILE  64  -0.583   6.403   2.610
  291   3HG2  ILE  64          3HG2      ILE  64  -0.093   5.448   1.195
  292   1HD1  ILE  64          1HD1      ILE  64  -0.964   1.342   2.595
  293   2HD1  ILE  64          2HD1      ILE  64  -1.242   2.452   3.941
  294   3HD1  ILE  64          3HD1      ILE  64  -1.822   2.866   2.313
  295    H    LEU  65           H        LEU  65   1.277   6.038   5.427
  296    HA   LEU  65           HA       LEU  65   0.853   8.732   4.592
  297   1HB   LEU  65          1HB       LEU  65   1.504   7.487   7.275
  298   2HB   LEU  65          2HB       LEU  65   1.076   9.186   7.080
  299    HG   LEU  65           HG       LEU  65  -0.824   6.987   6.087
  300   1HD1  LEU  65          1HD1      LEU  65  -1.958   7.159   8.257
  301   2HD1  LEU  65          2HD1      LEU  65  -0.299   6.573   8.481
  302   3HD1  LEU  65          3HD1      LEU  65  -0.698   8.258   8.861
  303   1HD2  LEU  65          1HD2      LEU  65  -1.214   9.876   7.005
  304   2HD2  LEU  65          2HD2      LEU  65  -1.233   9.305   5.322
  305   3HD2  LEU  65          3HD2      LEU  65  -2.480   8.759   6.466
  306    H    ASN  66           H        ASN  66   3.760   7.054   5.718
  307    HA   ASN  66           HA       ASN  66   5.292   9.554   6.034
  308   1HB   ASN  66          1HB       ASN  66   5.802   6.640   6.751
  309   2HB   ASN  66          2HB       ASN  66   7.051   7.853   6.841
  310   1HD2  ASN  66          1HD2      ASN  66   3.777   7.186   7.972
  311   2HD2  ASN  66          2HD2      ASN  66   4.113   7.556   9.622
  312    H    GLY  67           H        GLY  67   5.759   6.401   4.331
  313   1HA   GLY  67          1HA       GLY  67   6.648   6.629   1.969
  314   2HA   GLY  67          2HA       GLY  67   7.956   7.579   2.701
  315    H    GLN  68           H        GLN  68   9.107   5.741   1.595
  316    HA   GLN  68           HA       GLN  68  10.283   4.112   3.583
  317   1HB   GLN  68          1HB       GLN  68   8.471   2.322   2.975
  318   2HB   GLN  68          2HB       GLN  68   8.842   2.663   1.304
  319   1HG   GLN  68          1HG       GLN  68   9.830   0.616   2.026
  320   2HG   GLN  68          2HG       GLN  68  11.133   1.735   1.624
  321   1HE2  GLN  68          1HE2      GLN  68  10.723  -0.779   3.393
  322   2HE2  GLN  68          2HE2      GLN  68  11.590  -0.282   4.847
  323    H    GLY  69           H        GLY  69  12.465   4.349   2.909
  324   1HA   GLY  69          1HA       GLY  69  14.238   4.887   1.522
  325   2HA   GLY  69          2HA       GLY  69  13.576   3.584   0.531
  326    H    GLY  70           H        GLY  70  13.055   4.146  -1.597
  327   1HA   GLY  70          1HA       GLY  70  13.290   6.905  -2.464
  328   2HA   GLY  70          2HA       GLY  70  12.923   5.474  -3.433
  329    H    MET  71           H        MET  71  10.603   5.035  -1.306
  330    HA   MET  71           HA       MET  71   8.527   6.022  -2.993
  331   1HB   MET  71          1HB       MET  71   8.487   3.995  -1.530
  332   2HB   MET  71          2HB       MET  71   8.424   5.021  -0.132
  333   1HG   MET  71          1HG       MET  71   6.318   5.881  -0.608
  334   2HG   MET  71          2HG       MET  71   6.224   5.110  -2.192
  335   1HE   MET  71          1HE       MET  71   3.820   3.430   0.771
  336   2HE   MET  71          2HE       MET  71   4.591   5.015   0.988
  337   3HE   MET  71          3HE       MET  71   3.779   4.620  -0.549
  338    HA   PRO  72           HA       PRO  72   8.834  10.151  -1.225
  339   1HB   PRO  72          1HB       PRO  72   6.592  11.346  -2.303
  340   2HB   PRO  72          2HB       PRO  72   8.074  10.986  -3.238
  341   1HG   PRO  72          1HG       PRO  72   5.553   9.329  -3.060
  342   2HG   PRO  72          2HG       PRO  72   6.444   9.803  -4.533
  343   1HD   PRO  72          1HD       PRO  72   6.813   7.370  -3.421
  344   2HD   PRO  72          2HD       PRO  72   8.223   8.283  -4.054
  345    H    GLY  73           H        GLY  73   5.813   8.314  -0.981
  346   1HA   GLY  73          1HA       GLY  73   4.615   7.826   0.930
  347   2HA   GLY  73          2HA       GLY  73   5.664   8.907   1.860
  348    H    GLY  74           H        GLY  74   3.050   8.860   2.347
  349   1HA   GLY  74          1HA       GLY  74   1.282  10.253   2.749
  350   2HA   GLY  74          2HA       GLY  74   2.275  11.598   2.142
  351    H    ILE  75           H        ILE  75   1.762   8.834   0.144
  352    HA   ILE  75           HA       ILE  75   0.630  10.228  -2.077
  353    HB   ILE  75           HB       ILE  75   1.093   7.314  -1.345
  354   1HG1  ILE  75          1HG1      ILE  75   2.536   8.750  -3.564
  355   2HG1  ILE  75          2HG1      ILE  75   2.985   9.178  -1.914
  356   1HG2  ILE  75          1HG2      ILE  75  -0.698   7.234  -2.975
  357   2HG2  ILE  75          2HG2      ILE  75   0.136   8.406  -4.019
  358   3HG2  ILE  75          3HG2      ILE  75   0.803   6.782  -3.776
  359   1HD1  ILE  75          1HD1      ILE  75   4.369   7.319  -2.878
  360   2HD1  ILE  75          2HD1      ILE  75   3.551   6.910  -1.355
  361   3HD1  ILE  75          3HD1      ILE  75   2.911   6.318  -2.900
  362    H    ALA  76           H        ALA  76  -0.710   8.385   0.615
  363    HA   ALA  76           HA       ALA  76  -3.425   9.212  -0.136
  364   1HB   ALA  76          1HB       ALA  76  -4.180   6.931   0.796
  365   2HB   ALA  76          2HB       ALA  76  -3.471   6.898  -0.835
  366   3HB   ALA  76          3HB       ALA  76  -2.518   6.382   0.567
  367    H    LYS  77           H        LYS  77  -4.702   9.552   1.848
  368    HA   LYS  77           HA       LYS  77  -3.341   9.158   4.381
  369   1HB   LYS  77          1HB       LYS  77  -4.045  11.679   4.876
  370   2HB   LYS  77          2HB       LYS  77  -2.447  11.199   4.324
  371   1HG   LYS  77          1HG       LYS  77  -4.366  11.879   2.129
  372   2HG   LYS  77          2HG       LYS  77  -4.007  13.205   3.222
  373   1HD   LYS  77          1HD       LYS  77  -1.817  11.486   2.019
  374   2HD   LYS  77          2HD       LYS  77  -2.424  12.925   1.203
  375   1HE   LYS  77          1HE       LYS  77  -1.542  14.405   2.750
  376   2HE   LYS  77          2HE       LYS  77  -1.588  13.264   4.093
  377   1HZ   LYS  77          1HZ       LYS  77   0.242  12.885   1.830
  378   2HZ   LYS  77          2HZ       LYS  77   0.655  13.759   3.192
  379   3HZ   LYS  77          3HZ       LYS  77   0.267  12.169   3.309
  380    H    GLY  78           H        GLY  78  -4.636   9.731   6.242
  381   1HA   GLY  78          1HA       GLY  78  -6.483   9.302   7.491
  382   2HA   GLY  78          2HA       GLY  78  -7.351  10.282   6.292
  383    H    ALA  79           H        ALA  79  -9.194   9.078   6.118
  384    HA   ALA  79           HA       ALA  79  -9.787   6.476   6.103
  385   1HB   ALA  79          1HB       ALA  79 -11.422   8.260   5.760
  386   2HB   ALA  79          2HB       ALA  79 -10.851   8.490   4.090
  387   3HB   ALA  79          3HB       ALA  79 -11.631   6.966   4.565
  388    H    GLU  80           H        GLU  80  -8.117   8.098   3.385
  389    HA   GLU  80           HA       GLU  80  -8.412   5.942   1.508
  390   1HB   GLU  80          1HB       GLU  80  -7.818   8.411   1.069
  391   2HB   GLU  80          2HB       GLU  80  -6.183   8.003   1.598
  392   1HG   GLU  80          1HG       GLU  80  -6.095   6.253  -0.198
  393   2HG   GLU  80          2HG       GLU  80  -7.702   6.759  -0.717
  394    H    ALA  81           H        ALA  81  -5.668   6.934   3.709
  395    HA   ALA  81           HA       ALA  81  -4.064   4.665   2.936
  396   1HB   ALA  81          1HB       ALA  81  -3.111   6.802   3.724
  397   2HB   ALA  81          2HB       ALA  81  -3.804   6.514   5.338
  398   3HB   ALA  81          3HB       ALA  81  -2.562   5.420   4.673
  399    H    GLU  82           H        GLU  82  -6.339   5.387   5.599
  400    HA   GLU  82           HA       GLU  82  -5.952   3.061   7.189
  401   1HB   GLU  82          1HB       GLU  82  -8.430   4.712   6.591
  402   2HB   GLU  82          2HB       GLU  82  -8.321   3.527   7.888
  403   1HG   GLU  82          1HG       GLU  82  -6.781   4.812   9.131
  404   2HG   GLU  82          2HG       GLU  82  -6.317   5.811   7.755
  405    H    ALA  83           H        ALA  83  -8.273   3.672   4.497
  406    HA   ALA  83           HA       ALA  83  -9.373   1.089   4.356
  407   1HB   ALA  83          1HB       ALA  83 -10.019   1.691   2.060
  408   2HB   ALA  83          2HB       ALA  83 -10.316   3.026   3.175
  409   3HB   ALA  83          3HB       ALA  83  -8.912   3.075   2.085
  410    H    VAL  84           H        VAL  84  -6.520   2.459   2.578
  411    HA   VAL  84           HA       VAL  84  -5.791   0.072   1.285
  412    HB   VAL  84           HB       VAL  84  -3.909   2.172   2.399
  413   1HG1  VAL  84          1HG1      VAL  84  -3.470  -0.117   0.430
  414   2HG1  VAL  84          2HG1      VAL  84  -2.308   1.160   0.743
  415   3HG1  VAL  84          3HG1      VAL  84  -2.695   0.012   2.014
  416   1HG2  VAL  84          1HG2      VAL  84  -5.012   1.717  -0.401
  417   2HG2  VAL  84          2HG2      VAL  84  -5.268   3.149   0.611
  418   3HG2  VAL  84          3HG2      VAL  84  -3.646   2.786  -0.013
  419    H    ALA  85           H        ALA  85  -4.714   1.209   4.554
  420    HA   ALA  85           HA       ALA  85  -2.956  -0.866   5.127
  421   1HB   ALA  85          1HB       ALA  85  -4.812   0.591   7.067
  422   2HB   ALA  85          2HB       ALA  85  -3.325  -0.269   7.474
  423   3HB   ALA  85          3HB       ALA  85  -3.258   1.178   6.442
  424    H    ALA  86           H        ALA  86  -6.439  -0.710   5.992
  425    HA   ALA  86           HA       ALA  86  -6.617  -3.308   7.114
  426   1HB   ALA  86          1HB       ALA  86  -9.049  -3.070   6.748
  427   2HB   ALA  86          2HB       ALA  86  -8.332  -1.594   7.427
  428   3HB   ALA  86          3HB       ALA  86  -8.760  -1.660   5.703
  429    H    TRP  87           H        TRP  87  -7.525  -2.259   3.773
  430    HA   TRP  87           HA       TRP  87  -8.227  -4.828   2.803
  431   1HB   TRP  87          1HB       TRP  87  -8.912  -3.021   1.522
  432   2HB   TRP  87          2HB       TRP  87  -7.328  -2.247   1.641
  433    HD1  TRP  87           HD       TRP  87  -9.154  -4.693  -0.629
  434    HE1  TRP  87           1HE      TRP  87  -7.646  -5.303  -2.597
  435    HE3  TRP  87           3HE      TRP  87  -5.107  -1.910   0.627
  436    HZ2  TRP  87           2HZ      TRP  87  -4.763  -4.790  -3.365
  437    HZ3  TRP  87           3HZ      TRP  87  -3.061  -1.922  -0.758
  438    HH2  TRP  87           HH       TRP  87  -2.862  -3.514  -2.625
  439    H    LEU  88           H        LEU  88  -5.046  -3.150   2.607
  440    HA   LEU  88           HA       LEU  88  -3.897  -5.177   1.093
  441   1HB   LEU  88          1HB       LEU  88  -2.963  -2.743   1.697
  442   2HB   LEU  88          2HB       LEU  88  -2.016  -3.674   2.851
  443    HG   LEU  88           HG       LEU  88  -2.045  -3.912  -0.202
  444   1HD1  LEU  88          1HD1      LEU  88  -0.691  -2.220   0.545
  445   2HD1  LEU  88          2HD1      LEU  88   0.174  -3.319   1.671
  446   3HD1  LEU  88          3HD1      LEU  88   0.226  -3.596  -0.097
  447   1HD2  LEU  88          1HD2      LEU  88  -0.749  -5.745  -0.289
  448   2HD2  LEU  88          2HD2      LEU  88  -0.649  -5.935   1.492
  449   3HD2  LEU  88          3HD2      LEU  88  -2.143  -6.200   0.578
  450    H    ALA  89           H        ALA  89  -4.008  -4.575   4.608
  451    HA   ALA  89           HA       ALA  89  -2.503  -6.799   5.513
  452   1HB   ALA  89          1HB       ALA  89  -3.096  -5.058   6.977
  453   2HB   ALA  89          2HB       ALA  89  -4.837  -5.425   6.840
  454   3HB   ALA  89          3HB       ALA  89  -3.734  -6.594   7.598
  455    H    GLU  90           H        GLU  90  -5.919  -6.545   4.474
  456    HA   GLU  90           HA       GLU  90  -6.488  -9.306   5.121
  457   1HB   GLU  90          1HB       GLU  90  -8.559  -8.573   4.901
  458   2HB   GLU  90          2HB       GLU  90  -7.942  -6.993   4.478
  459   1HG   GLU  90          1HG       GLU  90  -7.898  -7.794   2.038
  460   2HG   GLU  90          2HG       GLU  90  -8.776  -9.227   2.605
  461    H    LYS  91           H        LYS  91  -4.858  -7.789   2.466
  462    HA   LYS  91           HA       LYS  91  -5.589  -9.547   0.435
  463   1HB   LYS  91          1HB       LYS  91  -4.520  -7.106   0.541
  464   2HB   LYS  91          2HB       LYS  91  -3.055  -8.021   0.160
  465   1HG   LYS  91          1HG       LYS  91  -5.654  -8.013  -1.473
  466   2HG   LYS  91          2HG       LYS  91  -4.251  -6.979  -1.750
  467   1HD   LYS  91          1HD       LYS  91  -3.912  -8.669  -3.300
  468   2HD   LYS  91          2HD       LYS  91  -2.830  -9.054  -1.964
  469   1HE   LYS  91          1HE       LYS  91  -4.823 -10.652  -1.154
  470   2HE   LYS  91          2HE       LYS  91  -5.440 -10.416  -2.783
  471   1HZ   LYS  91          1HZ       LYS  91  -4.045 -12.353  -2.550
  472   2HZ   LYS  91          2HZ       LYS  91  -3.225 -11.273  -3.502
  473   3HZ   LYS  91          3HZ       LYS  91  -2.846 -11.439  -1.884
  474    H    LYS  92           H        LYS  92  -4.190 -10.798   2.850
  475    HA   LYS  92           HA       LYS  92  -1.485 -11.523   1.840
  476   1HB   LYS  92          1HB       LYS  92  -0.950 -11.730   4.019
  477   2HB   LYS  92          2HB       LYS  92  -1.993 -10.297   3.754
  478   1HG   LYS  92          1HG       LYS  92  -3.930 -11.604   4.665
  479   2HG   LYS  92          2HG       LYS  92  -2.851 -12.963   5.023
  480   1HD   LYS  92          1HD       LYS  92  -1.717 -11.748   6.761
  481   2HD   LYS  92          2HD       LYS  92  -2.204 -10.211   6.093
  482   1HE   LYS  92          1HE       LYS  92  -3.586 -10.309   7.934
  483   2HE   LYS  92          2HE       LYS  92  -4.663 -10.834   6.639
  484   1HZ   LYS  92          1HZ       LYS  92  -4.855 -12.254   8.519
  485   2HZ   LYS  92          2HZ       LYS  92  -4.176 -13.117   7.288
  486   3HZ   LYS  92          3HZ       LYS  92  -3.241 -12.578   8.538
  487    HHA  HEC  93           HHA      HEC  93   8.572  -0.066   0.391
  488    HHB  HEC  93           HHB      HEC  93   2.159   0.055   0.770
  489    HHC  HEC  93           HHC      HEC  93   2.171   4.366  -4.008
  490    HHD  HEC  93           HHD      HEC  93   8.416   3.316  -4.986
  491   1HMA  HEC  93          1HMA      HEC  93   3.518  -0.618   3.207
  492   2HMA  HEC  93          2HMA      HEC  93   3.195  -1.905   2.015
  493   3HMA  HEC  93          3HMA      HEC  93   4.594  -2.023   3.087
  494   1HAA  HEC  93          1HAA      HEC  93   6.822  -1.689   3.143
  495   2HAA  HEC  93          2HAA      HEC  93   7.951  -0.543   2.538
  496   1HBA  HEC  93          1HBA      HEC  93   7.981  -2.072   0.443
  497   2HBA  HEC  93          2HBA      HEC  93   7.184  -3.273   1.450
  498   1HMB  HEC  93          1HMB      HEC  93   0.014   0.988   0.540
  499   2HMB  HEC  93          2HMB      HEC  93  -0.941   1.293  -0.922
  500   3HMB  HEC  93          3HMB      HEC  93   0.091  -0.123  -0.837
  501    HAB  HEC  93           HAB      HEC  93   0.192   4.035  -3.446
  502   1HBB  HEC  93          1HBB      HEC  93  -0.440   4.924  -1.302
  503   2HBB  HEC  93          2HBB      HEC  93  -1.872   4.398  -2.206
  504   3HBB  HEC  93          3HBB      HEC  93  -1.265   3.431  -0.852
  505   1HMC  HEC  93          1HMC      HEC  93   4.114   5.903  -6.860
  506   2HMC  HEC  93          2HMC      HEC  93   2.911   4.681  -6.470
  507   3HMC  HEC  93          3HMC      HEC  93   3.072   6.126  -5.449
  508    HAC  HEC  93           HAC      HEC  93   7.780   4.596  -6.496
  509   1HBC  HEC  93          1HBC      HEC  93   5.943   7.001  -6.458
  510   2HBC  HEC  93          2HBC      HEC  93   7.530   6.795  -5.708
  511   3HBC  HEC  93          3HBC      HEC  93   7.390   6.813  -7.469
  512   1HMD  HEC  93          1HMD      HEC  93  11.168   0.977  -4.074
  513   2HMD  HEC  93          2HMD      HEC  93  10.083   1.905  -5.092
  514   3HMD  HEC  93          3HMD      HEC  93  11.138   2.756  -3.938
  515   1HAD  HEC  93          1HAD      HEC  93  10.860  -0.502  -1.286
  516   2HAD  HEC  93          2HAD      HEC  93  10.459   0.516  -0.033
  517   1HBD  HEC  93          1HBD      HEC  93  12.653   0.876  -0.169
  518   2HBD  HEC  93          2HBD      HEC  93  11.782   2.351  -0.565
  Start of MODEL   29
    1   1H    VAL  22          1H        VAL  22 -14.715   4.480  -1.690
    2   2H    VAL  22          2H        VAL  22 -14.788   4.433  -0.055
    3   3H    VAL  22          3H        VAL  22 -14.935   5.896  -0.847
    4    HA   VAL  22           HA       VAL  22 -12.693   5.669  -1.673
    5    HB   VAL  22           HB       VAL  22 -12.864   5.320   1.356
    6   1HG1  VAL  22          1HG1      VAL  22 -10.614   6.400   1.346
    7   2HG1  VAL  22          2HG1      VAL  22 -10.581   4.800   0.601
    8   3HG1  VAL  22          3HG1      VAL  22 -10.559   6.252  -0.422
    9   1HG2  VAL  22          1HG2      VAL  22 -12.570   7.785   1.365
   10   2HG2  VAL  22          2HG2      VAL  22 -12.623   7.805  -0.408
   11   3HG2  VAL  22          3HG2      VAL  22 -14.060   7.333   0.529
   12    H    ASP  23           H        ASP  23 -12.056   3.988  -2.838
   13    HA   ASP  23           HA       ASP  23 -12.882   1.362  -1.847
   14   1HB   ASP  23          1HB       ASP  23 -12.526   2.597  -4.597
   15   2HB   ASP  23          2HB       ASP  23 -13.077   0.948  -4.276
   16    H    ALA  24           H        ALA  24 -11.236   0.443  -0.845
   17    HA   ALA  24           HA       ALA  24  -8.690   1.224  -0.813
   18   1HB   ALA  24          1HB       ALA  24  -8.121  -0.787   0.283
   19   2HB   ALA  24          2HB       ALA  24  -9.753  -0.322   0.802
   20   3HB   ALA  24          3HB       ALA  24  -9.551  -1.640  -0.373
   21    H    GLU  25           H        GLU  25  -9.719  -1.619  -2.827
   22    HA   GLU  25           HA       GLU  25  -7.080  -1.936  -3.859
   23   1HB   GLU  25          1HB       GLU  25  -7.862  -3.575  -5.255
   24   2HB   GLU  25          2HB       GLU  25  -9.019  -3.635  -3.922
   25   1HG   GLU  25          1HG       GLU  25 -10.588  -2.281  -5.253
   26   2HG   GLU  25          2HG       GLU  25  -9.416  -2.310  -6.638
   27    H    ALA  26           H        ALA  26  -9.906  -0.068  -5.033
   28    HA   ALA  26           HA       ALA  26  -8.850   0.706  -7.526
   29   1HB   ALA  26          1HB       ALA  26 -11.226   1.036  -6.760
   30   2HB   ALA  26          2HB       ALA  26 -10.651   2.429  -5.808
   31   3HB   ALA  26          3HB       ALA  26 -10.483   2.435  -7.564
   32    H    VAL  27           H        VAL  27  -8.492   2.190  -4.286
   33    HA   VAL  27           HA       VAL  27  -6.726   4.358  -5.013
   34    HB   VAL  27           HB       VAL  27  -6.714   2.653  -2.489
   35   1HG1  VAL  27          1HG1      VAL  27  -5.475   4.532  -1.510
   36   2HG1  VAL  27          2HG1      VAL  27  -4.547   3.796  -2.811
   37   3HG1  VAL  27          3HG1      VAL  27  -5.396   5.332  -3.091
   38   1HG2  VAL  27          1HG2      VAL  27  -7.915   4.548  -1.490
   39   2HG2  VAL  27          2HG2      VAL  27  -7.936   5.387  -3.056
   40   3HG2  VAL  27          3HG2      VAL  27  -8.855   3.885  -2.832
   41    H    VAL  28           H        VAL  28  -5.705   0.881  -4.055
   42    HA   VAL  28           HA       VAL  28  -3.098   1.859  -4.631
   43    HB   VAL  28           HB       VAL  28  -4.260  -0.864  -4.179
   44   1HG1  VAL  28          1HG1      VAL  28  -1.341  -0.388  -3.595
   45   2HG1  VAL  28          2HG1      VAL  28  -2.204  -1.888  -3.847
   46   3HG1  VAL  28          3HG1      VAL  28  -1.902  -0.836  -5.227
   47   1HG2  VAL  28          1HG2      VAL  28  -2.864  -0.144  -1.876
   48   2HG2  VAL  28          2HG2      VAL  28  -3.367   1.429  -2.451
   49   3HG2  VAL  28          3HG2      VAL  28  -4.590   0.181  -2.152
   50    H    GLN  29           H        GLN  29  -5.347   0.045  -6.465
   51    HA   GLN  29           HA       GLN  29  -3.904  -0.462  -8.856
   52   1HB   GLN  29          1HB       GLN  29  -6.868  -0.195  -8.173
   53   2HB   GLN  29          2HB       GLN  29  -6.335  -0.741  -9.732
   54   1HG   GLN  29          1HG       GLN  29  -5.739  -2.131  -7.100
   55   2HG   GLN  29          2HG       GLN  29  -6.900  -2.636  -8.331
   56   1HE2  GLN  29          1HE2      GLN  29  -4.453  -4.037  -7.210
   57   2HE2  GLN  29          2HE2      GLN  29  -3.399  -4.286  -8.598
   58    H    GLN  30           H        GLN  30  -4.664   2.558  -7.567
   59    HA   GLN  30           HA       GLN  30  -4.106   3.746 -10.258
   60   1HB   GLN  30          1HB       GLN  30  -6.377   4.212  -9.109
   61   2HB   GLN  30          2HB       GLN  30  -5.455   5.167  -7.943
   62   1HG   GLN  30          1HG       GLN  30  -4.531   6.508  -9.895
   63   2HG   GLN  30          2HG       GLN  30  -5.592   5.582 -10.967
   64   1HE2  GLN  30          1HE2      GLN  30  -8.009   5.548 -10.175
   65   2HE2  GLN  30          2HE2      GLN  30  -8.623   7.106  -9.649
   66    H    LYS  31           H        LYS  31  -3.287   3.718  -6.798
   67    HA   LYS  31           HA       LYS  31  -1.634   6.135  -7.070
   68   1HB   LYS  31          1HB       LYS  31  -3.536   5.157  -5.172
   69   2HB   LYS  31          2HB       LYS  31  -2.025   5.049  -4.363
   70   1HG   LYS  31          1HG       LYS  31  -2.709   7.169  -3.807
   71   2HG   LYS  31          2HG       LYS  31  -1.757   7.586  -5.243
   72   1HD   LYS  31          1HD       LYS  31  -3.894   7.483  -6.599
   73   2HD   LYS  31          2HD       LYS  31  -4.762   7.008  -5.124
   74   1HE   LYS  31          1HE       LYS  31  -3.744   9.256  -4.133
   75   2HE   LYS  31          2HE       LYS  31  -3.615   9.708  -5.843
   76   1HZ   LYS  31          1HZ       LYS  31  -5.703  10.392  -4.907
   77   2HZ   LYS  31          2HZ       LYS  31  -6.043   9.156  -5.955
   78   3HZ   LYS  31          3HZ       LYS  31  -6.004   8.906  -4.317
   79    H    CYS  32           H        CYS  32  -1.287   2.676  -6.579
   80    HA   CYS  32           HA       CYS  32   1.505   3.048  -5.561
   81   1HB   CYS  32          1HB       CYS  32  -0.198   0.644  -5.157
   82   2HB   CYS  32          2HB       CYS  32   1.185   1.135  -4.202
   83    H    ILE  33           H        ILE  33  -0.620   1.079  -7.650
   84    HA   ILE  33           HA       ILE  33   1.280  -0.724  -8.619
   85    HB   ILE  33           HB       ILE  33  -0.027  -0.796 -10.698
   86   1HG1  ILE  33          1HG1      ILE  33  -1.917   1.273  -9.533
   87   2HG1  ILE  33          2HG1      ILE  33  -0.671   1.682 -10.715
   88   1HG2  ILE  33          1HG2      ILE  33  -2.054  -1.710  -9.652
   89   2HG2  ILE  33          2HG2      ILE  33  -0.599  -2.136  -8.755
   90   3HG2  ILE  33          3HG2      ILE  33  -1.667  -0.871  -8.137
   91   1HD1  ILE  33          1HD1      ILE  33  -1.562   0.010 -12.301
   92   2HD1  ILE  33          2HD1      ILE  33  -2.915  -0.300 -11.194
   93   3HD1  ILE  33          3HD1      ILE  33  -2.701   1.307 -11.914
   94    H    SER  34           H        SER  34   0.949   2.685  -9.367
   95    HA   SER  34           HA       SER  34   2.402   3.297 -11.509
   96   1HB   SER  34          1HB       SER  34   2.983   4.554  -8.820
   97   2HB   SER  34          2HB       SER  34   2.737   5.352 -10.382
   98    HG   SER  34           HG       SER  34   0.513   4.843 -10.193
   99    H    CYS  35           H        CYS  35   3.781   2.077  -8.421
  100    HA   CYS  35           HA       CYS  35   6.406   1.732  -9.820
  101   1HB   CYS  35          1HB       CYS  35   6.206   2.179  -6.833
  102   2HB   CYS  35          2HB       CYS  35   7.616   2.248  -7.874
  103    H    HIS  36           H        HIS  36   4.031   0.397  -7.508
  104    HA   HIS  36           HA       HIS  36   5.592  -2.025  -7.082
  105   1HB   HIS  36          1HB       HIS  36   2.854  -1.088  -6.223
  106   2HB   HIS  36          2HB       HIS  36   3.524  -2.671  -5.789
  107    HD1  HIS  36           1HD      HIS  36   5.744  -2.668  -4.189
  108    HD2  HIS  36           2HD      HIS  36   3.703   0.996  -4.744
  109    HE1  HIS  36           1HE      HIS  36   6.468  -1.110  -2.306
  110    H    GLY  37           H        GLY  37   3.685  -1.137  -9.745
  111   1HA   GLY  37          1HA       GLY  37   4.066  -2.540 -11.587
  112   2HA   GLY  37          2HA       GLY  37   3.846  -3.990 -10.621
  113    H    GLY  38           H        GLY  38   1.650  -4.472  -9.891
  114   1HA   GLY  38          1HA       GLY  38  -0.663  -3.178 -11.141
  115   2HA   GLY  38          2HA       GLY  38  -0.162  -4.664 -11.961
  116    H    ASP  39           H        ASP  39   0.263  -6.582 -10.397
  117    HA   ASP  39           HA       ASP  39  -1.996  -6.859  -8.562
  118   1HB   ASP  39          1HB       ASP  39  -0.499  -8.640 -10.149
  119   2HB   ASP  39          2HB       ASP  39  -0.034  -9.030  -8.493
  120    H    LEU  40           H        LEU  40   0.764  -5.229  -8.207
  121    HA   LEU  40           HA       LEU  40   2.095  -4.513  -6.583
  122   1HB   LEU  40          1HB       LEU  40   0.313  -5.900  -4.539
  123   2HB   LEU  40          2HB       LEU  40   1.553  -4.684  -4.281
  124    HG   LEU  40           HG       LEU  40  -0.387  -3.469  -4.123
  125   1HD1  LEU  40          1HD1      LEU  40  -0.476  -1.989  -6.147
  126   2HD1  LEU  40          2HD1      LEU  40   1.152  -2.310  -5.560
  127   3HD1  LEU  40          3HD1      LEU  40   0.518  -3.113  -7.020
  128   1HD2  LEU  40          1HD2      LEU  40  -1.948  -5.160  -4.919
  129   2HD2  LEU  40          2HD2      LEU  40  -2.309  -3.518  -5.487
  130   3HD2  LEU  40          3HD2      LEU  40  -1.606  -4.677  -6.602
  131    H    THR  41           H        THR  41   2.352  -7.113  -7.967
  132    HA   THR  41           HA       THR  41   3.985  -8.807  -6.346
  133    HB   THR  41           HB       THR  41   4.503  -9.488  -8.893
  134    HG1  THR  41           1HG      THR  41   2.738  -8.794 -10.193
  135   1HG2  THR  41          1HG2      THR  41   1.816  -9.771  -7.466
  136   2HG2  THR  41          2HG2      THR  41   2.285 -10.716  -8.897
  137   3HG2  THR  41          3HG2      THR  41   3.192 -10.877  -7.382
  138    H    GLY  42           H        GLY  42   4.577  -5.616  -7.640
  139   1HA   GLY  42          1HA       GLY  42   6.467  -4.534  -7.003
  140   2HA   GLY  42          2HA       GLY  42   7.452  -6.006  -7.047
  141    H    ALA  43           H        ALA  43   7.867  -3.484  -8.343
  142    HA   ALA  43           HA       ALA  43   8.663  -4.495 -10.948
  143   1HB   ALA  43          1HB       ALA  43   6.587  -2.260 -10.912
  144   2HB   ALA  43          2HB       ALA  43   7.572  -2.722 -12.318
  145   3HB   ALA  43          3HB       ALA  43   6.424  -3.875 -11.618
  146    H    SER  44           H        SER  44   8.070  -1.083 -10.025
  147    HA   SER  44           HA       SER  44  11.006  -0.569 -10.021
  148   1HB   SER  44          1HB       SER  44   8.698   1.396  -9.845
  149   2HB   SER  44          2HB       SER  44  10.402   1.751 -10.157
  150    HG   SER  44           HG       SER  44  10.109   0.334 -12.068
  151    H    ALA  45           H        ALA  45   8.687  -1.610  -7.914
  152    HA   ALA  45           HA       ALA  45  10.094  -0.686  -5.495
  153   1HB   ALA  45          1HB       ALA  45   7.080  -0.609  -5.997
  154   2HB   ALA  45          2HB       ALA  45   7.897  -0.218  -4.474
  155   3HB   ALA  45          3HB       ALA  45   8.124   0.811  -5.896
  156    HA   PRO  46           HA       PRO  46   9.807  -5.005  -4.847
  157   1HB   PRO  46          1HB       PRO  46   9.431  -5.335  -2.126
  158   2HB   PRO  46          2HB       PRO  46  10.949  -4.734  -2.852
  159   1HG   PRO  46          1HG       PRO  46   8.657  -3.092  -1.741
  160   2HG   PRO  46          2HG       PRO  46  10.396  -2.955  -1.337
  161   1HD   PRO  46          1HD       PRO  46   9.275  -1.325  -3.169
  162   2HD   PRO  46          2HD       PRO  46  10.884  -2.023  -3.503
  163    H    ALA  47           H        ALA  47   8.469  -6.824  -4.060
  164    HA   ALA  47           HA       ALA  47   5.730  -6.551  -4.792
  165   1HB   ALA  47          1HB       ALA  47   7.061  -8.668  -5.011
  166   2HB   ALA  47          2HB       ALA  47   7.097  -8.801  -3.246
  167   3HB   ALA  47          3HB       ALA  47   5.547  -8.889  -4.107
  168    H    ILE  48           H        ILE  48   4.223  -5.569  -3.552
  169    HA   ILE  48           HA       ILE  48   4.377  -5.949  -0.588
  170    HB   ILE  48           HB       ILE  48   3.216  -3.889  -0.180
  171   1HG1  ILE  48          1HG1      ILE  48   3.350  -2.114  -2.063
  172   2HG1  ILE  48          2HG1      ILE  48   3.381  -3.470  -3.168
  173   1HG2  ILE  48          1HG2      ILE  48   5.774  -3.571  -1.790
  174   2HG2  ILE  48          2HG2      ILE  48   5.132  -2.438  -0.593
  175   3HG2  ILE  48          3HG2      ILE  48   5.653  -4.050  -0.087
  176   1HD1  ILE  48          1HD1      ILE  48   1.273  -2.778  -1.027
  177   2HD1  ILE  48          2HD1      ILE  48   1.112  -2.466  -2.759
  178   3HD1  ILE  48          3HD1      ILE  48   1.110  -4.138  -2.148
  179    H    ASP  49           H        ASP  49   2.803  -6.974  -3.323
  180    HA   ASP  49           HA       ASP  49   0.251  -7.650  -2.719
  181   1HB   ASP  49          1HB       ASP  49   1.152  -8.714  -4.588
  182   2HB   ASP  49          2HB       ASP  49   2.660  -9.126  -3.767
  183    H    LYS  50           H        LYS  50   3.127  -9.058  -1.222
  184    HA   LYS  50           HA       LYS  50   1.550 -10.724   0.596
  185   1HB   LYS  50          1HB       LYS  50   3.514 -11.386  -0.874
  186   2HB   LYS  50          2HB       LYS  50   4.576 -10.546   0.247
  187   1HG   LYS  50          1HG       LYS  50   2.663 -12.612   1.361
  188   2HG   LYS  50          2HG       LYS  50   3.935 -13.191   0.281
  189   1HD   LYS  50          1HD       LYS  50   5.658 -12.022   1.686
  190   2HD   LYS  50          2HD       LYS  50   4.382 -11.598   2.826
  191   1HE   LYS  50          1HE       LYS  50   3.900 -14.227   2.802
  192   2HE   LYS  50          2HE       LYS  50   5.549 -14.304   2.160
  193   1HZ   LYS  50          1HZ       LYS  50   5.744 -14.455   4.475
  194   2HZ   LYS  50          2HZ       LYS  50   6.117 -12.866   4.160
  195   3HZ   LYS  50          3HZ       LYS  50   4.652 -13.253   4.753
  196    H    ALA  51           H        ALA  51   2.397  -7.547   0.749
  197    HA   ALA  51           HA       ALA  51   3.936  -7.261   3.077
  198   1HB   ALA  51          1HB       ALA  51   3.651  -5.474   1.496
  199   2HB   ALA  51          2HB       ALA  51   1.919  -5.339   1.885
  200   3HB   ALA  51          3HB       ALA  51   3.133  -4.943   3.108
  201    H    GLY  52           H        GLY  52   0.341  -7.677   2.749
  202   1HA   GLY  52          1HA       GLY  52  -0.258  -7.107   5.462
  203   2HA   GLY  52          2HA       GLY  52  -1.156  -8.206   4.401
  204    H    ALA  53           H        ALA  53   1.079 -10.061   3.938
  205    HA   ALA  53           HA       ALA  53   0.931 -11.591   6.435
  206   1HB   ALA  53          1HB       ALA  53   2.189 -13.285   5.226
  207   2HB   ALA  53          2HB       ALA  53   0.794 -12.724   4.292
  208   3HB   ALA  53          3HB       ALA  53   2.420 -12.170   3.861
  209    H    ASN  54           H        ASN  54   3.435  -9.671   4.749
  210    HA   ASN  54           HA       ASN  54   5.551 -10.504   6.612
  211   1HB   ASN  54          1HB       ASN  54   5.377  -8.211   4.617
  212   2HB   ASN  54          2HB       ASN  54   6.778  -8.511   5.646
  213   1HD2  ASN  54          1HD2      ASN  54   7.169  -8.450   2.951
  214   2HD2  ASN  54          2HD2      ASN  54   7.556 -10.061   2.393
  215    H    TYR  55           H        TYR  55   3.243  -7.836   6.472
  216    HA   TYR  55           HA       TYR  55   4.343  -6.605   8.962
  217   1HB   TYR  55          1HB       TYR  55   3.429  -5.037   6.540
  218   2HB   TYR  55          2HB       TYR  55   4.264  -4.436   7.968
  219    HD1  TYR  55           1HD      TYR  55   4.786  -4.490   4.714
  220    HD2  TYR  55           2HD      TYR  55   6.635  -6.119   8.249
  221    HE1  TYR  55           1HE      TYR  55   6.951  -4.623   3.520
  222    HE2  TYR  55           2HE      TYR  55   8.788  -6.288   7.035
  223    HH   TYR  55           HH       TYR  55   9.266  -5.022   3.748
  224    H    SER  56           H        SER  56   2.627  -4.851   9.680
  225    HA   SER  56           HA       SER  56  -0.078  -6.131   9.459
  226   1HB   SER  56          1HB       SER  56   0.895  -6.285  11.682
  227   2HB   SER  56          2HB       SER  56   1.187  -4.547  11.715
  228    HG   SER  56           HG       SER  56  -0.691  -4.727  12.707
  229    H    GLU  57           H        GLU  57  -1.836  -4.472   9.970
  230    HA   GLU  57           HA       GLU  57  -1.938  -2.686   7.741
  231   1HB   GLU  57          1HB       GLU  57  -4.057  -1.850   8.751
  232   2HB   GLU  57          2HB       GLU  57  -4.004  -3.566   8.464
  233   1HG   GLU  57          1HG       GLU  57  -4.790  -3.803  10.534
  234   2HG   GLU  57          2HG       GLU  57  -3.168  -3.460  11.133
  235    H    GLU  58           H        GLU  58  -1.667  -1.906  11.252
  236    HA   GLU  58           HA       GLU  58  -1.075   0.692  11.266
  237   1HB   GLU  58          1HB       GLU  58   0.305   0.243  13.274
  238   2HB   GLU  58          2HB       GLU  58  -1.173  -0.717  13.208
  239   1HG   GLU  58          1HG       GLU  58   0.446  -2.521  12.073
  240   2HG   GLU  58          2HG       GLU  58   1.684  -1.616  12.963
  241    H    GLU  59           H        GLU  59   1.538  -1.713  10.637
  242    HA   GLU  59           HA       GLU  59   3.644   0.093  10.166
  243   1HB   GLU  59          1HB       GLU  59   3.094  -2.631   8.899
  244   2HB   GLU  59          2HB       GLU  59   4.651  -1.806   8.871
  245   1HG   GLU  59          1HG       GLU  59   3.291  -2.600  11.487
  246   2HG   GLU  59          2HG       GLU  59   4.405  -3.642  10.596
  247    H    ILE  60           H        ILE  60   1.349  -1.411   7.900
  248    HA   ILE  60           HA       ILE  60   2.542  -0.332   5.517
  249    HB   ILE  60           HB       ILE  60  -0.191  -1.509   6.098
  250   1HG1  ILE  60          1HG1      ILE  60   2.181  -2.720   4.619
  251   2HG1  ILE  60          2HG1      ILE  60   1.916  -2.944   6.349
  252   1HG2  ILE  60          1HG2      ILE  60  -0.350  -1.825   3.593
  253   2HG2  ILE  60          2HG2      ILE  60  -0.474  -0.164   4.152
  254   3HG2  ILE  60          3HG2      ILE  60   1.048  -0.741   3.428
  255   1HD1  ILE  60          1HD1      ILE  60   1.042  -4.869   5.343
  256   2HD1  ILE  60          2HD1      ILE  60  -0.368  -3.906   5.812
  257   3HD1  ILE  60          3HD1      ILE  60   0.160  -3.961   4.109
  258    H    LEU  61           H        LEU  61  -0.240   0.613   7.483
  259    HA   LEU  61           HA       LEU  61  -1.192   2.879   6.161
  260   1HB   LEU  61          1HB       LEU  61  -2.221   1.723   8.072
  261   2HB   LEU  61          2HB       LEU  61  -0.967   2.272   9.150
  262    HG   LEU  61           HG       LEU  61  -1.665   4.561   9.007
  263   1HD1  LEU  61          1HD1      LEU  61  -3.609   3.574   6.886
  264   2HD1  LEU  61          2HD1      LEU  61  -3.761   5.152   7.693
  265   3HD1  LEU  61          3HD1      LEU  61  -2.334   4.801   6.709
  266   1HD2  LEU  61          1HD2      LEU  61  -2.860   3.049  10.569
  267   2HD2  LEU  61          2HD2      LEU  61  -3.909   4.358   9.993
  268   3HD2  LEU  61          3HD2      LEU  61  -4.080   2.723   9.319
  269    H    ASP  62           H        ASP  62   1.260   2.648   8.804
  270    HA   ASP  62           HA       ASP  62   1.859   5.429   8.796
  271   1HB   ASP  62          1HB       ASP  62   2.556   3.900  10.614
  272   2HB   ASP  62          2HB       ASP  62   3.739   3.149   9.525
  273    H    ILE  63           H        ILE  63   3.286   2.691   6.990
  274    HA   ILE  63           HA       ILE  63   5.395   4.228   5.785
  275    HB   ILE  63           HB       ILE  63   4.070   1.568   5.282
  276   1HG1  ILE  63          1HG1      ILE  63   7.012   2.289   5.528
  277   2HG1  ILE  63          2HG1      ILE  63   5.962   2.096   6.941
  278   1HG2  ILE  63          1HG2      ILE  63   4.267   2.241   3.003
  279   2HG2  ILE  63          2HG2      ILE  63   5.906   2.904   3.261
  280   3HG2  ILE  63          3HG2      ILE  63   5.608   1.161   3.342
  281   1HD1  ILE  63          1HD1      ILE  63   6.534  -0.084   4.890
  282   2HD1  ILE  63          2HD1      ILE  63   7.163   0.031   6.536
  283   3HD1  ILE  63          3HD1      ILE  63   5.427  -0.220   6.275
  284    H    ILE  64           H        ILE  64   2.049   3.573   4.683
  285    HA   ILE  64           HA       ILE  64   2.304   4.934   2.173
  286    HB   ILE  64           HB       ILE  64  -0.069   4.467   4.010
  287   1HG1  ILE  64          1HG1      ILE  64   0.535   3.097   1.374
  288   2HG1  ILE  64          2HG1      ILE  64   1.311   2.524   2.851
  289   1HG2  ILE  64          1HG2      ILE  64  -0.664   6.332   2.597
  290   2HG2  ILE  64          2HG2      ILE  64   0.023   5.544   1.164
  291   3HG2  ILE  64          3HG2      ILE  64  -1.446   4.903   1.928
  292   1HD1  ILE  64          1HD1      ILE  64  -1.691   2.752   2.457
  293   2HD1  ILE  64          2HD1      ILE  64  -0.708   1.272   2.488
  294   3HD1  ILE  64          3HD1      ILE  64  -0.884   2.248   3.950
  295    H    LEU  65           H        LEU  65   1.233   6.059   5.403
  296    HA   LEU  65           HA       LEU  65   0.736   8.755   4.611
  297   1HB   LEU  65          1HB       LEU  65   1.385   7.489   7.285
  298   2HB   LEU  65          2HB       LEU  65   0.880   9.168   7.105
  299    HG   LEU  65           HG       LEU  65  -0.908   6.893   6.098
  300   1HD1  LEU  65          1HD1      LEU  65  -2.073   7.053   8.271
  301   2HD1  LEU  65          2HD1      LEU  65  -0.399   6.519   8.512
  302   3HD1  LEU  65          3HD1      LEU  65  -0.851   8.197   8.863
  303   1HD2  LEU  65          1HD2      LEU  65  -1.451   9.759   6.968
  304   2HD2  LEU  65          2HD2      LEU  65  -1.387   9.139   5.305
  305   3HD2  LEU  65          3HD2      LEU  65  -2.649   8.567   6.414
  306    H    ASN  66           H        ASN  66   3.677   7.121   5.634
  307    HA   ASN  66           HA       ASN  66   5.166   9.647   6.066
  308   1HB   ASN  66          1HB       ASN  66   5.667   6.731   6.794
  309   2HB   ASN  66          2HB       ASN  66   6.904   7.940   6.922
  310   1HD2  ASN  66          1HD2      ASN  66   3.629   7.222   7.957
  311   2HD2  ASN  66          2HD2      ASN  66   3.914   7.606   9.614
  312    H    GLY  67           H        GLY  67   5.754   6.474   4.430
  313   1HA   GLY  67          1HA       GLY  67   6.668   6.765   2.061
  314   2HA   GLY  67          2HA       GLY  67   7.978   7.657   2.861
  315    H    GLN  68           H        GLN  68   9.066   5.803   1.684
  316    HA   GLN  68           HA       GLN  68  10.155   4.092   3.678
  317   1HB   GLN  68          1HB       GLN  68   8.459   2.358   2.704
  318   2HB   GLN  68          2HB       GLN  68   9.016   2.841   1.118
  319   1HG   GLN  68          1HG       GLN  68   9.836   0.696   1.928
  320   2HG   GLN  68          2HG       GLN  68  11.145   1.789   1.479
  321   1HE2  GLN  68          1HE2      GLN  68  10.577  -0.665   3.421
  322   2HE2  GLN  68          2HE2      GLN  68  11.470  -0.137   4.839
  323    H    GLY  69           H        GLY  69  12.323   3.370   2.719
  324   1HA   GLY  69          1HA       GLY  69  14.230   4.584   1.818
  325   2HA   GLY  69          2HA       GLY  69  13.757   3.295   0.712
  326    H    GLY  70           H        GLY  70  13.021   3.867  -1.438
  327   1HA   GLY  70          1HA       GLY  70  13.292   6.726  -2.207
  328   2HA   GLY  70          2HA       GLY  70  13.322   5.294  -3.237
  329    H    MET  71           H        MET  71  10.820   5.617  -0.817
  330    HA   MET  71           HA       MET  71   8.737   5.965  -2.907
  331   1HB   MET  71          1HB       MET  71   8.686   3.930  -1.553
  332   2HB   MET  71          2HB       MET  71   8.654   4.861  -0.087
  333   1HG   MET  71          1HG       MET  71   6.520   5.778  -0.524
  334   2HG   MET  71          2HG       MET  71   6.416   5.047  -2.126
  335   1HE   MET  71          1HE       MET  71   3.973   3.358   0.795
  336   2HE   MET  71          2HE       MET  71   4.765   4.929   1.028
  337   3HE   MET  71          3HE       MET  71   3.951   4.555  -0.514
  338    HA   PRO  72           HA       PRO  72   8.871  10.091  -1.226
  339   1HB   PRO  72          1HB       PRO  72   6.613  11.225  -2.360
  340   2HB   PRO  72          2HB       PRO  72   8.130  10.893  -3.241
  341   1HG   PRO  72          1HG       PRO  72   5.645   9.180  -3.130
  342   2HG   PRO  72          2HG       PRO  72   6.591   9.642  -4.572
  343   1HD   PRO  72          1HD       PRO  72   6.945   7.238  -3.385
  344   2HD   PRO  72          2HD       PRO  72   8.366   8.149  -3.993
  345    H    GLY  73           H        GLY  73   5.824   8.298  -0.924
  346   1HA   GLY  73          1HA       GLY  73   4.624   7.897   1.018
  347   2HA   GLY  73          2HA       GLY  73   5.686   9.004   1.897
  348    H    GLY  74           H        GLY  74   3.009   8.973   2.329
  349   1HA   GLY  74          1HA       GLY  74   1.207  10.353   2.574
  350   2HA   GLY  74          2HA       GLY  74   2.178  11.713   1.950
  351    H    ILE  75           H        ILE  75   1.811   8.737   0.174
  352    HA   ILE  75           HA       ILE  75   0.834  10.029  -2.200
  353    HB   ILE  75           HB       ILE  75   1.252   7.152  -1.328
  354   1HG1  ILE  75          1HG1      ILE  75   2.896   8.459  -3.472
  355   2HG1  ILE  75          2HG1      ILE  75   3.166   9.064  -1.839
  356   1HG2  ILE  75          1HG2      ILE  75  -0.371   6.997  -3.091
  357   2HG2  ILE  75          2HG2      ILE  75   0.502   8.188  -4.086
  358   3HG2  ILE  75          3HG2      ILE  75   1.200   6.587  -3.781
  359   1HD1  ILE  75          1HD1      ILE  75   3.663   6.862  -0.992
  360   2HD1  ILE  75          2HD1      ILE  75   3.234   6.123  -2.544
  361   3HD1  ILE  75          3HD1      ILE  75   4.668   7.151  -2.428
  362    H    ALA  76           H        ALA  76  -0.685   8.475   0.556
  363    HA   ALA  76           HA       ALA  76  -3.322   9.274  -0.376
  364   1HB   ALA  76          1HB       ALA  76  -4.197   6.991   0.423
  365   2HB   ALA  76          2HB       ALA  76  -3.326   6.945  -1.122
  366   3HB   ALA  76          3HB       ALA  76  -2.533   6.409   0.375
  367    H    LYS  77           H        LYS  77  -4.568   9.834   1.584
  368    HA   LYS  77           HA       LYS  77  -3.264   9.304   4.163
  369   1HB   LYS  77          1HB       LYS  77  -3.957  12.079   3.079
  370   2HB   LYS  77          2HB       LYS  77  -3.661  11.693   4.766
  371   1HG   LYS  77          1HG       LYS  77  -1.428  10.594   3.665
  372   2HG   LYS  77          2HG       LYS  77  -1.712  11.869   2.493
  373   1HD   LYS  77          1HD       LYS  77  -1.532  13.555   4.280
  374   2HD   LYS  77          2HD       LYS  77  -1.546  12.281   5.525
  375   1HE   LYS  77          1HE       LYS  77   0.552  11.315   4.532
  376   2HE   LYS  77          2HE       LYS  77   0.620  12.691   3.408
  377   1HZ   LYS  77          1HZ       LYS  77   0.771  12.839   6.350
  378   2HZ   LYS  77          2HZ       LYS  77   2.044  12.888   5.321
  379   3HZ   LYS  77          3HZ       LYS  77   0.934  14.110   5.306
  380    H    GLY  78           H        GLY  78  -4.603   9.889   5.992
  381   1HA   GLY  78          1HA       GLY  78  -6.457   9.337   7.200
  382   2HA   GLY  78          2HA       GLY  78  -7.334  10.345   6.033
  383    H    ALA  79           H        ALA  79  -9.130   9.141   5.678
  384    HA   ALA  79           HA       ALA  79  -9.643   6.510   5.663
  385   1HB   ALA  79          1HB       ALA  79 -11.468   6.947   4.075
  386   2HB   ALA  79          2HB       ALA  79 -11.338   8.234   5.290
  387   3HB   ALA  79          3HB       ALA  79 -10.732   8.503   3.637
  388    H    GLU  80           H        GLU  80  -7.977   8.219   2.999
  389    HA   GLU  80           HA       GLU  80  -8.195   6.095   1.086
  390   1HB   GLU  80          1HB       GLU  80  -7.622   8.628   0.789
  391   2HB   GLU  80          2HB       GLU  80  -5.972   8.149   1.157
  392   1HG   GLU  80          1HG       GLU  80  -6.105   6.531  -0.779
  393   2HG   GLU  80          2HG       GLU  80  -7.755   7.091  -1.090
  394    H    ALA  81           H        ALA  81  -5.607   7.011   3.478
  395    HA   ALA  81           HA       ALA  81  -3.900   4.801   2.714
  396   1HB   ALA  81          1HB       ALA  81  -3.063   6.922   3.699
  397   2HB   ALA  81          2HB       ALA  81  -3.861   6.512   5.232
  398   3HB   ALA  81          3HB       ALA  81  -2.552   5.487   4.588
  399    H    GLU  82           H        GLU  82  -6.280   5.435   5.329
  400    HA   GLU  82           HA       GLU  82  -5.925   3.074   6.848
  401   1HB   GLU  82          1HB       GLU  82  -8.432   4.687   6.242
  402   2HB   GLU  82          2HB       GLU  82  -8.317   3.465   7.503
  403   1HG   GLU  82          1HG       GLU  82  -6.755   4.735   8.773
  404   2HG   GLU  82          2HG       GLU  82  -6.431   5.859   7.452
  405    H    ALA  83           H        ALA  83  -8.172   3.710   4.123
  406    HA   ALA  83           HA       ALA  83  -9.322   1.170   3.889
  407   1HB   ALA  83          1HB       ALA  83  -8.689   3.194   1.692
  408   2HB   ALA  83          2HB       ALA  83  -9.825   1.840   1.557
  409   3HB   ALA  83          3HB       ALA  83 -10.154   3.146   2.700
  410    H    VAL  84           H        VAL  84  -6.406   2.473   2.169
  411    HA   VAL  84           HA       VAL  84  -5.662   0.087   0.869
  412    HB   VAL  84           HB       VAL  84  -3.848   2.199   2.115
  413   1HG1  VAL  84          1HG1      VAL  84  -2.148   1.218   0.590
  414   2HG1  VAL  84          2HG1      VAL  84  -2.559   0.133   1.903
  415   3HG1  VAL  84          3HG1      VAL  84  -3.232  -0.160   0.295
  416   1HG2  VAL  84          1HG2      VAL  84  -4.952   1.810  -0.672
  417   2HG2  VAL  84          2HG2      VAL  84  -4.991   3.250   0.345
  418   3HG2  VAL  84          3HG2      VAL  84  -3.458   2.730  -0.353
  419    H    ALA  85           H        ALA  85  -4.468   1.214   4.079
  420    HA   ALA  85           HA       ALA  85  -2.804  -0.931   4.648
  421   1HB   ALA  85          1HB       ALA  85  -3.050  -0.258   6.994
  422   2HB   ALA  85          2HB       ALA  85  -2.890   1.148   5.918
  423   3HB   ALA  85          3HB       ALA  85  -4.476   0.720   6.594
  424    H    ALA  86           H        ALA  86  -6.272  -0.605   5.570
  425    HA   ALA  86           HA       ALA  86  -6.529  -3.127   6.844
  426   1HB   ALA  86          1HB       ALA  86  -8.591  -1.502   5.288
  427   2HB   ALA  86          2HB       ALA  86  -8.950  -2.848   6.392
  428   3HB   ALA  86          3HB       ALA  86  -8.211  -1.358   7.017
  429    H    TRP  87           H        TRP  87  -7.393  -2.240   3.461
  430    HA   TRP  87           HA       TRP  87  -8.153  -4.815   2.575
  431   1HB   TRP  87          1HB       TRP  87  -8.747  -2.838   1.426
  432   2HB   TRP  87          2HB       TRP  87  -7.047  -2.346   1.286
  433    HD1  TRP  87           HD       TRP  87  -9.490  -4.762  -0.482
  434    HE1  TRP  87           1HE      TRP  87  -8.396  -5.564  -2.627
  435    HE3  TRP  87           3HE      TRP  87  -5.086  -2.139  -0.176
  436    HZ2  TRP  87           2HZ      TRP  87  -5.048  -5.214  -3.128
  437    HZ3  TRP  87           3HZ      TRP  87  -3.677  -2.029  -2.198
  438    HH2  TRP  87           HH       TRP  87  -4.228  -3.268  -4.225
  439    H    LEU  88           H        LEU  88  -4.950  -3.295   2.697
  440    HA   LEU  88           HA       LEU  88  -3.663  -5.452   1.258
  441   1HB   LEU  88          1HB       LEU  88  -2.953  -2.831   2.003
  442   2HB   LEU  88          2HB       LEU  88  -1.866  -3.852   2.918
  443    HG   LEU  88           HG       LEU  88  -1.111  -3.104   0.648
  444   1HD1  LEU  88          1HD1      LEU  88  -0.302  -5.281   1.788
  445   2HD1  LEU  88          2HD1      LEU  88  -1.361  -6.135   0.638
  446   3HD1  LEU  88          3HD1      LEU  88  -0.064  -5.081   0.035
  447   1HD2  LEU  88          1HD2      LEU  88  -2.906  -2.944  -0.470
  448   2HD2  LEU  88          2HD2      LEU  88  -1.772  -3.951  -1.381
  449   3HD2  LEU  88          3HD2      LEU  88  -3.217  -4.699  -0.658
  450    H    ALA  89           H        ALA  89  -3.987  -4.604   4.702
  451    HA   ALA  89           HA       ALA  89  -2.522  -6.857   5.714
  452   1HB   ALA  89          1HB       ALA  89  -4.716  -5.208   6.985
  453   2HB   ALA  89          2HB       ALA  89  -3.639  -6.344   7.832
  454   3HB   ALA  89          3HB       ALA  89  -2.954  -4.907   7.045
  455    H    GLU  90           H        GLU  90  -5.779  -6.505   4.470
  456    HA   GLU  90           HA       GLU  90  -6.807  -9.035   5.369
  457   1HB   GLU  90          1HB       GLU  90  -8.053  -6.954   4.632
  458   2HB   GLU  90          2HB       GLU  90  -7.557  -7.326   2.985
  459   1HG   GLU  90          1HG       GLU  90  -8.736  -9.620   3.331
  460   2HG   GLU  90          2HG       GLU  90  -9.526  -8.822   4.702
  461    H    LYS  91           H        LYS  91  -4.582  -8.154   2.791
  462    HA   LYS  91           HA       LYS  91  -5.806  -9.507   0.710
  463   1HB   LYS  91          1HB       LYS  91  -4.143  -7.546   0.943
  464   2HB   LYS  91          2HB       LYS  91  -2.860  -8.742   0.800
  465   1HG   LYS  91          1HG       LYS  91  -5.106  -8.156  -1.206
  466   2HG   LYS  91          2HG       LYS  91  -3.510  -7.410  -1.172
  467   1HD   LYS  91          1HD       LYS  91  -2.849 -10.122  -1.214
  468   2HD   LYS  91          2HD       LYS  91  -4.311 -10.065  -2.232
  469   1HE   LYS  91          1HE       LYS  91  -2.965  -7.927  -3.213
  470   2HE   LYS  91          2HE       LYS  91  -1.647  -8.733  -2.313
  471   1HZ   LYS  91          1HZ       LYS  91  -1.945  -9.237  -4.824
  472   2HZ   LYS  91          2HZ       LYS  91  -1.691 -10.473  -3.827
  473   3HZ   LYS  91          3HZ       LYS  91  -3.223 -10.172  -4.393
  474    H    LYS  92           H        LYS  92  -4.396 -11.329   3.021
  475    HA   LYS  92           HA       LYS  92  -1.734 -11.379   1.706
  476   1HB   LYS  92          1HB       LYS  92  -1.049 -11.029   3.871
  477   2HB   LYS  92          2HB       LYS  92  -2.213  -9.838   3.237
  478   1HG   LYS  92          1HG       LYS  92  -3.916 -10.564   4.773
  479   2HG   LYS  92          2HG       LYS  92  -3.339 -12.219   4.786
  480   1HD   LYS  92          1HD       LYS  92  -1.455 -11.557   6.242
  481   2HD   LYS  92          2HD       LYS  92  -2.186  -9.928   6.349
  482   1HE   LYS  92          1HE       LYS  92  -4.243 -10.847   7.299
  483   2HE   LYS  92          2HE       LYS  92  -3.651 -12.500   7.105
  484   1HZ   LYS  92          1HZ       LYS  92  -3.406 -11.613   9.346
  485   2HZ   LYS  92          2HZ       LYS  92  -1.961 -12.060   8.693
  486   3HZ   LYS  92          3HZ       LYS  92  -2.359 -10.465   8.793
  487    HHA  HEC  93           HHA      HEC  93   8.631  -0.181   0.354
  488    HHB  HEC  93           HHB      HEC  93   2.241  -0.006   0.693
  489    HHC  HEC  93           HHC      HEC  93   2.321   4.372  -4.031
  490    HHD  HEC  93           HHD      HEC  93   8.558   3.283  -4.972
  491   1HMA  HEC  93          1HMA      HEC  93   3.192  -1.913   1.957
  492   2HMA  HEC  93          2HMA      HEC  93   4.624  -2.165   2.961
  493   3HMA  HEC  93          3HMA      HEC  93   3.635  -0.710   3.196
  494   1HAA  HEC  93          1HAA      HEC  93   6.868  -1.749   3.112
  495   2HAA  HEC  93          2HAA      HEC  93   7.985  -0.587   2.520
  496   1HBA  HEC  93          1HBA      HEC  93   8.057  -2.183   0.430
  497   2HBA  HEC  93          2HBA      HEC  93   7.292  -3.355   1.491
  498   1HMB  HEC  93          1HMB      HEC  93   0.063   0.923   0.387
  499   2HMB  HEC  93          2HMB      HEC  93  -0.826   1.216  -1.126
  500   3HMB  HEC  93          3HMB      HEC  93   0.242  -0.173  -0.993
  501    HAB  HEC  93           HAB      HEC  93   0.378   4.257  -3.297
  502   1HBB  HEC  93          1HBB      HEC  93  -1.678   4.527  -1.974
  503   2HBB  HEC  93          2HBB      HEC  93  -1.045   3.409  -0.756
  504   3HBB  HEC  93          3HBB      HEC  93  -0.205   4.933  -1.077
  505   1HMC  HEC  93          1HMC      HEC  93   3.323   6.215  -5.450
  506   2HMC  HEC  93          2HMC      HEC  93   4.244   5.826  -6.914
  507   3HMC  HEC  93          3HMC      HEC  93   2.978   4.741  -6.376
  508    HAC  HEC  93           HAC      HEC  93   7.937   4.590  -6.467
  509   1HBC  HEC  93          1HBC      HEC  93   6.073   6.921  -6.938
  510   2HBC  HEC  93          2HBC      HEC  93   7.306   6.852  -5.671
  511   3HBC  HEC  93          3HBC      HEC  93   7.773   6.728  -7.372
  512   1HMD  HEC  93          1HMD      HEC  93  11.265   0.872  -4.077
  513   2HMD  HEC  93          2HMD      HEC  93  10.184   1.807  -5.097
  514   3HMD  HEC  93          3HMD      HEC  93  11.245   2.652  -3.944
  515   1HAD  HEC  93          1HAD      HEC  93  10.939  -0.617  -1.323
  516   2HAD  HEC  93          2HAD      HEC  93  10.526   0.356  -0.049
  517   1HBD  HEC  93          1HBD      HEC  93  12.662   0.897  -0.113
  518   2HBD  HEC  93          2HBD      HEC  93  11.754   2.303  -0.656
  Start of MODEL   30
    1   1H    VAL  22          1H        VAL  22 -14.737   4.574  -0.851
    2   2H    VAL  22          2H        VAL  22 -13.912   4.605   0.576
    3   3H    VAL  22          3H        VAL  22 -14.378   6.035  -0.141
    4    HA   VAL  22           HA       VAL  22 -12.977   5.488  -2.031
    5    HB   VAL  22           HB       VAL  22 -11.649   5.682   0.701
    6   1HG1  VAL  22          1HG1      VAL  22  -9.976   4.639  -0.678
    7   2HG1  VAL  22          2HG1      VAL  22 -10.391   5.662  -2.078
    8   3HG1  VAL  22          3HG1      VAL  22  -9.621   6.367  -0.648
    9   1HG2  VAL  22          1HG2      VAL  22 -11.995   7.671  -1.596
   10   2HG2  VAL  22          2HG2      VAL  22 -12.958   7.671  -0.102
   11   3HG2  VAL  22          3HG2      VAL  22 -11.219   7.996  -0.037
   12    H    ASP  23           H        ASP  23 -12.956   3.665  -3.114
   13    HA   ASP  23           HA       ASP  23 -12.956   1.116  -2.095
   14   1HB   ASP  23          1HB       ASP  23 -12.268   2.172  -4.866
   15   2HB   ASP  23          2HB       ASP  23 -12.759   0.512  -4.497
   16    H    ALA  24           H        ALA  24 -11.303   0.445  -0.875
   17    HA   ALA  24           HA       ALA  24  -8.787   1.347  -0.725
   18   1HB   ALA  24          1HB       ALA  24  -9.549  -1.578  -0.347
   19   2HB   ALA  24          2HB       ALA  24  -8.167  -0.706   0.366
   20   3HB   ALA  24          3HB       ALA  24  -9.828  -0.306   0.853
   21    H    GLU  25           H        GLU  25  -9.623  -1.612  -2.650
   22    HA   GLU  25           HA       GLU  25  -7.005  -1.906  -3.625
   23   1HB   GLU  25          1HB       GLU  25  -7.764  -3.574  -5.014
   24   2HB   GLU  25          2HB       GLU  25  -8.999  -3.562  -3.746
   25   1HG   GLU  25          1HG       GLU  25 -10.433  -2.176  -5.209
   26   2HG   GLU  25          2HG       GLU  25  -9.197  -2.326  -6.521
   27    H    ALA  26           H        ALA  26  -9.708   0.097  -4.863
   28    HA   ALA  26           HA       ALA  26  -8.547   0.762  -7.366
   29   1HB   ALA  26          1HB       ALA  26 -10.294   2.621  -5.750
   30   2HB   ALA  26          2HB       ALA  26 -10.064   2.560  -7.497
   31   3HB   ALA  26          3HB       ALA  26 -10.925   1.234  -6.688
   32    H    VAL  27           H        VAL  27  -8.212   2.223  -4.093
   33    HA   VAL  27           HA       VAL  27  -6.362   4.315  -4.843
   34    HB   VAL  27           HB       VAL  27  -6.273   2.669  -2.277
   35   1HG1  VAL  27          1HG1      VAL  27  -5.175   5.429  -2.933
   36   2HG1  VAL  27          2HG1      VAL  27  -5.113   4.609  -1.360
   37   3HG1  VAL  27          3HG1      VAL  27  -4.204   3.956  -2.719
   38   1HG2  VAL  27          1HG2      VAL  27  -7.728   5.274  -2.886
   39   2HG2  VAL  27          2HG2      VAL  27  -8.493   3.713  -2.516
   40   3HG2  VAL  27          3HG2      VAL  27  -7.537   4.539  -1.279
   41    H    VAL  28           H        VAL  28  -5.626   0.732  -3.951
   42    HA   VAL  28           HA       VAL  28  -2.947   1.566  -4.242
   43    HB   VAL  28           HB       VAL  28  -3.867  -1.282  -4.181
   44   1HG1  VAL  28          1HG1      VAL  28  -1.570   0.066  -2.695
   45   2HG1  VAL  28          2HG1      VAL  28  -1.820  -1.644  -2.948
   46   3HG1  VAL  28          3HG1      VAL  28  -1.399  -0.646  -4.316
   47   1HG2  VAL  28          1HG2      VAL  28  -5.132  -0.408  -2.363
   48   2HG2  VAL  28          2HG2      VAL  28  -3.601  -0.669  -1.555
   49   3HG2  VAL  28          3HG2      VAL  28  -3.985   0.936  -2.102
   50    H    GLN  29           H        GLN  29  -5.172  -0.034  -6.278
   51    HA   GLN  29           HA       GLN  29  -3.698  -0.529  -8.640
   52   1HB   GLN  29          1HB       GLN  29  -6.645  -0.168  -7.991
   53   2HB   GLN  29          2HB       GLN  29  -6.127  -0.661  -9.568
   54   1HG   GLN  29          1HG       GLN  29  -5.497  -2.201  -7.022
   55   2HG   GLN  29          2HG       GLN  29  -6.800  -2.567  -8.159
   56   1HE2  GLN  29          1HE2      GLN  29  -4.307  -4.158  -7.342
   57   2HE2  GLN  29          2HE2      GLN  29  -3.441  -4.395  -8.861
   58    H    GLN  30           H        GLN  30  -4.419   2.554  -7.321
   59    HA   GLN  30           HA       GLN  30  -3.603   3.621  -9.979
   60   1HB   GLN  30          1HB       GLN  30  -6.220   3.946  -8.943
   61   2HB   GLN  30          2HB       GLN  30  -5.414   5.486  -8.632
   62   1HG   GLN  30          1HG       GLN  30  -4.678   5.510 -11.053
   63   2HG   GLN  30          2HG       GLN  30  -5.578   4.002 -11.296
   64   1HE2  GLN  30          1HE2      GLN  30  -5.886   7.482 -10.566
   65   2HE2  GLN  30          2HE2      GLN  30  -7.588   7.574 -11.002
   66    H    LYS  31           H        LYS  31  -2.989   3.686  -6.625
   67    HA   LYS  31           HA       LYS  31  -1.407   6.206  -6.881
   68   1HB   LYS  31          1HB       LYS  31  -3.319   5.208  -4.900
   69   2HB   LYS  31          2HB       LYS  31  -1.762   5.379  -4.161
   70   1HG   LYS  31          1HG       LYS  31  -2.989   7.403  -3.867
   71   2HG   LYS  31          2HG       LYS  31  -1.695   7.758  -5.027
   72   1HD   LYS  31          1HD       LYS  31  -3.252   7.591  -6.899
   73   2HD   LYS  31          2HD       LYS  31  -4.550   7.023  -5.845
   74   1HE   LYS  31          1HE       LYS  31  -3.295   9.630  -5.034
   75   2HE   LYS  31          2HE       LYS  31  -4.127   9.665  -6.595
   76   1HZ   LYS  31          1HZ       LYS  31  -5.573  10.229  -4.738
   77   2HZ   LYS  31          2HZ       LYS  31  -6.112   8.867  -5.487
   78   3HZ   LYS  31          3HZ       LYS  31  -5.342   8.785  -4.047
   79    H    CYS  32           H        CYS  32  -1.143   2.738  -6.515
   80    HA   CYS  32           HA       CYS  32   1.637   3.062  -5.476
   81   1HB   CYS  32          1HB       CYS  32  -0.172   0.779  -5.011
   82   2HB   CYS  32          2HB       CYS  32   1.227   1.182  -4.055
   83    H    ILE  33           H        ILE  33  -0.510   0.899  -7.387
   84    HA   ILE  33           HA       ILE  33   1.493  -0.802  -8.339
   85    HB   ILE  33           HB       ILE  33   0.093  -1.241 -10.255
   86   1HG1  ILE  33          1HG1      ILE  33  -1.870   0.866  -9.331
   87   2HG1  ILE  33          2HG1      ILE  33  -0.687   1.172 -10.596
   88   1HG2  ILE  33          1HG2      ILE  33  -1.388  -1.081  -7.612
   89   2HG2  ILE  33          2HG2      ILE  33  -1.924  -2.019  -9.002
   90   3HG2  ILE  33          3HG2      ILE  33  -0.385  -2.407  -8.224
   91   1HD1  ILE  33          1HD1      ILE  33  -2.688   0.537 -11.703
   92   2HD1  ILE  33          2HD1      ILE  33  -1.496  -0.747 -11.918
   93   3HD1  ILE  33          3HD1      ILE  33  -2.829  -0.959 -10.767
   94    H    SER  34           H        SER  34   0.982   2.559  -9.179
   95    HA   SER  34           HA       SER  34   2.206   2.764 -11.673
   96   1HB   SER  34          1HB       SER  34   2.832   5.085 -10.711
   97   2HB   SER  34          2HB       SER  34   1.117   4.631 -10.772
   98    HG   SER  34           HG       SER  34   2.807   4.506  -8.506
   99    H    CYS  35           H        CYS  35   3.680   2.012  -8.532
  100    HA   CYS  35           HA       CYS  35   6.268   1.680  -9.996
  101   1HB   CYS  35          1HB       CYS  35   6.204   2.039  -6.997
  102   2HB   CYS  35          2HB       CYS  35   7.542   2.153  -8.117
  103    H    HIS  36           H        HIS  36   4.054   0.351  -7.476
  104    HA   HIS  36           HA       HIS  36   5.600  -2.045  -7.190
  105   1HB   HIS  36          1HB       HIS  36   2.799  -1.341  -6.260
  106   2HB   HIS  36          2HB       HIS  36   3.624  -2.851  -5.902
  107    HD1  HIS  36           1HD      HIS  36   5.773  -2.817  -4.279
  108    HD2  HIS  36           2HD      HIS  36   3.709   0.843  -4.785
  109    HE1  HIS  36           1HE      HIS  36   6.524  -1.271  -2.412
  110    H    GLY  37           H        GLY  37   3.532  -1.222  -9.774
  111   1HA   GLY  37          1HA       GLY  37   4.104  -2.548 -11.670
  112   2HA   GLY  37          2HA       GLY  37   3.782  -4.035 -10.773
  113    H    GLY  38           H        GLY  38   1.580  -4.549 -10.284
  114   1HA   GLY  38          1HA       GLY  38  -0.658  -3.083 -11.510
  115   2HA   GLY  38          2HA       GLY  38  -0.189  -4.570 -12.355
  116    H    ASP  39           H        ASP  39   0.248  -6.472 -10.755
  117    HA   ASP  39           HA       ASP  39  -1.998  -6.752  -8.888
  118   1HB   ASP  39          1HB       ASP  39   0.034  -8.624 -10.101
  119   2HB   ASP  39          2HB       ASP  39  -0.852  -9.085  -8.638
  120    H    LEU  40           H        LEU  40   0.760  -5.121  -8.496
  121    HA   LEU  40           HA       LEU  40   1.890  -4.347  -6.662
  122   1HB   LEU  40          1HB       LEU  40   0.217  -6.114  -4.878
  123   2HB   LEU  40          2HB       LEU  40   1.036  -4.623  -4.488
  124    HG   LEU  40           HG       LEU  40  -1.057  -4.398  -6.668
  125   1HD1  LEU  40          1HD1      LEU  40  -1.851  -4.766  -3.765
  126   2HD1  LEU  40          2HD1      LEU  40  -2.880  -4.403  -5.176
  127   3HD1  LEU  40          3HD1      LEU  40  -2.100  -5.977  -5.048
  128   1HD2  LEU  40          1HD2      LEU  40  -1.513  -2.352  -5.636
  129   2HD2  LEU  40          2HD2      LEU  40  -0.473  -2.763  -4.246
  130   3HD2  LEU  40          3HD2      LEU  40   0.253  -2.473  -5.841
  131    H    THR  41           H        THR  41   2.449  -6.881  -8.161
  132    HA   THR  41           HA       THR  41   3.706  -8.790  -6.465
  133    HB   THR  41           HB       THR  41   4.378  -9.485  -8.934
  134    HG1  THR  41           1HG      THR  41   2.897  -8.430 -10.414
  135   1HG2  THR  41          1HG2      THR  41   1.460  -9.226  -8.048
  136   2HG2  THR  41          2HG2      THR  41   2.045 -10.302  -9.333
  137   3HG2  THR  41          3HG2      THR  41   2.551 -10.564  -7.652
  138    H    GLY  42           H        GLY  42   4.702  -5.695  -7.746
  139   1HA   GLY  42          1HA       GLY  42   6.542  -4.676  -6.828
  140   2HA   GLY  42          2HA       GLY  42   7.380  -6.217  -6.591
  141    H    ALA  43           H        ALA  43   6.442  -3.791  -8.987
  142    HA   ALA  43           HA       ALA  43   8.211  -4.976 -11.054
  143   1HB   ALA  43          1HB       ALA  43   7.347  -3.155 -12.476
  144   2HB   ALA  43          2HB       ALA  43   6.066  -4.172 -11.790
  145   3HB   ALA  43          3HB       ALA  43   6.374  -2.559 -11.114
  146    H    SER  44           H        SER  44   7.836  -1.562  -9.999
  147    HA   SER  44           HA       SER  44  10.772  -1.183 -10.264
  148   1HB   SER  44          1HB       SER  44   9.093   0.316 -11.473
  149   2HB   SER  44          2HB       SER  44   8.633   0.931  -9.873
  150    HG   SER  44           HG       SER  44  10.943   1.339  -9.583
  151    H    ALA  45           H        ALA  45   8.820  -2.227  -7.884
  152    HA   ALA  45           HA       ALA  45  10.266  -1.048  -5.627
  153   1HB   ALA  45          1HB       ALA  45   8.293   0.446  -6.011
  154   2HB   ALA  45          2HB       ALA  45   7.234  -0.965  -6.022
  155   3HB   ALA  45          3HB       ALA  45   8.082  -0.513  -4.535
  156    HA   PRO  46           HA       PRO  46   9.813  -5.322  -4.575
  157   1HB   PRO  46          1HB       PRO  46   9.392  -5.408  -1.838
  158   2HB   PRO  46          2HB       PRO  46  10.954  -4.995  -2.603
  159   1HG   PRO  46          1HG       PRO  46   8.816  -3.096  -1.627
  160   2HG   PRO  46          2HG       PRO  46  10.567  -3.056  -1.259
  161   1HD   PRO  46          1HD       PRO  46   9.500  -1.502  -3.201
  162   2HD   PRO  46          2HD       PRO  46  11.069  -2.303  -3.487
  163    H    ALA  47           H        ALA  47   8.353  -6.997  -3.731
  164    HA   ALA  47           HA       ALA  47   5.691  -6.609  -4.679
  165   1HB   ALA  47          1HB       ALA  47   5.377  -8.933  -4.020
  166   2HB   ALA  47          2HB       ALA  47   6.996  -8.771  -4.733
  167   3HB   ALA  47          3HB       ALA  47   6.815  -8.883  -2.979
  168    H    ILE  48           H        ILE  48   4.007  -5.703  -3.594
  169    HA   ILE  48           HA       ILE  48   3.958  -6.012  -0.627
  170    HB   ILE  48           HB       ILE  48   2.751  -3.928  -0.354
  171   1HG1  ILE  48          1HG1      ILE  48   3.435  -2.180  -2.249
  172   2HG1  ILE  48          2HG1      ILE  48   3.250  -3.565  -3.315
  173   1HG2  ILE  48          1HG2      ILE  48   5.461  -3.643  -1.630
  174   2HG2  ILE  48          2HG2      ILE  48   4.673  -2.560  -0.453
  175   3HG2  ILE  48          3HG2      ILE  48   5.142  -4.190   0.045
  176   1HD1  ILE  48          1HD1      ILE  48   1.246  -2.410  -1.299
  177   2HD1  ILE  48          2HD1      ILE  48   1.216  -2.130  -3.040
  178   3HD1  ILE  48          3HD1      ILE  48   0.885  -3.769  -2.394
  179    H    ASP  49           H        ASP  49   2.479  -7.057  -3.436
  180    HA   ASP  49           HA       ASP  49  -0.115  -7.515  -2.526
  181   1HB   ASP  49          1HB       ASP  49  -0.028  -8.456  -4.524
  182   2HB   ASP  49          2HB       ASP  49   1.707  -8.742  -4.462
  183    H    LYS  50           H        LYS  50   2.862  -8.912  -1.238
  184    HA   LYS  50           HA       LYS  50   1.276 -10.518   0.730
  185   1HB   LYS  50          1HB       LYS  50   3.960 -10.934  -0.527
  186   2HB   LYS  50          2HB       LYS  50   3.824 -11.328   1.184
  187   1HG   LYS  50          1HG       LYS  50   3.307 -13.329  -0.009
  188   2HG   LYS  50          2HG       LYS  50   1.811 -12.732   0.728
  189   1HD   LYS  50          1HD       LYS  50   1.413 -11.523  -1.510
  190   2HD   LYS  50          2HD       LYS  50   2.717 -12.498  -2.179
  191   1HE   LYS  50          1HE       LYS  50   1.329 -14.509  -1.770
  192   2HE   LYS  50          2HE       LYS  50   0.114 -13.525  -0.917
  193   1HZ   LYS  50          1HZ       LYS  50   0.897 -12.821  -3.650
  194   2HZ   LYS  50          2HZ       LYS  50  -0.331 -13.943  -3.381
  195   3HZ   LYS  50          3HZ       LYS  50  -0.378 -12.356  -2.879
  196    H    ALA  51           H        ALA  51   2.275  -7.442   0.624
  197    HA   ALA  51           HA       ALA  51   3.889  -7.196   2.949
  198   1HB   ALA  51          1HB       ALA  51   3.070  -4.868   3.073
  199   2HB   ALA  51          2HB       ALA  51   3.703  -5.329   1.487
  200   3HB   ALA  51          3HB       ALA  51   1.948  -5.216   1.747
  201    H    GLY  52           H        GLY  52   0.210  -7.456   2.656
  202   1HA   GLY  52          1HA       GLY  52  -0.280  -7.017   5.375
  203   2HA   GLY  52          2HA       GLY  52  -1.212  -8.068   4.282
  204    H    ALA  53           H        ALA  53   1.252  -9.833   3.858
  205    HA   ALA  53           HA       ALA  53   0.790 -11.587   6.173
  206   1HB   ALA  53          1HB       ALA  53   2.109 -13.194   4.959
  207   2HB   ALA  53          2HB       ALA  53   0.944 -12.479   3.828
  208   3HB   ALA  53          3HB       ALA  53   2.646 -11.982   3.789
  209    H    ASN  54           H        ASN  54   3.458  -9.753   4.658
  210    HA   ASN  54           HA       ASN  54   5.423 -10.625   6.617
  211   1HB   ASN  54          1HB       ASN  54   5.465  -8.370   4.569
  212   2HB   ASN  54          2HB       ASN  54   6.851  -8.848   5.558
  213   1HD2  ASN  54          1HD2      ASN  54   6.705  -8.882   2.634
  214   2HD2  ASN  54          2HD2      ASN  54   6.983 -10.556   2.185
  215    H    TYR  55           H        TYR  55   3.511  -7.668   6.205
  216    HA   TYR  55           HA       TYR  55   4.519  -6.544   8.767
  217   1HB   TYR  55          1HB       TYR  55   3.813  -5.095   6.177
  218   2HB   TYR  55          2HB       TYR  55   4.327  -4.331   7.676
  219    HD1  TYR  55           1HD      TYR  55   5.500  -4.290   4.700
  220    HD2  TYR  55           2HD      TYR  55   6.674  -6.007   8.481
  221    HE1  TYR  55           1HE      TYR  55   7.892  -4.142   4.043
  222    HE2  TYR  55           2HE      TYR  55   9.029  -5.907   7.798
  223    HH   TYR  55           HH       TYR  55  10.527  -5.216   6.193
  224    H    SER  56           H        SER  56   3.011  -5.122   9.804
  225    HA   SER  56           HA       SER  56   0.243  -6.145   9.553
  226   1HB   SER  56          1HB       SER  56   1.679  -4.456  11.630
  227   2HB   SER  56          2HB       SER  56  -0.034  -4.925  11.741
  228    HG   SER  56           HG       SER  56   1.557  -6.341  12.785
  229    H    GLU  57           H        GLU  57  -1.578  -4.622   9.810
  230    HA   GLU  57           HA       GLU  57  -1.682  -2.863   7.653
  231   1HB   GLU  57          1HB       GLU  57  -3.877  -2.435   8.228
  232   2HB   GLU  57          2HB       GLU  57  -3.589  -4.033   8.867
  233   1HG   GLU  57          1HG       GLU  57  -4.770  -3.086  10.571
  234   2HG   GLU  57          2HG       GLU  57  -3.138  -2.774  11.158
  235    H    GLU  58           H        GLU  58  -1.196  -2.094  11.093
  236    HA   GLU  58           HA       GLU  58  -0.855   0.612  11.071
  237   1HB   GLU  58          1HB       GLU  58   0.734   0.218  12.999
  238   2HB   GLU  58          2HB       GLU  58  -0.839  -0.575  13.108
  239   1HG   GLU  58          1HG       GLU  58   0.214  -2.726  12.350
  240   2HG   GLU  58          2HG       GLU  58   1.798  -1.925  12.396
  241    H    GLU  59           H        GLU  59   1.761  -1.749  10.331
  242    HA   GLU  59           HA       GLU  59   3.823   0.169   9.895
  243   1HB   GLU  59          1HB       GLU  59   3.375  -2.649   8.824
  244   2HB   GLU  59          2HB       GLU  59   4.873  -1.755   8.589
  245   1HG   GLU  59          1HG       GLU  59   5.245  -1.637  11.008
  246   2HG   GLU  59          2HG       GLU  59   3.715  -2.475  11.310
  247    H    ILE  60           H        ILE  60   1.528  -1.426   7.697
  248    HA   ILE  60           HA       ILE  60   2.601  -0.338   5.260
  249    HB   ILE  60           HB       ILE  60  -0.159  -1.391   5.937
  250   1HG1  ILE  60          1HG1      ILE  60   2.088  -2.800   4.440
  251   2HG1  ILE  60          2HG1      ILE  60   1.892  -2.951   6.184
  252   1HG2  ILE  60          1HG2      ILE  60   1.050  -1.060   3.160
  253   2HG2  ILE  60          2HG2      ILE  60  -0.570  -1.657   3.562
  254   3HG2  ILE  60          3HG2      ILE  60  -0.163   0.026   3.861
  255   1HD1  ILE  60          1HD1      ILE  60   0.892  -4.846   5.134
  256   2HD1  ILE  60          2HD1      ILE  60  -0.376  -3.869   5.891
  257   3HD1  ILE  60          3HD1      ILE  60  -0.146  -3.830   4.126
  258    H    LEU  61           H        LEU  61  -0.168   0.583   7.307
  259    HA   LEU  61           HA       LEU  61  -1.091   2.849   6.023
  260   1HB   LEU  61          1HB       LEU  61  -2.059   1.693   8.020
  261   2HB   LEU  61          2HB       LEU  61  -0.818   2.346   9.040
  262    HG   LEU  61           HG       LEU  61  -1.615   4.560   8.879
  263   1HD1  LEU  61          1HD1      LEU  61  -3.616   5.157   7.446
  264   2HD1  LEU  61          2HD1      LEU  61  -2.141   4.800   6.541
  265   3HD1  LEU  61          3HD1      LEU  61  -3.434   3.584   6.648
  266   1HD2  LEU  61          1HD2      LEU  61  -4.027   2.701   9.031
  267   2HD2  LEU  61          2HD2      LEU  61  -2.898   3.044  10.358
  268   3HD2  LEU  61          3HD2      LEU  61  -3.920   4.341   9.706
  269    H    ASP  62           H        ASP  62   1.366   2.622   8.643
  270    HA   ASP  62           HA       ASP  62   1.944   5.399   8.688
  271   1HB   ASP  62          1HB       ASP  62   2.586   3.784  10.474
  272   2HB   ASP  62          2HB       ASP  62   3.836   3.125   9.403
  273    H    ILE  63           H        ILE  63   3.398   2.700   6.839
  274    HA   ILE  63           HA       ILE  63   5.461   4.285   5.626
  275    HB   ILE  63           HB       ILE  63   4.200   1.591   5.121
  276   1HG1  ILE  63          1HG1      ILE  63   7.107   2.455   5.424
  277   2HG1  ILE  63          2HG1      ILE  63   6.043   2.103   6.794
  278   1HG2  ILE  63          1HG2      ILE  63   5.729   1.230   3.177
  279   2HG2  ILE  63          2HG2      ILE  63   4.348   2.265   2.867
  280   3HG2  ILE  63          3HG2      ILE  63   5.971   2.980   3.093
  281   1HD1  ILE  63          1HD1      ILE  63   6.907   0.121   4.651
  282   2HD1  ILE  63          2HD1      ILE  63   7.352   0.145   6.359
  283   3HD1  ILE  63          3HD1      ILE  63   5.676  -0.205   5.895
  284    H    ILE  64           H        ILE  64   2.075   3.688   4.588
  285    HA   ILE  64           HA       ILE  64   2.332   5.087   2.075
  286    HB   ILE  64           HB       ILE  64  -0.024   4.676   3.955
  287   1HG1  ILE  64          1HG1      ILE  64   0.664   3.328   1.312
  288   2HG1  ILE  64          2HG1      ILE  64   1.071   2.653   2.887
  289   1HG2  ILE  64          1HG2      ILE  64  -0.548   6.629   2.636
  290   2HG2  ILE  64          2HG2      ILE  64   0.031   5.852   1.154
  291   3HG2  ILE  64          3HG2      ILE  64  -1.438   5.274   1.969
  292   1HD1  ILE  64          1HD1      ILE  64  -1.683   3.094   1.738
  293   2HD1  ILE  64          2HD1      ILE  64  -0.959   1.611   2.379
  294   3HD1  ILE  64          3HD1      ILE  64  -1.436   2.893   3.492
  295    H    LEU  65           H        LEU  65   1.307   6.127   5.331
  296    HA   LEU  65           HA       LEU  65   0.801   8.840   4.605
  297   1HB   LEU  65          1HB       LEU  65   1.437   7.533   7.263
  298   2HB   LEU  65          2HB       LEU  65   0.835   9.182   7.093
  299    HG   LEU  65           HG       LEU  65  -0.806   6.794   6.037
  300   1HD1  LEU  65          1HD1      LEU  65  -0.860   8.158   8.779
  301   2HD1  LEU  65          2HD1      LEU  65  -2.014   6.941   8.197
  302   3HD1  LEU  65          3HD1      LEU  65  -0.320   6.496   8.475
  303   1HD2  LEU  65          1HD2      LEU  65  -1.521   9.626   6.773
  304   2HD2  LEU  65          2HD2      LEU  65  -1.435   8.883   5.147
  305   3HD2  LEU  65          3HD2      LEU  65  -2.648   8.334   6.318
  306    H    ASN  66           H        ASN  66   3.732   7.203   5.657
  307    HA   ASN  66           HA       ASN  66   5.229   9.709   6.139
  308   1HB   ASN  66          1HB       ASN  66   5.766   6.759   6.681
  309   2HB   ASN  66          2HB       ASN  66   7.000   7.963   6.853
  310   1HD2  ASN  66          1HD2      ASN  66   3.716   7.225   7.899
  311   2HD2  ASN  66          2HD2      ASN  66   4.000   7.544   9.575
  312    H    GLY  67           H        GLY  67   5.385   6.807   4.052
  313   1HA   GLY  67          1HA       GLY  67   6.399   6.679   1.930
  314   2HA   GLY  67          2HA       GLY  67   7.430   8.063   2.299
  315    H    GLN  68           H        GLN  68   7.322   4.673   2.172
  316    HA   GLN  68           HA       GLN  68   9.502   3.975   3.932
  317   1HB   GLN  68          1HB       GLN  68   8.275   2.095   2.770
  318   2HB   GLN  68          2HB       GLN  68   8.527   2.920   1.245
  319   1HG   GLN  68          1HG       GLN  68   9.822   0.959   1.571
  320   2HG   GLN  68          2HG       GLN  68  10.864   2.350   1.226
  321   1HE2  GLN  68          1HE2      GLN  68  10.920  -0.501   2.720
  322   2HE2  GLN  68          2HE2      GLN  68  11.880  -0.077   4.126
  323    H    GLY  69           H        GLY  69  11.778   4.115   3.420
  324   1HA   GLY  69          1HA       GLY  69  13.129   6.172   2.878
  325   2HA   GLY  69          2HA       GLY  69  13.657   4.705   2.058
  326    H    GLY  70           H        GLY  70  12.750   4.400  -0.242
  327   1HA   GLY  70          1HA       GLY  70  13.339   6.856  -1.732
  328   2HA   GLY  70          2HA       GLY  70  13.127   5.220  -2.364
  329    H    MET  71           H        MET  71  10.463   5.453  -0.601
  330    HA   MET  71           HA       MET  71   8.774   5.959  -2.944
  331   1HB   MET  71          1HB       MET  71   8.545   3.902  -1.733
  332   2HB   MET  71          2HB       MET  71   8.447   4.730  -0.198
  333   1HG   MET  71          1HG       MET  71   6.341   5.645  -0.615
  334   2HG   MET  71          2HG       MET  71   6.236   4.936  -2.226
  335   1HE   MET  71          1HE       MET  71   4.741   4.728   0.993
  336   2HE   MET  71          2HE       MET  71   3.910   4.379  -0.531
  337   3HE   MET  71          3HE       MET  71   3.968   3.152   0.748
  338    HA   PRO  72           HA       PRO  72   7.779   9.963  -1.137
  339   1HB   PRO  72          1HB       PRO  72   5.396  10.521  -2.493
  340   2HB   PRO  72          2HB       PRO  72   7.047  10.801  -3.108
  341   1HG   PRO  72          1HG       PRO  72   5.184   8.545  -3.751
  342   2HG   PRO  72          2HG       PRO  72   6.350   9.362  -4.813
  343   1HD   PRO  72          1HD       PRO  72   6.794   6.906  -3.617
  344   2HD   PRO  72          2HD       PRO  72   8.117   8.035  -4.053
  345    H    GLY  73           H        GLY  73   6.083  10.957   0.262
  346   1HA   GLY  73          1HA       GLY  73   4.630   8.882   1.826
  347   2HA   GLY  73          2HA       GLY  73   5.453  10.322   2.465
  348    H    GLY  74           H        GLY  74   2.611   9.401   2.461
  349   1HA   GLY  74          1HA       GLY  74   0.584  10.541   2.630
  350   2HA   GLY  74          2HA       GLY  74   1.388  12.045   2.143
  351    H    ILE  75           H        ILE  75   1.731   9.130   0.246
  352    HA   ILE  75           HA       ILE  75   0.701  10.123  -2.208
  353    HB   ILE  75           HB       ILE  75   1.002   7.298  -1.104
  354   1HG1  ILE  75          1HG1      ILE  75   2.827   8.915  -2.943
  355   2HG1  ILE  75          2HG1      ILE  75   3.110   8.614  -1.223
  356   1HG2  ILE  75          1HG2      ILE  75   0.953   6.562  -3.492
  357   2HG2  ILE  75          2HG2      ILE  75  -0.569   7.233  -2.963
  358   3HG2  ILE  75          3HG2      ILE  75   0.526   8.212  -3.973
  359   1HD1  ILE  75          1HD1      ILE  75   2.985   6.112  -1.757
  360   2HD1  ILE  75          2HD1      ILE  75   3.132   6.596  -3.462
  361   3HD1  ILE  75          3HD1      ILE  75   4.420   6.972  -2.332
  362    H    ALA  76           H        ALA  76  -0.781   8.554   0.584
  363    HA   ALA  76           HA       ALA  76  -3.439   9.363  -0.294
  364   1HB   ALA  76          1HB       ALA  76  -3.496   7.039  -0.985
  365   2HB   ALA  76          2HB       ALA  76  -2.585   6.519   0.445
  366   3HB   ALA  76          3HB       ALA  76  -4.247   7.071   0.629
  367    H    LYS  77           H        LYS  77  -4.745   9.812   1.679
  368    HA   LYS  77           HA       LYS  77  -3.430   9.342   4.258
  369   1HB   LYS  77          1HB       LYS  77  -4.160  12.092   3.149
  370   2HB   LYS  77          2HB       LYS  77  -3.942  11.732   4.859
  371   1HG   LYS  77          1HG       LYS  77  -1.607  10.838   4.245
  372   2HG   LYS  77          2HG       LYS  77  -1.857  11.532   2.655
  373   1HD   LYS  77          1HD       LYS  77  -1.290  13.568   3.333
  374   2HD   LYS  77          2HD       LYS  77  -2.418  13.564   4.682
  375   1HE   LYS  77          1HE       LYS  77   0.323  12.175   4.745
  376   2HE   LYS  77          2HE       LYS  77   0.076  13.849   5.249
  377   1HZ   LYS  77          1HZ       LYS  77  -1.380  13.127   6.959
  378   2HZ   LYS  77          2HZ       LYS  77  -1.308  11.562   6.464
  379   3HZ   LYS  77          3HZ       LYS  77   0.029  12.290   7.083
  380    H    GLY  78           H        GLY  78  -4.818   9.785   6.092
  381   1HA   GLY  78          1HA       GLY  78  -6.731   9.336   7.256
  382   2HA   GLY  78          2HA       GLY  78  -7.572  10.264   5.997
  383    H    ALA  79           H        ALA  79  -9.340   9.008   5.659
  384    HA   ALA  79           HA       ALA  79  -9.739   6.315   5.678
  385   1HB   ALA  79          1HB       ALA  79 -10.920   8.277   3.670
  386   2HB   ALA  79          2HB       ALA  79 -11.577   6.682   4.096
  387   3HB   ALA  79          3HB       ALA  79 -11.522   7.967   5.318
  388    H    GLU  80           H        GLU  80  -8.090   8.148   3.083
  389    HA   GLU  80           HA       GLU  80  -8.229   6.063   1.125
  390   1HB   GLU  80          1HB       GLU  80  -7.743   8.603   0.859
  391   2HB   GLU  80          2HB       GLU  80  -6.097   8.200   1.332
  392   1HG   GLU  80          1HG       GLU  80  -6.035   6.591  -0.636
  393   2HG   GLU  80          2HG       GLU  80  -7.633   7.178  -1.092
  394    H    ALA  81           H        ALA  81  -5.597   7.026   3.496
  395    HA   ALA  81           HA       ALA  81  -3.912   4.848   2.653
  396   1HB   ALA  81          1HB       ALA  81  -3.820   6.514   5.194
  397   2HB   ALA  81          2HB       ALA  81  -2.512   5.530   4.482
  398   3HB   ALA  81          3HB       ALA  81  -3.083   6.972   3.641
  399    H    GLU  82           H        GLU  82  -6.241   5.404   5.343
  400    HA   GLU  82           HA       GLU  82  -5.796   2.994   6.775
  401   1HB   GLU  82          1HB       GLU  82  -8.259   4.727   6.370
  402   2HB   GLU  82          2HB       GLU  82  -8.226   3.347   7.468
  403   1HG   GLU  82          1HG       GLU  82  -6.501   4.330   8.823
  404   2HG   GLU  82          2HG       GLU  82  -6.258   5.663   7.678
  405    H    ALA  83           H        ALA  83  -8.083   3.698   4.088
  406    HA   ALA  83           HA       ALA  83  -9.270   1.167   3.860
  407   1HB   ALA  83          1HB       ALA  83 -10.066   3.114   2.607
  408   2HB   ALA  83          2HB       ALA  83  -8.567   3.154   1.650
  409   3HB   ALA  83          3HB       ALA  83  -9.695   1.801   1.500
  410    H    VAL  84           H        VAL  84  -6.235   2.424   2.307
  411    HA   VAL  84           HA       VAL  84  -5.574  -0.061   1.130
  412    HB   VAL  84           HB       VAL  84  -3.533   1.904   2.242
  413   1HG1  VAL  84          1HG1      VAL  84  -3.508  -0.596   0.591
  414   2HG1  VAL  84          2HG1      VAL  84  -2.317   0.636   0.213
  415   3HG1  VAL  84          3HG1      VAL  84  -2.371  -0.079   1.828
  416   1HG2  VAL  84          1HG2      VAL  84  -4.677   3.219   0.691
  417   2HG2  VAL  84          2HG2      VAL  84  -3.360   2.534  -0.253
  418   3HG2  VAL  84          3HG2      VAL  84  -5.011   1.856  -0.390
  419    H    ALA  85           H        ALA  85  -4.509   1.232   4.349
  420    HA   ALA  85           HA       ALA  85  -2.868  -0.836   5.157
  421   1HB   ALA  85          1HB       ALA  85  -3.363  -0.148   7.425
  422   2HB   ALA  85          2HB       ALA  85  -3.366   1.281   6.359
  423   3HB   ALA  85          3HB       ALA  85  -4.892   0.598   6.946
  424    H    ALA  86           H        ALA  86  -6.399  -0.638   5.791
  425    HA   ALA  86           HA       ALA  86  -6.668  -3.215   6.933
  426   1HB   ALA  86          1HB       ALA  86  -8.717  -1.546   5.413
  427   2HB   ALA  86          2HB       ALA  86  -9.077  -2.924   6.479
  428   3HB   ALA  86          3HB       ALA  86  -8.350  -1.449   7.150
  429    H    TRP  87           H        TRP  87  -7.284  -2.176   3.515
  430    HA   TRP  87           HA       TRP  87  -8.082  -4.765   2.621
  431   1HB   TRP  87          1HB       TRP  87  -8.686  -2.807   1.435
  432   2HB   TRP  87          2HB       TRP  87  -6.987  -2.324   1.248
  433    HD1  TRP  87           HD       TRP  87  -9.579  -4.623  -0.380
  434    HE1  TRP  87           1HE      TRP  87  -8.629  -5.582  -2.527
  435    HE3  TRP  87           3HE      TRP  87  -4.882  -2.553  -0.190
  436    HZ2  TRP  87           2HZ      TRP  87  -5.061  -5.414  -2.870
  437    HZ3  TRP  87           3HZ      TRP  87  -3.498  -2.692  -2.300
  438    HH2  TRP  87           HH       TRP  87  -4.631  -3.468  -4.376
  439    H    LEU  88           H        LEU  88  -4.931  -3.095   2.214
  440    HA   LEU  88           HA       LEU  88  -3.643  -5.221   0.952
  441   1HB   LEU  88          1HB       LEU  88  -2.911  -2.639   1.681
  442   2HB   LEU  88          2HB       LEU  88  -1.845  -3.616   2.650
  443    HG   LEU  88           HG       LEU  88  -1.934  -4.641  -0.153
  444   1HD1  LEU  88          1HD1      LEU  88  -1.073  -2.850  -1.305
  445   2HD1  LEU  88          2HD1      LEU  88  -2.504  -2.203  -0.496
  446   3HD1  LEU  88          3HD1      LEU  88  -0.902  -1.827   0.151
  447   1HD2  LEU  88          1HD2      LEU  88  -0.286  -5.241   1.341
  448   2HD2  LEU  88          2HD2      LEU  88   0.293  -4.355  -0.097
  449   3HD2  LEU  88          3HD2      LEU  88   0.272  -3.525   1.491
  450    H    ALA  89           H        ALA  89  -3.965  -4.435   4.464
  451    HA   ALA  89           HA       ALA  89  -2.473  -6.624   5.449
  452   1HB   ALA  89          1HB       ALA  89  -3.803  -6.430   7.474
  453   2HB   ALA  89          2HB       ALA  89  -3.196  -4.876   6.872
  454   3HB   ALA  89          3HB       ALA  89  -4.911  -5.308   6.659
  455    H    GLU  90           H        GLU  90  -5.989  -6.473   4.528
  456    HA   GLU  90           HA       GLU  90  -6.318  -9.268   5.178
  457   1HB   GLU  90          1HB       GLU  90  -8.523  -8.956   4.922
  458   2HB   GLU  90          2HB       GLU  90  -8.002  -7.298   5.212
  459   1HG   GLU  90          1HG       GLU  90  -9.447  -6.993   3.452
  460   2HG   GLU  90          2HG       GLU  90  -7.942  -7.188   2.554
  461    H    LYS  91           H        LYS  91  -4.794  -7.829   2.535
  462    HA   LYS  91           HA       LYS  91  -5.639  -9.528   0.402
  463   1HB   LYS  91          1HB       LYS  91  -4.219  -7.244   0.730
  464   2HB   LYS  91          2HB       LYS  91  -2.868  -8.312   0.433
  465   1HG   LYS  91          1HG       LYS  91  -5.279  -8.163  -1.448
  466   2HG   LYS  91          2HG       LYS  91  -4.157  -6.812  -1.336
  467   1HD   LYS  91          1HD       LYS  91  -3.464  -8.136  -3.176
  468   2HD   LYS  91          2HD       LYS  91  -2.240  -8.217  -1.904
  469   1HE   LYS  91          1HE       LYS  91  -2.569 -10.417  -1.462
  470   2HE   LYS  91          2HE       LYS  91  -4.331 -10.333  -1.746
  471   1HZ   LYS  91          1HZ       LYS  91  -3.400 -11.627  -3.423
  472   2HZ   LYS  91          2HZ       LYS  91  -3.806 -10.198  -4.146
  473   3HZ   LYS  91          3HZ       LYS  91  -2.226 -10.526  -3.745
  474    H    LYS  92           H        LYS  92  -3.727 -10.080   3.173
  475    HA   LYS  92           HA       LYS  92  -1.539 -11.484   2.202
  476   1HB   LYS  92          1HB       LYS  92  -1.190 -11.957   4.546
  477   2HB   LYS  92          2HB       LYS  92  -1.822 -10.318   4.262
  478   1HG   LYS  92          1HG       LYS  92  -4.146 -11.232   4.833
  479   2HG   LYS  92          2HG       LYS  92  -3.386 -12.739   5.309
  480   1HD   LYS  92          1HD       LYS  92  -2.347 -11.784   7.191
  481   2HD   LYS  92          2HD       LYS  92  -2.485 -10.134   6.565
  482   1HE   LYS  92          1HE       LYS  92  -4.924 -10.139   6.807
  483   2HE   LYS  92          2HE       LYS  92  -4.914 -11.832   7.309
  484   1HZ   LYS  92          1HZ       LYS  92  -3.718 -11.185   9.273
  485   2HZ   LYS  92          2HZ       LYS  92  -3.636  -9.616   8.775
  486   3HZ   LYS  92          3HZ       LYS  92  -5.093 -10.287   9.149
  487    HHA  HEC  93           HHA      HEC  93   8.798  -0.357   0.195
  488    HHB  HEC  93           HHB      HEC  93   2.379  -0.045   0.756
  489    HHC  HEC  93           HHC      HEC  93   2.453   4.365  -3.960
  490    HHD  HEC  93           HHD      HEC  93   8.576   3.067  -5.130
  491   1HMA  HEC  93          1HMA      HEC  93   4.814  -1.466   3.465
  492   2HMA  HEC  93          2HMA      HEC  93   3.336  -0.788   2.791
  493   3HMA  HEC  93          3HMA      HEC  93   3.916  -2.377   2.232
  494   1HAA  HEC  93          1HAA      HEC  93   7.012  -1.891   3.060
  495   2HAA  HEC  93          2HAA      HEC  93   8.161  -0.726   2.482
  496   1HBA  HEC  93          1HBA      HEC  93   7.913  -2.353   0.317
  497   2HBA  HEC  93          2HBA      HEC  93   7.571  -3.528   1.580
  498   1HMB  HEC  93          1HMB      HEC  93  -0.706   1.523  -0.823
  499   2HMB  HEC  93          2HMB      HEC  93   0.176  -0.002  -0.822
  500   3HMB  HEC  93          3HMB      HEC  93   0.258   1.054   0.601
  501    HAB  HEC  93           HAB      HEC  93   0.578   4.344  -3.151
  502   1HBB  HEC  93          1HBB      HEC  93   0.102   5.055  -0.944
  503   2HBB  HEC  93          2HBB      HEC  93  -1.404   4.792  -1.836
  504   3HBB  HEC  93          3HBB      HEC  93  -0.891   3.635  -0.605
  505   1HMC  HEC  93          1HMC      HEC  93   3.268   5.962  -5.559
  506   2HMC  HEC  93          2HMC      HEC  93   4.311   5.710  -6.954
  507   3HMC  HEC  93          3HMC      HEC  93   3.113   4.489  -6.519
  508    HAC  HEC  93           HAC      HEC  93   7.946   4.327  -6.655
  509   1HBC  HEC  93          1HBC      HEC  93   7.590   6.575  -7.596
  510   2HBC  HEC  93          2HBC      HEC  93   6.188   6.786  -6.526
  511   3HBC  HEC  93          3HBC      HEC  93   7.800   6.525  -5.842
  512   1HMD  HEC  93          1HMD      HEC  93  10.202   1.667  -5.279
  513   2HMD  HEC  93          2HMD      HEC  93  11.351   2.392  -4.122
  514   3HMD  HEC  93          3HMD      HEC  93  11.231   0.625  -4.324
  515   1HAD  HEC  93          1HAD      HEC  93  11.012  -0.740  -1.366
  516   2HAD  HEC  93          2HAD      HEC  93  10.748   0.458  -0.198
  517   1HBD  HEC  93          1HBD      HEC  93  12.859   0.933  -0.521
  518   2HBD  HEC  93          2HBD      HEC  93  12.052   2.169  -1.461